| 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 | 92.9 | Very high | 95.2 | Very high | 68 Ų | 68 | 73.1 Ų | 73.1 | 34% | 0.335 | 34% | 0.343 | S | S | . | . | 0 | 134.1 | 0 | 71.7 | 173.4 | -121 | 0 | 0 | 106.8 | L3 E14 V15 V59 E60 A61 | M1-L3 HydrophobicContact CE-CD1 4.05Å; M1-L3 HydrophobicContact CE-CD2 3.48Å; M1-L3 VanDerWaalsContact CE-CD2 3.48Å; M1-L3 HydrophobicContact CE-CG 3.82Å; M1-E14 PolarHBondContact N-OE2 3.01Å; M1-V15 HydrophobicContact CE-CG2 4.19Å; M1-V15 HydrophobicContact CG-CG2 3.64Å; M1-V15 WeakPolarHBondContact CG-O 3.4Å; M1-V15 PolarHBondContact N-O 3.22Å; M1-V15 WeakPolarHBondContact O-CG2 3.27Å; M1-V15 PolarHBondContact O-N 3.11Å; M1-V15 VanDerWaalsContact O-O 3.12Å; M1-V59 HydrophobicContact CE-CG1 4.03Å; M1-E60 VanDerWaalsContact CE-O 3.27Å; M1-E60 WeakPolarHBondContact CE-O 3.4Å; M1-A61 HydrophobicContact CB-CB 4.16Å | |||
| 2 | Q | 94.5 | Very high | 95.3 | Very high | 69 Ų | 69 | 74.2 Ų | 74.2 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 140.6 | -177.7 | -165.6 | 175.9 | 10.7 | 0 | 0 | 110.2 | L13 E14 L62 | Q2-L13 CarbonylContact C-O 3.58Å; Q2-L13 WeakPolarHBondContact CA-O 3.45Å; Q2-E14 WeakPolarHBondContact CB-OE1 3.24Å; Q2-L62 HydrophobicContact CB-CD2 4.28Å; Q2-L62 PolarHBondContact O-N 3.33Å |
| 3 | L | 96.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 153 | 172.7 | -69.7 | -178.7 | 0 | 0 | 0 | 110.9 | M1 T12 L13 V15 L54 V59 E60 L65 | M1-L3 HydrophobicContact CE-CD1 4.05Å; M1-L3 HydrophobicContact CE-CD2 3.48Å; M1-L3 VanDerWaalsContact CE-CD2 3.48Å; M1-L3 HydrophobicContact CE-CG 3.82Å; L3-T12 CarbonylContact O-C 3.53Å; L3-T12 WeakPolarHBondContact O-CA 3.38Å; L3-L13 PolarHBondContact N-O 3.36Å; L3-L13 PolarHBondContact O-N 3.49Å; L3-V15 HydrophobicContact CD1-CG1 4.49Å; L3-V15 HydrophobicContact CD1-CG2 3.58Å; L3-V15 HydrophobicContact CG-CG2 3.84Å; L3-L54 HydrophobicContact CD1-CD1 3.87Å; L3-V59 HydrophobicContact CD1-CG1 3.77Å; L3-V59 HydrophobicContact CD2-CG1 3.59Å; L3-V59 HydrophobicContact CG-CG1 4.35Å; L3-E60 WeakPolarHBondContact CD2-O 3.48Å; L3-L65 HydrophobicContact CD1-CD1 4.28Å |
| 4 | F | 97.4 | Very high | 95.3 | Very high | 60 Ų | 60 | 75 Ų | 75 | 26% | 0.263 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 131.7 | 166.9 | -59.3 | -74.2 | 0 | 0 | 0 | 109 | L10 H11 T12 L62 T63 T64 L65 | F4-L10 HydrophobicContact CB-CD1 4.18Å; F4-H11 CarbonylContact C-O 3.57Å; F4-H11 WeakPolarHBondContact CA-O 3.25Å; F4-T12 HydrophobicContact CD1-CG2 3.66Å; F4-T12 HydrophobicContact CE1-CG2 3.59Å; F4-L62 WeakPolarHBondContact CD2-O 3.49Å; F4-L62 HydrophobicContact CE2-CB 4.15Å; F4-L62 HydrophobicContact CE2-CD2 4.07Å; F4-L62 HydrophobicContact CZ-CD2 4.38Å; F4-T63 PolarHBondContact N-O 3.31Å; F4-T64 HydrophobicContact CB-CG2 4.21Å; F4-T64 CarbonylContact O-C 3.59Å; F4-T64 VanDerWaalsContact O-CA 3.26Å; F4-T64 WeakPolarHBondContact O-CA 3.33Å; F4-L65 PolarHBondContact O-N 3.42Å |
| 5 | V | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 114.2 | 175.4 | -176 | 0 | 0 | 0 | 0 | 107.8 | H11 L13 V28 L65 V67 | V5-H11 PolarHBondContact N-O 3.38Å; V5-H11 PolarHBondContact O-N 3.23Å; V5-L13 HydrophobicContact CG2-CD1 3.61Å; V5-L13 HydrophobicContact CG2-CG 4.01Å; V5-V28 HydrophobicContact CG1-CG2 3.72Å; V5-L65 WeakPolarHBondContact CA-O 3.09Å; V5-V67 HydrophobicContact CG1-CG2 3.58Å |
| 6 | R | 96.8 | Very high | 95.1 | Very high | 154 Ų | 154 | 73 Ų | 73 | 58% | 0.581 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 106.2 | 178.6 | -177 | -176.9 | -176.5 | 176.4 | 3.1 | 109 | L10 T64 L65 E66 V67 | R6-L10 HydrophobicContact CB-CD1 4.26Å; R6-T64 HydrophobicContact CB-CG2 4.05Å; R6-L65 PolarHBondContact N-O 3.38Å; R6-E66 CarbonylContact O-C 3.55Å; R6-E66 WeakPolarHBondContact O-CA 3.22Å; R6-V67 PolarHBondContact O-N 3.38Å |
| 7 | A | 93.3 | Very high | 94.7 | Very high | 24 Ų | 24 | 69.1 Ų | 69.1 | 20% | 0.198 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -124.3 | -124.6 | 177 | 0 | 0 | 0 | 0 | 0 | 109.1 | E9 V28 E32 V67 | A7-E9 VanDerWaalsContact C-N 3.34Å; A7-E9 PolarHBondContact N-O 3.36Å; A7-V28 HydrophobicContact CB-CG1 4.23Å; A7-E32 WeakPolarHBondContact CB-OE1 3.47Å; A7-E32 WeakPolarHBondContact CB-OE2 3.43Å; A7-V67 HydrophobicContact CB-CB 3.88Å |
| 8 | Q | 92.1 | Very high | 94.6 | Very high | 137 Ų | 137 | 73.2 Ų | 73.2 | 64% | 0.64 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -64.6 | -42.2 | 167 | -66.3 | 177 | 61.5 | 0 | 0 | 111.1 | E32 I34 | Q8-E32 WeakPolarHBondContact CA-OE1 3.41Å; Q8-E32 WeakPolarHBondContact CB-OE1 3.48Å; Q8-E32 WeakPolarHBondContact CB-OE2 3.42Å; Q8-E32 WeakPolarHBondContact CG-OE2 3.48Å; Q8-E32 VanDerWaalsContact N-CD 3.26Å; Q8-E32 PolarHBondContact N-OE1 2.68Å; Q8-E32 PolarHBondContact N-OE2 2.75Å; Q8-E32 PolarHBondContact NE2-O 3Å; Q8-I34 HydrophobicContact CG-CD1 4.46Å |
| 9 | E | 94.5 | Very high | 94.6 | Very high | 140 Ų | 140 | 71 Ų | 71 | 65% | 0.654 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -117.9 | 171.8 | 171.7 | -65 | -167.2 | 163.8 | 0 | 0 | 110.9 | A7 E32 | A7-E9 VanDerWaalsContact C-N 3.34Å; A7-E9 PolarHBondContact N-O 3.36Å; E9-E32 PolarHBondContact N-OE1 2.87Å |
| 10 | L | 96.3 | Very high | 94.7 | Very high | 117 Ų | 117 | 69.1 Ų | 69.1 | 61% | 0.613 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 119.5 | 174.1 | -177.6 | 67.1 | 0 | 0 | 0 | 109.1 | F4 R6 | F4-L10 HydrophobicContact CB-CD1 4.18Å; R6-L10 HydrophobicContact CB-CD1 4.26Å |
| 11 | H | 96.6 | Very high | 94.8 | Very high | 33 Ų | 33 | 65.8 Ų | 65.8 | 15% | 0.153 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 151.1 | 177.4 | -58.3 | -58.9 | 0 | 0 | 0 | 111.6 | F4 V5 L31 E32 | F4-H11 CarbonylContact C-O 3.57Å; F4-H11 WeakPolarHBondContact CA-O 3.25Å; V5-H11 PolarHBondContact N-O 3.38Å; V5-H11 PolarHBondContact O-N 3.23Å; H11-L31 HydrophobicContact CB-CD1 4.25Å; H11-E32 IonicContact CD2-OE1 3.78Å; H11-E32 IonicContact NE2-OE1 3.27Å; H11-E32 PolarHBondContact NE2-OE1 2.83Å |
| 12 | T | 96.8 | Very high | 95 | Very high | 86 Ų | 86 | 64.5 Ų | 64.5 | 53% | 0.528 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.5 | 169.6 | 48.2 | 0 | 0 | 0 | 0 | 109.8 | L3 F4 | L3-T12 CarbonylContact O-C 3.53Å; L3-T12 WeakPolarHBondContact O-CA 3.38Å; F4-T12 HydrophobicContact CD1-CG2 3.66Å; F4-T12 HydrophobicContact CE1-CG2 3.59Å |
| 13 | L | 95.3 | Very high | 95.1 | Very high | 20 Ų | 20 | 65.7 Ų | 65.7 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.3 | 177.5 | -61.6 | -176.2 | 0 | 0 | 0 | 110.6 | Q2 L3 V5 V15 I24 H27 L31 | Q2-L13 CarbonylContact C-O 3.58Å; Q2-L13 WeakPolarHBondContact CA-O 3.45Å; L3-L13 PolarHBondContact N-O 3.36Å; L3-L13 PolarHBondContact O-N 3.49Å; V5-L13 HydrophobicContact CG2-CD1 3.61Å; V5-L13 HydrophobicContact CG2-CG 4.01Å; L13-V15 HydrophobicContact CB-CG1 4.08Å; L13-I24 HydrophobicContact CD1-CD1 4.32Å; L13-H27 HydrophobicContact CD1-CB 4.41Å; L13-L31 HydrophobicContact CD2-CD1 4.33Å |
| 14 | E | 95.3 | Very high | 95.1 | Very high | 140 Ų | 140 | 65.7 Ų | 65.7 | 65% | 0.654 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 119.9 | 165.6 | -79.5 | -64.8 | 163.5 | 0 | 0 | 109.2 | M1 Q2 | M1-E14 PolarHBondContact N-OE2 3.01Å; Q2-E14 WeakPolarHBondContact CB-OE1 3.24Å |
| 15 | V | 94.1 | Very high | 95 | Very high | 12 Ų | 12 | 63.5 Ų | 63.5 | 7% | 0.073 | 32% | 0.323 | C | S | . | . | trans | -132.6 | 156.8 | -175.5 | -57.6 | 0 | 0 | 0 | 0 | 110.8 | M1 L3 L13 E19 I24 L54 | M1-V15 HydrophobicContact CE-CG2 4.19Å; M1-V15 HydrophobicContact CG-CG2 3.64Å; M1-V15 WeakPolarHBondContact CG-O 3.4Å; M1-V15 PolarHBondContact N-O 3.22Å; M1-V15 WeakPolarHBondContact O-CG2 3.27Å; M1-V15 PolarHBondContact O-N 3.11Å; M1-V15 VanDerWaalsContact O-O 3.12Å; L3-V15 HydrophobicContact CD1-CG1 4.49Å; L3-V15 HydrophobicContact CD1-CG2 3.58Å; L3-V15 HydrophobicContact CG-CG2 3.84Å; L13-V15 HydrophobicContact CB-CG1 4.08Å; V15-E19 WeakPolarHBondContact CB-OE2 3.14Å; V15-I24 HydrophobicContact CG1-CD1 4.01Å; V15-L54 HydrophobicContact CB-CD1 4.23Å; V15-L54 HydrophobicContact CG1-CD1 4.46Å; V15-L54 HydrophobicContact CG2-CD1 3.89Å | ||
| 16 | T | 92.4 | Very high | 95 | Very high | 106 Ų | 106 | 65.9 Ų | 65.9 | 65% | 0.65 | 34% | 0.342 | S | S | * | . | trans | -84.7 | -15.7 | 176.6 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | Q18 E19 | T16-Q18 VanDerWaalsContact C-N 3.27Å; T16-Q18 PolarHBondContact OG1-N 3.45Å; T16-E19 WeakPolarHBondContact CB-OE1 3.37Å; T16-E19 PolarHBondContact N-OE1 2.64Å; T16-E19 PolarHBondContact N-OE2 3.24Å; T16-E19 PolarHBondContact OG1-OE1 3.25Å; T16-E19 PolarHBondContact OG1-OE2 2.76Å | ||
| 17 | G | 88.4 | Confident | 94.9 | Very high | 6 Ų | 6 | 63.4 Ų | 63.4 | 6% | 0.062 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 86.4 | -5.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E19 G55 | G17-E19 PolarHBondContact N-OE2 2.82Å; G17-G55 PolarHBondContact O-N 2.87Å |
| 18 | Q | 92.9 | Very high | 95 | Very high | 143 Ų | 143 | 62.3 Ų | 62.3 | 67% | 0.668 | 33% | 0.328 | S | S | * | . | trans | -95.5 | -7.4 | 174.6 | -62.9 | -61.6 | -40.7 | 0 | 0 | 112.2 | T16 | T16-Q18 VanDerWaalsContact C-N 3.27Å; T16-Q18 PolarHBondContact OG1-N 3.45Å | ||
| 19 | E | 94.9 | Very high | 95.1 | Very high | 32 Ų | 32 | 56.7 Ų | 56.7 | 15% | 0.15 | 31% | 0.305 | C | S | . | . | trans | -61.8 | 146 | 176.8 | -64.2 | 76.3 | -169.7 | 0 | 0 | 110.7 | V15 T16 G17 Q23 T53 L54 | V15-E19 WeakPolarHBondContact CB-OE2 3.14Å; T16-E19 WeakPolarHBondContact CB-OE1 3.37Å; T16-E19 PolarHBondContact N-OE1 2.64Å; T16-E19 PolarHBondContact N-OE2 3.24Å; T16-E19 PolarHBondContact OG1-OE1 3.25Å; T16-E19 PolarHBondContact OG1-OE2 2.76Å; G17-E19 PolarHBondContact N-OE2 2.82Å; E19-Q23 HydrophobicContact CB-CB 4.41Å; E19-Q23 VanDerWaalsContact CB-OE1 3.29Å; E19-T53 CarbonylContact O-C 3.6Å; E19-T53 WeakPolarHBondContact O-CA 3.46Å; E19-L54 HydrophobicContact CB-CD1 4.1Å; E19-L54 WeakPolarHBondContact O-CG 3.49Å; E19-L54 PolarHBondContact O-N 3.27Å | ||
| 20 | T | 97.1 | Very high | 95.2 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 20% | 0.202 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -83.6 | 158.9 | 172.6 | 62.3 | 0 | 0 | 0 | 0 | 111.1 | A22 Q23 I24 A52 T53 | T20-A22 PolarHBondContact O-N 3.38Å; T20-Q23 WeakPolarHBondContact O-CB 3.48Å; T20-Q23 PolarHBondContact O-N 2.99Å; T20-Q23 WeakPolarHBondContact OG1-CG 3.22Å; T20-Q23 PolarHBondContact OG1-N 3.39Å; T20-I24 PolarHBondContact O-N 3.24Å; T20-A52 WeakPolarHBondContact CA-O 3.5Å; T20-T53 HydrophobicContact CG2-CG2 4.27Å |
| 21 | V | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.9 | -34.9 | 174.3 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | Q23 I24 K25 V41 L48 E49 A52 | V21-Q23 VanDerWaalsContact C-N 3.29Å; V21-Q23 PolarHBondContact O-N 2.88Å; V21-I24 PolarHBondContact O-N 3.03Å; V21-I24 VanDerWaalsContact O-N 3.15Å; V21-K25 WeakPolarHBondContact O-CG 3.45Å; V21-K25 PolarHBondContact O-N 2.87Å; V21-V41 HydrophobicContact CG1-CB 3.77Å; V21-V41 HydrophobicContact CG1-CG1 4.26Å; V21-V41 HydrophobicContact CG1-CG2 3.9Å; V21-L48 HydrophobicContact CG1-CB 4.16Å; V21-L48 HydrophobicContact CG2-CB 3.76Å; V21-L48 HydrophobicContact CG2-CD1 4.06Å; V21-E49 WeakPolarHBondContact CB-O 3.31Å; V21-E49 WeakPolarHBondContact CG2-O 3.39Å; V21-A52 PolarHBondContact N-O 3.47Å |
| 22 | A | 96.9 | Very high | 94.9 | Very high | 40 Ų | 40 | 52.9 Ų | 52.9 | 33% | 0.331 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.6 | -39.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | T20 K25 A26 D50 | T20-A22 PolarHBondContact O-N 3.38Å; A22-K25 PolarHBondContact O-N 2.78Å; A22-A26 PolarHBondContact O-N 3.17Å; A22-D50 HydrophobicContact CB-CB 4.16Å; A22-D50 WeakPolarHBondContact CB-O 3.38Å; A22-D50 PolarHBondContact N-O 2.95Å; A22-D50 VanDerWaalsContact N-O 3.11Å |
| 23 | Q | 96.4 | Very high | 94.7 | Very high | 94 Ų | 94 | 52.1 Ų | 52.1 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 176.6 | -70.3 | 169.8 | -20.4 | 0 | 0 | 111.2 | E19 T20 V21 K25 A26 H27 | E19-Q23 HydrophobicContact CB-CB 4.41Å; E19-Q23 VanDerWaalsContact CB-OE1 3.29Å; T20-Q23 WeakPolarHBondContact O-CB 3.48Å; T20-Q23 PolarHBondContact O-N 2.99Å; T20-Q23 WeakPolarHBondContact OG1-CG 3.22Å; T20-Q23 PolarHBondContact OG1-N 3.39Å; V21-Q23 VanDerWaalsContact C-N 3.29Å; V21-Q23 PolarHBondContact O-N 2.88Å; Q23-K25 VanDerWaalsContact C-N 3.34Å; Q23-K25 PolarHBondContact O-N 3.14Å; Q23-A26 WeakPolarHBondContact O-CB 3.42Å; Q23-A26 PolarHBondContact O-N 3.35Å; Q23-H27 PolarHBondContact O-CD2 3.04Å; Q23-H27 PolarHBondContact O-N 2.97Å |
| 24 | I | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.5 | -59.1 | -65.6 | 0 | 0 | 0 | 111.1 | L13 V15 T20 V21 A26 H27 V28 L54 L65 | L13-I24 HydrophobicContact CD1-CD1 4.32Å; V15-I24 HydrophobicContact CG1-CD1 4.01Å; T20-I24 PolarHBondContact O-N 3.24Å; V21-I24 PolarHBondContact O-N 3.03Å; V21-I24 VanDerWaalsContact O-N 3.15Å; I24-A26 VanDerWaalsContact C-N 3.31Å; I24-A26 PolarHBondContact O-N 2.9Å; I24-H27 WeakPolarHBondContact O-CB 3.43Å; I24-H27 PolarHBondContact O-N 2.83Å; I24-V28 HydrophobicContact CG2-CG2 4.48Å; I24-V28 WeakPolarHBondContact O-CG2 3.41Å; I24-V28 PolarHBondContact O-N 3.3Å; I24-L54 HydrophobicContact CD1-CD1 3.92Å; I24-L54 HydrophobicContact CG1-CD1 4.16Å; I24-L54 HydrophobicContact CG1-CD2 4.1Å; I24-L54 HydrophobicContact CG1-CG 4.39Å; I24-L65 HydrophobicContact CG2-CD1 4.36Å |
| 25 | K | 96.3 | Very high | 94.4 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 7% | 0.065 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 174.6 | -72 | -179.9 | 173.9 | -175.7 | 0 | 112.6 | V21 A22 Q23 V28 A29 P36 Q39 V41 D50 | V21-K25 WeakPolarHBondContact O-CG 3.45Å; V21-K25 PolarHBondContact O-N 2.87Å; A22-K25 PolarHBondContact O-N 2.78Å; Q23-K25 VanDerWaalsContact C-N 3.34Å; Q23-K25 PolarHBondContact O-N 3.14Å; K25-V28 PolarHBondContact O-N 3.2Å; K25-A29 WeakPolarHBondContact O-CB 3.27Å; K25-A29 PolarHBondContact O-N 3.28Å; K25-P36 HydrophobicContact CB-CB 4.14Å; K25-Q39 HydrophobicContact CD-CB 4.27Å; K25-Q39 VanDerWaalsContact CE-O 3.22Å; K25-Q39 WeakPolarHBondContact CE-O 3.32Å; K25-Q39 HydrophobicContact CG-CB 4.11Å; K25-Q39 PolarHBondContact NZ-O 2.96Å; K25-Q39 VanDerWaalsContact NZ-O 3.07Å; K25-Q39 PolarHBondContact O-NE2 2.91Å; K25-Q39 PolarHBondContact O-OE1 3.48Å; K25-Q39 VanDerWaalsContact O-OE1 3.11Å; K25-V41 HydrophobicContact CD-CG2 4.35Å; K25-V41 HydrophobicContact CG-CG2 3.51Å; K25-D50 WeakPolarHBondContact CD-OD1 3.45Å; K25-D50 WeakPolarHBondContact CE-OD1 3.35Å; K25-D50 IonicContact NZ-OD1 2.63Å; K25-D50 PolarHBondContact NZ-OD1 2.67Å; K25-D50 IonicContact NZ-OD2 3.36Å; K25-D50 PolarHBondContact NZ-OD2 2.76Å |
| 26 | A | 96.4 | Very high | 94.4 | Very high | 50 Ų | 50 | 49.6 Ų | 49.6 | 41% | 0.413 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A22 Q23 I24 A29 S30 | A22-A26 PolarHBondContact O-N 3.17Å; Q23-A26 WeakPolarHBondContact O-CB 3.42Å; Q23-A26 PolarHBondContact O-N 3.35Å; I24-A26 VanDerWaalsContact C-N 3.31Å; I24-A26 PolarHBondContact O-N 2.9Å; A26-A29 WeakPolarHBondContact O-CB 3.42Å; A26-A29 PolarHBondContact O-N 3.11Å; A26-S30 PolarHBondContact O-N 3.43Å; A26-S30 VanDerWaalsContact O-N 3.1Å |
| 27 | H | 94.9 | Very high | 94.4 | Very high | 102 Ų | 102 | 51.2 Ų | 51.2 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 173.5 | -85.2 | -76.7 | 0 | 0 | 0 | 112 | L13 Q23 I24 A29 S30 L31 | L13-H27 HydrophobicContact CD1-CB 4.41Å; Q23-H27 PolarHBondContact O-CD2 3.04Å; Q23-H27 PolarHBondContact O-N 2.97Å; I24-H27 WeakPolarHBondContact O-CB 3.43Å; I24-H27 PolarHBondContact O-N 2.83Å; H27-A29 VanDerWaalsContact C-N 3.28Å; H27-A29 PolarHBondContact O-N 2.96Å; H27-S30 PolarHBondContact O-N 2.92Å; H27-S30 PolarHBondContact O-OG 2.93Å; H27-L31 WeakPolarHBondContact O-CG 3.26Å; H27-L31 PolarHBondContact O-N 3.03Å |
| 28 | V | 95.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -36.5 | 177.2 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | V5 A7 I24 K25 S30 L31 E32 V67 | V5-V28 HydrophobicContact CG1-CG2 3.72Å; A7-V28 HydrophobicContact CB-CG1 4.23Å; I24-V28 HydrophobicContact CG2-CG2 4.48Å; I24-V28 WeakPolarHBondContact O-CG2 3.41Å; I24-V28 PolarHBondContact O-N 3.3Å; K25-V28 PolarHBondContact O-N 3.2Å; V28-S30 VanDerWaalsContact C-N 3.31Å; V28-S30 PolarHBondContact O-N 3.15Å; V28-L31 PolarHBondContact O-N 3.18Å; V28-L31 VanDerWaalsContact O-N 3.14Å; V28-E32 HydrophobicContact CG1-CG 4.38Å; V28-E32 PolarHBondContact O-N 2.79Å; V28-V67 HydrophobicContact CG1-CG1 4.18Å; V28-V67 HydrophobicContact CG2-CG2 4.26Å |
| 29 | A | 95.1 | Very high | 94.6 | Very high | 19 Ų | 19 | 46.9 Ų | 46.9 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K25 A26 H27 L31 G33 I34 P36 Q39 | K25-A29 WeakPolarHBondContact O-CB 3.27Å; K25-A29 PolarHBondContact O-N 3.28Å; A26-A29 WeakPolarHBondContact O-CB 3.42Å; A26-A29 PolarHBondContact O-N 3.11Å; H27-A29 VanDerWaalsContact C-N 3.28Å; H27-A29 PolarHBondContact O-N 2.96Å; A29-L31 VanDerWaalsContact C-N 3.32Å; A29-L31 PolarHBondContact O-N 2.84Å; A29-G33 VanDerWaalsContact O-CA 3.25Å; A29-G33 WeakPolarHBondContact O-CA 3.44Å; A29-G33 PolarHBondContact O-N 2.9Å; A29-I34 VanDerWaalsContact CA-O 3.22Å; A29-I34 WeakPolarHBondContact CA-O 3.35Å; A29-I34 WeakPolarHBondContact CB-O 3.35Å; A29-P36 HydrophobicContact CB-CG 3.95Å; A29-Q39 VanDerWaalsContact N-NE2 3.16Å |
| 30 | S | 95 | Very high | 94.7 | Very high | 93 Ų | 93 | 46.9 Ų | 46.9 | 65% | 0.65 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -67.6 | -29.7 | 176.5 | 73.5 | 0 | 0 | 0 | 0 | 114 | A26 H27 V28 | A26-S30 PolarHBondContact O-N 3.43Å; A26-S30 VanDerWaalsContact O-N 3.1Å; H27-S30 PolarHBondContact O-N 2.92Å; H27-S30 PolarHBondContact O-OG 2.93Å; V28-S30 VanDerWaalsContact C-N 3.31Å; V28-S30 PolarHBondContact O-N 3.15Å |
| 31 | L | 94.1 | Very high | 94.6 | Very high | 89 Ų | 89 | 45.3 Ų | 45.3 | 47% | 0.466 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -84.9 | -41.5 | -177.7 | -68.9 | 174 | 0 | 0 | 0 | 111.7 | H11 L13 H27 V28 A29 | H11-L31 HydrophobicContact CB-CD1 4.25Å; L13-L31 HydrophobicContact CD2-CD1 4.33Å; H27-L31 WeakPolarHBondContact O-CG 3.26Å; H27-L31 PolarHBondContact O-N 3.03Å; V28-L31 PolarHBondContact O-N 3.18Å; V28-L31 VanDerWaalsContact O-N 3.14Å; A29-L31 VanDerWaalsContact C-N 3.32Å; A29-L31 PolarHBondContact O-N 2.84Å |
| 32 | E | 93.2 | Very high | 94.7 | Very high | 29 Ų | 29 | 46.7 Ų | 46.7 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -113.7 | -7.8 | -169.5 | -60.6 | -155.3 | 157.2 | 0 | 0 | 114.8 | A7 Q8 E9 H11 V28 I34 | A7-E32 WeakPolarHBondContact CB-OE1 3.47Å; A7-E32 WeakPolarHBondContact CB-OE2 3.43Å; Q8-E32 WeakPolarHBondContact CA-OE1 3.41Å; Q8-E32 WeakPolarHBondContact CB-OE1 3.48Å; Q8-E32 WeakPolarHBondContact CB-OE2 3.42Å; Q8-E32 WeakPolarHBondContact CG-OE2 3.48Å; Q8-E32 VanDerWaalsContact N-CD 3.26Å; Q8-E32 PolarHBondContact N-OE1 2.68Å; Q8-E32 PolarHBondContact N-OE2 2.75Å; Q8-E32 PolarHBondContact NE2-O 3Å; E9-E32 PolarHBondContact N-OE1 2.87Å; H11-E32 IonicContact CD2-OE1 3.78Å; H11-E32 IonicContact NE2-OE1 3.27Å; H11-E32 PolarHBondContact NE2-OE1 2.83Å; V28-E32 HydrophobicContact CG1-CG 4.38Å; V28-E32 PolarHBondContact O-N 2.79Å; E32-I34 VanDerWaalsContact C-N 3.29Å; E32-I34 HydrophobicContact CB-CG1 4.44Å; E32-I34 PolarHBondContact O-N 2.91Å |
| 33 | G | 91.8 | Very high | 94.6 | Very high | 70 Ų | 70 | 46.5 Ų | 46.5 | 72% | 0.722 | 28% | 0.277 | S | S | * | . | trans | 73.4 | 13.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A29 | A29-G33 VanDerWaalsContact O-CA 3.25Å; A29-G33 WeakPolarHBondContact O-CA 3.44Å; A29-G33 PolarHBondContact O-N 2.9Å | ||
| 34 | I | 91.1 | Very high | 94.5 | Very high | 35 Ų | 35 | 46.6 Ų | 46.6 | 18% | 0.179 | 29% | 0.294 | C | S | . | . | trans | -87.6 | 126.6 | 173.5 | -54.4 | 175.9 | 0 | 0 | 0 | 108.7 | Q8 A29 E32 D38 Q39 | Q8-I34 HydrophobicContact CG-CD1 4.46Å; A29-I34 VanDerWaalsContact CA-O 3.22Å; A29-I34 WeakPolarHBondContact CA-O 3.35Å; A29-I34 WeakPolarHBondContact CB-O 3.35Å; E32-I34 VanDerWaalsContact C-N 3.29Å; E32-I34 HydrophobicContact CB-CG1 4.44Å; E32-I34 PolarHBondContact O-N 2.91Å; I34-D38 HydrophobicContact CG2-CB 4Å; I34-Q39 HydrophobicContact CB-CG 4.12Å; I34-Q39 HydrophobicContact CG2-CG 3.66Å; I34-Q39 PolarHBondContact O-NE2 3.36Å | ||
| 35 | A | 92.9 | Very high | 94.3 | Very high | 33 Ų | 33 | 49 Ų | 49 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | trans | -60 | 142.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E37 D38 Q39 | A35-E37 VanDerWaalsContact C-N 3.26Å; A35-E37 HydrophobicContact CB-CG 4.13Å; A35-E37 PolarHBondContact O-N 3.39Å; A35-D38 WeakPolarHBondContact O-CA 3.49Å; A35-D38 PolarHBondContact O-N 3.07Å; A35-Q39 WeakPolarHBondContact O-CG 3.38Å; A35-Q39 PolarHBondContact O-N 3.36Å | ||
| 36 | P | 94.5 | Very high | 94.3 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -55.1 | -36.8 | -179.3 | -27.1 | 35.4 | 0 | 0 | 0 | 114.1 | K25 A29 D38 Q39 | K25-P36 HydrophobicContact CB-CB 4.14Å; A29-P36 HydrophobicContact CB-CG 3.95Å; P36-D38 PolarHBondContact O-N 2.95Å; P36-Q39 PolarHBondContact O-N 2.63Å; P36-Q39 VanDerWaalsContact O-N 3.11Å |
| 37 | E | 92.2 | Very high | 94.3 | Very high | 139 Ų | 139 | 53.9 Ų | 53.9 | 65% | 0.65 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -62.8 | -27.7 | 175.2 | 55.6 | -100.3 | -156.9 | 0 | 0 | 114.1 | A35 Q39 | A35-E37 VanDerWaalsContact C-N 3.26Å; A35-E37 HydrophobicContact CB-CG 4.13Å; A35-E37 PolarHBondContact O-N 3.39Å; E37-Q39 VanDerWaalsContact C-N 3.33Å |
| 38 | D | 92.6 | Very high | 94.3 | Very high | 59 Ų | 59 | 50.2 Ų | 50.2 | 32% | 0.316 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -90.1 | 0.5 | 178.3 | -70.7 | -31.8 | 0 | 0 | 0 | 111.8 | I34 A35 P36 G69 R70 | I34-D38 HydrophobicContact CG2-CB 4Å; A35-D38 WeakPolarHBondContact O-CA 3.49Å; A35-D38 PolarHBondContact O-N 3.07Å; P36-D38 PolarHBondContact O-N 2.95Å; D38-G69 CarbonylContact O-C 3.43Å; D38-G69 VanDerWaalsContact O-CA 3.29Å; D38-G69 WeakPolarHBondContact O-CA 3.48Å; D38-R70 PolarHBondContact O-N 2.93Å |
| 39 | Q | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 141.1 | 177.9 | -65.3 | 177 | 28.3 | 0 | 0 | 112.4 | K25 A29 I34 A35 P36 E37 V67 | K25-Q39 HydrophobicContact CD-CB 4.27Å; K25-Q39 VanDerWaalsContact CE-O 3.22Å; K25-Q39 WeakPolarHBondContact CE-O 3.32Å; K25-Q39 HydrophobicContact CG-CB 4.11Å; K25-Q39 PolarHBondContact NZ-O 2.96Å; K25-Q39 VanDerWaalsContact NZ-O 3.07Å; K25-Q39 PolarHBondContact O-NE2 2.91Å; K25-Q39 PolarHBondContact O-OE1 3.48Å; K25-Q39 VanDerWaalsContact O-OE1 3.11Å; A29-Q39 VanDerWaalsContact N-NE2 3.16Å; I34-Q39 HydrophobicContact CB-CG 4.12Å; I34-Q39 HydrophobicContact CG2-CG 3.66Å; I34-Q39 PolarHBondContact O-NE2 3.36Å; A35-Q39 WeakPolarHBondContact O-CG 3.38Å; A35-Q39 PolarHBondContact O-N 3.36Å; P36-Q39 PolarHBondContact O-N 2.63Å; P36-Q39 VanDerWaalsContact O-N 3.11Å; E37-Q39 VanDerWaalsContact C-N 3.33Å; Q39-V67 HydrophobicContact CB-CG1 3.96Å; Q39-V67 HydrophobicContact CG-CG1 4.09Å |
| 40 | V | 95.4 | Very high | 94.4 | Very high | 31 Ų | 31 | 59.3 Ų | 59.3 | 19% | 0.188 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 112.3 | 167.1 | -173.5 | 0 | 0 | 0 | 0 | 108 | L42 P47 V67 A68 R70 | V40-L42 HydrophobicContact CG1-CD1 4.48Å; V40-L42 HydrophobicContact CG1-CD2 4.33Å; V40-L42 HydrophobicContact CG1-CG 4.16Å; V40-P47 HydrophobicContact CG1-CB 3.89Å; V40-V67 WeakPolarHBondContact O-CA 3.25Å; V40-A68 PolarHBondContact N-O 2.89Å; V40-A68 PolarHBondContact O-N 3.35Å; V40-R70 HydrophobicContact CG2-CG 3.74Å |
| 41 | V | 96.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 130.9 | 174.8 | -176 | 0 | 0 | 0 | 0 | 108.3 | V21 K25 P47 L48 L65 E66 V67 | V21-V41 HydrophobicContact CG1-CB 3.77Å; V21-V41 HydrophobicContact CG1-CG1 4.26Å; V21-V41 HydrophobicContact CG1-CG2 3.9Å; K25-V41 HydrophobicContact CD-CG2 4.35Å; K25-V41 HydrophobicContact CG-CG2 3.51Å; V41-P47 WeakPolarHBondContact O-CA 3.05Å; V41-L48 HydrophobicContact CG1-CD1 4.37Å; V41-L48 PolarHBondContact O-N 3.22Å; V41-L65 HydrophobicContact CG1-CB 4.27Å; V41-L65 HydrophobicContact CG1-CD1 4.18Å; V41-L65 HydrophobicContact CG1-CD2 4.43Å; V41-E66 CarbonylContact C-O 3.51Å; V41-E66 WeakPolarHBondContact CA-O 3.29Å; V41-V67 HydrophobicContact CG1-CG2 4.5Å; V41-V67 HydrophobicContact CG2-CG1 4.44Å; V41-V67 HydrophobicContact CG2-CG2 4.12Å |
| 42 | L | 97 | Very high | 94.5 | Very high | 29 Ų | 29 | 59.5 Ų | 59.5 | 15% | 0.152 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 138.3 | -173.6 | -60.7 | 134.4 | 0 | 0 | 0 | 109.9 | V40 G45 T46 P47 E66 A68 | V40-L42 HydrophobicContact CG1-CD1 4.48Å; V40-L42 HydrophobicContact CG1-CD2 4.33Å; V40-L42 HydrophobicContact CG1-CG 4.16Å; L42-G45 WeakPolarHBondContact CD2-O 3.38Å; L42-T46 CarbonylContact C-O 3.54Å; L42-T46 VanDerWaalsContact CA-O 3.27Å; L42-T46 WeakPolarHBondContact CA-O 3.22Å; L42-P47 HydrophobicContact CD2-CB 4.15Å; L42-E66 HydrophobicContact CB-CB 4.2Å; L42-E66 HydrophobicContact CD1-CB 4.4Å; L42-E66 PolarHBondContact N-O 2.7Å; L42-E66 PolarHBondContact O-N 3.21Å; L42-A68 HydrophobicContact CD1-CB 4.06Å |
| 43 | L | 96.1 | Very high | 94.6 | Very high | 35 Ų | 35 | 59.3 Ų | 59.3 | 18% | 0.183 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119 | 165.2 | -179.6 | 65.6 | 0 | 0 | 0 | 108.4 | G45 T46 L48 C57 V59 T63 L65 | L43-G45 PolarHBondContact O-N 3.22Å; L43-G45 VanDerWaalsContact O-N 3.17Å; L43-T46 PolarHBondContact N-O 3.02Å; L43-T46 WeakPolarHBondContact O-CB 3.46Å; L43-T46 PolarHBondContact O-N 3Å; L43-L48 HydrophobicContact CB-CD1 4.17Å; L43-L48 HydrophobicContact CB-CD2 4.1Å; L43-L48 HydrophobicContact CB-CG 4.33Å; L43-C57 WeakPolarHBondContact CD2-O 3.45Å; L43-V59 HydrophobicContact CD2-CG2 4.06Å; L43-T63 HydrophobicContact CD1-CG2 3.46Å; L43-T63 VanDerWaalsContact CD1-CG2 3.46Å; L43-L65 HydrophobicContact CB-CD2 4.21Å; L43-L65 HydrophobicContact CD1-CD2 4.04Å |
| 44 | A | 93.6 | Very high | 94.8 | Very high | 97 Ų | 97 | 56 Ų | 56 | 80% | 0.802 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 40.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T46 | A44-T46 VanDerWaalsContact C-N 3.26Å; A44-T46 PolarHBondContact O-N 3.41Å |
| 45 | G | 93.1 | Very high | 94.8 | Very high | 50 Ų | 50 | 56.5 Ų | 56.5 | 52% | 0.515 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 0 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L42 L43 | L42-G45 WeakPolarHBondContact CD2-O 3.38Å; L43-G45 PolarHBondContact O-N 3.22Å; L43-G45 VanDerWaalsContact O-N 3.17Å |
| 46 | T | 94.8 | Very high | 94.9 | Very high | 90 Ų | 90 | 61.9 Ų | 61.9 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 123.8 | 176.2 | -54.3 | 0 | 0 | 0 | 0 | 110 | L42 L43 A44 | L42-T46 CarbonylContact C-O 3.54Å; L42-T46 VanDerWaalsContact CA-O 3.27Å; L42-T46 WeakPolarHBondContact CA-O 3.22Å; L43-T46 PolarHBondContact N-O 3.02Å; L43-T46 WeakPolarHBondContact O-CB 3.46Å; L43-T46 PolarHBondContact O-N 3Å; A44-T46 VanDerWaalsContact C-N 3.26Å; A44-T46 PolarHBondContact O-N 3.41Å |
| 47 | P | 96.2 | Very high | 94.8 | Very high | 78 Ų | 78 | 60.8 Ų | 60.8 | 51% | 0.506 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 138.9 | -179.7 | 28.6 | -34.2 | 0 | 0 | 0 | 110.3 | V40 V41 L42 | V40-P47 HydrophobicContact CG1-CB 3.89Å; V41-P47 WeakPolarHBondContact O-CA 3.05Å; L42-P47 HydrophobicContact CD2-CB 4.15Å |
| 48 | L | 96.1 | Very high | 94.7 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 13% | 0.131 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -98.7 | 147 | 177.5 | -54.2 | -179.1 | 0 | 0 | 0 | 111.1 | V21 V41 L43 C57 L65 | V21-L48 HydrophobicContact CG1-CB 4.16Å; V21-L48 HydrophobicContact CG2-CB 3.76Å; V21-L48 HydrophobicContact CG2-CD1 4.06Å; V41-L48 HydrophobicContact CG1-CD1 4.37Å; V41-L48 PolarHBondContact O-N 3.22Å; L43-L48 HydrophobicContact CB-CD1 4.17Å; L43-L48 HydrophobicContact CB-CD2 4.1Å; L43-L48 HydrophobicContact CB-CG 4.33Å; L48-C57 HydrophobicContact CD1-CB 3.94Å; L48-C57 HydrophobicContact CD2-CB 3.96Å; L48-L65 HydrophobicContact CD1-CD2 4.27Å |
| 49 | E | 95.9 | Very high | 94.8 | Very high | 150 Ų | 150 | 54.1 Ų | 54.1 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -83.4 | 144.9 | 178.4 | -64.9 | -64.6 | 161.3 | 0 | 0 | 111.4 | V21 E51 A52 | V21-E49 WeakPolarHBondContact CB-O 3.31Å; V21-E49 WeakPolarHBondContact CG2-O 3.39Å; E49-E51 VanDerWaalsContact C-N 3.3Å; E49-E51 PolarHBondContact O-N 2.8Å; E49-A52 PolarHBondContact O-N 2.97Å |
| 50 | D | 95.6 | Very high | 94.8 | Very high | 62 Ų | 62 | 61 Ų | 61 | 33% | 0.332 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -33.2 | -171.2 | -76.5 | -15.8 | 0 | 0 | 0 | 114 | A22 K25 | A22-D50 HydrophobicContact CB-CB 4.16Å; A22-D50 WeakPolarHBondContact CB-O 3.38Å; A22-D50 PolarHBondContact N-O 2.95Å; A22-D50 VanDerWaalsContact N-O 3.11Å; K25-D50 WeakPolarHBondContact CD-OD1 3.45Å; K25-D50 WeakPolarHBondContact CE-OD1 3.35Å; K25-D50 IonicContact NZ-OD1 2.63Å; K25-D50 PolarHBondContact NZ-OD1 2.67Å; K25-D50 IonicContact NZ-OD2 3.36Å; K25-D50 PolarHBondContact NZ-OD2 2.76Å |
| 51 | E | 95.6 | Very high | 94.7 | Very high | 166 Ų | 166 | 62.4 Ų | 62.4 | 78% | 0.776 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -14.2 | -178.6 | -59.2 | -57.5 | 145.1 | 0 | 0 | 113.5 | E49 | E49-E51 VanDerWaalsContact C-N 3.3Å; E49-E51 PolarHBondContact O-N 2.8Å |
| 52 | A | 95.9 | Very high | 94.5 | Very high | 19 Ų | 19 | 67.5 Ų | 67.5 | 16% | 0.157 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -75.7 | 139.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T20 V21 E49 C57 | T20-A52 WeakPolarHBondContact CA-O 3.5Å; V21-A52 PolarHBondContact N-O 3.47Å; E49-A52 PolarHBondContact O-N 2.97Å; A52-C57 WeakPolarHBondContact CB-SG 3.17Å |
| 53 | T | 96 | Very high | 94.5 | Very high | 25 Ų | 25 | 67.6 Ų | 67.6 | 15% | 0.153 | 41% | 0.412 | C | S | . | . | B | Isolated β-bridge | trans | -79.2 | 154.3 | 171.6 | 66.9 | 0 | 0 | 0 | 0 | 111 | E19 T20 G55 Q56 C57 | E19-T53 CarbonylContact O-C 3.6Å; E19-T53 WeakPolarHBondContact O-CA 3.46Å; T20-T53 HydrophobicContact CG2-CG2 4.27Å; T53-G55 PolarHBondContact O-N 3.38Å; T53-Q56 VanDerWaalsContact N-OE1 3.1Å; T53-Q56 WeakPolarHBondContact O-CB 3.09Å; T53-Q56 PolarHBondContact O-N 3.19Å; T53-Q56 VanDerWaalsContact OG1-CG 3.25Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.4Å; T53-Q56 PolarHBondContact OG1-N 3.39Å; T53-C57 PolarHBondContact O-N 2.67Å; T53-C57 PolarHBondContact O-SG 3.21Å; T53-C57 VanDerWaalsContact O-SG 3.39Å |
| 54 | L | 94.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.005 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -42.3 | 177.2 | -70.7 | 177 | 0 | 0 | 0 | 112.2 | L3 V15 E19 I24 Q56 C57 G58 V59 L65 | L3-L54 HydrophobicContact CD1-CD1 3.87Å; V15-L54 HydrophobicContact CB-CD1 4.23Å; V15-L54 HydrophobicContact CG1-CD1 4.46Å; V15-L54 HydrophobicContact CG2-CD1 3.89Å; E19-L54 HydrophobicContact CB-CD1 4.1Å; E19-L54 WeakPolarHBondContact O-CG 3.49Å; E19-L54 PolarHBondContact O-N 3.27Å; I24-L54 HydrophobicContact CD1-CD1 3.92Å; I24-L54 HydrophobicContact CG1-CD1 4.16Å; I24-L54 HydrophobicContact CG1-CD2 4.1Å; I24-L54 HydrophobicContact CG1-CG 4.39Å; L54-Q56 PolarHBondContact O-N 2.87Å; L54-C57 PolarHBondContact O-N 2.82Å; L54-G58 PolarHBondContact O-N 3.47Å; L54-V59 HydrophobicContact CB-CB 4.13Å; L54-V59 HydrophobicContact CD2-CB 4.23Å; L54-V59 HydrophobicContact CD2-CG1 4.25Å; L54-V59 HydrophobicContact CD2-CG2 4Å; L54-V59 VanDerWaalsContact O-CB 3.31Å; L54-V59 WeakPolarHBondContact O-CB 3.42Å; L54-V59 PolarHBondContact O-N 3.11Å; L54-L65 HydrophobicContact CD2-CD1 4.1Å |
| 55 | G | 92.3 | Very high | 94.7 | Very high | 46 Ų | 46 | 64.5 Ų | 64.5 | 47% | 0.474 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -38.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | G17 T53 C57 G58 | G17-G55 PolarHBondContact O-N 2.87Å; T53-G55 PolarHBondContact O-N 3.38Å; G55-C57 VanDerWaalsContact C-N 3.3Å; G55-C57 PolarHBondContact O-N 3.14Å; G55-G58 PolarHBondContact O-N 3.36Å |
| 56 | Q | 93.7 | Very high | 94.9 | Very high | 146 Ų | 146 | 66.1 Ų | 66.1 | 68% | 0.682 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -31.8 | 176.2 | -72.9 | 168.4 | -10 | 0 | 0 | 112.4 | T53 L54 G58 | T53-Q56 VanDerWaalsContact N-OE1 3.1Å; T53-Q56 WeakPolarHBondContact O-CB 3.09Å; T53-Q56 PolarHBondContact O-N 3.19Å; T53-Q56 VanDerWaalsContact OG1-CG 3.25Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.4Å; T53-Q56 PolarHBondContact OG1-N 3.39Å; L54-Q56 PolarHBondContact O-N 2.87Å; Q56-G58 PolarHBondContact O-N 3.11Å |
| 57 | C | 92.2 | Very high | 94.9 | Very high | 28 Ų | 28 | 62.5 Ų | 62.5 | 19% | 0.189 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -2.7 | 176.2 | -65.5 | 0 | 0 | 0 | 0 | 113.4 | L43 L48 A52 T53 L54 G55 V59 | L43-C57 WeakPolarHBondContact CD2-O 3.45Å; L48-C57 HydrophobicContact CD1-CB 3.94Å; L48-C57 HydrophobicContact CD2-CB 3.96Å; A52-C57 WeakPolarHBondContact CB-SG 3.17Å; T53-C57 PolarHBondContact O-N 2.67Å; T53-C57 PolarHBondContact O-SG 3.21Å; T53-C57 VanDerWaalsContact O-SG 3.39Å; L54-C57 PolarHBondContact O-N 2.82Å; G55-C57 VanDerWaalsContact C-N 3.3Å; G55-C57 PolarHBondContact O-N 3.14Å; C57-V59 VanDerWaalsContact C-N 3.35Å; C57-V59 HydrophobicContact CB-CG2 3.96Å |
| 58 | G | 92.1 | Very high | 94.8 | Very high | 49 Ų | 49 | 61 Ų | 61 | 51% | 0.505 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 28.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L54 G55 Q56 | L54-G58 PolarHBondContact O-N 3.47Å; G55-G58 PolarHBondContact O-N 3.36Å; Q56-G58 PolarHBondContact O-N 3.11Å |
| 59 | V | 93.9 | Very high | 94.5 | Very high | 8 Ų | 8 | 61.7 Ų | 61.7 | 5% | 0.048 | 36% | 0.364 | C | S | . | . | trans | -82.9 | 120.3 | 177.1 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | M1 L3 L43 L54 C57 T63 L65 | M1-V59 HydrophobicContact CE-CG1 4.03Å; L3-V59 HydrophobicContact CD1-CG1 3.77Å; L3-V59 HydrophobicContact CD2-CG1 3.59Å; L3-V59 HydrophobicContact CG-CG1 4.35Å; L43-V59 HydrophobicContact CD2-CG2 4.06Å; L54-V59 HydrophobicContact CB-CB 4.13Å; L54-V59 HydrophobicContact CD2-CB 4.23Å; L54-V59 HydrophobicContact CD2-CG1 4.25Å; L54-V59 HydrophobicContact CD2-CG2 4Å; L54-V59 VanDerWaalsContact O-CB 3.31Å; L54-V59 WeakPolarHBondContact O-CB 3.42Å; L54-V59 PolarHBondContact O-N 3.11Å; C57-V59 VanDerWaalsContact C-N 3.35Å; C57-V59 HydrophobicContact CB-CG2 3.96Å; V59-T63 HydrophobicContact CG1-CG2 4.47Å; V59-L65 HydrophobicContact CG2-CD2 4.01Å | ||
| 60 | E | 93.6 | Very high | 93.9 | Very high | 144 Ų | 144 | 62.1 Ų | 62.1 | 67% | 0.673 | 36% | 0.359 | S | S | * | . | trans | -108.1 | 172.8 | -179.7 | -63.9 | -175.2 | 173.8 | 0 | 0 | 112 | M1 L3 T63 | M1-E60 VanDerWaalsContact CE-O 3.27Å; M1-E60 WeakPolarHBondContact CE-O 3.4Å; L3-E60 WeakPolarHBondContact CD2-O 3.48Å; E60-T63 VanDerWaalsContact C-OG1 3.26Å; E60-T63 PolarHBondContact N-OG1 2.78Å; E60-T63 VanDerWaalsContact N-OG1 3.11Å; E60-T63 VanDerWaalsContact O-CB 3.24Å; E60-T63 WeakPolarHBondContact O-CB 3.45Å; E60-T63 PolarHBondContact O-N 3.1Å; E60-T63 PolarHBondContact O-OG1 2.83Å | ||
| 61 | A | 93.3 | Very high | 92.7 | Very high | 62 Ų | 62 | 67.5 Ų | 67.5 | 51% | 0.512 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 141.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | M1 T63 | M1-A61 HydrophobicContact CB-CB 4.16Å; A61-T63 PolarHBondContact O-N 3.04Å |
| 62 | L | 93.9 | Very high | 91.3 | Very high | 107 Ų | 107 | 67.5 Ų | 67.5 | 56% | 0.56 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 11.6 | -178.6 | -49.6 | 175.2 | 0 | 0 | 0 | 114.7 | Q2 F4 | Q2-L62 HydrophobicContact CB-CD2 4.28Å; Q2-L62 PolarHBondContact O-N 3.33Å; F4-L62 WeakPolarHBondContact CD2-O 3.49Å; F4-L62 HydrophobicContact CE2-CB 4.15Å; F4-L62 HydrophobicContact CE2-CD2 4.07Å; F4-L62 HydrophobicContact CZ-CD2 4.38Å |
| 63 | T | 95.6 | Very high | 89.9 | Confident | 32 Ų | 32 | 70 Ų | 70 | 20% | 0.196 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 146.2 | 173.4 | -52 | 0 | 0 | 0 | 0 | 110.4 | F4 L43 V59 E60 A61 | F4-T63 PolarHBondContact N-O 3.31Å; L43-T63 HydrophobicContact CD1-CG2 3.46Å; L43-T63 VanDerWaalsContact CD1-CG2 3.46Å; V59-T63 HydrophobicContact CG1-CG2 4.47Å; E60-T63 VanDerWaalsContact C-OG1 3.26Å; E60-T63 PolarHBondContact N-OG1 2.78Å; E60-T63 VanDerWaalsContact N-OG1 3.11Å; E60-T63 VanDerWaalsContact O-CB 3.24Å; E60-T63 WeakPolarHBondContact O-CB 3.45Å; E60-T63 PolarHBondContact O-N 3.1Å; E60-T63 PolarHBondContact O-OG1 2.83Å; A61-T63 PolarHBondContact O-N 3.04Å |
| 64 | T | 96.9 | Very high | 88.4 | Confident | 67 Ų | 67 | 71.9 Ų | 71.9 | 41% | 0.411 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 119.8 | 172.4 | -54.3 | 0 | 0 | 0 | 0 | 110.2 | F4 R6 | F4-T64 HydrophobicContact CB-CG2 4.21Å; F4-T64 CarbonylContact O-C 3.59Å; F4-T64 VanDerWaalsContact O-CA 3.26Å; F4-T64 WeakPolarHBondContact O-CA 3.33Å; R6-T64 HydrophobicContact CB-CG2 4.05Å |
| 65 | L | 96.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 137 | 168.1 | -65 | 176.4 | 0 | 0 | 0 | 109.2 | L3 F4 V5 R6 I24 V41 L43 L48 L54 V59 | L3-L65 HydrophobicContact CD1-CD1 4.28Å; F4-L65 PolarHBondContact O-N 3.42Å; V5-L65 WeakPolarHBondContact CA-O 3.09Å; R6-L65 PolarHBondContact N-O 3.38Å; I24-L65 HydrophobicContact CG2-CD1 4.36Å; V41-L65 HydrophobicContact CG1-CB 4.27Å; V41-L65 HydrophobicContact CG1-CD1 4.18Å; V41-L65 HydrophobicContact CG1-CD2 4.43Å; L43-L65 HydrophobicContact CB-CD2 4.21Å; L43-L65 HydrophobicContact CD1-CD2 4.04Å; L48-L65 HydrophobicContact CD1-CD2 4.27Å; L54-L65 HydrophobicContact CD2-CD1 4.1Å; V59-L65 HydrophobicContact CG2-CD2 4.01Å |
| 66 | E | 97.2 | Very high | 85.2 | Confident | 83 Ų | 83 | 85.5 Ų | 85.5 | 39% | 0.388 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.9 | 172.3 | -64 | -178.1 | 160.3 | 0 | 0 | 109.1 | R6 V41 L42 | R6-E66 CarbonylContact O-C 3.55Å; R6-E66 WeakPolarHBondContact O-CA 3.22Å; V41-E66 CarbonylContact C-O 3.51Å; V41-E66 WeakPolarHBondContact CA-O 3.29Å; L42-E66 HydrophobicContact CB-CB 4.2Å; L42-E66 HydrophobicContact CD1-CB 4.4Å; L42-E66 PolarHBondContact N-O 2.7Å; L42-E66 PolarHBondContact O-N 3.21Å |
| 67 | V | 96 | Very high | 83.4 | Confident | 15 Ų | 15 | 87.6 Ų | 87.6 | 9% | 0.091 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 118.3 | 174.8 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | V5 R6 A7 V28 Q39 V40 V41 | V5-V67 HydrophobicContact CG1-CG2 3.58Å; R6-V67 PolarHBondContact O-N 3.38Å; A7-V67 HydrophobicContact CB-CB 3.88Å; V28-V67 HydrophobicContact CG1-CG1 4.18Å; V28-V67 HydrophobicContact CG2-CG2 4.26Å; Q39-V67 HydrophobicContact CB-CG1 3.96Å; Q39-V67 HydrophobicContact CG-CG1 4.09Å; V40-V67 WeakPolarHBondContact O-CA 3.25Å; V41-V67 HydrophobicContact CG1-CG2 4.5Å; V41-V67 HydrophobicContact CG2-CG1 4.44Å; V41-V67 HydrophobicContact CG2-CG2 4.12Å |
| 68 | A | 92.9 | Very high | 82.3 | Confident | 45 Ų | 45 | 89.2 Ų | 89.2 | 37% | 0.372 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V40 L42 | V40-A68 PolarHBondContact N-O 2.89Å; V40-A68 PolarHBondContact O-N 3.35Å; L42-A68 HydrophobicContact CD1-CB 4.06Å |
| 69 | G | 89.5 | Confident | 81.3 | Confident | 40 Ų | 40 | 91.2 Ų | 91.2 | 41% | 0.412 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 133.1 | 169 | 0 | 0 | 0 | 0 | 0 | 111.6 | D38 M71 | D38-G69 CarbonylContact O-C 3.43Å; D38-G69 VanDerWaalsContact O-CA 3.29Å; D38-G69 WeakPolarHBondContact O-CA 3.48Å; G69-M71 PolarHBondContact O-N 3.21Å |
| 70 | R | 83.5 | Confident | 80.7 | Confident | 159 Ų | 159 | 98.1 Ų | 98.1 | 60% | 0.6 | 57% | 0.57 | S | S | * | * | trans | -70.3 | 119.4 | 167.5 | -67.1 | -175.1 | 173.1 | -167.9 | 0.1 | 108 | D38 V40 | D38-R70 PolarHBondContact O-N 2.93Å; V40-R70 HydrophobicContact CG2-CG 3.74Å | ||
| 71 | M | 72 | Confident | 80.1 | Confident | 175 Ų | 175 | 95.5 Ų | 95.5 | 86% | 0.862 | 57% | 0.574 | S | S | * | * | trans | -91.7 | 115.3 | 173 | -65.8 | -171 | 70.2 | 0 | 0 | 110 | G69 G73 | G69-M71 PolarHBondContact O-N 3.21Å; M71-G73 PolarHBondContact O-N 3.42Å | ||
| 72 | L | 66.3 | Low | 79.6 | Confident | 166 Ų | 166 | 101.9 Ų | 101.9 | 87% | 0.869 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -76.3 | 115.4 | 165.7 | -67.7 | 173.5 | 0 | 0 | 0 | 109.2 | ||
| 73 | G | 65.1 | Low | 79.4 | Confident | 71 Ų | 71 | 100.5 Ų | 100.5 | 73% | 0.732 | 59% | 0.589 | S | S | * | * | trans | 102.2 | 87.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | M71 | M71-G73 PolarHBondContact O-N 3.42Š| ||
| 74 | G | 65.3 | Low | 79.3 | Confident | 66 Ų | 66 | 101.5 Ų | 101.5 | 68% | 0.68 | 61% | 0.605 | S | S | * | * | trans | -85.5 | 145.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V76 | G74-V76 PolarHBondContact O-N 2.97Š| ||
| 75 | K | 58.6 | Low | 79.2 | Confident | 201 Ų | 201 | 104 Ų | 104 | 87% | 0.874 | 61% | 0.611 | S | S | * | * | trans | -61.8 | 97.3 | 172.4 | -162.8 | 177.5 | -169.9 | 175.3 | 0 | 108.9 | H77 | K75-H77 PolarHBondContact O-N 2.88Š| ||
| 76 | V | 60.8 | Low | 79.1 | Confident | 131 Ų | 131 | 109.1 Ų | 109.1 | 79% | 0.794 | 64% | 0.641 | S | S | * | * | trans | -60.4 | 110 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | G74 G78 | G74-V76 PolarHBondContact O-N 2.97Å; V76-G78 PolarHBondContact O-N 3.06Å | ||
| 77 | H | 56.3 | Low | 78.9 | Confident | 191 Ų | 191 | 115.7 Ų | 115.7 | 88% | 0.884 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -74.2 | 101.9 | -176.9 | -150.9 | -83.5 | 0 | 0 | 0 | 108.8 | K75 | K75-H77 PolarHBondContact O-N 2.88Š|
| 78 | G | 68.1 | Low | 78.7 | Confident | 61 Ų | 61 | 118.2 Ų | 118.2 | 63% | 0.629 | 69% | 0.692 | S | S | * | * | trans | 140.8 | 43.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V76 | V76-G78 PolarHBondContact O-N 3.06Š| ||
| 79 | S | 72.6 | Confident | 78.9 | Confident | 92 Ų | 92 | 122.5 Ų | 122.5 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | trans | -62.4 | 140.2 | -179.2 | 66.8 | 0 | 0 | 0 | 0 | 111.9 | A81 | S79-A81 PolarHBondContact O-N 3.09Å; S79-A81 VanDerWaalsContact O-N 3.09Å | ||
| 80 | L | 79.8 | Confident | 79.1 | Confident | 152 Ų | 152 | 124.4 Ų | 124.4 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -73.5 | 7.2 | 176.3 | -65.8 | 175.5 | 0 | 0 | 0 | 113.4 | R82 A83 | L80-R82 PolarHBondContact O-N 3.25Å; L80-A83 VanDerWaalsContact O-CB 3.28Å; L80-A83 WeakPolarHBondContact O-CB 3.28Å; L80-A83 PolarHBondContact O-N 3.26Å |
| 81 | A | 80.9 | Confident | 79.7 | Confident | 90 Ų | 90 | 122.2 Ų | 122.2 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -58.4 | -19.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S79 | S79-A81 PolarHBondContact O-N 3.09Å; S79-A81 VanDerWaalsContact O-N 3.09Å |
| 82 | R | 84.2 | Confident | 80.8 | Confident | 195 Ų | 195 | 123.7 Ų | 123.7 | 74% | 0.736 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -104.9 | 4.3 | 179.3 | -62.5 | -170.1 | -67.7 | -123 | 1.5 | 114 | L80 G84 K85 | L80-R82 PolarHBondContact O-N 3.25Å; R82-G84 PolarHBondContact O-N 3.25Å; R82-K85 WeakPolarHBondContact O-CB 3.48Å; R82-K85 PolarHBondContact O-N 2.97Å |
| 83 | A | 89.7 | Confident | 82.2 | Confident | 79 Ų | 79 | 121.7 Ų | 121.7 | 65% | 0.653 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 124.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L80 K85 | L80-A83 VanDerWaalsContact O-CB 3.28Å; L80-A83 WeakPolarHBondContact O-CB 3.28Å; L80-A83 PolarHBondContact O-N 3.26Å; A83-K85 VanDerWaalsContact C-N 3.27Å; A83-K85 PolarHBondContact O-N 2.97Å |
| 84 | G | 92.2 | Very high | 83.6 | Confident | 52 Ų | 52 | 122.3 Ų | 122.3 | 54% | 0.536 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 76.6 | -0.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | R82 V86 R87 G88 | R82-G84 PolarHBondContact O-N 3.25Å; G84-V86 PolarHBondContact O-N 3.23Å; G84-R87 PolarHBondContact O-N 3.13Å; G84-R87 VanDerWaalsContact O-N 3.13Å; G84-G88 PolarHBondContact O-N 3.02Å |
| 85 | K | 94.8 | Very high | 85 | Confident | 121 Ų | 121 | 129.1 Ų | 129.1 | 53% | 0.526 | 72% | 0.719 | S | S | . | * | H | α-helix | trans | -51.9 | -50.2 | -177.2 | -177.4 | 175.1 | 179.6 | 177 | 0 | 112.7 | R82 A83 G88 Q89 | R82-K85 WeakPolarHBondContact O-CB 3.48Å; R82-K85 PolarHBondContact O-N 2.97Å; A83-K85 VanDerWaalsContact C-N 3.27Å; A83-K85 PolarHBondContact O-N 2.97Å; K85-G88 PolarHBondContact O-N 3.23Å; K85-Q89 VanDerWaalsContact CE-NE2 3.33Å; K85-Q89 WeakPolarHBondContact O-CB 3.33Å; K85-Q89 VanDerWaalsContact O-CG 3.3Å; K85-Q89 WeakPolarHBondContact O-CG 3.4Å; K85-Q89 PolarHBondContact O-N 3.4Å |
| 86 | V | 94.4 | Very high | 86.7 | Confident | 106 Ų | 106 | 127.3 Ų | 127.3 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -65.9 | -43.3 | -179 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | G84 G88 Q89 T90 | G84-V86 PolarHBondContact O-N 3.23Å; V86-G88 VanDerWaalsContact C-N 3.28Å; V86-G88 PolarHBondContact O-N 3.29Å; V86-Q89 PolarHBondContact O-N 3.32Å; V86-T90 HydrophobicContact CG1-CG2 4.21Å; V86-T90 WeakPolarHBondContact O-CG2 3.48Å; V86-T90 PolarHBondContact O-N 3.4Å; V86-T90 PolarHBondContact O-OG1 3.01Å |
| 87 | R | 92.9 | Very high | 88.2 | Confident | 222 Ų | 222 | 130.5 Ų | 130.5 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -61.7 | -35.2 | 179.7 | -178.7 | 179.2 | 172.9 | -172.6 | -2.3 | 112.4 | G84 T90 | G84-R87 PolarHBondContact O-N 3.13Å; G84-R87 VanDerWaalsContact O-N 3.13Å; R87-T90 PolarHBondContact O-OG1 3.07Å |
| 88 | G | 92.8 | Very high | 90 | Very high | 68 Ų | 68 | 129.3 Ų | 129.3 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -77.9 | -32.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | G84 K85 V86 | G84-G88 PolarHBondContact O-N 3.02Å; K85-G88 PolarHBondContact O-N 3.23Å; V86-G88 VanDerWaalsContact C-N 3.28Å; V86-G88 PolarHBondContact O-N 3.29Å |
| 89 | Q | 96.4 | Very high | 91.2 | Very high | 135 Ų | 135 | 136.2 Ų | 136.2 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -78.5 | -30 | 179.8 | -74 | -179.2 | -16.6 | 0 | 0 | 113.4 | K85 V86 | K85-Q89 VanDerWaalsContact CE-NE2 3.33Å; K85-Q89 WeakPolarHBondContact O-CB 3.33Å; K85-Q89 VanDerWaalsContact O-CG 3.3Å; K85-Q89 WeakPolarHBondContact O-CG 3.4Å; K85-Q89 PolarHBondContact O-N 3.4Å; V86-Q89 PolarHBondContact O-N 3.32Å |
| 90 | T | 95.1 | Very high | 92.2 | Very high | 79 Ų | 79 | 141.3 Ų | 141.3 | 49% | 0.485 | 74% | 0.735 | S | S | . | * | S | Bend | trans | -67 | 128.2 | -179.1 | 49.5 | 0 | 0 | 0 | 0 | 111.3 | V86 R87 K92 | V86-T90 HydrophobicContact CG1-CG2 4.21Å; V86-T90 WeakPolarHBondContact O-CG2 3.48Å; V86-T90 PolarHBondContact O-N 3.4Å; V86-T90 PolarHBondContact O-OG1 3.01Å; R87-T90 PolarHBondContact O-OG1 3.07Å; T90-K92 PolarHBondContact O-N 3.28Å |
| 91 | P | 95.8 | Very high | 92.8 | Very high | 113 Ų | 113 | 142.7 Ų | 142.7 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -62.2 | 137.6 | 178.4 | 25.8 | -34.1 | 0 | 0 | 0 | 110.7 | V93 | P91-V93 PolarHBondContact O-N 3.17Å; P91-V93 VanDerWaalsContact O-N 3.07Å | ||
| 92 | K | 95.3 | Very high | 93.6 | Very high | 207 Ų | 207 | 144.8 Ų | 144.8 | 90% | 0.9 | 73% | 0.727 | S | S | * | * | trans | -81.7 | 91.9 | -178.5 | -167.5 | 66.8 | 174.7 | -176.2 | 0 | 110.7 | T90 A94 | T90-K92 PolarHBondContact O-N 3.28Å; K92-A94 PolarHBondContact O-N 2.78Å | ||
| 93 | V | 95.4 | Very high | 94.1 | Very high | 124 Ų | 124 | 141 Ų | 141 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 120 | 174.7 | -175.5 | 0 | 0 | 0 | 0 | 110 | P91 | P91-V93 PolarHBondContact O-N 3.17Å; P91-V93 VanDerWaalsContact O-N 3.07Å |
| 94 | A | 94.6 | Very high | 94.5 | Very high | 84 Ų | 84 | 139.9 Ų | 139.9 | 69% | 0.694 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -66 | 145.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K92 Q96 | K92-A94 PolarHBondContact O-N 2.78Å; A94-Q96 PolarHBondContact O-N 2.83Å |
| 95 | K | 95 | Very high | 94.7 | Very high | 209 Ų | 209 | 148.4 Ų | 148.4 | 91% | 0.909 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 121.4 | 175.7 | -69.9 | -179.7 | -179.2 | 174.2 | 0 | 109 | ||
| 96 | Q | 94.2 | Very high | 94.8 | Very high | 163 Ų | 163 | 145.1 Ų | 145.1 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 141.1 | 169 | -66.1 | 173.9 | -3.1 | 0 | 0 | 110.3 | A94 K98 | A94-Q96 PolarHBondContact O-N 2.83Å; Q96-K98 PolarHBondContact O-N 3.48Å |
| 97 | E | 91.8 | Very high | 94.9 | Very high | 197 Ų | 197 | 145.3 Ų | 145.3 | 92% | 0.921 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -68 | 125.4 | 172.7 | -167.1 | 175.5 | 177.4 | 0 | 0 | 109.8 | ||
| 98 | K | 93.4 | Very high | 95.1 | Very high | 167 Ų | 167 | 143 Ų | 143 | 73% | 0.726 | 72% | 0.717 | S | S | * | * | trans | -120 | 145.5 | 176.6 | -67.1 | -174.6 | -179.7 | -177.5 | 0 | 108.9 | Q96 K100 | Q96-K98 PolarHBondContact O-N 3.48Å; K98-K100 PolarHBondContact O-N 3.22Å | ||
| 99 | K | 93.9 | Very high | 95.3 | Very high | 206 Ų | 206 | 148.7 Ų | 148.7 | 90% | 0.896 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 129.7 | 175.5 | -173.3 | 170.7 | -174.9 | 166.3 | 0 | 110.7 | K101 | K99-K101 PolarHBondContact O-N 3.12Š|
| 100 | K | 93.4 | Very high | 95.3 | Very high | 198 Ų | 198 | 147.1 Ų | 147.1 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -55 | 126.8 | 178.2 | -68.2 | -178.8 | -178.5 | 175.4 | 0 | 109.8 | K98 | K98-K100 PolarHBondContact O-N 3.22Š|
| 101 | K | 93.4 | Very high | 95.3 | Very high | 181 Ų | 181 | 146 Ų | 146 | 79% | 0.787 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 134.4 | 177.8 | -65.5 | 179.6 | -178.2 | 175.6 | 0 | 108.9 | K99 | K99-K101 PolarHBondContact O-N 3.12Š|
| 102 | K | 96.3 | Very high | 95.3 | Very high | 134 Ų | 134 | 147.1 Ų | 147.1 | 58% | 0.583 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 147.8 | 170 | -62.8 | -170 | -179.9 | -175.5 | 0 | 109.7 | A106 K107 M110 | K102-A106 HydrophobicContact CB-CB 4.39Å; K102-A106 HydrophobicContact CD-CB 4.27Å; K102-K107 WeakPolarHBondContact O-CB 3.14Å; K102-K107 WeakPolarHBondContact O-CD 3.42Å; K102-K107 WeakPolarHBondContact O-CG 3.36Å; K102-M110 HydrophobicContact CD-CE 4.02Å |
| 103 | T | 96.1 | Very high | 95.3 | Very high | 115 Ų | 115 | 139.9 Ų | 139.9 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | trans | -120.1 | 175 | 179.7 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | K107 | T103-K107 PolarHBondContact O-N 2.94Š| ||
| 104 | G | 96.9 | Very high | 95.1 | Very high | 56 Ų | 56 | 143.2 Ų | 143.2 | 58% | 0.577 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | 59.6 | -143.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | A106 K107 R108 | G104-A106 VanDerWaalsContact C-N 3.27Å; G104-A106 PolarHBondContact O-N 3.18Å; G104-K107 WeakPolarHBondContact O-CB 3.22Å; G104-K107 PolarHBondContact O-N 3.35Å; G104-K107 VanDerWaalsContact O-N 3.13Å; G104-R108 PolarHBondContact O-N 3.06Å |
| 105 | R | 97.3 | Very high | 95 | Very high | 231 Ų | 231 | 146 Ų | 146 | 87% | 0.872 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -57.2 | -38.9 | -178.1 | -173.1 | 177.5 | 179.2 | -128.4 | 1.9 | 112.6 | K107 R108 R109 | R105-K107 VanDerWaalsContact C-N 3.34Å; R105-K107 PolarHBondContact O-N 2.82Å; R105-R108 PolarHBondContact O-N 3.12Å; R105-R109 PolarHBondContact O-N 3.38Å |
| 106 | A | 96.8 | Very high | 94.8 | Very high | 53 Ų | 53 | 142.6 Ų | 142.6 | 44% | 0.438 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -62.5 | -39.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K102 G104 M110 | K102-A106 HydrophobicContact CB-CB 4.39Å; K102-A106 HydrophobicContact CD-CB 4.27Å; G104-A106 VanDerWaalsContact C-N 3.27Å; G104-A106 PolarHBondContact O-N 3.18Å; A106-M110 PolarHBondContact O-N 3.28Å |
| 107 | K | 97.4 | Very high | 94.7 | Very high | 110 Ų | 110 | 139 Ų | 139 | 48% | 0.478 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.3 | -42.5 | 174.4 | -168.4 | -176.8 | 178.2 | -177.9 | 0 | 111.8 | K102 T103 G104 R105 M110 Q111 | K102-K107 WeakPolarHBondContact O-CB 3.14Å; K102-K107 WeakPolarHBondContact O-CD 3.42Å; K102-K107 WeakPolarHBondContact O-CG 3.36Å; T103-K107 PolarHBondContact O-N 2.94Å; G104-K107 WeakPolarHBondContact O-CB 3.22Å; G104-K107 PolarHBondContact O-N 3.35Å; G104-K107 VanDerWaalsContact O-N 3.13Å; R105-K107 VanDerWaalsContact C-N 3.34Å; R105-K107 PolarHBondContact O-N 2.82Å; K107-M110 PolarHBondContact O-N 3.47Å; K107-Q111 PolarHBondContact O-N 3.03Å |
| 108 | R | 97.1 | Very high | 94.5 | Very high | 173 Ų | 173 | 135.4 Ų | 135.4 | 65% | 0.653 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.6 | -43.5 | 179.5 | -67.4 | -62 | -172 | 180 | 6.8 | 112.1 | G104 R105 M110 Q111 Y112 | G104-R108 PolarHBondContact O-N 3.06Å; R105-R108 PolarHBondContact O-N 3.12Å; R108-M110 VanDerWaalsContact C-N 3.35Å; R108-M110 PolarHBondContact O-N 3.06Å; R108-Q111 PolarHBondContact O-N 3.34Å; R108-Y112 PolarHBondContact O-N 3.43Å |
| 109 | R | 96.9 | Very high | 94 | Very high | 187 Ų | 187 | 130.2 Ų | 130.2 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -58.5 | -45.5 | 173.9 | -173.1 | 177.5 | -179.7 | -173.7 | 0.1 | 111.7 | R105 Q111 Y112 N113 | R105-R109 PolarHBondContact O-N 3.38Å; R109-Q111 VanDerWaalsContact C-N 3.33Å; R109-Q111 PolarHBondContact O-N 2.93Å; R109-Y112 PolarHBondContact O-N 3.19Å; R109-N113 PolarHBondContact O-N 2.99Å; R109-N113 PolarHBondContact O-OD1 3.17Å |
| 110 | M | 94.9 | Very high | 93.4 | Very high | 102 Ų | 102 | 126 Ų | 126 | 50% | 0.502 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62 | -39.8 | 177.1 | -172.7 | -175.2 | -69.7 | 0 | 0 | 112.3 | K102 A106 K107 R108 R114 | K102-M110 HydrophobicContact CD-CE 4.02Å; A106-M110 PolarHBondContact O-N 3.28Å; K107-M110 PolarHBondContact O-N 3.47Å; R108-M110 VanDerWaalsContact C-N 3.35Å; R108-M110 PolarHBondContact O-N 3.06Å; M110-R114 WeakPolarHBondContact O-CB 3.3Å; M110-R114 PolarHBondContact O-N 3.48Å |
| 111 | Q | 94.6 | Very high | 92.7 | Very high | 57 Ų | 57 | 122.2 Ų | 122.2 | 27% | 0.266 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.9 | -41.6 | 177.6 | -173 | 178.1 | 12.9 | 0 | 0 | 112.2 | K107 R108 R109 R114 R115 | K107-Q111 PolarHBondContact O-N 3.03Å; R108-Q111 PolarHBondContact O-N 3.34Å; R109-Q111 VanDerWaalsContact C-N 3.33Å; R109-Q111 PolarHBondContact O-N 2.93Å; Q111-R114 PolarHBondContact O-N 3.44Å; Q111-R115 VanDerWaalsContact NE2-NH2 3.12Å; Q111-R115 WeakPolarHBondContact O-CB 3.48Å; Q111-R115 WeakPolarHBondContact O-CG 3.39Å; Q111-R115 PolarHBondContact O-N 3.36Å; Q111-R115 VanDerWaalsContact O-N 3.12Å |
| 112 | Y | 96.4 | Very high | 92 | Very high | 135 Ų | 135 | 118.7 Ų | 118.7 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.4 | -52.4 | 176.2 | 178 | -94.5 | 0 | 0 | 0 | 111 | R108 R109 R114 R115 F116 V117 | R108-Y112 PolarHBondContact O-N 3.43Å; R109-Y112 PolarHBondContact O-N 3.19Å; Y112-R114 VanDerWaalsContact C-N 3.28Å; Y112-R114 PolarHBondContact O-N 3.19Å; Y112-R115 PolarHBondContact O-N 2.94Å; Y112-F116 AromaticContact CD2-CD2 3.5Å; Y112-F116 HydrophobicContact CD2-CD2 3.5Å; Y112-F116 HydrophobicContact CD2-CE2 4.08Å; Y112-F116 HydrophobicContact CD2-CG 4.39Å; Y112-F116 HydrophobicContact CE2-CB 4.24Å; Y112-F116 AromaticContact CE2-CD2 3.71Å; Y112-F116 HydrophobicContact CE2-CD2 3.71Å; Y112-F116 HydrophobicContact CE2-CE2 4.41Å; Y112-F116 HydrophobicContact CE2-CG 4.21Å; Y112-F116 HydrophobicContact CG-CD2 4.19Å; Y112-F116 PolarHBondContact O-N 3.17Å; Y112-V117 HydrophobicContact CD1-CG2 3.96Å; Y112-V117 HydrophobicContact CE1-CG2 3.57Å |
| 113 | N | 95.4 | Very high | 91.3 | Very high | 56 Ų | 56 | 122.6 Ų | 122.6 | 30% | 0.299 | 60% | 0.596 | S | S | . | * | I | π-helix | trans | -57.2 | -43.8 | 179 | -70.2 | 10.4 | 0 | 0 | 0 | 111.3 | R109 R115 V117 N118 | R109-N113 PolarHBondContact O-N 2.99Å; R109-N113 PolarHBondContact O-OD1 3.17Å; N113-R115 VanDerWaalsContact C-N 3.3Å; N113-R115 PolarHBondContact O-N 3.22Å; N113-V117 PolarHBondContact O-N 3.3Å; N113-N118 WeakPolarHBondContact O-CB 3.35Å; N113-N118 PolarHBondContact O-N 3.43Å |
| 114 | R | 92.4 | Very high | 90.7 | Very high | 193 Ų | 193 | 120.5 Ų | 120.5 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | I | π-helix | trans | -66.9 | -26.3 | 179.5 | -166.4 | 174.4 | -164 | 155.2 | 4.6 | 114.1 | M110 Q111 Y112 V119 | M110-R114 WeakPolarHBondContact O-CB 3.3Å; M110-R114 PolarHBondContact O-N 3.48Å; Q111-R114 PolarHBondContact O-N 3.44Å; Y112-R114 VanDerWaalsContact C-N 3.28Å; Y112-R114 PolarHBondContact O-N 3.19Å; R114-V119 WeakPolarHBondContact O-CG2 3.4Å |
| 115 | R | 91.6 | Very high | 90.1 | Very high | 142 Ų | 142 | 127.6 Ų | 127.6 | 54% | 0.536 | 61% | 0.612 | S | S | . | * | I | π-helix | trans | -97.2 | -29.8 | -174.6 | -75.7 | -178.1 | 175.7 | -167.5 | -4.1 | 114.2 | Q111 Y112 N113 V119 | Q111-R115 VanDerWaalsContact NE2-NH2 3.12Å; Q111-R115 WeakPolarHBondContact O-CB 3.48Å; Q111-R115 WeakPolarHBondContact O-CG 3.39Å; Q111-R115 PolarHBondContact O-N 3.36Å; Q111-R115 VanDerWaalsContact O-N 3.12Å; Y112-R115 PolarHBondContact O-N 2.94Å; N113-R115 VanDerWaalsContact C-N 3.3Å; N113-R115 PolarHBondContact O-N 3.22Å; R115-V119 VanDerWaalsContact C-CG2 3.48Å; R115-V119 VanDerWaalsContact O-CG2 3.22Å; R115-V119 WeakPolarHBondContact O-CG2 3.45Å |
| 116 | F | 90.1 | Very high | 89.4 | Confident | 138 Ų | 138 | 124.5 Ų | 124.5 | 61% | 0.605 | 61% | 0.605 | S | S | * | * | I | π-helix | trans | -125.2 | -40.9 | -169.1 | -59.8 | -70.8 | 0 | 0 | 0 | 112.9 | Y112 | Y112-F116 AromaticContact CD2-CD2 3.5Å; Y112-F116 HydrophobicContact CD2-CD2 3.5Å; Y112-F116 HydrophobicContact CD2-CE2 4.08Å; Y112-F116 HydrophobicContact CD2-CG 4.39Å; Y112-F116 HydrophobicContact CE2-CB 4.24Å; Y112-F116 AromaticContact CE2-CD2 3.71Å; Y112-F116 HydrophobicContact CE2-CD2 3.71Å; Y112-F116 HydrophobicContact CE2-CE2 4.41Å; Y112-F116 HydrophobicContact CE2-CG 4.21Å; Y112-F116 HydrophobicContact CG-CD2 4.19Å; Y112-F116 PolarHBondContact O-N 3.17Å |
| 117 | V | 92.4 | Very high | 88.9 | Confident | 87 Ų | 87 | 128.8 Ų | 128.8 | 53% | 0.527 | 61% | 0.613 | S | S | . | * | I | π-helix | trans | -84.9 | -48.8 | -174.9 | -176.2 | 0 | 0 | 0 | 0 | 111.4 | Y112 N113 V119 | Y112-V117 HydrophobicContact CD1-CG2 3.96Å; Y112-V117 HydrophobicContact CE1-CG2 3.57Å; N113-V117 PolarHBondContact O-N 3.3Å; V117-V119 VanDerWaalsContact C-N 3.33Å; V117-V119 PolarHBondContact O-N 3.13Å |
| 118 | N | 87.6 | Confident | 88.4 | Confident | 122 Ų | 122 | 125.7 Ų | 125.7 | 65% | 0.652 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -88.9 | 1.5 | -173.7 | -63.4 | 9.7 | 0 | 0 | 0 | 113 | N113 | N113-N118 WeakPolarHBondContact O-CB 3.35Å; N113-N118 PolarHBondContact O-N 3.43Å |
| 119 | V | 84.3 | Confident | 88 | Confident | 59 Ų | 59 | 124 Ų | 124 | 36% | 0.358 | 63% | 0.625 | S | S | . | * | trans | -88.7 | 117.1 | -179.3 | 176.8 | 0 | 0 | 0 | 0 | 108.6 | R114 R115 V117 | R114-V119 WeakPolarHBondContact O-CG2 3.4Å; R115-V119 VanDerWaalsContact C-CG2 3.48Å; R115-V119 VanDerWaalsContact O-CG2 3.22Å; R115-V119 WeakPolarHBondContact O-CG2 3.45Å; V117-V119 VanDerWaalsContact C-N 3.33Å; V117-V119 PolarHBondContact O-N 3.13Å | ||
| 120 | V | 79.8 | Confident | 87.8 | Confident | 116 Ų | 116 | 121.9 Ų | 121.9 | 70% | 0.703 | 63% | 0.627 | S | S | * | * | trans | -88.5 | 127.5 | 168.6 | -179 | 0 | 0 | 0 | 0 | 108.5 | T122 | V120-T122 PolarHBondContact O-N 3.35Š| ||
| 121 | P | 78.6 | Confident | 87.6 | Confident | 120 Ų | 120 | 119.5 Ų | 119.5 | 78% | 0.779 | 62% | 0.623 | S | S | * | * | trans | -63.9 | 115.4 | 174.2 | -18.1 | 30.6 | 0 | 0 | 0 | 110.1 | ||||
| 122 | T | 79.1 | Confident | 87.4 | Confident | 106 Ų | 106 | 124.5 Ų | 124.5 | 65% | 0.65 | 65% | 0.652 | S | S | * | * | trans | -100.3 | 145.8 | 172.4 | 56.6 | 0 | 0 | 0 | 0 | 109.5 | V120 | V120-T122 PolarHBondContact O-N 3.35Š| ||
| 123 | F | 82.1 | Confident | 86.4 | Confident | 217 Ų | 217 | 124.6 Ų | 124.6 | 95% | 0.952 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -64.3 | 143.1 | 171.9 | -71.7 | -88.7 | 0 | 0 | 0 | 110.9 | ||
| 124 | G | 83 | Confident | 85.9 | Confident | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 95.4 | -167.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | K126 | G124-K126 PolarHBondContact O-N 3.34Š|
| 125 | K | 84.3 | Confident | 85.6 | Confident | 205 Ų | 205 | 124.6 Ų | 124.6 | 89% | 0.891 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -70.9 | 125.1 | -173 | -168.7 | 174.5 | -177.8 | 175.3 | 0 | 110.9 | K127 | K125-K127 PolarHBondContact O-N 3.35Š|
| 126 | K | 83.1 | Confident | 85.2 | Confident | 166 Ų | 166 | 123.6 Ų | 123.6 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 121.6 | 178.9 | -169.4 | 170.6 | -174.3 | 168.4 | 0 | 111.2 | G124 | G124-K126 PolarHBondContact O-N 3.34Š|
| 127 | K | 85.8 | Confident | 84.9 | Confident | 143 Ų | 143 | 122.8 Ų | 122.8 | 62% | 0.622 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 138.4 | 174.9 | -77.1 | -166.6 | 175 | -167.8 | 0 | 111.2 | K125 S133 | K125-K127 PolarHBondContact O-N 3.35Å; K127-S133 PolarHBondContact NZ-O 3.37Å; K127-S133 PolarHBondContact NZ-OXT 3.07Å |
| 128 | G | 87.4 | Confident | 84.5 | Confident | 45 Ų | 45 | 125 Ų | 125 | 46% | 0.464 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -75.2 | 155.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | N130 A131 | G128-N130 PolarHBondContact O-N 3.26Å; G128-N130 VanDerWaalsContact O-N 3.12Å; G128-A131 WeakPolarHBondContact O-CB 3.34Å; G128-A131 PolarHBondContact O-N 3.27Å |
| 129 | P | 88.2 | Confident | 84.3 | Confident | 139 Ų | 139 | 125.2 Ų | 125.2 | 90% | 0.903 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -8.8 | -176.7 | 27.4 | -35.5 | 0 | 0 | 0 | 115.3 | ||
| 130 | N | 92.2 | Very high | 84.3 | Confident | 142 Ų | 142 | 129.9 Ų | 129.9 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.5 | 29.4 | 177.4 | -160.5 | 57 | 0 | 0 | 0 | 111.1 | G128 | G128-N130 PolarHBondContact O-N 3.26Å; G128-N130 VanDerWaalsContact O-N 3.12Å |
| 131 | A | 90.8 | Very high | 84.6 | Confident | 51 Ų | 51 | 131 Ų | 131 | 42% | 0.421 | 75% | 0.747 | S | S | . | * | trans | -70.9 | 131 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | G128 S133 | G128-A131 WeakPolarHBondContact O-CB 3.34Å; G128-A131 PolarHBondContact O-N 3.27Å; A131-S133 VanDerWaalsContact C-N 3.31Å | ||
| 132 | N | 90.3 | Very high | 85.1 | Confident | 163 Ų | 163 | 131.9 Ų | 131.9 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | trans | -89.7 | 1.1 | 179.4 | -65.4 | -23.6 | 0 | 0 | 0 | 112.6 | ||||
| 133 | S | 75.2 | Confident | 85.7 | Confident | 136 Ų | 136 | 134.3 Ų | 134.3 | 95% | 0.951 | 75% | 0.753 | S | S | * | * | trans | -126.1 | 0 | -178.2 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | K127 A131 | K127-S133 PolarHBondContact NZ-O 3.37Å; K127-S133 PolarHBondContact NZ-OXT 3.07Å; A131-S133 VanDerWaalsContact C-N 3.31Å |
Retrieved 133 of 133 residues in 21.4 ms
(Link to these results)