| 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 | 92.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 69.4 Ų | 69.4 | 25% | 0.251 | 35% | 0.346 | S | S | . | . | 0 | 130.5 | 0 | 76.1 | 171.5 | -155.2 | 0 | 0 | 106.7 | L3 E14 V15 L54 V59 E61 | M1-L3 HydrophobicContact CE-CD1 3.76Å; M1-L3 HydrophobicContact CE-CD2 3.79Å; M1-L3 HydrophobicContact CE-CG 3.9Å; M1-E14 PolarHBondContact N-OE2 3.18Å; M1-V15 HydrophobicContact CE-CG2 3.54Å; M1-V15 HydrophobicContact CG-CG2 3.51Å; M1-V15 WeakPolarHBondContact CG-O 3.26Å; M1-V15 PolarHBondContact N-O 2.76Å; M1-V15 WeakPolarHBondContact O-CG2 3.37Å; M1-V15 PolarHBondContact O-N 3.49Å; M1-V15 HydrophobicContact SD-CG2 4.35Å; M1-L54 HydrophobicContact CE-CB 4.39Å; M1-L54 HydrophobicContact CE-CD1 4.15Å; M1-V59 HydrophobicContact CE-CB 4.49Å; M1-V59 HydrophobicContact CE-CG1 3.84Å; M1-E61 HydrophobicContact CB-CB 4.24Å; M1-E61 HydrophobicContact CB-CG 4.34Å | |||
| 2 | Q | 94.6 | Very high | 94.9 | Very high | 56 Ų | 56 | 71.3 Ų | 71.3 | 26% | 0.262 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 136.5 | -179 | -169.7 | 174.5 | 60.1 | 0 | 0 | 110.6 | L13 E14 H62 | Q2-L13 CarbonylContact C-O 3.6Å; Q2-L13 WeakPolarHBondContact CA-O 3.23Å; Q2-E14 WeakPolarHBondContact CB-OE1 3.47Å; Q2-H62 WeakPolarHBondContact O-CA 3.37Å; Q2-H62 PolarHBondContact O-N 3.3Å |
| 3 | L | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 155.8 | 173.7 | -65.6 | -178.4 | 0 | 0 | 0 | 111.3 | M1 T12 L13 V15 L54 V59 T60 C63 L65 | M1-L3 HydrophobicContact CE-CD1 3.76Å; M1-L3 HydrophobicContact CE-CD2 3.79Å; M1-L3 HydrophobicContact CE-CG 3.9Å; L3-T12 CarbonylContact O-C 3.58Å; L3-T12 WeakPolarHBondContact O-CA 3.5Å; L3-L13 PolarHBondContact N-O 3.24Å; L3-L13 PolarHBondContact O-N 2.91Å; L3-V15 HydrophobicContact CD1-CG2 3.61Å; L3-V15 HydrophobicContact CG-CG2 3.91Å; L3-L54 HydrophobicContact CD1-CD1 4.01Å; L3-V59 HydrophobicContact CD1-CG1 3.86Å; L3-V59 HydrophobicContact CD2-CG1 3.53Å; L3-V59 HydrophobicContact CG-CG1 4.36Å; L3-T60 VanDerWaalsContact CD2-O 3.26Å; L3-T60 WeakPolarHBondContact CD2-O 3.28Å; L3-C63 HydrophobicContact CD2-CB 3.89Å; L3-L65 HydrophobicContact CD1-CD1 4.43Å |
| 4 | F | 96.9 | Very high | 94.9 | Very high | 60 Ų | 60 | 71.8 Ų | 71.8 | 26% | 0.263 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127.8 | 170.3 | -57.1 | -79.2 | 0 | 0 | 0 | 109.6 | H11 T12 H62 C63 T64 L65 | F4-H11 CarbonylContact C-O 3.59Å; F4-H11 WeakPolarHBondContact CA-O 3.29Å; F4-T12 HydrophobicContact CD1-CG2 3.82Å; F4-T12 HydrophobicContact CE1-CG2 3.7Å; F4-H62 HydrophobicContact CE2-CB 4.06Å; F4-C63 PolarHBondContact N-O 3.17Å; F4-T64 HydrophobicContact CB-CG2 4.15Å; F4-T64 CarbonylContact O-C 3.57Å; F4-T64 VanDerWaalsContact O-CA 3.25Å; F4-T64 WeakPolarHBondContact O-CA 3.31Å; F4-L65 PolarHBondContact O-N 3.4Å |
| 5 | L | 96.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122 | 171.8 | -57.7 | 178.3 | 0 | 0 | 0 | 107.9 | T10 H11 L13 I24 V28 L65 | L5-T10 CarbonylContact O-C 3.56Å; L5-T10 VanDerWaalsContact O-CA 3.31Å; L5-T10 WeakPolarHBondContact O-CA 3.48Å; L5-H11 HydrophobicContact CB-CB 4.36Å; L5-H11 PolarHBondContact N-O 3.38Å; L5-H11 PolarHBondContact O-N 2.73Å; L5-L13 HydrophobicContact CD1-CB 4.4Å; L5-L13 HydrophobicContact CD1-CD1 4.46Å; L5-L13 HydrophobicContact CD1-CD2 4.4Å; L5-I24 HydrophobicContact CD1-CG2 4.38Å; L5-I24 HydrophobicContact CD2-CG2 3.91Å; L5-V28 HydrophobicContact CD1-CG2 3.83Å; L5-L65 HydrophobicContact CD2-CB 3.89Å; L5-L65 HydrophobicContact CD2-CD1 3.97Å; L5-L65 HydrophobicContact CD2-CG 4.38Å |
| 6 | R | 96.3 | Very high | 94.5 | Very high | 150 Ų | 150 | 70.2 Ų | 70.2 | 57% | 0.566 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 99.2 | 179.3 | -175.4 | -179 | 177.9 | 176.8 | 0.2 | 109.5 | T64 L65 E66 V67 | R6-T64 HydrophobicContact CB-CG2 3.91Å; R6-L65 PolarHBondContact N-O 3.31Å; R6-E66 WeakPolarHBondContact O-CA 3.35Å; R6-V67 PolarHBondContact O-N 3.16Å |
| 7 | G | 92.5 | Very high | 93.9 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -120.9 | -124.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | N9 E32 | G7-N9 VanDerWaalsContact C-N 3.27Å; G7-N9 PolarHBondContact N-O 3.44Å; G7-E32 WeakPolarHBondContact CA-OE1 3.45Å |
| 8 | Q | 90.9 | Very high | 93.6 | Very high | 168 Ų | 168 | 70.7 Ų | 70.7 | 79% | 0.785 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -63.8 | -39.7 | 168.7 | -66 | -70.7 | 1.9 | 0 | 0 | 110.5 | E32 | Q8-E32 PolarHBondContact N-OE1 3.4Š|
| 9 | N | 94.1 | Very high | 93.6 | Very high | 105 Ų | 105 | 68.8 Ų | 68.8 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -122.2 | 169.5 | 173.3 | -67.6 | -48 | 0 | 0 | 0 | 109.9 | G7 E32 | G7-N9 VanDerWaalsContact C-N 3.27Å; G7-N9 PolarHBondContact N-O 3.44Å; N9-E32 PolarHBondContact N-OE1 3.3Å; N9-E32 VanDerWaalsContact N-OE1 3.09Å |
| 10 | T | 95.9 | Very high | 93.8 | Very high | 101 Ų | 101 | 67.7 Ų | 67.7 | 62% | 0.62 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 124.7 | 171.4 | -55.6 | 0 | 0 | 0 | 0 | 109.3 | L5 | L5-T10 CarbonylContact O-C 3.56Å; L5-T10 VanDerWaalsContact O-CA 3.31Å; L5-T10 WeakPolarHBondContact O-CA 3.48Å |
| 11 | H | 96.2 | Very high | 93.9 | Very high | 42 Ų | 42 | 64.5 Ų | 64.5 | 19% | 0.194 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145.9 | 179.5 | -59.3 | -74.5 | 0 | 0 | 0 | 110.8 | F4 L5 L31 E32 | F4-H11 CarbonylContact C-O 3.59Å; F4-H11 WeakPolarHBondContact CA-O 3.29Å; L5-H11 HydrophobicContact CB-CB 4.36Å; L5-H11 PolarHBondContact N-O 3.38Å; L5-H11 PolarHBondContact O-N 2.73Å; H11-L31 HydrophobicContact CB-CD1 4.04Å; H11-E32 IonicContact CD2-OE1 3.86Å; H11-E32 IonicContact NE2-OE1 3.72Å |
| 12 | T | 96.6 | Very high | 94.1 | Very high | 92 Ų | 92 | 63.1 Ų | 63.1 | 56% | 0.564 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 131.5 | 170.1 | 52 | 0 | 0 | 0 | 0 | 109.7 | L3 F4 | L3-T12 CarbonylContact O-C 3.58Å; L3-T12 WeakPolarHBondContact O-CA 3.5Å; F4-T12 HydrophobicContact CD1-CG2 3.82Å; F4-T12 HydrophobicContact CE1-CG2 3.7Å |
| 13 | L | 95 | Very high | 94.1 | Very high | 18 Ų | 18 | 65 Ų | 65 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.5 | -179.6 | -161 | 86.8 | 0 | 0 | 0 | 109.8 | Q2 L3 L5 V15 I24 H27 | Q2-L13 CarbonylContact C-O 3.6Å; Q2-L13 WeakPolarHBondContact CA-O 3.23Å; L3-L13 PolarHBondContact N-O 3.24Å; L3-L13 PolarHBondContact O-N 2.91Å; L5-L13 HydrophobicContact CD1-CB 4.4Å; L5-L13 HydrophobicContact CD1-CD1 4.46Å; L5-L13 HydrophobicContact CD1-CD2 4.4Å; L13-V15 HydrophobicContact CB-CG1 4.5Å; L13-V15 HydrophobicContact CD2-CG1 3.24Å; L13-V15 HydrophobicContact CG-CG1 3.8Å; L13-I24 HydrophobicContact CD2-CD1 3.64Å; L13-H27 HydrophobicContact CD1-CB 4.09Å |
| 14 | E | 94.8 | Very high | 94.1 | Very high | 132 Ų | 132 | 65 Ų | 65 | 62% | 0.617 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.1 | 169.3 | -81.5 | -65.3 | 162.9 | 0 | 0 | 109.6 | M1 Q2 | M1-E14 PolarHBondContact N-OE2 3.18Å; Q2-E14 WeakPolarHBondContact CB-OE1 3.47Å |
| 15 | V | 93.2 | Very high | 94 | Very high | 10 Ų | 10 | 62.5 Ų | 62.5 | 6% | 0.061 | 33% | 0.33 | C | S | . | . | trans | -136.6 | 158.4 | -177.3 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | M1 L3 L13 E19 I24 L54 | M1-V15 HydrophobicContact CE-CG2 3.54Å; M1-V15 HydrophobicContact CG-CG2 3.51Å; M1-V15 WeakPolarHBondContact CG-O 3.26Å; M1-V15 PolarHBondContact N-O 2.76Å; M1-V15 WeakPolarHBondContact O-CG2 3.37Å; M1-V15 PolarHBondContact O-N 3.49Å; M1-V15 HydrophobicContact SD-CG2 4.35Å; L3-V15 HydrophobicContact CD1-CG2 3.61Å; L3-V15 HydrophobicContact CG-CG2 3.91Å; L13-V15 HydrophobicContact CB-CG1 4.5Å; L13-V15 HydrophobicContact CD2-CG1 3.24Å; L13-V15 HydrophobicContact CG-CG1 3.8Å; V15-E19 WeakPolarHBondContact CB-OE2 3.43Å; V15-I24 HydrophobicContact CG1-CD1 3.96Å; V15-L54 HydrophobicContact CB-CD1 4.42Å; V15-L54 HydrophobicContact CG2-CD1 3.96Å | ||
| 16 | T | 90.4 | Very high | 94 | Very high | 108 Ų | 108 | 64.9 Ų | 64.9 | 66% | 0.663 | 35% | 0.35 | S | S | * | . | trans | -83 | -16.4 | 177.4 | 64.4 | 0 | 0 | 0 | 0 | 113 | Q18 E19 | T16-Q18 VanDerWaalsContact C-N 3.29Å; T16-E19 WeakPolarHBondContact CB-OE1 3.41Å; T16-E19 VanDerWaalsContact N-CD 3.32Å; T16-E19 PolarHBondContact N-OE1 3.13Å; T16-E19 PolarHBondContact N-OE2 2.8Å; T16-E19 VanDerWaalsContact N-OE2 3.09Å; T16-E19 PolarHBondContact OG1-OE1 3.05Å; T16-E19 PolarHBondContact OG1-OE2 2.95Å | ||
| 17 | G | 83.9 | Confident | 94 | Very high | 6 Ų | 6 | 62 Ų | 62 | 6% | 0.062 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 87.5 | -8.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E19 A55 | G17-E19 WeakPolarHBondContact CA-OE2 3.48Å; G17-E19 PolarHBondContact N-OE2 3.4Å; G17-A55 PolarHBondContact O-N 3.09Å |
| 18 | Q | 90.1 | Very high | 94.1 | Very high | 143 Ų | 143 | 60.8 Ų | 60.8 | 67% | 0.668 | 33% | 0.329 | S | S | * | . | trans | -93 | -7.5 | 174.9 | -62.2 | -59.7 | -46.2 | 0 | 0 | 112.5 | T16 | T16-Q18 VanDerWaalsContact C-N 3.29Š| ||
| 19 | E | 93.6 | Very high | 94.3 | Very high | 35 Ų | 35 | 56.6 Ų | 56.6 | 16% | 0.164 | 31% | 0.31 | C | S | . | . | trans | -61.5 | 150.7 | 177.3 | -63.5 | 79.7 | -174.7 | 0 | 0 | 111.1 | V15 T16 G17 Q23 I24 S53 L54 | V15-E19 WeakPolarHBondContact CB-OE2 3.43Å; T16-E19 WeakPolarHBondContact CB-OE1 3.41Å; T16-E19 VanDerWaalsContact N-CD 3.32Å; T16-E19 PolarHBondContact N-OE1 3.13Å; T16-E19 PolarHBondContact N-OE2 2.8Å; T16-E19 VanDerWaalsContact N-OE2 3.09Å; T16-E19 PolarHBondContact OG1-OE1 3.05Å; T16-E19 PolarHBondContact OG1-OE2 2.95Å; G17-E19 WeakPolarHBondContact CA-OE2 3.48Å; G17-E19 PolarHBondContact N-OE2 3.4Å; E19-Q23 HydrophobicContact CB-CB 4.42Å; E19-Q23 VanDerWaalsContact CB-OE1 3.25Å; E19-I24 HydrophobicContact CB-CD1 4.24Å; E19-S53 CarbonylContact O-C 3.5Å; E19-S53 WeakPolarHBondContact O-CA 3.25Å; E19-L54 HydrophobicContact CB-CD1 4.13Å; E19-L54 WeakPolarHBondContact O-CG 3.39Å; E19-L54 PolarHBondContact O-N 3.18Å | ||
| 20 | T | 96.3 | Very high | 94.3 | Very high | 47 Ų | 47 | 55.7 Ų | 55.7 | 29% | 0.288 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -85 | 156 | 171.7 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | G22 Q23 I24 A52 | T20-G22 PolarHBondContact O-N 3.4Å; T20-Q23 WeakPolarHBondContact O-CB 3.44Å; T20-Q23 PolarHBondContact O-N 3.3Å; T20-Q23 WeakPolarHBondContact OG1-CG 3.31Å; T20-Q23 PolarHBondContact OG1-N 3.2Å; T20-I24 PolarHBondContact O-N 3.08Å; T20-A52 WeakPolarHBondContact CA-O 3.47Å |
| 21 | V | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.3 | -36.5 | 173.5 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | Q23 I24 K25 L41 L48 E49 A52 | V21-Q23 VanDerWaalsContact C-N 3.33Å; V21-Q23 PolarHBondContact O-N 3.19Å; V21-I24 PolarHBondContact O-N 3.45Å; V21-K25 WeakPolarHBondContact O-CG 3.4Å; V21-K25 PolarHBondContact O-N 3.17Å; V21-L41 HydrophobicContact CG1-CB 4.27Å; V21-L41 HydrophobicContact CG1-CD1 3.89Å; V21-L48 HydrophobicContact CB-CB 4.46Å; V21-L48 HydrophobicContact CG1-CB 3.8Å; V21-L48 HydrophobicContact CG2-CB 3.8Å; V21-L48 HydrophobicContact CG2-CD1 4.09Å; V21-E49 WeakPolarHBondContact CB-O 3.44Å; V21-E49 WeakPolarHBondContact CG2-O 3.31Å; V21-A52 WeakPolarHBondContact CG2-O 3.47Å; V21-A52 PolarHBondContact N-O 3.16Å |
| 22 | G | 95.8 | Very high | 94.1 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -37.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T20 K25 A26 N50 | T20-G22 PolarHBondContact O-N 3.4Å; G22-K25 PolarHBondContact O-N 3.09Å; G22-A26 PolarHBondContact O-N 3.34Å; G22-A26 VanDerWaalsContact O-N 3.1Å; G22-N50 PolarHBondContact N-O 2.76Å |
| 23 | Q | 95.8 | Very high | 93.8 | Very high | 95 Ų | 95 | 53.6 Ų | 53.6 | 44% | 0.444 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 174.6 | -70.2 | 168.5 | -24.1 | 0 | 0 | 111.3 | E19 T20 V21 K25 A26 H27 | E19-Q23 HydrophobicContact CB-CB 4.42Å; E19-Q23 VanDerWaalsContact CB-OE1 3.25Å; T20-Q23 WeakPolarHBondContact O-CB 3.44Å; T20-Q23 PolarHBondContact O-N 3.3Å; T20-Q23 WeakPolarHBondContact OG1-CG 3.31Å; T20-Q23 PolarHBondContact OG1-N 3.2Å; V21-Q23 VanDerWaalsContact C-N 3.33Å; V21-Q23 PolarHBondContact O-N 3.19Å; Q23-K25 VanDerWaalsContact C-N 3.33Å; Q23-K25 PolarHBondContact O-N 2.78Å; Q23-A26 WeakPolarHBondContact O-CB 3.4Å; Q23-A26 PolarHBondContact O-N 3.21Å; Q23-H27 PolarHBondContact O-CD2 2.9Å; Q23-H27 PolarHBondContact O-N 3.09Å; Q23-H27 VanDerWaalsContact O-N 3.13Å |
| 24 | I | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 174.6 | -55.8 | -47.3 | 0 | 0 | 0 | 111.4 | L5 L13 V15 E19 T20 V21 A26 H27 V28 L41 L54 L65 | L5-I24 HydrophobicContact CD1-CG2 4.38Å; L5-I24 HydrophobicContact CD2-CG2 3.91Å; L13-I24 HydrophobicContact CD2-CD1 3.64Å; V15-I24 HydrophobicContact CG1-CD1 3.96Å; E19-I24 HydrophobicContact CB-CD1 4.24Å; T20-I24 PolarHBondContact O-N 3.08Å; V21-I24 PolarHBondContact O-N 3.45Å; I24-A26 VanDerWaalsContact C-N 3.28Å; I24-A26 PolarHBondContact O-N 2.76Å; I24-H27 WeakPolarHBondContact O-CB 3.36Å; I24-H27 PolarHBondContact O-N 2.77Å; I24-H27 VanDerWaalsContact O-N 3.13Å; I24-V28 WeakPolarHBondContact O-CG2 3.34Å; I24-V28 PolarHBondContact O-N 2.64Å; I24-L41 HydrophobicContact CB-CD1 3.85Å; I24-L41 HydrophobicContact CG2-CD1 3.66Å; I24-L54 HydrophobicContact CD1-CD1 4.01Å; I24-L54 HydrophobicContact CG1-CD1 3.99Å; I24-L54 HydrophobicContact CG1-CD2 3.96Å; I24-L54 HydrophobicContact CG1-CG 4.3Å; I24-L65 HydrophobicContact CG2-CD1 4.29Å |
| 25 | K | 95.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.035 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.1 | -36.9 | 173.5 | -70 | -173.8 | 179.5 | -175.2 | 0 | 112.9 | V21 G22 Q23 H27 V28 Q29 V36 Q39 L41 N50 | V21-K25 WeakPolarHBondContact O-CG 3.4Å; V21-K25 PolarHBondContact O-N 3.17Å; G22-K25 PolarHBondContact O-N 3.09Å; Q23-K25 VanDerWaalsContact C-N 3.33Å; Q23-K25 PolarHBondContact O-N 2.78Å; K25-H27 VanDerWaalsContact C-N 3.34Å; K25-V28 PolarHBondContact O-N 3.38Å; K25-Q29 PolarHBondContact O-N 2.96Å; K25-V36 HydrophobicContact CB-CB 4.44Å; K25-V36 HydrophobicContact CB-CG1 3.92Å; K25-V36 HydrophobicContact CB-CG2 4.06Å; K25-V36 HydrophobicContact CD-CG1 4.14Å; K25-Q39 HydrophobicContact CD-CB 4.18Å; K25-Q39 HydrophobicContact CG-CB 4.32Å; K25-Q39 PolarHBondContact NZ-O 2.84Å; K25-Q39 PolarHBondContact O-NE2 2.98Å; K25-Q39 PolarHBondContact O-OE1 2.87Å; K25-Q39 VanDerWaalsContact O-OE1 3.07Å; K25-L41 HydrophobicContact CG-CD1 3.52Å; K25-L41 HydrophobicContact CG-CG 3.81Å; K25-N50 WeakPolarHBondContact CD-OD1 3.4Å; K25-N50 VanDerWaalsContact CE-OD1 3.25Å; K25-N50 WeakPolarHBondContact CE-OD1 3.46Å; K25-N50 PolarHBondContact NZ-OD1 3.13Å |
| 26 | A | 95.9 | Very high | 93.5 | Very high | 52 Ų | 52 | 55.2 Ų | 55.2 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G22 Q23 I24 Q29 A30 | G22-A26 PolarHBondContact O-N 3.34Å; G22-A26 VanDerWaalsContact O-N 3.1Å; Q23-A26 WeakPolarHBondContact O-CB 3.4Å; Q23-A26 PolarHBondContact O-N 3.21Å; I24-A26 VanDerWaalsContact C-N 3.28Å; I24-A26 PolarHBondContact O-N 2.76Å; A26-Q29 PolarHBondContact O-N 2.92Å; A26-A30 PolarHBondContact O-N 2.81Å; A26-A30 VanDerWaalsContact O-N 3.1Å |
| 27 | H | 94.8 | Very high | 93.5 | Very high | 89 Ų | 89 | 58 Ų | 58 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 172.4 | -74.3 | -70.9 | 0 | 0 | 0 | 112.3 | L13 Q23 I24 K25 Q29 A30 L31 | L13-H27 HydrophobicContact CD1-CB 4.09Å; Q23-H27 PolarHBondContact O-CD2 2.9Å; Q23-H27 PolarHBondContact O-N 3.09Å; Q23-H27 VanDerWaalsContact O-N 3.13Å; I24-H27 WeakPolarHBondContact O-CB 3.36Å; I24-H27 PolarHBondContact O-N 2.77Å; I24-H27 VanDerWaalsContact O-N 3.13Å; K25-H27 VanDerWaalsContact C-N 3.34Å; H27-Q29 VanDerWaalsContact C-N 3.3Å; H27-Q29 PolarHBondContact O-N 2.83Å; H27-A30 PolarHBondContact O-N 2.82Å; H27-A30 VanDerWaalsContact O-N 3.17Å; H27-L31 WeakPolarHBondContact O-CG 3.26Å; H27-L31 PolarHBondContact O-N 2.87Å |
| 28 | V | 95.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 174.7 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | L5 I24 K25 A30 L31 E32 Q39 L41 V67 | L5-V28 HydrophobicContact CD1-CG2 3.83Å; I24-V28 WeakPolarHBondContact O-CG2 3.34Å; I24-V28 PolarHBondContact O-N 2.64Å; K25-V28 PolarHBondContact O-N 3.38Å; V28-A30 VanDerWaalsContact C-N 3.3Å; V28-A30 PolarHBondContact O-N 2.94Å; V28-L31 PolarHBondContact O-N 3.19Å; V28-E32 PolarHBondContact O-N 2.82Å; V28-Q39 HydrophobicContact CG1-CG 4.25Å; V28-L41 HydrophobicContact CG2-CD2 4.27Å; V28-V67 HydrophobicContact CG1-CG1 3.63Å; V28-V67 HydrophobicContact CG1-CG2 4.18Å; V28-V67 HydrophobicContact CG2-CG2 3.91Å |
| 29 | Q | 95.6 | Very high | 94.1 | Very high | 79 Ų | 79 | 53.3 Ų | 53.3 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 176 | -179.4 | 173.9 | -48.6 | 0 | 0 | 111.6 | K25 A26 H27 G33 L34 V36 | K25-Q29 PolarHBondContact O-N 2.96Å; A26-Q29 PolarHBondContact O-N 2.92Å; H27-Q29 VanDerWaalsContact C-N 3.3Å; H27-Q29 PolarHBondContact O-N 2.83Å; Q29-G33 WeakPolarHBondContact O-CA 3.25Å; Q29-G33 PolarHBondContact O-N 3.26Å; Q29-L34 VanDerWaalsContact CA-O 3.28Å; Q29-L34 WeakPolarHBondContact CA-O 3.42Å; Q29-L34 VanDerWaalsContact CB-O 3.24Å; Q29-L34 WeakPolarHBondContact CB-O 3.4Å; Q29-L34 WeakPolarHBondContact CG-O 3.39Å; Q29-V36 HydrophobicContact CB-CG2 4.29Å |
| 30 | A | 94.7 | Very high | 94.1 | Very high | 87 Ų | 87 | 53 Ų | 53 | 72% | 0.719 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.4 | -33.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A26 H27 V28 | A26-A30 PolarHBondContact O-N 2.81Å; A26-A30 VanDerWaalsContact O-N 3.1Å; H27-A30 PolarHBondContact O-N 2.82Å; H27-A30 VanDerWaalsContact O-N 3.17Å; V28-A30 VanDerWaalsContact C-N 3.3Å; V28-A30 PolarHBondContact O-N 2.94Å |
| 31 | L | 93.8 | Very high | 94.1 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -85.3 | -42.7 | -177.1 | -67.9 | 170.3 | 0 | 0 | 0 | 113.3 | H11 H27 V28 | H11-L31 HydrophobicContact CB-CD1 4.04Å; H27-L31 WeakPolarHBondContact O-CG 3.26Å; H27-L31 PolarHBondContact O-N 2.87Å; V28-L31 PolarHBondContact O-N 3.19Å |
| 32 | E | 93 | Very high | 94.1 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -111.5 | -9.4 | -172.3 | -60.1 | -164.2 | 149.5 | 0 | 0 | 113.6 | G7 Q8 N9 H11 V28 L34 | G7-E32 WeakPolarHBondContact CA-OE1 3.45Å; Q8-E32 PolarHBondContact N-OE1 3.4Å; N9-E32 PolarHBondContact N-OE1 3.3Å; N9-E32 VanDerWaalsContact N-OE1 3.09Å; H11-E32 IonicContact CD2-OE1 3.86Å; H11-E32 IonicContact NE2-OE1 3.72Å; V28-E32 PolarHBondContact O-N 2.82Å; E32-L34 PolarHBondContact O-N 3.27Å |
| 33 | G | 91.6 | Very high | 94.1 | Very high | 60 Ų | 60 | 52.7 Ų | 52.7 | 62% | 0.619 | 30% | 0.3 | S | S | * | . | trans | 74.3 | 6 | -180 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q29 | Q29-G33 WeakPolarHBondContact O-CA 3.25Å; Q29-G33 PolarHBondContact O-N 3.26Å | ||
| 34 | L | 90.6 | Very high | 94 | Very high | 51 Ų | 51 | 52.8 Ų | 52.8 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | trans | -78.1 | 127.8 | 177.1 | -171.3 | 60.5 | 0 | 0 | 0 | 109.8 | Q29 E32 D38 Q39 V67 | Q29-L34 VanDerWaalsContact CA-O 3.28Å; Q29-L34 WeakPolarHBondContact CA-O 3.42Å; Q29-L34 VanDerWaalsContact CB-O 3.24Å; Q29-L34 WeakPolarHBondContact CB-O 3.4Å; Q29-L34 WeakPolarHBondContact CG-O 3.39Å; E32-L34 PolarHBondContact O-N 3.27Å; L34-D38 HydrophobicContact CD1-CB 4.04Å; L34-D38 HydrophobicContact CG-CB 4.44Å; L34-Q39 HydrophobicContact CB-CG 4.17Å; L34-Q39 HydrophobicContact CD2-CG 3.68Å; L34-Q39 HydrophobicContact CG-CG 3.74Å; L34-Q39 PolarHBondContact O-NE2 2.83Å; L34-V67 HydrophobicContact CD2-CG1 4.41Å | ||
| 35 | L | 92.3 | Very high | 93.9 | Very high | 100 Ų | 100 | 55 Ų | 55 | 52% | 0.524 | 34% | 0.34 | S | S | . | . | trans | -62.9 | 139.8 | 180 | -66 | 175.6 | 0 | 0 | 0 | 111.2 | E37 D38 Q39 | L35-E37 PolarHBondContact O-N 2.95Å; L35-E37 VanDerWaalsContact O-N 3.09Å; L35-D38 PolarHBondContact O-N 3.25Å; L35-Q39 WeakPolarHBondContact O-CG 3.37Å; L35-Q39 PolarHBondContact O-N 3.21Å | ||
| 36 | V | 93.3 | Very high | 93.8 | Very high | 42 Ų | 42 | 58.5 Ų | 58.5 | 26% | 0.255 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -50.8 | -37.5 | -179.6 | 169.2 | 0 | 0 | 0 | 0 | 113 | K25 Q29 D38 Q39 | K25-V36 HydrophobicContact CB-CB 4.44Å; K25-V36 HydrophobicContact CB-CG1 3.92Å; K25-V36 HydrophobicContact CB-CG2 4.06Å; K25-V36 HydrophobicContact CD-CG1 4.14Å; Q29-V36 HydrophobicContact CB-CG2 4.29Å; V36-D38 VanDerWaalsContact C-N 3.3Å; V36-D38 PolarHBondContact O-N 3.01Å; V36-Q39 PolarHBondContact O-N 3.41Å |
| 37 | E | 90.8 | Very high | 93.7 | Very high | 168 Ų | 168 | 60.1 Ų | 60.1 | 79% | 0.785 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -66.1 | -32.9 | -179.7 | -59.9 | -173 | 178.2 | 0 | 0 | 112.8 | L35 Q39 R70 | L35-E37 PolarHBondContact O-N 2.95Å; L35-E37 VanDerWaalsContact O-N 3.09Å; E37-Q39 VanDerWaalsContact C-N 3.31Å; E37-R70 VanDerWaalsContact O-CD 3.31Å; E37-R70 WeakPolarHBondContact O-CD 3.16Å; E37-R70 PolarHBondContact O-NE 2.93Å |
| 38 | D | 91.6 | Very high | 93.8 | Very high | 49 Ų | 49 | 56.9 Ų | 56.9 | 26% | 0.262 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -85.7 | -4.3 | 179.4 | -67.2 | -33.6 | 0 | 0 | 0 | 112.5 | L34 L35 V36 G69 R70 | L34-D38 HydrophobicContact CD1-CB 4.04Å; L34-D38 HydrophobicContact CG-CB 4.44Å; L35-D38 PolarHBondContact O-N 3.25Å; V36-D38 VanDerWaalsContact C-N 3.3Å; V36-D38 PolarHBondContact O-N 3.01Å; D38-G69 CarbonylContact O-C 3.46Å; D38-G69 VanDerWaalsContact O-CA 3.3Å; D38-G69 WeakPolarHBondContact O-CA 3.24Å; D38-R70 PolarHBondContact O-N 3.32Å |
| 39 | Q | 93.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 137.7 | -179.8 | -65.9 | 172.8 | 32 | 0 | 0 | 113.2 | K25 V28 L34 L35 V36 E37 | K25-Q39 HydrophobicContact CD-CB 4.18Å; K25-Q39 HydrophobicContact CG-CB 4.32Å; K25-Q39 PolarHBondContact NZ-O 2.84Å; K25-Q39 PolarHBondContact O-NE2 2.98Å; K25-Q39 PolarHBondContact O-OE1 2.87Å; K25-Q39 VanDerWaalsContact O-OE1 3.07Å; V28-Q39 HydrophobicContact CG1-CG 4.25Å; L34-Q39 HydrophobicContact CB-CG 4.17Å; L34-Q39 HydrophobicContact CD2-CG 3.68Å; L34-Q39 HydrophobicContact CG-CG 3.74Å; L34-Q39 PolarHBondContact O-NE2 2.83Å; L35-Q39 WeakPolarHBondContact O-CG 3.37Å; L35-Q39 PolarHBondContact O-N 3.21Å; V36-Q39 PolarHBondContact O-N 3.41Å; E37-Q39 VanDerWaalsContact C-N 3.31Å |
| 40 | V | 94.8 | Very high | 93.7 | Very high | 30 Ų | 30 | 63.1 Ų | 63.1 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 114.3 | 165.3 | -171.9 | 0 | 0 | 0 | 0 | 107.7 | L42 P47 A68 R70 | V40-L42 HydrophobicContact CG1-CD2 4.41Å; V40-L42 HydrophobicContact CG1-CG 4.19Å; V40-P47 HydrophobicContact CG1-CB 3.77Å; V40-A68 HydrophobicContact CB-CB 4.42Å; V40-A68 PolarHBondContact N-O 2.77Å; V40-A68 PolarHBondContact O-N 2.89Å; V40-R70 HydrophobicContact CG2-CG 3.66Å |
| 41 | L | 95.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 132 | 171.8 | -68.1 | -179.4 | 0 | 0 | 0 | 108.7 | V21 I24 K25 V28 P47 L48 E66 V67 | V21-L41 HydrophobicContact CG1-CB 4.27Å; V21-L41 HydrophobicContact CG1-CD1 3.89Å; I24-L41 HydrophobicContact CB-CD1 3.85Å; I24-L41 HydrophobicContact CG2-CD1 3.66Å; K25-L41 HydrophobicContact CG-CD1 3.52Å; K25-L41 HydrophobicContact CG-CG 3.81Å; V28-L41 HydrophobicContact CG2-CD2 4.27Å; L41-P47 WeakPolarHBondContact O-CA 3.45Å; L41-L48 PolarHBondContact O-N 3.41Å; L41-E66 CarbonylContact C-O 3.58Å; L41-E66 WeakPolarHBondContact CA-O 3.35Å; L41-V67 HydrophobicContact CD2-CB 4.31Å; L41-V67 HydrophobicContact CD2-CG1 4.4Å; L41-V67 HydrophobicContact CD2-CG2 3.69Å |
| 42 | L | 96.6 | Very high | 93.6 | Very high | 26 Ų | 26 | 63.5 Ų | 63.5 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139.4 | -179.1 | -55 | 123.2 | 0 | 0 | 0 | 110.6 | V40 G45 C46 P47 L65 E66 A68 | V40-L42 HydrophobicContact CG1-CD2 4.41Å; V40-L42 HydrophobicContact CG1-CG 4.19Å; L42-G45 WeakPolarHBondContact CD2-O 3.41Å; L42-C46 VanDerWaalsContact CA-O 3.26Å; L42-C46 WeakPolarHBondContact CA-O 3.18Å; L42-P47 HydrophobicContact CD2-CB 4.17Å; L42-L65 WeakPolarHBondContact O-CA 3.39Å; L42-E66 HydrophobicContact CB-CB 4.25Å; L42-E66 HydrophobicContact CD1-CB 4.28Å; L42-E66 PolarHBondContact N-O 2.74Å; L42-E66 PolarHBondContact O-N 3.35Å; L42-A68 HydrophobicContact CD1-CB 3.69Å |
| 43 | L | 95.8 | Very high | 93.7 | Very high | 35 Ų | 35 | 62.6 Ų | 62.6 | 18% | 0.183 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 119.8 | 164.9 | -178.4 | 67.4 | 0 | 0 | 0 | 107.9 | G45 C46 L48 C57 V59 C63 L65 | L43-G45 PolarHBondContact O-N 3.47Å; L43-C46 PolarHBondContact N-O 2.93Å; L43-C46 WeakPolarHBondContact O-CB 3.35Å; L43-C46 PolarHBondContact O-N 3.1Å; L43-L48 HydrophobicContact CB-CD1 4.26Å; L43-L48 HydrophobicContact CB-CD2 4.15Å; L43-L48 HydrophobicContact CB-CG 4.42Å; L43-C57 VanDerWaalsContact CD2-O 3.29Å; L43-C57 WeakPolarHBondContact CD2-O 3.4Å; L43-V59 HydrophobicContact CD2-CG2 4.02Å; L43-C63 HydrophobicContact CD1-CB 4.48Å; L43-L65 HydrophobicContact CB-CD2 4.03Å; L43-L65 HydrophobicContact CD1-CD2 3.93Å |
| 44 | A | 93.3 | Very high | 93.8 | Very high | 98 Ų | 98 | 59.8 Ų | 59.8 | 81% | 0.81 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 37.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | C46 | A44-C46 VanDerWaalsContact C-N 3.26Å; A44-C46 PolarHBondContact O-N 2.96Å |
| 45 | G | 92.7 | Very high | 93.8 | Very high | 46 Ų | 46 | 60 Ų | 60 | 47% | 0.474 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -2.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | L42 L43 | L42-G45 WeakPolarHBondContact CD2-O 3.41Å; L43-G45 PolarHBondContact O-N 3.47Å |
| 46 | C | 93.9 | Very high | 93.8 | Very high | 81 Ų | 81 | 60.3 Ų | 60.3 | 55% | 0.547 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.5 | 176.1 | -68.2 | 0 | 0 | 0 | 0 | 110.7 | L42 L43 A44 | L42-C46 VanDerWaalsContact CA-O 3.26Å; L42-C46 WeakPolarHBondContact CA-O 3.18Å; L43-C46 PolarHBondContact N-O 2.93Å; L43-C46 WeakPolarHBondContact O-CB 3.35Å; L43-C46 PolarHBondContact O-N 3.1Å; A44-C46 VanDerWaalsContact C-N 3.26Å; A44-C46 PolarHBondContact O-N 2.96Å |
| 47 | P | 95.4 | Very high | 93.7 | Very high | 86 Ų | 86 | 59.7 Ų | 59.7 | 56% | 0.558 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 139 | -179.6 | 28.6 | -34.1 | 0 | 0 | 0 | 110.9 | V40 L41 L42 | V40-P47 HydrophobicContact CG1-CB 3.77Å; L41-P47 WeakPolarHBondContact O-CA 3.45Å; L42-P47 HydrophobicContact CD2-CB 4.17Å |
| 48 | L | 95.3 | Very high | 93.8 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.115 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -97.5 | 138.5 | 179.5 | -57.6 | -176.2 | 0 | 0 | 0 | 111.3 | V21 L41 L43 C57 V59 L65 | V21-L48 HydrophobicContact CB-CB 4.46Å; V21-L48 HydrophobicContact CG1-CB 3.8Å; V21-L48 HydrophobicContact CG2-CB 3.8Å; V21-L48 HydrophobicContact CG2-CD1 4.09Å; L41-L48 PolarHBondContact O-N 3.41Å; L43-L48 HydrophobicContact CB-CD1 4.26Å; L43-L48 HydrophobicContact CB-CD2 4.15Å; L43-L48 HydrophobicContact CB-CG 4.42Å; L48-C57 HydrophobicContact CD1-CB 4.27Å; L48-C57 HydrophobicContact CD2-CB 3.88Å; L48-V59 HydrophobicContact CD1-CG2 4.44Å; L48-L65 HydrophobicContact CD1-CD2 3.97Å |
| 49 | E | 94.6 | Very high | 93.9 | Very high | 147 Ų | 147 | 52 Ų | 52 | 69% | 0.687 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 143.2 | 177.5 | -68.1 | -63.1 | 164.5 | 0 | 0 | 111.6 | V21 D51 A52 | V21-E49 WeakPolarHBondContact CB-O 3.44Å; V21-E49 WeakPolarHBondContact CG2-O 3.31Å; E49-D51 VanDerWaalsContact C-N 3.3Å; E49-D51 PolarHBondContact O-N 3.18Å; E49-A52 HydrophobicContact CB-CB 4.47Å; E49-A52 PolarHBondContact O-N 3.13Å |
| 50 | N | 93.6 | Very high | 93.9 | Very high | 66 Ų | 66 | 56.1 Ų | 56.1 | 35% | 0.353 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -37.5 | -172.9 | -72.7 | -16.9 | 0 | 0 | 0 | 113.8 | G22 K25 A52 | G22-N50 PolarHBondContact N-O 2.76Å; K25-N50 WeakPolarHBondContact CD-OD1 3.4Å; K25-N50 VanDerWaalsContact CE-OD1 3.25Å; K25-N50 WeakPolarHBondContact CE-OD1 3.46Å; K25-N50 PolarHBondContact NZ-OD1 3.13Å; N50-A52 VanDerWaalsContact C-N 3.34Å |
| 51 | D | 94.1 | Very high | 93.8 | Very high | 155 Ų | 155 | 60.2 Ų | 60.2 | 83% | 0.829 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -8.8 | -173.4 | -59.8 | -33.7 | 0 | 0 | 0 | 113 | E49 | E49-D51 VanDerWaalsContact C-N 3.3Å; E49-D51 PolarHBondContact O-N 3.18Å |
| 52 | A | 94.3 | Very high | 93.8 | Very high | 27 Ų | 27 | 65.3 Ų | 65.3 | 22% | 0.223 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -76.7 | 140.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | T20 V21 E49 N50 C57 | T20-A52 WeakPolarHBondContact CA-O 3.47Å; V21-A52 WeakPolarHBondContact CG2-O 3.47Å; V21-A52 PolarHBondContact N-O 3.16Å; E49-A52 HydrophobicContact CB-CB 4.47Å; E49-A52 PolarHBondContact O-N 3.13Å; N50-A52 VanDerWaalsContact C-N 3.34Å; A52-C57 WeakPolarHBondContact CB-SG 3.41Å |
| 53 | S | 94.4 | Very high | 93.7 | Very high | 25 Ų | 25 | 65.2 Ų | 65.2 | 18% | 0.175 | 41% | 0.407 | C | S | . | . | B | Isolated β-bridge | trans | -75.6 | 152.4 | 170.9 | 73.2 | 0 | 0 | 0 | 0 | 110.8 | E19 A55 T56 C57 | E19-S53 CarbonylContact O-C 3.5Å; E19-S53 WeakPolarHBondContact O-CA 3.25Å; S53-A55 VanDerWaalsContact C-N 3.27Å; S53-A55 PolarHBondContact O-N 3.38Å; S53-T56 PolarHBondContact N-OG1 3.31Å; S53-T56 VanDerWaalsContact N-OG1 3.09Å; S53-T56 PolarHBondContact O-N 2.84Å; S53-T56 VanDerWaalsContact O-N 3.16Å; S53-T56 PolarHBondContact O-OG1 3.18Å; S53-T56 WeakPolarHBondContact OG-CB 3.45Å; S53-T56 VanDerWaalsContact OG-CG2 3.31Å; S53-T56 WeakPolarHBondContact OG-CG2 3.41Å; S53-T56 PolarHBondContact OG-N 3.25Å; S53-T56 PolarHBondContact OG-OG1 3.24Å; S53-C57 PolarHBondContact O-N 3.07Å; S53-C57 VanDerWaalsContact O-N 3.08Å; S53-C57 PolarHBondContact O-SG 2.96Å |
| 54 | L | 93.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -42.1 | 176.5 | -68.1 | 177.2 | 0 | 0 | 0 | 112.2 | M1 L3 V15 E19 I24 T56 C57 G58 V59 L65 | M1-L54 HydrophobicContact CE-CB 4.39Å; M1-L54 HydrophobicContact CE-CD1 4.15Å; L3-L54 HydrophobicContact CD1-CD1 4.01Å; V15-L54 HydrophobicContact CB-CD1 4.42Å; V15-L54 HydrophobicContact CG2-CD1 3.96Å; E19-L54 HydrophobicContact CB-CD1 4.13Å; E19-L54 WeakPolarHBondContact O-CG 3.39Å; E19-L54 PolarHBondContact O-N 3.18Å; I24-L54 HydrophobicContact CD1-CD1 4.01Å; I24-L54 HydrophobicContact CG1-CD1 3.99Å; I24-L54 HydrophobicContact CG1-CD2 3.96Å; I24-L54 HydrophobicContact CG1-CG 4.3Å; L54-T56 PolarHBondContact O-N 2.97Å; L54-C57 PolarHBondContact O-N 2.74Å; L54-G58 PolarHBondContact O-N 3.31Å; L54-V59 HydrophobicContact CB-CB 4.09Å; L54-V59 HydrophobicContact CB-CG2 4.43Å; L54-V59 HydrophobicContact CD2-CB 4.35Å; L54-V59 HydrophobicContact CD2-CG1 4.42Å; L54-V59 HydrophobicContact CD2-CG2 4.01Å; L54-V59 WeakPolarHBondContact O-CB 3.4Å; L54-V59 PolarHBondContact O-N 3.43Å; L54-L65 HydrophobicContact CD2-CD1 4.39Å |
| 55 | A | 91.2 | Very high | 93.9 | Very high | 55 Ų | 55 | 62.1 Ų | 62.1 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | G17 S53 C57 G58 | G17-A55 PolarHBondContact O-N 3.09Å; S53-A55 VanDerWaalsContact C-N 3.27Å; S53-A55 PolarHBondContact O-N 3.38Å; A55-C57 VanDerWaalsContact C-N 3.28Å; A55-C57 PolarHBondContact O-N 2.88Å; A55-G58 PolarHBondContact O-N 2.78Å; A55-G58 VanDerWaalsContact O-N 3.16Å |
| 56 | T | 92.6 | Very high | 94.1 | Very high | 106 Ų | 106 | 64 Ų | 64 | 65% | 0.65 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -26.1 | 178.7 | 49 | 0 | 0 | 0 | 0 | 113.4 | S53 L54 G58 | S53-T56 PolarHBondContact N-OG1 3.31Å; S53-T56 VanDerWaalsContact N-OG1 3.09Å; S53-T56 PolarHBondContact O-N 2.84Å; S53-T56 VanDerWaalsContact O-N 3.16Å; S53-T56 PolarHBondContact O-OG1 3.18Å; S53-T56 WeakPolarHBondContact OG-CB 3.45Å; S53-T56 VanDerWaalsContact OG-CG2 3.31Å; S53-T56 WeakPolarHBondContact OG-CG2 3.41Å; S53-T56 PolarHBondContact OG-N 3.25Å; S53-T56 PolarHBondContact OG-OG1 3.24Å; L54-T56 PolarHBondContact O-N 2.97Å; T56-G58 PolarHBondContact O-N 2.9Å |
| 57 | C | 91 | Very high | 94.2 | Very high | 29 Ų | 29 | 61 Ų | 61 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -2.2 | 175.4 | -67.6 | 0 | 0 | 0 | 0 | 113.2 | L43 L48 A52 S53 L54 A55 V59 | L43-C57 VanDerWaalsContact CD2-O 3.29Å; L43-C57 WeakPolarHBondContact CD2-O 3.4Å; L48-C57 HydrophobicContact CD1-CB 4.27Å; L48-C57 HydrophobicContact CD2-CB 3.88Å; A52-C57 WeakPolarHBondContact CB-SG 3.41Å; S53-C57 PolarHBondContact O-N 3.07Å; S53-C57 VanDerWaalsContact O-N 3.08Å; S53-C57 PolarHBondContact O-SG 2.96Å; L54-C57 PolarHBondContact O-N 2.74Å; A55-C57 VanDerWaalsContact C-N 3.28Å; A55-C57 PolarHBondContact O-N 2.88Å; C57-V59 VanDerWaalsContact C-N 3.31Å; C57-V59 HydrophobicContact CB-CG2 4.01Å |
| 58 | G | 91.5 | Very high | 94.1 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 49% | 0.485 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 21.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L54 A55 T56 | L54-G58 PolarHBondContact O-N 3.31Å; A55-G58 PolarHBondContact O-N 2.78Å; A55-G58 VanDerWaalsContact O-N 3.16Å; T56-G58 PolarHBondContact O-N 2.9Å |
| 59 | V | 93.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 5% | 0.048 | 36% | 0.361 | C | S | . | . | trans | -76.9 | 125 | 175.1 | -176 | 0 | 0 | 0 | 0 | 108.5 | M1 L3 L43 L48 L54 C57 C63 L65 | M1-V59 HydrophobicContact CE-CB 4.49Å; M1-V59 HydrophobicContact CE-CG1 3.84Å; L3-V59 HydrophobicContact CD1-CG1 3.86Å; L3-V59 HydrophobicContact CD2-CG1 3.53Å; L3-V59 HydrophobicContact CG-CG1 4.36Å; L43-V59 HydrophobicContact CD2-CG2 4.02Å; L48-V59 HydrophobicContact CD1-CG2 4.44Å; L54-V59 HydrophobicContact CB-CB 4.09Å; L54-V59 HydrophobicContact CB-CG2 4.43Å; L54-V59 HydrophobicContact CD2-CB 4.35Å; L54-V59 HydrophobicContact CD2-CG1 4.42Å; L54-V59 HydrophobicContact CD2-CG2 4.01Å; L54-V59 WeakPolarHBondContact O-CB 3.4Å; L54-V59 PolarHBondContact O-N 3.43Å; C57-V59 VanDerWaalsContact C-N 3.31Å; C57-V59 HydrophobicContact CB-CG2 4.01Å; V59-C63 HydrophobicContact CG1-CB 4.01Å; V59-L65 HydrophobicContact CG2-CD2 4.06Å | ||
| 60 | T | 93.4 | Very high | 93.3 | Very high | 87 Ų | 87 | 60 Ų | 60 | 53% | 0.534 | 36% | 0.355 | S | S | . | . | trans | -120 | 174.5 | -179.2 | 61.3 | 0 | 0 | 0 | 0 | 110.9 | L3 H62 C63 | L3-T60 VanDerWaalsContact CD2-O 3.26Å; L3-T60 WeakPolarHBondContact CD2-O 3.28Å; T60-H62 PolarHBondContact O-N 2.96Å; T60-C63 PolarHBondContact N-SG 3.1Å; T60-C63 VanDerWaalsContact O-CB 3.23Å; T60-C63 WeakPolarHBondContact O-CB 3.3Å; T60-C63 PolarHBondContact O-N 3.03Å; T60-C63 VanDerWaalsContact O-N 3.13Å; T60-C63 PolarHBondContact O-SG 3.35Å; T60-C63 PolarHBondContact OG1-SG 3.24Å | ||
| 61 | E | 94.3 | Very high | 92.3 | Very high | 117 Ų | 117 | 65 Ų | 65 | 55% | 0.547 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 138.6 | 177 | -172.5 | 165.1 | -134.8 | 0 | 0 | 111.6 | M1 C63 | M1-E61 HydrophobicContact CB-CB 4.24Å; M1-E61 HydrophobicContact CB-CG 4.34Å; E61-C63 PolarHBondContact O-N 3.39Å |
| 62 | H | 94.9 | Very high | 91 | Very high | 108 Ų | 108 | 65 Ų | 65 | 50% | 0.5 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 14.7 | -174.5 | -52.4 | -55 | 0 | 0 | 0 | 115.3 | Q2 F4 T60 | Q2-H62 WeakPolarHBondContact O-CA 3.37Å; Q2-H62 PolarHBondContact O-N 3.3Å; F4-H62 HydrophobicContact CE2-CB 4.06Å; T60-H62 PolarHBondContact O-N 2.96Å |
| 63 | C | 95.1 | Very high | 89.5 | Confident | 24 Ų | 24 | 67.2 Ų | 67.2 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | trans | -65 | 147.6 | 170.2 | -82.7 | 0 | 0 | 0 | 0 | 112 | L3 F4 L43 V59 T60 E61 | L3-C63 HydrophobicContact CD2-CB 3.89Å; F4-C63 PolarHBondContact N-O 3.17Å; L43-C63 HydrophobicContact CD1-CB 4.48Å; V59-C63 HydrophobicContact CG1-CB 4.01Å; T60-C63 PolarHBondContact N-SG 3.1Å; T60-C63 VanDerWaalsContact O-CB 3.23Å; T60-C63 WeakPolarHBondContact O-CB 3.3Å; T60-C63 PolarHBondContact O-N 3.03Å; T60-C63 VanDerWaalsContact O-N 3.13Å; T60-C63 PolarHBondContact O-SG 3.35Å; T60-C63 PolarHBondContact OG1-SG 3.24Å; E61-C63 PolarHBondContact O-N 3.39Å | ||
| 64 | T | 96.6 | Very high | 88.1 | Confident | 67 Ų | 67 | 69.3 Ų | 69.3 | 41% | 0.411 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 123.6 | 171.3 | -54.4 | 0 | 0 | 0 | 0 | 109.9 | F4 R6 | F4-T64 HydrophobicContact CB-CG2 4.15Å; F4-T64 CarbonylContact O-C 3.57Å; F4-T64 VanDerWaalsContact O-CA 3.25Å; F4-T64 WeakPolarHBondContact O-CA 3.31Å; R6-T64 HydrophobicContact CB-CG2 3.91Å |
| 65 | L | 96.4 | Very high | 86.6 | Confident | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.005 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 132.1 | 170.2 | -60.7 | 176.1 | 0 | 0 | 0 | 109.1 | L3 F4 L5 R6 I24 L42 L43 L48 L54 V59 | L3-L65 HydrophobicContact CD1-CD1 4.43Å; F4-L65 PolarHBondContact O-N 3.4Å; L5-L65 HydrophobicContact CD2-CB 3.89Å; L5-L65 HydrophobicContact CD2-CD1 3.97Å; L5-L65 HydrophobicContact CD2-CG 4.38Å; R6-L65 PolarHBondContact N-O 3.31Å; I24-L65 HydrophobicContact CG2-CD1 4.29Å; L42-L65 WeakPolarHBondContact O-CA 3.39Å; L43-L65 HydrophobicContact CB-CD2 4.03Å; L43-L65 HydrophobicContact CD1-CD2 3.93Å; L48-L65 HydrophobicContact CD1-CD2 3.97Å; L54-L65 HydrophobicContact CD2-CD1 4.39Å; V59-L65 HydrophobicContact CG2-CD2 4.06Å |
| 66 | E | 96.9 | Very high | 85.4 | Confident | 84 Ų | 84 | 82.2 Ų | 82.2 | 39% | 0.393 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 132 | 174.9 | -62.2 | -179.8 | 162.7 | 0 | 0 | 109.7 | R6 L41 L42 | R6-E66 WeakPolarHBondContact O-CA 3.35Å; L41-E66 CarbonylContact C-O 3.58Å; L41-E66 WeakPolarHBondContact CA-O 3.35Å; L42-E66 HydrophobicContact CB-CB 4.25Å; L42-E66 HydrophobicContact CD1-CB 4.28Å; L42-E66 PolarHBondContact N-O 2.74Å; L42-E66 PolarHBondContact O-N 3.35Å |
| 67 | V | 95.8 | Very high | 83.8 | Confident | 19 Ų | 19 | 86.1 Ų | 86.1 | 12% | 0.115 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 115.3 | 174.6 | -173.1 | 0 | 0 | 0 | 0 | 107.9 | R6 V28 L34 L41 | R6-V67 PolarHBondContact O-N 3.16Å; V28-V67 HydrophobicContact CG1-CG1 3.63Å; V28-V67 HydrophobicContact CG1-CG2 4.18Å; V28-V67 HydrophobicContact CG2-CG2 3.91Å; L34-V67 HydrophobicContact CD2-CG1 4.41Å; L41-V67 HydrophobicContact CD2-CB 4.31Å; L41-V67 HydrophobicContact CD2-CG1 4.4Å; L41-V67 HydrophobicContact CD2-CG2 3.69Å |
| 68 | A | 93.2 | Very high | 82.8 | Confident | 38 Ų | 38 | 87.9 Ų | 87.9 | 31% | 0.314 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V40 L42 | V40-A68 HydrophobicContact CB-CB 4.42Å; V40-A68 PolarHBondContact N-O 2.77Å; V40-A68 PolarHBondContact O-N 2.89Å; L42-A68 HydrophobicContact CD1-CB 3.69Å |
| 69 | G | 89.8 | Confident | 81.9 | Confident | 47 Ų | 47 | 90.3 Ų | 90.3 | 49% | 0.485 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 140.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D38 L71 | D38-G69 CarbonylContact O-C 3.46Å; D38-G69 VanDerWaalsContact O-CA 3.3Å; D38-G69 WeakPolarHBondContact O-CA 3.24Å; G69-L71 PolarHBondContact O-N 3.09Å |
| 70 | R | 83.4 | Confident | 81.4 | Confident | 150 Ų | 150 | 97.3 Ų | 97.3 | 57% | 0.566 | 57% | 0.566 | S | S | * | * | trans | -67.3 | 124.6 | 167 | -67.7 | -174.7 | -178.6 | -109.4 | -2.2 | 108.8 | E37 D38 V40 L72 | E37-R70 VanDerWaalsContact O-CD 3.31Å; E37-R70 WeakPolarHBondContact O-CD 3.16Å; E37-R70 PolarHBondContact O-NE 2.93Å; D38-R70 PolarHBondContact O-N 3.32Å; V40-R70 HydrophobicContact CG2-CG 3.66Å; R70-L72 PolarHBondContact O-N 3.44Å | ||
| 71 | L | 72.5 | Confident | 80.8 | Confident | 171 Ų | 171 | 97.4 Ų | 97.4 | 90% | 0.895 | 58% | 0.576 | S | S | * | * | trans | -81.8 | 105.6 | 172 | -67.9 | 174.4 | 0 | 0 | 0 | 109.4 | G69 G73 | G69-L71 PolarHBondContact O-N 3.09Å; L71-G73 PolarHBondContact O-N 2.93Å | ||
| 72 | L | 66.2 | Low | 80.4 | Confident | 155 Ų | 155 | 101.4 Ų | 101.4 | 81% | 0.812 | 59% | 0.586 | S | S | * | * | trans | -77.9 | 107.9 | 167.9 | -67.4 | 175.3 | 0 | 0 | 0 | 109.5 | R70 | R70-L72 PolarHBondContact O-N 3.44Š| ||
| 73 | G | 63.8 | Low | 80.2 | Confident | 73 Ų | 73 | 100.1 Ų | 100.1 | 75% | 0.753 | 59% | 0.594 | S | S | * | * | trans | 98.2 | 98.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L71 | L71-G73 PolarHBondContact O-N 2.93Š| ||
| 74 | G | 64.3 | Low | 80.1 | Confident | 68 Ų | 68 | 101.6 Ų | 101.6 | 70% | 0.701 | 61% | 0.613 | S | S | * | * | trans | -77.5 | 140.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V76 | G74-V76 PolarHBondContact O-N 3.33Š| ||
| 75 | K | 62.2 | Low | 80 | Confident | 193 Ų | 193 | 104 Ų | 104 | 84% | 0.839 | 62% | 0.618 | S | S | * | * | trans | -59.1 | 105.8 | 174.3 | -162.7 | 176.5 | -171.4 | 174.5 | 0 | 109 | H77 | K75-H77 PolarHBondContact O-N 3.04Š| ||
| 76 | V | 66.4 | Low | 79.9 | Confident | 134 Ų | 134 | 109.1 Ų | 109.1 | 81% | 0.812 | 65% | 0.648 | S | S | * | * | trans | -59.4 | 113.5 | 175.9 | 178 | 0 | 0 | 0 | 0 | 108.2 | G74 G78 | G74-V76 PolarHBondContact O-N 3.33Å; V76-G78 PolarHBondContact O-N 2.95Å | ||
| 77 | H | 58.5 | Low | 79.7 | Confident | 189 Ų | 189 | 115.6 Ų | 115.6 | 88% | 0.875 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -77.3 | 114 | -178.9 | -118.9 | -87.7 | 0 | 0 | 0 | 109.6 | K75 | K75-H77 PolarHBondContact O-N 3.04Š|
| 78 | G | 69.4 | Low | 79.5 | Confident | 66 Ų | 66 | 118 Ų | 118 | 68% | 0.68 | 70% | 0.698 | S | S | * | * | trans | 135.4 | 70 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V76 | V76-G78 PolarHBondContact O-N 2.95Š| ||
| 79 | S | 73.6 | Confident | 79.7 | Confident | 97 Ų | 97 | 122.8 Ų | 122.8 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | trans | -69.2 | 145.8 | 179.3 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | A81 | S79-A81 PolarHBondContact O-N 3.12Å; S79-A81 VanDerWaalsContact O-N 3.12Å | ||
| 80 | L | 81.8 | Confident | 79.9 | Confident | 156 Ų | 156 | 124.4 Ų | 124.4 | 82% | 0.817 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -74.4 | 9.2 | 173.5 | -65.4 | 175.1 | 0 | 0 | 0 | 113.3 | R82 A83 | L80-R82 PolarHBondContact O-N 3.46Å; L80-A83 VanDerWaalsContact O-CB 3.3Å; L80-A83 WeakPolarHBondContact O-CB 3.3Å; L80-A83 PolarHBondContact O-N 2.99Å |
| 81 | A | 82.2 | Confident | 80.5 | Confident | 88 Ų | 88 | 122.6 Ų | 122.6 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -60 | -17.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S79 | S79-A81 PolarHBondContact O-N 3.12Å; S79-A81 VanDerWaalsContact O-N 3.12Å |
| 82 | R | 86 | Confident | 81.5 | Confident | 202 Ų | 202 | 123.5 Ų | 123.5 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -104.1 | 2.8 | 179.6 | -62.8 | -173.1 | -68.8 | -167.5 | -0.7 | 113.8 | L80 G84 K85 | L80-R82 PolarHBondContact O-N 3.46Å; R82-G84 PolarHBondContact O-N 2.97Å; R82-K85 WeakPolarHBondContact O-CB 3.48Å; R82-K85 PolarHBondContact O-N 3.2Å |
| 83 | A | 90.6 | Very high | 82.9 | Confident | 81 Ų | 81 | 121.9 Ų | 121.9 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 124.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L80 K85 | L80-A83 VanDerWaalsContact O-CB 3.3Å; L80-A83 WeakPolarHBondContact O-CB 3.3Å; L80-A83 PolarHBondContact O-N 2.99Å; A83-K85 VanDerWaalsContact C-N 3.28Å; A83-K85 PolarHBondContact O-N 3.28Å |
| 84 | G | 92.1 | Very high | 84.3 | Confident | 54 Ų | 54 | 125 Ų | 125 | 56% | 0.557 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.2 | -0.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | R82 V86 R87 G88 | R82-G84 PolarHBondContact O-N 2.97Å; G84-V86 PolarHBondContact O-N 3.26Å; G84-R87 PolarHBondContact O-N 3.16Å; G84-R87 VanDerWaalsContact O-N 3.13Å; G84-G88 PolarHBondContact O-N 3.09Å |
| 85 | K | 95.1 | Very high | 85.7 | Confident | 118 Ų | 118 | 131.6 Ų | 131.6 | 51% | 0.513 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -51.6 | -50.2 | -177.7 | -178.2 | 176.4 | 179 | 177.5 | 0 | 112.7 | R82 A83 G88 Q89 | R82-K85 WeakPolarHBondContact O-CB 3.48Å; R82-K85 PolarHBondContact O-N 3.2Å; A83-K85 VanDerWaalsContact C-N 3.28Å; A83-K85 PolarHBondContact O-N 3.28Å; K85-G88 PolarHBondContact O-N 3.28Å; K85-Q89 VanDerWaalsContact CE-NE2 3.32Å; K85-Q89 WeakPolarHBondContact O-CB 3.34Å; K85-Q89 VanDerWaalsContact O-CG 3.3Å; K85-Q89 WeakPolarHBondContact O-CG 3.3Å; K85-Q89 PolarHBondContact O-N 3.28Å; K85-Q89 VanDerWaalsContact O-N 3.08Å |
| 86 | V | 94.4 | Very high | 87.2 | Confident | 108 Ų | 108 | 129.8 Ų | 129.8 | 66% | 0.655 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -65.6 | -43.4 | -178.7 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | G84 G88 Q89 T90 | G84-V86 PolarHBondContact O-N 3.26Å; V86-G88 VanDerWaalsContact C-N 3.28Å; V86-G88 PolarHBondContact O-N 3.26Å; V86-Q89 PolarHBondContact O-N 2.8Å; V86-T90 HydrophobicContact CG1-CG2 4.2Å; V86-T90 WeakPolarHBondContact O-CG2 3.48Å; V86-T90 PolarHBondContact O-N 3.28Å; V86-T90 PolarHBondContact O-OG1 3.15Å |
| 87 | R | 92.3 | Very high | 88.4 | Confident | 221 Ų | 221 | 132.9 Ų | 132.9 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -61.5 | -35.4 | 179.7 | -178 | -178.9 | 173.6 | -163.9 | -2.3 | 112.4 | G84 T90 | G84-R87 PolarHBondContact O-N 3.16Å; G84-R87 VanDerWaalsContact O-N 3.13Å; R87-T90 PolarHBondContact O-OG1 3.02Å |
| 88 | G | 92.5 | Very high | 90 | Very high | 70 Ų | 70 | 131.8 Ų | 131.8 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -78.5 | -30.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G84 K85 V86 | G84-G88 PolarHBondContact O-N 3.09Å; K85-G88 PolarHBondContact O-N 3.28Å; V86-G88 VanDerWaalsContact C-N 3.28Å; V86-G88 PolarHBondContact O-N 3.26Å |
| 89 | Q | 95.9 | Very high | 91.2 | Very high | 138 Ų | 138 | 138.4 Ų | 138.4 | 65% | 0.645 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -81.1 | -28.7 | -180 | -73.3 | -178.4 | -18 | 0 | 0 | 113.4 | K85 V86 | K85-Q89 VanDerWaalsContact CE-NE2 3.32Å; K85-Q89 WeakPolarHBondContact O-CB 3.34Å; K85-Q89 VanDerWaalsContact O-CG 3.3Å; K85-Q89 WeakPolarHBondContact O-CG 3.3Å; K85-Q89 PolarHBondContact O-N 3.28Å; K85-Q89 VanDerWaalsContact O-N 3.08Å; V86-Q89 PolarHBondContact O-N 2.8Å |
| 90 | T | 94.4 | Very high | 92.1 | Very high | 80 Ų | 80 | 143.2 Ų | 143.2 | 49% | 0.491 | 74% | 0.736 | S | S | . | * | S | Bend | trans | -65.9 | 128.7 | -179.8 | 48 | 0 | 0 | 0 | 0 | 111.1 | V86 R87 K92 | V86-T90 HydrophobicContact CG1-CG2 4.2Å; V86-T90 WeakPolarHBondContact O-CG2 3.48Å; V86-T90 PolarHBondContact O-N 3.28Å; V86-T90 PolarHBondContact O-OG1 3.15Å; R87-T90 PolarHBondContact O-OG1 3.02Å; T90-K92 PolarHBondContact O-N 3.23Å |
| 91 | P | 95.6 | Very high | 92.7 | Very high | 113 Ų | 113 | 144.5 Ų | 144.5 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -61 | 137.9 | 178.5 | 25.7 | -34.1 | 0 | 0 | 0 | 110.3 | V93 | P91-V93 PolarHBondContact O-N 3.32Š| ||
| 92 | K | 94.4 | Very high | 93.3 | Very high | 189 Ų | 189 | 147.1 Ų | 147.1 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | -81.4 | 92.7 | -179.9 | -166.1 | 70.3 | -178.8 | -178.9 | 0 | 109.8 | T90 D94 | T90-K92 PolarHBondContact O-N 3.23Å; K92-D94 PolarHBondContact O-N 3.08Å | ||
| 93 | V | 94.9 | Very high | 93.8 | Very high | 122 Ų | 122 | 142.9 Ų | 142.9 | 74% | 0.739 | 73% | 0.727 | S | S | * | * | trans | -74.7 | 119.6 | 175.1 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | P91 | P91-V93 PolarHBondContact O-N 3.32Š| ||
| 94 | D | 93.4 | Very high | 94.1 | Very high | 137 Ų | 137 | 141.6 Ų | 141.6 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | trans | -66.9 | 148.1 | 176.2 | -73.6 | -36.5 | 0 | 0 | 0 | 112.2 | K92 Q96 | K92-D94 PolarHBondContact O-N 3.08Å; D94-Q96 PolarHBondContact O-N 3.39Å | ||
| 95 | K | 94.3 | Very high | 94.4 | Very high | 207 Ų | 207 | 149.5 Ų | 149.5 | 90% | 0.9 | 73% | 0.734 | S | S | * | * | trans | -75.8 | 114.4 | 177.8 | -68.7 | 178.9 | -177.8 | 172.4 | 0 | 109 | ||||
| 96 | Q | 93.6 | Very high | 94.5 | Very high | 156 Ų | 156 | 146.1 Ų | 146.1 | 73% | 0.729 | 73% | 0.728 | S | S | * | * | trans | -62.7 | 140 | 168.1 | -64.1 | 172.8 | 9.2 | 0 | 0 | 110.6 | D94 K98 | D94-Q96 PolarHBondContact O-N 3.39Å; Q96-K98 PolarHBondContact O-N 3.5Å | ||
| 97 | E | 91.4 | Very high | 94.6 | Very high | 198 Ų | 198 | 145.6 Ų | 145.6 | 93% | 0.925 | 72% | 0.717 | S | S | * | * | trans | -66.6 | 124.8 | 173.7 | -167.2 | 176.8 | 177.2 | 0 | 0 | 109.9 | ||||
| 98 | K | 93 | Very high | 94.8 | Very high | 167 Ų | 167 | 143.3 Ų | 143.3 | 73% | 0.726 | 71% | 0.708 | S | S | * | * | trans | -122 | 142.9 | 176.9 | -67.3 | -175.3 | -178.3 | -178.5 | 0 | 109.2 | Q96 K100 | Q96-K98 PolarHBondContact O-N 3.5Å; K98-K100 PolarHBondContact O-N 3.13Å | ||
| 99 | K | 93.5 | Very high | 95 | Very high | 204 Ų | 204 | 148.3 Ų | 148.3 | 89% | 0.887 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 129.5 | 175.7 | -172.3 | 171.1 | -174 | 166.4 | 0 | 110.7 | K101 | K99-K101 PolarHBondContact O-N 3.02Š|
| 100 | K | 93 | Very high | 95 | Very high | 199 Ų | 199 | 146 Ų | 146 | 87% | 0.865 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 126 | 177.6 | -68.3 | -179 | -178 | 175.2 | 0 | 109.7 | K98 | K98-K100 PolarHBondContact O-N 3.13Š|
| 101 | K | 93.4 | Very high | 95 | Very high | 183 Ų | 183 | 144.7 Ų | 144.7 | 80% | 0.796 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 132.8 | 177.4 | -65.7 | 179 | -177.8 | 174.4 | 0 | 108.8 | K99 | K99-K101 PolarHBondContact O-N 3.02Š|
| 102 | K | 96.2 | Very high | 95.1 | Very high | 142 Ų | 142 | 145.7 Ų | 145.7 | 62% | 0.617 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 149 | 170 | -61 | -168.6 | -176.3 | -177.6 | 0 | 109.9 | A106 K107 I110 | K102-A106 HydrophobicContact CB-CB 4.32Å; K102-A106 HydrophobicContact CD-CB 4.22Å; K102-K107 VanDerWaalsContact O-CB 3.32Å; K102-K107 WeakPolarHBondContact O-CB 3.22Å; K102-K107 WeakPolarHBondContact O-CD 3.39Å; K102-K107 WeakPolarHBondContact O-CG 3.34Å; K102-I110 HydrophobicContact CD-CD1 3.96Å |
| 103 | T | 96.1 | Very high | 95.1 | Very high | 114 Ų | 114 | 139.4 Ų | 139.4 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | trans | -119.9 | 175.7 | -179.3 | 56.2 | 0 | 0 | 0 | 0 | 111.1 | K107 | T103-K107 PolarHBondContact O-N 3.34Š| ||
| 104 | G | 97.1 | Very high | 95 | Very high | 53 Ų | 53 | 140.7 Ų | 140.7 | 55% | 0.546 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | 59.6 | -143.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A106 K107 R108 | G104-A106 VanDerWaalsContact C-N 3.27Å; G104-A106 PolarHBondContact O-N 2.93Å; G104-K107 WeakPolarHBondContact O-CB 3.17Å; G104-K107 PolarHBondContact O-N 3.09Å; G104-K107 VanDerWaalsContact O-N 3.13Å; G104-R108 PolarHBondContact O-N 3.43Å |
| 105 | R | 97.3 | Very high | 95 | Very high | 220 Ų | 220 | 141.1 Ų | 141.1 | 83% | 0.83 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -56.9 | -39.5 | -178.3 | -175.1 | 176.4 | 178.5 | -113.4 | 1.7 | 112.5 | K107 R108 R109 | R105-K107 VanDerWaalsContact C-N 3.34Å; R105-K107 PolarHBondContact O-N 3.07Å; R105-R108 PolarHBondContact O-N 3.07Å; R105-R109 PolarHBondContact O-N 3.47Å |
| 106 | A | 96.8 | Very high | 94.8 | Very high | 48 Ų | 48 | 137.9 Ų | 137.9 | 40% | 0.397 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.7 | -41.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | K102 G104 I110 | K102-A106 HydrophobicContact CB-CB 4.32Å; K102-A106 HydrophobicContact CD-CB 4.22Å; G104-A106 VanDerWaalsContact C-N 3.27Å; G104-A106 PolarHBondContact O-N 2.93Å; A106-I110 WeakPolarHBondContact O-CG1 3.4Å; A106-I110 PolarHBondContact O-N 2.82Å |
| 107 | K | 97.4 | Very high | 94.7 | Very high | 96 Ų | 96 | 134.7 Ų | 134.7 | 42% | 0.417 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.1 | -42.6 | 174.9 | -168.7 | -178 | 177.9 | -178.7 | 0 | 112 | K102 T103 G104 R105 I110 Q111 | K102-K107 VanDerWaalsContact O-CB 3.32Å; K102-K107 WeakPolarHBondContact O-CB 3.22Å; K102-K107 WeakPolarHBondContact O-CD 3.39Å; K102-K107 WeakPolarHBondContact O-CG 3.34Å; T103-K107 PolarHBondContact O-N 3.34Å; G104-K107 WeakPolarHBondContact O-CB 3.17Å; G104-K107 PolarHBondContact O-N 3.09Å; G104-K107 VanDerWaalsContact O-N 3.13Å; R105-K107 VanDerWaalsContact C-N 3.34Å; R105-K107 PolarHBondContact O-N 3.07Å; K107-I110 PolarHBondContact O-N 3.21Å; K107-Q111 WeakPolarHBondContact O-CG 3.39Å; K107-Q111 PolarHBondContact O-N 3.02Å |
| 108 | R | 97.3 | Very high | 94.5 | Very high | 174 Ų | 174 | 130.8 Ų | 130.8 | 66% | 0.657 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.2 | -42.2 | 179.2 | -68.1 | -61.6 | -171.1 | -179 | 7.5 | 112 | G104 R105 I110 Q111 Y112 | G104-R108 PolarHBondContact O-N 3.43Å; R105-R108 PolarHBondContact O-N 3.07Å; R108-I110 PolarHBondContact O-N 3.3Å; R108-Q111 PolarHBondContact O-N 3.42Å; R108-Y112 PolarHBondContact O-N 2.93Å |
| 109 | R | 97.1 | Very high | 94.1 | Very high | 175 Ų | 175 | 125.9 Ų | 125.9 | 66% | 0.66 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.1 | -45.4 | 174.3 | -171.2 | 177.2 | -179.6 | -174.1 | -0.2 | 111.9 | R105 Q111 Y112 N113 | R105-R109 PolarHBondContact O-N 3.47Å; R109-Q111 VanDerWaalsContact C-N 3.34Å; R109-Q111 PolarHBondContact O-N 3.04Å; R109-Y112 PolarHBondContact O-N 3.44Å; R109-N113 PolarHBondContact O-N 3.2Å; R109-N113 PolarHBondContact O-OD1 3.02Å |
| 110 | I | 95.4 | Very high | 93.5 | Very high | 89 Ų | 89 | 121.7 Ų | 121.7 | 46% | 0.456 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.3 | -42.5 | 176.3 | -68.5 | 167.5 | 0 | 0 | 0 | 111.2 | K102 A106 K107 R108 R114 | K102-I110 HydrophobicContact CD-CD1 3.96Å; A106-I110 WeakPolarHBondContact O-CG1 3.4Å; A106-I110 PolarHBondContact O-N 2.82Å; K107-I110 PolarHBondContact O-N 3.21Å; R108-I110 PolarHBondContact O-N 3.3Å; I110-R114 WeakPolarHBondContact O-CB 3.42Å; I110-R114 PolarHBondContact O-N 3.46Å |
| 111 | Q | 94.6 | Very high | 92.9 | Very high | 53 Ų | 53 | 118 Ų | 118 | 25% | 0.248 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -64.2 | -42.4 | 178 | -74.5 | 179.3 | -17.3 | 0 | 0 | 112.7 | K107 R108 R109 R114 R115 | K107-Q111 WeakPolarHBondContact O-CG 3.39Å; K107-Q111 PolarHBondContact O-N 3.02Å; R108-Q111 PolarHBondContact O-N 3.42Å; R109-Q111 VanDerWaalsContact C-N 3.34Å; R109-Q111 PolarHBondContact O-N 3.04Å; Q111-R114 PolarHBondContact O-N 3.35Å; Q111-R115 WeakPolarHBondContact O-CB 3.41Å; Q111-R115 WeakPolarHBondContact O-CG 3.4Å; Q111-R115 PolarHBondContact O-N 3.36Å; Q111-R115 VanDerWaalsContact O-N 3.09Å |
| 112 | Y | 96.6 | Very high | 92.2 | Very high | 134 Ų | 134 | 114.6 Ų | 114.6 | 53% | 0.525 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61 | -52.1 | 177.1 | 178.3 | -94.6 | 0 | 0 | 0 | 110.8 | R108 R109 R114 R115 F116 V117 | R108-Y112 PolarHBondContact O-N 2.93Å; R109-Y112 PolarHBondContact O-N 3.44Å; Y112-R114 VanDerWaalsContact C-N 3.29Å; Y112-R114 PolarHBondContact O-N 3.2Å; Y112-R115 PolarHBondContact O-N 2.96Å; Y112-F116 AromaticContact CD2-CD2 3.48Å; Y112-F116 HydrophobicContact CD2-CD2 3.48Å; Y112-F116 VanDerWaalsContact CD2-CD2 3.48Å; Y112-F116 HydrophobicContact CD2-CE2 4.06Å; Y112-F116 HydrophobicContact CD2-CG 4.36Å; Y112-F116 HydrophobicContact CE2-CB 4.23Å; Y112-F116 AromaticContact CE2-CD2 3.68Å; Y112-F116 HydrophobicContact CE2-CD2 3.68Å; Y112-F116 HydrophobicContact CE2-CE2 4.38Å; Y112-F116 HydrophobicContact CE2-CG 4.18Å; Y112-F116 HydrophobicContact CG-CD2 4.17Å; Y112-F116 PolarHBondContact O-N 3.17Å; Y112-V117 HydrophobicContact CD1-CG2 3.92Å; Y112-V117 HydrophobicContact CE1-CG2 3.54Å |
| 113 | N | 95.5 | Very high | 91.6 | Very high | 56 Ų | 56 | 118.1 Ų | 118.1 | 30% | 0.299 | 58% | 0.578 | S | S | . | * | I | π-helix | trans | -57.5 | -43.9 | 178.7 | -69.8 | 8.8 | 0 | 0 | 0 | 111.3 | R109 R115 V117 N118 | R109-N113 PolarHBondContact O-N 3.2Å; R109-N113 PolarHBondContact O-OD1 3.02Å; N113-R115 VanDerWaalsContact C-N 3.3Å; N113-R115 PolarHBondContact O-N 3.22Å; N113-V117 HydrophobicContact CB-CB 4.49Å; N113-V117 PolarHBondContact O-N 3.42Å; N113-N118 WeakPolarHBondContact O-CB 3.44Å; N113-N118 PolarHBondContact O-N 3.13Å |
| 114 | R | 92.6 | Very high | 91 | Very high | 150 Ų | 150 | 116.1 Ų | 116.1 | 57% | 0.566 | 58% | 0.579 | S | S | * | * | I | π-helix | trans | -66.6 | -26.9 | 179.2 | -163.4 | 178.9 | 78.9 | 152.4 | 6.6 | 113.9 | I110 Q111 Y112 V119 | I110-R114 WeakPolarHBondContact O-CB 3.42Å; I110-R114 PolarHBondContact O-N 3.46Å; Q111-R114 PolarHBondContact O-N 3.35Å; Y112-R114 VanDerWaalsContact C-N 3.29Å; Y112-R114 PolarHBondContact O-N 3.2Å; R114-V119 WeakPolarHBondContact O-CG2 3.4Å |
| 115 | R | 92.1 | Very high | 90.4 | Very high | 146 Ų | 146 | 123.3 Ų | 123.3 | 55% | 0.551 | 60% | 0.596 | S | S | * | * | I | π-helix | trans | -98.2 | -27.8 | -173.8 | -75.2 | -180 | 176.7 | -173.5 | -1.8 | 114.2 | Q111 Y112 N113 V119 | Q111-R115 WeakPolarHBondContact O-CB 3.41Å; Q111-R115 WeakPolarHBondContact O-CG 3.4Å; Q111-R115 PolarHBondContact O-N 3.36Å; Q111-R115 VanDerWaalsContact O-N 3.09Å; Y112-R115 PolarHBondContact O-N 2.96Å; N113-R115 VanDerWaalsContact C-N 3.3Å; N113-R115 PolarHBondContact O-N 3.22Å; R115-V119 VanDerWaalsContact C-CG2 3.45Å; R115-V119 WeakPolarHBondContact O-CG2 3.32Å |
| 116 | F | 90.4 | Very high | 89.8 | Confident | 139 Ų | 139 | 121.7 Ų | 121.7 | 61% | 0.61 | 60% | 0.595 | S | S | * | * | I | π-helix | trans | -126.1 | -43.9 | -170.1 | -59.5 | -70.7 | 0 | 0 | 0 | 112.7 | Y112 | Y112-F116 AromaticContact CD2-CD2 3.48Å; Y112-F116 HydrophobicContact CD2-CD2 3.48Å; Y112-F116 VanDerWaalsContact CD2-CD2 3.48Å; Y112-F116 HydrophobicContact CD2-CE2 4.06Å; Y112-F116 HydrophobicContact CD2-CG 4.36Å; Y112-F116 HydrophobicContact CE2-CB 4.23Å; Y112-F116 AromaticContact CE2-CD2 3.68Å; Y112-F116 HydrophobicContact CE2-CD2 3.68Å; Y112-F116 HydrophobicContact CE2-CE2 4.38Å; Y112-F116 HydrophobicContact CE2-CG 4.18Å; Y112-F116 HydrophobicContact CG-CD2 4.17Å; Y112-F116 PolarHBondContact O-N 3.17Å |
| 117 | V | 92.6 | Very high | 89.3 | Confident | 88 Ų | 88 | 126.3 Ų | 126.3 | 53% | 0.533 | 61% | 0.606 | S | S | . | * | I | π-helix | trans | -82 | -47.9 | -174.7 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | Y112 N113 | Y112-V117 HydrophobicContact CD1-CG2 3.92Å; Y112-V117 HydrophobicContact CE1-CG2 3.54Å; N113-V117 HydrophobicContact CB-CB 4.49Å; N113-V117 PolarHBondContact O-N 3.42Å |
| 118 | N | 87.5 | Confident | 88.8 | Confident | 117 Ų | 117 | 123.9 Ų | 123.9 | 63% | 0.626 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -91.2 | 1.9 | -173.2 | -62.7 | 7.7 | 0 | 0 | 0 | 113 | N113 V120 | N113-N118 WeakPolarHBondContact O-CB 3.44Å; N113-N118 PolarHBondContact O-N 3.13Å; N118-V120 PolarHBondContact O-N 3.3Å |
| 119 | V | 84.9 | Confident | 88.4 | Confident | 64 Ų | 64 | 120.8 Ų | 120.8 | 39% | 0.388 | 61% | 0.611 | S | S | . | * | trans | -85.2 | 114.8 | 179.7 | 175.8 | 0 | 0 | 0 | 0 | 108.6 | R114 R115 | R114-V119 WeakPolarHBondContact O-CG2 3.4Å; R115-V119 VanDerWaalsContact C-CG2 3.45Å; R115-V119 WeakPolarHBondContact O-CG2 3.32Å | ||
| 120 | V | 80.4 | Confident | 88.1 | Confident | 115 Ų | 115 | 119.2 Ų | 119.2 | 70% | 0.697 | 62% | 0.615 | S | S | * | * | trans | -87.3 | 125.4 | 168.9 | -179 | 0 | 0 | 0 | 0 | 108.3 | N118 T122 | N118-V120 PolarHBondContact O-N 3.3Å; V120-T122 PolarHBondContact O-N 3.41Å; V120-T122 VanDerWaalsContact O-N 3.16Å | ||
| 121 | P | 79.4 | Confident | 87.9 | Confident | 121 Ų | 121 | 117.4 Ų | 117.4 | 79% | 0.786 | 61% | 0.613 | S | S | * | * | trans | -63.5 | 114.9 | 174.5 | -18.7 | 31.2 | 0 | 0 | 0 | 109.9 | ||||
| 122 | T | 79.8 | Confident | 87.7 | Confident | 112 Ų | 112 | 122.5 Ų | 122.5 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | trans | -101.6 | 147.1 | 172.1 | 60.2 | 0 | 0 | 0 | 0 | 109.6 | V120 | V120-T122 PolarHBondContact O-N 3.41Å; V120-T122 VanDerWaalsContact O-N 3.16Å | ||
| 123 | F | 82.4 | Confident | 86.9 | Confident | 217 Ų | 217 | 122.5 Ų | 122.5 | 95% | 0.952 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -65.6 | 141.1 | 173.4 | -70.2 | -88.5 | 0 | 0 | 0 | 110.5 | ||
| 124 | G | 83.8 | Confident | 86.4 | Confident | 71 Ų | 71 | 125.9 Ų | 125.9 | 73% | 0.732 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 103.2 | -168.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K126 | G124-K126 PolarHBondContact O-N 3.25Š|
| 125 | K | 85.5 | Confident | 86.1 | Confident | 205 Ų | 205 | 124.6 Ų | 124.6 | 89% | 0.891 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -69.7 | 129.2 | -176.1 | -70.4 | -177.4 | 179.7 | 176.5 | 0 | 110.8 | K127 | K125-K127 PolarHBondContact O-N 3.34Š|
| 126 | K | 83.9 | Confident | 85.8 | Confident | 186 Ų | 186 | 123.4 Ų | 123.4 | 81% | 0.809 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 118.3 | 178.3 | -169.7 | 171.6 | -174.3 | 168.8 | 0 | 110.9 | G124 | G124-K126 PolarHBondContact O-N 3.25Š|
| 127 | K | 86.3 | Confident | 85.5 | Confident | 144 Ų | 144 | 122.5 Ų | 122.5 | 63% | 0.626 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 138.9 | 175.5 | -76.9 | -167.6 | 173.8 | -170.4 | 0 | 111.3 | K125 S133 | K125-K127 PolarHBondContact O-N 3.34Å; K127-S133 PolarHBondContact NZ-O 3.26Å |
| 128 | G | 87.3 | Confident | 85.1 | Confident | 45 Ų | 45 | 124.6 Ų | 124.6 | 46% | 0.464 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -74.7 | 156.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N130 A131 | G128-N130 PolarHBondContact O-N 3.33Å; G128-N130 VanDerWaalsContact O-N 3.09Å; G128-A131 PolarHBondContact O-N 3.24Å |
| 129 | P | 87.7 | Confident | 84.9 | Confident | 110 Ų | 110 | 125.1 Ų | 125.1 | 71% | 0.714 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -3.8 | -176.1 | 28.3 | -36.2 | 0 | 0 | 0 | 115.6 | ||
| 130 | N | 92.1 | Very high | 84.9 | Confident | 141 Ų | 141 | 129.5 Ų | 129.5 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | 29.7 | 178.1 | -158.5 | 50.4 | 0 | 0 | 0 | 111 | G128 | G128-N130 PolarHBondContact O-N 3.33Å; G128-N130 VanDerWaalsContact O-N 3.09Å |
| 131 | A | 90.7 | Very high | 85.2 | Confident | 51 Ų | 51 | 130.6 Ų | 130.6 | 42% | 0.421 | 74% | 0.741 | S | S | . | * | trans | -73.7 | 128.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | G128 S133 | G128-A131 PolarHBondContact O-N 3.24Å; A131-S133 VanDerWaalsContact C-N 3.33Å | ||
| 132 | N | 90.8 | Very high | 85.7 | Confident | 161 Ų | 161 | 131.4 Ų | 131.4 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | trans | -92.6 | 3.8 | 179.7 | -63 | -25.2 | 0 | 0 | 0 | 112.9 | ||||
| 133 | S | 78.4 | Confident | 86.3 | Confident | 134 Ų | 134 | 133.2 Ų | 133.2 | 94% | 0.937 | 74% | 0.742 | S | S | * | * | trans | -96.2 | 0 | -177.8 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | K127 A131 | K127-S133 PolarHBondContact NZ-O 3.26Å; A131-S133 VanDerWaalsContact C-N 3.33Å |
Retrieved 133 of 133 residues in 108.2 ms
(Link to these results)