| 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 | 94.8 | Very high | 91.4 | Very high | 59 Ų | 59 | 63.5 Ų | 63.5 | 29% | 0.291 | 34% | 0.339 | S | S | . | . | 0 | 149.8 | 0 | 73.3 | 174.4 | 179.5 | 0 | 0 | 108.5 | I3 V17 P19 L56 I61 K63 | M1-I3 HydrophobicContact CE-CG2 4.22Å; M1-V17 HydrophobicContact CE-CG2 4.08Å; M1-V17 HydrophobicContact CG-CG2 3.99Å; M1-V17 WeakPolarHBondContact CG-O 3.49Å; M1-V17 PolarHBondContact N-O 3.22Å; M1-V17 WeakPolarHBondContact O-CG2 3.42Å; M1-V17 PolarHBondContact O-N 3.49Å; M1-P19 HydrophobicContact CE-CB 4.39Å; M1-P19 HydrophobicContact CE-CG 4.01Å; M1-P19 HydrophobicContact SD-CG 3.95Å; M1-L56 HydrophobicContact CE-CD1 4.1Å; M1-I61 WeakPolarHBondContact CE-O 3.49Å; M1-K63 HydrophobicContact CB-CB 4.27Å; M1-K63 HydrophobicContact CB-CG 4.32Å; M1-K63 HydrophobicContact SD-CB 4.39Å; M1-K63 PolarHBondContact SD-N 3.42Å | |||
| 2 | Q | 95.8 | Very high | 91.5 | Very high | 66 Ų | 66 | 64.3 Ų | 64.3 | 31% | 0.308 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 136.7 | -179.4 | -170.3 | 166.3 | 83.4 | 0 | 0 | 111.2 | T14 L15 E16 E64 | Q2-T14 HydrophobicContact CG-CG2 3.41Å; Q2-T14 VanDerWaalsContact CG-CG2 3.41Å; Q2-L15 WeakPolarHBondContact CA-O 3.15Å; Q2-E16 PolarHBondContact NE2-OE1 2.85Å; Q2-E64 PolarHBondContact O-N 3.3Å |
| 3 | I | 97.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 164.8 | 168.9 | 66.7 | 169.7 | 0 | 0 | 0 | 110.3 | M1 L15 V17 V26 L56 I61 L67 | M1-I3 HydrophobicContact CE-CG2 4.22Å; I3-L15 HydrophobicContact CG1-CB 4.01Å; I3-L15 PolarHBondContact N-O 2.77Å; I3-L15 PolarHBondContact O-N 2.82Å; I3-V17 HydrophobicContact CB-CG2 4.31Å; I3-V17 HydrophobicContact CD1-CG1 4.02Å; I3-V17 HydrophobicContact CD1-CG2 3.86Å; I3-V17 HydrophobicContact CG1-CG1 4.17Å; I3-V17 HydrophobicContact CG1-CG2 3.74Å; I3-V17 HydrophobicContact CG2-CG2 3.73Å; I3-V26 HydrophobicContact CD1-CG1 4.46Å; I3-L56 HydrophobicContact CD1-CD1 4.3Å; I3-L56 HydrophobicContact CD1-CD2 4.5Å; I3-I61 HydrophobicContact CG2-CG2 4.14Å; I3-L67 HydrophobicContact CD1-CD1 4.14Å; I3-L67 HydrophobicContact CD1-CD2 4.4Å |
| 4 | F | 97.5 | Very high | 92 | Very high | 51 Ų | 51 | 59.1 Ų | 59.1 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 141.2 | 177.6 | -55.3 | -74 | 0 | 0 | 0 | 110.7 | T12 I13 T14 E64 S65 T66 L67 | F4-T12 HydrophobicContact CB-CG2 3.97Å; F4-T12 HydrophobicContact CD1-CG2 4.04Å; F4-T12 HydrophobicContact CG-CG2 4.35Å; F4-I13 CarbonylContact C-O 3.5Å; F4-I13 WeakPolarHBondContact CA-O 3.45Å; F4-T14 HydrophobicContact CD1-CG2 4.38Å; F4-T14 HydrophobicContact CE1-CG2 4.12Å; F4-E64 HydrophobicContact CE2-CB 4.03Å; F4-E64 HydrophobicContact CE2-CG 4.06Å; F4-S65 PolarHBondContact N-O 3.27Å; F4-T66 HydrophobicContact CB-CG2 4.35Å; F4-T66 CarbonylContact O-C 3.51Å; F4-T66 WeakPolarHBondContact O-CA 3.11Å; F4-L67 PolarHBondContact O-N 3.23Å |
| 5 | V | 97.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 114.2 | 173.6 | -177.6 | 0 | 0 | 0 | 0 | 108 | I13 L15 I30 L43 L67 L69 | V5-I13 HydrophobicContact CB-CB 4.28Å; V5-I13 PolarHBondContact N-O 2.85Å; V5-I13 PolarHBondContact O-N 2.73Å; V5-L15 HydrophobicContact CG2-CD1 3.63Å; V5-L15 HydrophobicContact CG2-CG 4.3Å; V5-I30 HydrophobicContact CG1-CD1 4.14Å; V5-I30 HydrophobicContact CG2-CD1 4.2Å; V5-L43 HydrophobicContact CG1-CD2 4.11Å; V5-L67 CarbonylContact C-O 3.5Å; V5-L67 WeakPolarHBondContact CA-O 3.5Å; V5-L67 HydrophobicContact CG2-CB 4.37Å; V5-L69 HydrophobicContact CG1-CB 3.61Å; V5-L69 HydrophobicContact CG1-CD2 4.47Å |
| 6 | K | 95 | Very high | 92.5 | Very high | 89 Ų | 89 | 58.6 Ų | 58.6 | 39% | 0.387 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127.4 | -178.7 | -166.4 | 172.9 | -177.5 | 177.5 | 0 | 110.6 | K11 T66 L67 H68 L69 | K6-K11 WeakPolarHBondContact CA-O 3.44Å; K6-T66 HydrophobicContact CB-CG2 4.06Å; K6-L67 PolarHBondContact N-O 3.32Å; K6-H68 WeakPolarHBondContact O-CA 3.39Å; K6-L69 PolarHBondContact O-N 2.99Å |
| 7 | T | 90.3 | Very high | 92.8 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 14% | 0.135 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 162.5 | 173.4 | 69.1 | 0 | 0 | 0 | 0 | 110.7 | T9 G10 K11 I13 L69 | T7-T9 PolarHBondContact O-N 2.71Å; T7-T9 PolarHBondContact OG1-N 3.09Å; T7-T9 PolarHBondContact OG1-OG1 3.24Å; T7-G10 PolarHBondContact O-N 3.37Å; T7-G10 PolarHBondContact OG1-N 3Å; T7-K11 HydrophobicContact CG2-CB 4.25Å; T7-K11 PolarHBondContact N-O 3.04Å; T7-K11 WeakPolarHBondContact OG1-CB 3.33Å; T7-K11 PolarHBondContact OG1-N 3.22Å; T7-K11 VanDerWaalsContact OG1-N 3.14Å; T7-K11 PolarHBondContact OG1-O 3.41Å; T7-I13 HydrophobicContact CG2-CD1 4.1Å; T7-L69 HydrophobicContact CG2-CD2 4.41Å |
| 8 | L | 83.3 | Confident | 93 | Very high | 140 Ų | 140 | 59 Ų | 59 | 73% | 0.733 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.3 | 171.9 | -65.2 | 176.4 | 0 | 0 | 0 | 113.1 | G10 V70 | L8-G10 PolarHBondContact O-N 2.83Å; L8-V70 HydrophobicContact CD1-CG1 4.46Å; L8-V70 HydrophobicContact CD1-CG2 4.46Å |
| 9 | T | 81.8 | Confident | 93.2 | Very high | 126 Ų | 126 | 59.2 Ų | 59.2 | 77% | 0.773 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -4.1 | 175.2 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | T7 | T7-T9 PolarHBondContact O-N 2.71Å; T7-T9 PolarHBondContact OG1-N 3.09Å; T7-T9 PolarHBondContact OG1-OG1 3.24Å |
| 10 | G | 83.3 | Confident | 93.4 | Very high | 41 Ų | 41 | 59.9 Ų | 59.9 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 88.9 | -5.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T7 L8 | T7-G10 PolarHBondContact O-N 3.37Å; T7-G10 PolarHBondContact OG1-N 3Å; L8-G10 PolarHBondContact O-N 2.83Å |
| 11 | K | 88.8 | Confident | 93.6 | Very high | 104 Ų | 104 | 58.1 Ų | 58.1 | 45% | 0.452 | 32% | 0.317 | S | S | . | . | trans | -62.5 | 136.3 | 171.9 | -174.6 | 178.3 | 177.1 | -175.7 | 0 | 109.4 | K6 T7 E34 | K6-K11 WeakPolarHBondContact CA-O 3.44Å; T7-K11 HydrophobicContact CG2-CB 4.25Å; T7-K11 PolarHBondContact N-O 3.04Å; T7-K11 WeakPolarHBondContact OG1-CB 3.33Å; T7-K11 PolarHBondContact OG1-N 3.22Å; T7-K11 VanDerWaalsContact OG1-N 3.14Å; T7-K11 PolarHBondContact OG1-O 3.41Å; K11-E34 WeakPolarHBondContact CE-OE1 3.24Å; K11-E34 WeakPolarHBondContact CE-OE2 3.42Å; K11-E34 IonicContact NZ-OE1 3.29Å; K11-E34 PolarHBondContact NZ-OE1 3.41Å; K11-E34 IonicContact NZ-OE2 2.98Å; K11-E34 PolarHBondContact NZ-OE2 3.49Å | ||
| 12 | T | 91.9 | Very high | 93.7 | Very high | 73 Ų | 73 | 57 Ų | 57 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.1 | 176 | -57.4 | 0 | 0 | 0 | 0 | 109 | F4 | F4-T12 HydrophobicContact CB-CG2 3.97Å; F4-T12 HydrophobicContact CD1-CG2 4.04Å; F4-T12 HydrophobicContact CG-CG2 4.35Å |
| 13 | I | 93 | Very high | 93.8 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.8 | 179.1 | -54.6 | 151.4 | 0 | 0 | 0 | 107.4 | F4 V5 T7 L15 K33 E34 | F4-I13 CarbonylContact C-O 3.5Å; F4-I13 WeakPolarHBondContact CA-O 3.45Å; V5-I13 HydrophobicContact CB-CB 4.28Å; V5-I13 PolarHBondContact N-O 2.85Å; V5-I13 PolarHBondContact O-N 2.73Å; T7-I13 HydrophobicContact CG2-CD1 4.1Å; I13-L15 HydrophobicContact CG2-CD2 4.07Å; I13-L15 HydrophobicContact CG2-CG 4.41Å; I13-K33 HydrophobicContact CG2-CD 4.23Å; I13-E34 HydrophobicContact CD1-CG 3.62Å; I13-E34 HydrophobicContact CG1-CG 4.01Å; I13-E34 HydrophobicContact CG2-CG 4.38Å |
| 14 | T | 96.6 | Very high | 93.7 | Very high | 51 Ų | 51 | 59.3 Ų | 59.3 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.9 | 178 | -56 | 0 | 0 | 0 | 0 | 109.7 | Q2 F4 K33 | Q2-T14 HydrophobicContact CG-CG2 3.41Å; Q2-T14 VanDerWaalsContact CG-CG2 3.41Å; F4-T14 HydrophobicContact CD1-CG2 4.38Å; F4-T14 HydrophobicContact CE1-CG2 4.12Å; T14-K33 PolarHBondContact O-NZ 3.43Å |
| 15 | L | 96.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.3 | 179.7 | -61.1 | 177.5 | 0 | 0 | 0 | 111.3 | Q2 I3 V5 I13 V17 V26 K29 I30 K33 | Q2-L15 WeakPolarHBondContact CA-O 3.15Å; I3-L15 HydrophobicContact CG1-CB 4.01Å; I3-L15 PolarHBondContact N-O 2.77Å; I3-L15 PolarHBondContact O-N 2.82Å; V5-L15 HydrophobicContact CG2-CD1 3.63Å; V5-L15 HydrophobicContact CG2-CG 4.3Å; I13-L15 HydrophobicContact CG2-CD2 4.07Å; I13-L15 HydrophobicContact CG2-CG 4.41Å; L15-V17 HydrophobicContact CB-CG1 4Å; L15-V26 HydrophobicContact CD1-CG1 4.05Å; L15-K29 HydrophobicContact CD2-CB 4.27Å; L15-I30 HydrophobicContact CD1-CD1 4.22Å; L15-I30 HydrophobicContact CD1-CG1 3.65Å; L15-K33 HydrophobicContact CD2-CD 3.81Å; L15-K33 HydrophobicContact CD2-CG 4.48Å |
| 16 | E | 96.7 | Very high | 93.6 | Very high | 108 Ų | 108 | 60.6 Ų | 60.6 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 119.3 | 166 | -68 | -58 | 146.6 | 0 | 0 | 109.3 | Q2 K29 | Q2-E16 PolarHBondContact NE2-OE1 2.85Å; E16-K29 PolarHBondContact O-NZ 2.62Å |
| 17 | V | 96.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | trans | -139.3 | 161.7 | -172 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | M1 I3 L15 D21 V26 K29 L56 | M1-V17 HydrophobicContact CE-CG2 4.08Å; M1-V17 HydrophobicContact CG-CG2 3.99Å; M1-V17 WeakPolarHBondContact CG-O 3.49Å; M1-V17 PolarHBondContact N-O 3.22Å; M1-V17 WeakPolarHBondContact O-CG2 3.42Å; M1-V17 PolarHBondContact O-N 3.49Å; I3-V17 HydrophobicContact CB-CG2 4.31Å; I3-V17 HydrophobicContact CD1-CG1 4.02Å; I3-V17 HydrophobicContact CD1-CG2 3.86Å; I3-V17 HydrophobicContact CG1-CG1 4.17Å; I3-V17 HydrophobicContact CG1-CG2 3.74Å; I3-V17 HydrophobicContact CG2-CG2 3.73Å; L15-V17 HydrophobicContact CB-CG1 4Å; V17-D21 VanDerWaalsContact CA-OD2 3.25Å; V17-D21 WeakPolarHBondContact CA-OD2 3.39Å; V17-D21 WeakPolarHBondContact CB-OD2 3.47Å; V17-V26 HydrophobicContact CG1-CG2 4.31Å; V17-K29 HydrophobicContact CG1-CD 3.99Å; V17-L56 HydrophobicContact CB-CD1 3.71Å; V17-L56 HydrophobicContact CG1-CD1 4.3Å; V17-L56 HydrophobicContact CG2-CD1 3.46Å; V17-L56 VanDerWaalsContact CG2-CD1 3.46Å | ||
| 18 | E | 96.9 | Very high | 93.6 | Very high | 122 Ų | 122 | 57.6 Ų | 57.6 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | trans | -106.1 | 148.7 | 168.8 | -63.9 | -172.4 | 174.5 | 0 | 0 | 110.6 | S20 D21 | E18-S20 PolarHBondContact O-N 2.9Å; E18-D21 PolarHBondContact N-OD2 2.85Å; E18-D21 VanDerWaalsContact O-CB 3.3Å; E18-D21 WeakPolarHBondContact O-CB 3.4Å; E18-D21 PolarHBondContact O-N 2.82Å | ||
| 19 | P | 96.7 | Very high | 94.2 | Very high | 63 Ų | 63 | 54.2 Ų | 54.2 | 41% | 0.409 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -26.1 | 175.4 | -25.7 | 34.3 | 0 | 0 | 0 | 114 | M1 L56 S57 | M1-P19 HydrophobicContact CE-CB 4.39Å; M1-P19 HydrophobicContact CE-CG 4.01Å; M1-P19 HydrophobicContact SD-CG 3.95Å; P19-L56 PolarHBondContact O-N 2.91Å; P19-S57 VanDerWaalsContact O-CB 3.31Å; P19-S57 WeakPolarHBondContact O-CB 3.39Å; P19-S57 PolarHBondContact O-N 3.25Å; P19-S57 PolarHBondContact O-OG 3.19Å |
| 20 | S | 97.3 | Very high | 94.7 | Very high | 73 Ų | 73 | 48.2 Ų | 48.2 | 51% | 0.51 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -10.8 | 175.5 | 41 | 0 | 0 | 0 | 0 | 114.6 | E18 T22 T55 | E18-S20 PolarHBondContact O-N 2.9Å; S20-T22 PolarHBondContact O-N 2.82Å; S20-T55 WeakPolarHBondContact O-CG2 3.26Å |
| 21 | D | 97.4 | Very high | 95 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.118 | 26% | 0.258 | C | S | . | . | trans | -60.7 | 132.8 | 177.7 | -78.9 | -24.3 | 0 | 0 | 0 | 110 | V17 E18 N25 V26 K29 T55 L56 | V17-D21 VanDerWaalsContact CA-OD2 3.25Å; V17-D21 WeakPolarHBondContact CA-OD2 3.39Å; V17-D21 WeakPolarHBondContact CB-OD2 3.47Å; E18-D21 PolarHBondContact N-OD2 2.85Å; E18-D21 VanDerWaalsContact O-CB 3.3Å; E18-D21 WeakPolarHBondContact O-CB 3.4Å; E18-D21 PolarHBondContact O-N 2.82Å; D21-N25 HydrophobicContact CB-CB 4.48Å; D21-V26 HydrophobicContact CB-CG2 4.2Å; D21-K29 WeakPolarHBondContact OD2-CE 3.32Å; D21-K29 IonicContact OD2-NZ 3.97Å; D21-T55 CarbonylContact O-C 3.55Å; D21-T55 VanDerWaalsContact O-CA 3.23Å; D21-T55 WeakPolarHBondContact O-CA 3.36Å; D21-L56 HydrophobicContact CB-CD1 4.32Å; D21-L56 PolarHBondContact O-N 3.34Å | ||
| 22 | T | 98.3 | Very high | 94.7 | Very high | 35 Ų | 35 | 50 Ų | 50 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 157 | 170.9 | 61.7 | 0 | 0 | 0 | 0 | 110.6 | S20 E24 N25 V26 R54 | S20-T22 PolarHBondContact O-N 2.82Å; T22-E24 PolarHBondContact O-N 2.79Å; T22-N25 WeakPolarHBondContact O-CB 3.47Å; T22-N25 PolarHBondContact O-N 3.33Å; T22-N25 VanDerWaalsContact O-N 3.11Å; T22-N25 PolarHBondContact OG1-N 3.22Å; T22-N25 VanDerWaalsContact OG1-N 3.12Å; T22-N25 PolarHBondContact OG1-ND2 2.81Å; T22-N25 PolarHBondContact OG1-OD1 2.71Å; T22-V26 WeakPolarHBondContact O-CG2 3.28Å; T22-V26 PolarHBondContact O-N 2.8Å; T22-R54 CarbonylContact C-O 3.54Å; T22-R54 WeakPolarHBondContact CA-O 3.46Å |
| 23 | I | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -33.8 | 174 | -61.2 | -55.5 | 0 | 0 | 0 | 110.9 | V26 K27 L43 L50 E51 D52 R54 L56 Y59 | I23-V26 PolarHBondContact O-N 2.88Å; I23-K27 WeakPolarHBondContact O-CG 3.33Å; I23-K27 PolarHBondContact O-N 3.29Å; I23-L43 HydrophobicContact CG2-CD1 4.24Å; I23-L50 HydrophobicContact CB-CB 4.49Å; I23-L50 HydrophobicContact CD1-CB 3.9Å; I23-L50 HydrophobicContact CD1-CD1 3.61Å; I23-L50 HydrophobicContact CD1-CG 4.28Å; I23-L50 HydrophobicContact CG1-CB 3.88Å; I23-L50 HydrophobicContact CG2-CB 3.81Å; I23-E51 VanDerWaalsContact CB-O 3.3Å; I23-E51 WeakPolarHBondContact CB-O 3.08Å; I23-E51 VanDerWaalsContact CG1-O 3.28Å; I23-E51 WeakPolarHBondContact CG1-O 3.46Å; I23-D52 PolarHBondContact N-O 3.06Å; I23-R54 WeakPolarHBondContact CG1-O 3.38Å; I23-R54 PolarHBondContact N-O 2.89Å; I23-L56 HydrophobicContact CD1-CD2 3.91Å; I23-Y59 HydrophobicContact CD1-CD2 4.33Å; I23-Y59 HydrophobicContact CD1-CE2 4.42Å; I23-Y59 HydrophobicContact CG1-CD2 4.48Å; I23-Y59 HydrophobicContact CG1-CE2 4.11Å |
| 24 | E | 94.9 | Very high | 94.1 | Very high | 115 Ų | 115 | 54.8 Ų | 54.8 | 54% | 0.537 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 170.9 | -169.7 | 172.3 | -166.5 | 0 | 0 | 112.3 | T22 V26 K27 A28 D52 | T22-E24 PolarHBondContact O-N 2.79Å; E24-V26 VanDerWaalsContact C-N 3.29Å; E24-V26 PolarHBondContact O-N 3.26Å; E24-K27 WeakPolarHBondContact O-CB 3.49Å; E24-K27 PolarHBondContact O-N 2.87Å; E24-K27 VanDerWaalsContact O-N 3.12Å; E24-A28 PolarHBondContact O-N 2.93Å; E24-D52 HydrophobicContact CB-CB 4.19Å; E24-D52 PolarHBondContact N-O 3.12Å; E24-D52 VanDerWaalsContact N-O 3.08Å |
| 25 | N | 95.2 | Very high | 93.5 | Very high | 78 Ų | 78 | 55.3 Ų | 55.3 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 176.8 | -70.3 | -6.2 | 0 | 0 | 0 | 111.9 | D21 T22 K27 A28 K29 | D21-N25 HydrophobicContact CB-CB 4.48Å; T22-N25 WeakPolarHBondContact O-CB 3.47Å; T22-N25 PolarHBondContact O-N 3.33Å; T22-N25 VanDerWaalsContact O-N 3.11Å; T22-N25 PolarHBondContact OG1-N 3.22Å; T22-N25 VanDerWaalsContact OG1-N 3.12Å; T22-N25 PolarHBondContact OG1-ND2 2.81Å; T22-N25 PolarHBondContact OG1-OD1 2.71Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-A28 PolarHBondContact O-N 2.68Å; N25-K29 WeakPolarHBondContact O-CG 3.26Å; N25-K29 PolarHBondContact O-N 2.88Å |
| 26 | V | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 175.4 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | I3 L15 V17 D21 T22 I23 E24 K29 I30 L43 L56 | I3-V26 HydrophobicContact CD1-CG1 4.46Å; L15-V26 HydrophobicContact CD1-CG1 4.05Å; V17-V26 HydrophobicContact CG1-CG2 4.31Å; D21-V26 HydrophobicContact CB-CG2 4.2Å; T22-V26 WeakPolarHBondContact O-CG2 3.28Å; T22-V26 PolarHBondContact O-N 2.8Å; I23-V26 PolarHBondContact O-N 2.88Å; E24-V26 VanDerWaalsContact C-N 3.29Å; E24-V26 PolarHBondContact O-N 3.26Å; V26-K29 PolarHBondContact O-N 2.92Å; V26-I30 HydrophobicContact CG1-CD1 4.4Å; V26-I30 WeakPolarHBondContact O-CG1 3.37Å; V26-I30 PolarHBondContact O-N 2.8Å; V26-L43 HydrophobicContact CB-CD1 4.41Å; V26-L43 HydrophobicContact CG1-CD1 3.8Å; V26-L56 HydrophobicContact CG2-CD1 3.99Å; V26-L56 HydrophobicContact CG2-CD2 3.94Å; V26-L56 HydrophobicContact CG2-CG 4.01Å |
| 27 | K | 95.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.057 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 175.2 | -71.7 | 171.3 | 162.7 | -165.3 | 0 | 112.6 | I23 E24 N25 K29 I30 Q31 P38 Q41 L43 D52 | I23-K27 WeakPolarHBondContact O-CG 3.33Å; I23-K27 PolarHBondContact O-N 3.29Å; E24-K27 WeakPolarHBondContact O-CB 3.49Å; E24-K27 PolarHBondContact O-N 2.87Å; E24-K27 VanDerWaalsContact O-N 3.12Å; N25-K27 VanDerWaalsContact C-N 3.33Å; K27-K29 VanDerWaalsContact C-N 3.33Å; K27-K29 PolarHBondContact O-N 2.93Å; K27-I30 WeakPolarHBondContact O-CB 3.37Å; K27-I30 PolarHBondContact O-N 3.21Å; K27-I30 VanDerWaalsContact O-N 3.1Å; K27-Q31 PolarHBondContact O-N 2.9Å; K27-P38 HydrophobicContact CB-CB 3.85Å; K27-P38 HydrophobicContact CB-CG 4.35Å; K27-P38 HydrophobicContact CD-CB 4.27Å; K27-P38 WeakPolarHBondContact CD-O 3.47Å; K27-P38 PolarHBondContact NZ-O 2.95Å; K27-P38 VanDerWaalsContact NZ-O 3.13Å; K27-Q41 HydrophobicContact CD-CB 4.31Å; K27-Q41 WeakPolarHBondContact CE-O 2.87Å; K27-Q41 HydrophobicContact CG-CB 4.04Å; K27-Q41 PolarHBondContact NZ-O 3.49Å; K27-Q41 PolarHBondContact O-NE2 2.94Å; K27-Q41 PolarHBondContact O-OE1 3.36Å; K27-L43 HydrophobicContact CG-CD1 3.95Å; K27-L43 HydrophobicContact CG-CG 4.41Å; K27-D52 WeakPolarHBondContact CD-OD1 3.43Å; K27-D52 WeakPolarHBondContact CE-OD1 3.15Å; K27-D52 VanDerWaalsContact NZ-CG 3.31Å; K27-D52 IonicContact NZ-OD1 2.78Å; K27-D52 PolarHBondContact NZ-OD1 3.4Å; K27-D52 IonicContact NZ-OD2 3.41Å; K27-D52 PolarHBondContact NZ-OD2 3.25Å; K27-D52 VanDerWaalsContact NZ-OD2 3.13Å |
| 28 | A | 91.2 | Very high | 92.1 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E24 N25 I30 Q31 D32 | E24-A28 PolarHBondContact O-N 2.93Å; N25-A28 PolarHBondContact O-N 2.68Å; A28-I30 PolarHBondContact O-N 2.86Å; A28-Q31 WeakPolarHBondContact O-CA 3.42Å; A28-Q31 VanDerWaalsContact O-CB 3.29Å; A28-Q31 WeakPolarHBondContact O-CB 3.47Å; A28-Q31 PolarHBondContact O-N 2.94Å; A28-D32 PolarHBondContact O-N 2.9Å |
| 29 | K | 95.3 | Very high | 91.4 | Very high | 70 Ų | 70 | 48.9 Ų | 48.9 | 30% | 0.304 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.3 | -31.4 | 174.2 | -69.1 | 167.5 | -177.6 | -89.7 | 0 | 113.3 | L15 E16 V17 D21 N25 V26 K27 K33 | L15-K29 HydrophobicContact CD2-CB 4.27Å; E16-K29 PolarHBondContact O-NZ 2.62Å; V17-K29 HydrophobicContact CG1-CD 3.99Å; D21-K29 WeakPolarHBondContact OD2-CE 3.32Å; D21-K29 IonicContact OD2-NZ 3.97Å; N25-K29 WeakPolarHBondContact O-CG 3.26Å; N25-K29 PolarHBondContact O-N 2.88Å; V26-K29 PolarHBondContact O-N 2.92Å; K27-K29 VanDerWaalsContact C-N 3.33Å; K27-K29 PolarHBondContact O-N 2.93Å; K29-K33 PolarHBondContact O-N 3.03Å |
| 30 | I | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.7 | -41.3 | 172.8 | -66.6 | 165 | 0 | 0 | 0 | 110.3 | V5 L15 V26 K27 A28 D32 K33 E34 Q41 L43 L69 | V5-I30 HydrophobicContact CG1-CD1 4.14Å; V5-I30 HydrophobicContact CG2-CD1 4.2Å; L15-I30 HydrophobicContact CD1-CD1 4.22Å; L15-I30 HydrophobicContact CD1-CG1 3.65Å; V26-I30 HydrophobicContact CG1-CD1 4.4Å; V26-I30 WeakPolarHBondContact O-CG1 3.37Å; V26-I30 PolarHBondContact O-N 2.8Å; K27-I30 WeakPolarHBondContact O-CB 3.37Å; K27-I30 PolarHBondContact O-N 3.21Å; K27-I30 VanDerWaalsContact O-N 3.1Å; A28-I30 PolarHBondContact O-N 2.86Å; I30-D32 VanDerWaalsContact C-N 3.33Å; I30-D32 PolarHBondContact O-N 3.33Å; I30-K33 PolarHBondContact O-N 2.83Å; I30-E34 HydrophobicContact CG2-CB 4.4Å; I30-E34 HydrophobicContact CG2-CG 4.44Å; I30-E34 WeakPolarHBondContact O-CB 3.42Å; I30-E34 PolarHBondContact O-N 3.27Å; I30-Q41 VanDerWaalsContact CB-OE1 3.28Å; I30-Q41 VanDerWaalsContact CD1-OE1 3.29Å; I30-Q41 HydrophobicContact CG2-CG 4.47Å; I30-L43 HydrophobicContact CD1-CD1 4.07Å; I30-L43 HydrophobicContact CD1-CD2 3.72Å; I30-L43 HydrophobicContact CD1-CG 4.42Å; I30-L69 HydrophobicContact CG2-CD2 4.14Å |
| 31 | Q | 88.8 | Confident | 90.6 | Very high | 47 Ų | 47 | 44.6 Ų | 44.6 | 22% | 0.22 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58 | -46.8 | 174.7 | -177.2 | -177.2 | 14.3 | 0 | 0 | 110.9 | K27 A28 K33 E34 G35 I36 P38 | K27-Q31 PolarHBondContact O-N 2.9Å; A28-Q31 WeakPolarHBondContact O-CA 3.42Å; A28-Q31 VanDerWaalsContact O-CB 3.29Å; A28-Q31 WeakPolarHBondContact O-CB 3.47Å; A28-Q31 PolarHBondContact O-N 2.94Å; Q31-K33 PolarHBondContact O-N 3.48Å; Q31-E34 PolarHBondContact O-N 3.13Å; Q31-G35 WeakPolarHBondContact O-CA 3.32Å; Q31-G35 PolarHBondContact O-N 2.92Å; Q31-I36 VanDerWaalsContact CA-O 3.26Å; Q31-I36 WeakPolarHBondContact CA-O 3.4Å; Q31-I36 WeakPolarHBondContact CB-O 3.49Å; Q31-P38 HydrophobicContact CB-CG 4.47Å; Q31-P38 VanDerWaalsContact CD-CD 3.5Å |
| 32 | D | 83.2 | Confident | 90.5 | Very high | 134 Ų | 134 | 47.1 Ų | 47.1 | 72% | 0.717 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -60.8 | -33.6 | 179 | -65.7 | -24.6 | 0 | 0 | 0 | 112.6 | A28 I30 | A28-D32 PolarHBondContact O-N 2.9Å; I30-D32 VanDerWaalsContact C-N 3.33Å; I30-D32 PolarHBondContact O-N 3.33Å |
| 33 | K | 85.7 | Confident | 90.4 | Very high | 121 Ų | 121 | 45.5 Ų | 45.5 | 53% | 0.526 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -88.5 | -33.2 | -178.6 | -75 | -158 | 179.8 | -161.1 | 0 | 114.7 | I13 T14 L15 K29 I30 Q31 | I13-K33 HydrophobicContact CG2-CD 4.23Å; T14-K33 PolarHBondContact O-NZ 3.43Å; L15-K33 HydrophobicContact CD2-CD 3.81Å; L15-K33 HydrophobicContact CD2-CG 4.48Å; K29-K33 PolarHBondContact O-N 3.03Å; I30-K33 PolarHBondContact O-N 2.83Å; Q31-K33 PolarHBondContact O-N 3.48Å |
| 34 | E | 86.6 | Confident | 90.3 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 28% | 0.28 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -123.5 | -4.7 | -166.4 | -61.3 | -72.6 | 138.8 | 0 | 0 | 112.9 | K11 I13 I30 Q31 I36 | K11-E34 WeakPolarHBondContact CE-OE1 3.24Å; K11-E34 WeakPolarHBondContact CE-OE2 3.42Å; K11-E34 IonicContact NZ-OE1 3.29Å; K11-E34 PolarHBondContact NZ-OE1 3.41Å; K11-E34 IonicContact NZ-OE2 2.98Å; K11-E34 PolarHBondContact NZ-OE2 3.49Å; I13-E34 HydrophobicContact CD1-CG 3.62Å; I13-E34 HydrophobicContact CG1-CG 4.01Å; I13-E34 HydrophobicContact CG2-CG 4.38Å; I30-E34 HydrophobicContact CG2-CB 4.4Å; I30-E34 HydrophobicContact CG2-CG 4.44Å; I30-E34 WeakPolarHBondContact O-CB 3.42Å; I30-E34 PolarHBondContact O-N 3.27Å; Q31-E34 PolarHBondContact O-N 3.13Å; E34-I36 HydrophobicContact CB-CD1 3.91Å; E34-I36 HydrophobicContact CB-CG1 3.87Å; E34-I36 PolarHBondContact O-N 2.9Å |
| 35 | G | 83.3 | Confident | 90.5 | Very high | 62 Ų | 62 | 44.2 Ų | 44.2 | 64% | 0.639 | 24% | 0.235 | S | C | * | . | trans | 70.4 | 11 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q31 P37 | Q31-G35 WeakPolarHBondContact O-CA 3.32Å; Q31-G35 PolarHBondContact O-N 2.92Å; G35-P37 WeakPolarHBondContact O-CD 3.39Å | ||
| 36 | I | 85.5 | Confident | 90.4 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 14% | 0.138 | 25% | 0.249 | C | C | . | . | trans | -89.6 | 120.1 | -174.1 | -53.4 | 177.9 | 0 | 0 | 0 | 109.5 | Q31 E34 Q40 Q41 L69 L71 | Q31-I36 VanDerWaalsContact CA-O 3.26Å; Q31-I36 WeakPolarHBondContact CA-O 3.4Å; Q31-I36 WeakPolarHBondContact CB-O 3.49Å; E34-I36 HydrophobicContact CB-CD1 3.91Å; E34-I36 HydrophobicContact CB-CG1 3.87Å; E34-I36 PolarHBondContact O-N 2.9Å; I36-Q40 HydrophobicContact CG2-CB 4.32Å; I36-Q41 HydrophobicContact CB-CG 4.32Å; I36-Q41 HydrophobicContact CG2-CG 3.66Å; I36-Q41 PolarHBondContact O-NE2 2.88Å; I36-L69 HydrophobicContact CD1-CD2 4.14Å; I36-L71 HydrophobicContact CD1-CD1 4.5Å; I36-L71 HydrophobicContact CD1-CD2 3.89Å; I36-L71 HydrophobicContact CG2-CD2 3.7Å | ||
| 37 | P | 85.1 | Confident | 90.2 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 8% | 0.078 | 29% | 0.287 | C | S | . | . | trans | -60.1 | 138.5 | 178.4 | -28.6 | 38.5 | 0 | 0 | 0 | 113.8 | G35 D39 Q40 Q41 | G35-P37 WeakPolarHBondContact O-CD 3.39Å; P37-D39 VanDerWaalsContact C-N 3.26Å; P37-D39 WeakPolarHBondContact CB-OD1 3.32Å; P37-D39 PolarHBondContact O-N 3.11Å; P37-Q40 HydrophobicContact CB-CG 4.23Å; P37-Q40 WeakPolarHBondContact O-CA 3.28Å; P37-Q40 WeakPolarHBondContact O-CB 3.31Å; P37-Q40 PolarHBondContact O-N 2.93Å; P37-Q41 WeakPolarHBondContact O-CG 3.37Å; P37-Q41 PolarHBondContact O-N 3.09Å | ||
| 38 | P | 88.6 | Confident | 90.2 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -52.9 | -33.9 | -178.5 | -31.9 | 35.9 | 0 | 0 | 0 | 115.9 | K27 Q31 Q40 Q41 E94 | K27-P38 HydrophobicContact CB-CB 3.85Å; K27-P38 HydrophobicContact CB-CG 4.35Å; K27-P38 HydrophobicContact CD-CB 4.27Å; K27-P38 WeakPolarHBondContact CD-O 3.47Å; K27-P38 PolarHBondContact NZ-O 2.95Å; K27-P38 VanDerWaalsContact NZ-O 3.13Å; Q31-P38 HydrophobicContact CB-CG 4.47Å; Q31-P38 VanDerWaalsContact CD-CD 3.5Å; P38-Q40 VanDerWaalsContact C-N 3.34Å; P38-Q41 WeakPolarHBondContact O-CB 3.43Å; P38-Q41 PolarHBondContact O-N 3.32Å; P38-Q41 VanDerWaalsContact O-N 3.17Å; P38-E94 WeakPolarHBondContact CD-OE1 3.47Å |
| 39 | D | 83.2 | Confident | 90.4 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.219 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -71.3 | -28.7 | 178.1 | 71.7 | -38.5 | 0 | 0 | 0 | 112.9 | P37 Q41 G76 | P37-D39 VanDerWaalsContact C-N 3.26Å; P37-D39 WeakPolarHBondContact CB-OD1 3.32Å; P37-D39 PolarHBondContact O-N 3.11Å; D39-Q41 VanDerWaalsContact C-N 3.27Å; D39-G76 WeakPolarHBondContact OD2-CA 3.25Å; D39-G76 PolarHBondContact OD2-N 2.95Å |
| 40 | Q | 86.6 | Confident | 90.5 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 22% | 0.22 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -79.2 | -12.1 | 171.5 | -62.2 | -177.1 | 12.3 | 0 | 0 | 112.3 | I36 P37 P38 L71 R72 | I36-Q40 HydrophobicContact CG2-CB 4.32Å; P37-Q40 HydrophobicContact CB-CG 4.23Å; P37-Q40 WeakPolarHBondContact O-CA 3.28Å; P37-Q40 WeakPolarHBondContact O-CB 3.31Å; P37-Q40 PolarHBondContact O-N 2.93Å; P38-Q40 VanDerWaalsContact C-N 3.34Å; Q40-L71 CarbonylContact O-C 3.56Å; Q40-L71 WeakPolarHBondContact O-CA 3.46Å; Q40-R72 PolarHBondContact O-N 3.38Å |
| 41 | Q | 91.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126.9 | 179.6 | -61.2 | 176 | 39.6 | 0 | 0 | 111.7 | K27 I30 I36 P37 P38 D39 L69 | K27-Q41 HydrophobicContact CD-CB 4.31Å; K27-Q41 WeakPolarHBondContact CE-O 2.87Å; K27-Q41 HydrophobicContact CG-CB 4.04Å; K27-Q41 PolarHBondContact NZ-O 3.49Å; K27-Q41 PolarHBondContact O-NE2 2.94Å; K27-Q41 PolarHBondContact O-OE1 3.36Å; I30-Q41 VanDerWaalsContact CB-OE1 3.28Å; I30-Q41 VanDerWaalsContact CD1-OE1 3.29Å; I30-Q41 HydrophobicContact CG2-CG 4.47Å; I36-Q41 HydrophobicContact CB-CG 4.32Å; I36-Q41 HydrophobicContact CG2-CG 3.66Å; I36-Q41 PolarHBondContact O-NE2 2.88Å; P37-Q41 WeakPolarHBondContact O-CG 3.37Å; P37-Q41 PolarHBondContact O-N 3.09Å; P38-Q41 WeakPolarHBondContact O-CB 3.43Å; P38-Q41 PolarHBondContact O-N 3.32Å; P38-Q41 VanDerWaalsContact O-N 3.17Å; D39-Q41 VanDerWaalsContact C-N 3.27Å; Q41-L69 HydrophobicContact CB-CD1 3.76Å; Q41-L69 HydrophobicContact CG-CD1 3.96Å |
| 42 | R | 93.8 | Very high | 90.8 | Very high | 75 Ų | 75 | 60 Ų | 60 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 113.7 | 164 | -178.6 | -174.5 | -73.3 | 174.9 | -7.9 | 109.2 | I44 Q49 V70 R72 | R42-I44 HydrophobicContact CG-CG1 4.38Å; R42-Q49 HydrophobicContact CG-CG 3.93Å; R42-V70 HydrophobicContact CB-CB 4.24Å; R42-V70 WeakPolarHBondContact CB-O 3.09Å; R42-V70 PolarHBondContact N-O 2.86Å; R42-V70 PolarHBondContact O-N 2.91Å; R42-R72 HydrophobicContact CB-CG 4.19Å |
| 43 | L | 96.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 136.5 | 175.4 | -62.7 | 178.3 | 0 | 0 | 0 | 110.8 | V5 I23 V26 K27 I30 L50 L67 H68 L69 | V5-L43 HydrophobicContact CG1-CD2 4.11Å; I23-L43 HydrophobicContact CG2-CD1 4.24Å; V26-L43 HydrophobicContact CB-CD1 4.41Å; V26-L43 HydrophobicContact CG1-CD1 3.8Å; K27-L43 HydrophobicContact CG-CD1 3.95Å; K27-L43 HydrophobicContact CG-CG 4.41Å; I30-L43 HydrophobicContact CD1-CD1 4.07Å; I30-L43 HydrophobicContact CD1-CD2 3.72Å; I30-L43 HydrophobicContact CD1-CG 4.42Å; L43-L50 HydrophobicContact CB-CB 4.2Å; L43-L50 HydrophobicContact CB-CD1 3.88Å; L43-L50 HydrophobicContact CB-CG 4.21Å; L43-L50 PolarHBondContact O-N 2.8Å; L43-L67 HydrophobicContact CB-CD2 4.49Å; L43-L67 HydrophobicContact CD1-CD2 4.27Å; L43-H68 WeakPolarHBondContact CA-O 3.3Å; L43-L69 HydrophobicContact CD2-CB 4.2Å; L43-L69 HydrophobicContact CD2-CD1 3.82Å |
| 44 | I | 96.9 | Very high | 91.9 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.7 | -179.7 | -57.2 | 176.5 | 0 | 0 | 0 | 109.2 | R42 K48 H68 V70 | R42-I44 HydrophobicContact CG-CG1 4.38Å; I44-K48 VanDerWaalsContact CA-O 3.29Å; I44-K48 WeakPolarHBondContact CA-O 3.26Å; I44-H68 HydrophobicContact CB-CB 4.28Å; I44-H68 PolarHBondContact N-O 2.92Å; I44-H68 PolarHBondContact O-N 3.35Å; I44-V70 HydrophobicContact CD1-CG2 3.71Å |
| 45 | F | 97.6 | Very high | 92.5 | Very high | 40 Ų | 40 | 54.9 Ų | 54.9 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 136 | 172.5 | -175.5 | -110.6 | 0 | 0 | 0 | 110 | G47 K48 L50 I61 L67 | F45-G47 PolarHBondContact O-N 2.96Å; F45-G47 VanDerWaalsContact O-N 3.13Å; F45-K48 PolarHBondContact N-O 3.14Å; F45-K48 PolarHBondContact O-N 2.82Å; F45-L50 HydrophobicContact CB-CD1 4.16Å; F45-L50 HydrophobicContact CB-CD2 3.93Å; F45-L50 HydrophobicContact CB-CG 4.35Å; F45-I61 HydrophobicContact CB-CD1 4.28Å; F45-I61 HydrophobicContact CD1-CD1 4.15Å; F45-I61 HydrophobicContact CD1-CG1 3.52Å; F45-I61 HydrophobicContact CD2-CG1 4.29Å; F45-I61 HydrophobicContact CE1-CG1 3.65Å; F45-I61 HydrophobicContact CE2-CG1 4.41Å; F45-I61 HydrophobicContact CG-CD1 4.15Å; F45-I61 HydrophobicContact CG-CG1 3.86Å; F45-I61 HydrophobicContact CZ-CG1 4.11Å; F45-L67 HydrophobicContact CB-CG 4.37Å; F45-L67 HydrophobicContact CD2-CD1 4.17Å; F45-L67 HydrophobicContact CD2-CG 4.39Å |
| 46 | A | 94.8 | Very high | 93.2 | Very high | 86 Ų | 86 | 51.9 Ų | 51.9 | 71% | 0.711 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 39.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | K48 | A46-K48 PolarHBondContact O-N 3.44Š|
| 47 | G | 92.4 | Very high | 93.7 | Very high | 78 Ų | 78 | 53.4 Ų | 53.4 | 80% | 0.804 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 2.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | F45 | F45-G47 PolarHBondContact O-N 2.96Å; F45-G47 VanDerWaalsContact O-N 3.13Å |
| 48 | K | 94.5 | Very high | 94.3 | Very high | 139 Ų | 139 | 57.1 Ų | 57.1 | 60% | 0.604 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 137.5 | 178.2 | -63.5 | -177.7 | -179.5 | 178.7 | 0 | 110.9 | I44 F45 A46 | I44-K48 VanDerWaalsContact CA-O 3.29Å; I44-K48 WeakPolarHBondContact CA-O 3.26Å; F45-K48 PolarHBondContact N-O 3.14Å; F45-K48 PolarHBondContact O-N 2.82Å; A46-K48 PolarHBondContact O-N 3.44Å |
| 49 | Q | 95.3 | Very high | 94.7 | Very high | 100 Ų | 100 | 57.7 Ų | 57.7 | 47% | 0.467 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 132.6 | 166.4 | -178.5 | 178.5 | -31.7 | 0 | 0 | 109 | R42 | R42-Q49 HydrophobicContact CG-CG 3.93Å |
| 50 | L | 97 | Very high | 95.4 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.016 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 137.8 | 178.2 | -55.1 | -172.3 | 0 | 0 | 0 | 110.4 | I23 L43 F45 Y59 I61 L67 | I23-L50 HydrophobicContact CB-CB 4.49Å; I23-L50 HydrophobicContact CD1-CB 3.9Å; I23-L50 HydrophobicContact CD1-CD1 3.61Å; I23-L50 HydrophobicContact CD1-CG 4.28Å; I23-L50 HydrophobicContact CG1-CB 3.88Å; I23-L50 HydrophobicContact CG2-CB 3.81Å; L43-L50 HydrophobicContact CB-CB 4.2Å; L43-L50 HydrophobicContact CB-CD1 3.88Å; L43-L50 HydrophobicContact CB-CG 4.21Å; L43-L50 PolarHBondContact O-N 2.8Å; F45-L50 HydrophobicContact CB-CD1 4.16Å; F45-L50 HydrophobicContact CB-CD2 3.93Å; F45-L50 HydrophobicContact CB-CG 4.35Å; L50-Y59 HydrophobicContact CB-CE2 4.24Å; L50-Y59 HydrophobicContact CD2-CD1 3.58Å; L50-Y59 HydrophobicContact CD2-CD2 3.66Å; L50-Y59 HydrophobicContact CD2-CE1 3.7Å; L50-Y59 HydrophobicContact CD2-CE2 3.75Å; L50-Y59 HydrophobicContact CD2-CG 3.56Å; L50-I61 HydrophobicContact CD1-CD1 3.86Å; L50-L67 HydrophobicContact CD1-CD2 3.61Å; L50-L67 HydrophobicContact CD1-CG 4.21Å |
| 51 | E | 95.7 | Very high | 95.9 | Very high | 101 Ų | 101 | 59.7 Ų | 59.7 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 132.4 | -179.4 | -68 | 169.4 | -163.4 | 0 | 0 | 110.3 | I23 G53 R54 Y59 | I23-E51 VanDerWaalsContact CB-O 3.3Å; I23-E51 WeakPolarHBondContact CB-O 3.08Å; I23-E51 VanDerWaalsContact CG1-O 3.28Å; I23-E51 WeakPolarHBondContact CG1-O 3.46Å; E51-G53 VanDerWaalsContact C-N 3.28Å; E51-G53 PolarHBondContact O-N 2.95Å; E51-R54 HydrophobicContact CB-CG 4.21Å; E51-R54 PolarHBondContact O-N 3.43Å; E51-R54 IonicContact OE1-NH2 2.62Å; E51-R54 PolarHBondContact OE1-NH2 3.46Å; E51-R54 IonicContact OE2-CZ 2.68Å; E51-R54 VanDerWaalsContact OE2-CZ 3.29Å; E51-R54 IonicContact OE2-NE 2.73Å; E51-R54 PolarHBondContact OE2-NE 3.13Å; E51-R54 IonicContact OE2-NH2 2.91Å; E51-R54 PolarHBondContact OE2-NH2 3.33Å; E51-Y59 WeakPolarHBondContact CB-OH 3.38Å; E51-Y59 PolarHBondContact N-OH 2.97Å |
| 52 | D | 93.1 | Very high | 96.1 | Very high | 66 Ų | 66 | 66.1 Ų | 66.1 | 35% | 0.353 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -37.9 | -169.9 | -68.1 | -13 | 0 | 0 | 0 | 113.7 | I23 E24 K27 R54 | I23-D52 PolarHBondContact N-O 3.06Å; E24-D52 HydrophobicContact CB-CB 4.19Å; E24-D52 PolarHBondContact N-O 3.12Å; E24-D52 VanDerWaalsContact N-O 3.08Å; K27-D52 WeakPolarHBondContact CD-OD1 3.43Å; K27-D52 WeakPolarHBondContact CE-OD1 3.15Å; K27-D52 VanDerWaalsContact NZ-CG 3.31Å; K27-D52 IonicContact NZ-OD1 2.78Å; K27-D52 PolarHBondContact NZ-OD1 3.4Å; K27-D52 IonicContact NZ-OD2 3.41Å; K27-D52 PolarHBondContact NZ-OD2 3.25Å; K27-D52 VanDerWaalsContact NZ-OD2 3.13Å; D52-R54 PolarHBondContact O-N 2.93Å |
| 53 | G | 95.2 | Very high | 96.2 | Very high | 72 Ų | 72 | 68.6 Ų | 68.6 | 74% | 0.742 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -2.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | E51 | E51-G53 VanDerWaalsContact C-N 3.28Å; E51-G53 PolarHBondContact O-N 2.95Å |
| 54 | R | 97.6 | Very high | 96.2 | Very high | 108 Ų | 108 | 74 Ų | 74 | 41% | 0.408 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -95.1 | 160.2 | 175.9 | -66.8 | -161.6 | -159.2 | -160.6 | 2.1 | 111.2 | T22 I23 E51 D52 D58 Y59 | T22-R54 CarbonylContact C-O 3.54Å; T22-R54 WeakPolarHBondContact CA-O 3.46Å; I23-R54 WeakPolarHBondContact CG1-O 3.38Å; I23-R54 PolarHBondContact N-O 2.89Å; E51-R54 HydrophobicContact CB-CG 4.21Å; E51-R54 PolarHBondContact O-N 3.43Å; E51-R54 IonicContact OE1-NH2 2.62Å; E51-R54 PolarHBondContact OE1-NH2 3.46Å; E51-R54 IonicContact OE2-CZ 2.68Å; E51-R54 VanDerWaalsContact OE2-CZ 3.29Å; E51-R54 IonicContact OE2-NE 2.73Å; E51-R54 PolarHBondContact OE2-NE 3.13Å; E51-R54 IonicContact OE2-NH2 2.91Å; E51-R54 PolarHBondContact OE2-NH2 3.33Å; D52-R54 PolarHBondContact O-N 2.93Å; R54-D58 HydrophobicContact CB-CB 4.26Å; R54-Y59 HydrophobicContact CB-CD2 4.39Å; R54-Y59 HydrophobicContact CB-CE2 3.61Å; R54-Y59 WeakPolarHBondContact CD-OH 3.49Å; R54-Y59 HydrophobicContact CG-CE2 4.33Å |
| 55 | T | 98.2 | Very high | 96.2 | Very high | 28 Ų | 28 | 72.6 Ų | 72.6 | 17% | 0.172 | 40% | 0.404 | C | S | . | . | B | Isolated β-bridge | trans | -91.8 | 164.5 | 177.5 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | S20 D21 S57 D58 Y59 | S20-T55 WeakPolarHBondContact O-CG2 3.26Å; D21-T55 CarbonylContact O-C 3.55Å; D21-T55 VanDerWaalsContact O-CA 3.23Å; D21-T55 WeakPolarHBondContact O-CA 3.36Å; T55-S57 PolarHBondContact O-N 3.15Å; T55-S57 PolarHBondContact OG1-N 3.19Å; T55-S57 PolarHBondContact OG1-OG 3.12Å; T55-D58 PolarHBondContact N-OD2 3.48Å; T55-D58 PolarHBondContact O-N 2.79Å; T55-D58 PolarHBondContact OG1-N 3.11Å; T55-D58 PolarHBondContact OG1-OD2 3.27Å; T55-Y59 WeakPolarHBondContact O-CD2 3.45Å |
| 56 | L | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -38.3 | 169.6 | -69.8 | -178.7 | 0 | 0 | 0 | 112 | M1 I3 V17 P19 D21 I23 V26 D58 Y59 N60 I61 | M1-L56 HydrophobicContact CE-CD1 4.1Å; I3-L56 HydrophobicContact CD1-CD1 4.3Å; I3-L56 HydrophobicContact CD1-CD2 4.5Å; V17-L56 HydrophobicContact CB-CD1 3.71Å; V17-L56 HydrophobicContact CG1-CD1 4.3Å; V17-L56 HydrophobicContact CG2-CD1 3.46Å; V17-L56 VanDerWaalsContact CG2-CD1 3.46Å; P19-L56 PolarHBondContact O-N 2.91Å; D21-L56 HydrophobicContact CB-CD1 4.32Å; D21-L56 PolarHBondContact O-N 3.34Å; I23-L56 HydrophobicContact CD1-CD2 3.91Å; V26-L56 HydrophobicContact CG2-CD1 3.99Å; V26-L56 HydrophobicContact CG2-CD2 3.94Å; V26-L56 HydrophobicContact CG2-CG 4.01Å; L56-D58 VanDerWaalsContact C-N 3.34Å; L56-D58 PolarHBondContact O-N 3.08Å; L56-Y59 PolarHBondContact O-N 3.33Å; L56-N60 PolarHBondContact O-N 2.71Å; L56-I61 HydrophobicContact CB-CB 4.16Å; L56-I61 HydrophobicContact CD2-CB 4.18Å; L56-I61 HydrophobicContact CD2-CD1 3.53Å; L56-I61 HydrophobicContact CD2-CG1 4.44Å; L56-I61 HydrophobicContact CD2-CG2 4.08Å; L56-I61 WeakPolarHBondContact O-CB 3.42Å; L56-I61 PolarHBondContact O-N 3.2Å |
| 57 | S | 96.9 | Very high | 96.4 | Very high | 59 Ų | 59 | 69.4 Ų | 69.4 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -65.2 | -33.9 | 178.9 | 72.4 | 0 | 0 | 0 | 0 | 113.2 | P19 T55 Y59 N60 | P19-S57 VanDerWaalsContact O-CB 3.31Å; P19-S57 WeakPolarHBondContact O-CB 3.39Å; P19-S57 PolarHBondContact O-N 3.25Å; P19-S57 PolarHBondContact O-OG 3.19Å; T55-S57 PolarHBondContact O-N 3.15Å; T55-S57 PolarHBondContact OG1-N 3.19Å; T55-S57 PolarHBondContact OG1-OG 3.12Å; S57-Y59 PolarHBondContact O-N 3Å; S57-Y59 VanDerWaalsContact O-N 3.17Å; S57-N60 PolarHBondContact O-N 2.7Å |
| 58 | D | 97.7 | Very high | 96.6 | Very high | 89 Ų | 89 | 70 Ų | 70 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -61.9 | -26.3 | 177.1 | -65.1 | -41 | 0 | 0 | 0 | 112.7 | R54 T55 L56 | R54-D58 HydrophobicContact CB-CB 4.26Å; T55-D58 PolarHBondContact N-OD2 3.48Å; T55-D58 PolarHBondContact O-N 2.79Å; T55-D58 PolarHBondContact OG1-N 3.11Å; T55-D58 PolarHBondContact OG1-OD2 3.27Å; L56-D58 VanDerWaalsContact C-N 3.34Å; L56-D58 PolarHBondContact O-N 3.08Å |
| 59 | Y | 97.6 | Very high | 96.6 | Very high | 31 Ų | 31 | 63.6 Ų | 63.6 | 12% | 0.122 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -98.6 | 5.9 | 176.4 | -67.6 | -75.2 | 0 | 0 | 0 | 113.4 | I23 L50 E51 R54 T55 L56 S57 I61 | I23-Y59 HydrophobicContact CD1-CD2 4.33Å; I23-Y59 HydrophobicContact CD1-CE2 4.42Å; I23-Y59 HydrophobicContact CG1-CD2 4.48Å; I23-Y59 HydrophobicContact CG1-CE2 4.11Å; L50-Y59 HydrophobicContact CB-CE2 4.24Å; L50-Y59 HydrophobicContact CD2-CD1 3.58Å; L50-Y59 HydrophobicContact CD2-CD2 3.66Å; L50-Y59 HydrophobicContact CD2-CE1 3.7Å; L50-Y59 HydrophobicContact CD2-CE2 3.75Å; L50-Y59 HydrophobicContact CD2-CG 3.56Å; E51-Y59 WeakPolarHBondContact CB-OH 3.38Å; E51-Y59 PolarHBondContact N-OH 2.97Å; R54-Y59 HydrophobicContact CB-CD2 4.39Å; R54-Y59 HydrophobicContact CB-CE2 3.61Å; R54-Y59 WeakPolarHBondContact CD-OH 3.49Å; R54-Y59 HydrophobicContact CG-CE2 4.33Å; T55-Y59 WeakPolarHBondContact O-CD2 3.45Å; L56-Y59 PolarHBondContact O-N 3.33Å; S57-Y59 PolarHBondContact O-N 3Å; S57-Y59 VanDerWaalsContact O-N 3.17Å; Y59-I61 PolarHBondContact O-N 3.36Å |
| 60 | N | 97 | Very high | 96.4 | Very high | 124 Ų | 124 | 60.4 Ų | 60.4 | 66% | 0.663 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 37.1 | -172.9 | -59.8 | -67.5 | 0 | 0 | 0 | 112.7 | L56 S57 Q62 | L56-N60 PolarHBondContact O-N 2.71Å; S57-N60 PolarHBondContact O-N 2.7Å; N60-Q62 PolarHBondContact O-N 3.49Å |
| 61 | I | 97.3 | Very high | 96 | Very high | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | trans | -76.1 | 118.6 | 174.9 | -64.8 | 166.7 | 0 | 0 | 0 | 107.5 | M1 I3 F45 L50 L56 Y59 L67 | M1-I61 WeakPolarHBondContact CE-O 3.49Å; I3-I61 HydrophobicContact CG2-CG2 4.14Å; F45-I61 HydrophobicContact CB-CD1 4.28Å; F45-I61 HydrophobicContact CD1-CD1 4.15Å; F45-I61 HydrophobicContact CD1-CG1 3.52Å; F45-I61 HydrophobicContact CD2-CG1 4.29Å; F45-I61 HydrophobicContact CE1-CG1 3.65Å; F45-I61 HydrophobicContact CE2-CG1 4.41Å; F45-I61 HydrophobicContact CG-CD1 4.15Å; F45-I61 HydrophobicContact CG-CG1 3.86Å; F45-I61 HydrophobicContact CZ-CG1 4.11Å; L50-I61 HydrophobicContact CD1-CD1 3.86Å; L56-I61 HydrophobicContact CB-CB 4.16Å; L56-I61 HydrophobicContact CD2-CB 4.18Å; L56-I61 HydrophobicContact CD2-CD1 3.53Å; L56-I61 HydrophobicContact CD2-CG1 4.44Å; L56-I61 HydrophobicContact CD2-CG2 4.08Å; L56-I61 WeakPolarHBondContact O-CB 3.42Å; L56-I61 PolarHBondContact O-N 3.2Å; Y59-I61 PolarHBondContact O-N 3.36Å; I61-L67 HydrophobicContact CD1-CD1 4.2Å; I61-L67 HydrophobicContact CD1-CD2 4.26Å; I61-L67 HydrophobicContact CD1-CG 4.38Å; I61-L67 HydrophobicContact CG2-CD1 3.9Å | ||
| 62 | Q | 95.3 | Very high | 95.4 | Very high | 136 Ų | 136 | 64.9 Ų | 64.9 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | trans | -105.7 | 173 | -177.1 | -64.3 | -176.8 | -6.2 | 0 | 0 | 111.4 | N60 E64 S65 | N60-Q62 PolarHBondContact O-N 3.49Å; Q62-E64 PolarHBondContact O-N 3.5Å; Q62-S65 PolarHBondContact N-OG 2.88Å; Q62-S65 WeakPolarHBondContact O-CB 3.38Å; Q62-S65 PolarHBondContact O-N 2.74Å; Q62-S65 PolarHBondContact O-OG 2.82Å | ||
| 63 | K | 96.8 | Very high | 94.1 | Very high | 127 Ų | 127 | 69.1 Ų | 69.1 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 139.4 | 168.9 | -170.4 | -169.1 | 174.1 | -141.7 | 0 | 110 | M1 S65 | M1-K63 HydrophobicContact CB-CB 4.27Å; M1-K63 HydrophobicContact CB-CG 4.32Å; M1-K63 HydrophobicContact SD-CB 4.39Å; M1-K63 PolarHBondContact SD-N 3.42Å; K63-S65 PolarHBondContact O-N 2.99Å; K63-S65 VanDerWaalsContact O-N 3.17Å |
| 64 | E | 96.1 | Very high | 92.6 | Very high | 113 Ų | 113 | 76 Ų | 76 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 8.8 | -179.3 | -67.3 | 156.8 | -144.5 | 0 | 0 | 114.8 | Q2 F4 Q62 | Q2-E64 PolarHBondContact O-N 3.3Å; F4-E64 HydrophobicContact CE2-CB 4.03Å; F4-E64 HydrophobicContact CE2-CG 4.06Å; Q62-E64 PolarHBondContact O-N 3.5Å |
| 65 | S | 97.2 | Very high | 90.9 | Very high | 20 Ų | 20 | 73.6 Ų | 73.6 | 14% | 0.14 | 37% | 0.373 | C | S | . | . | trans | -63 | 146.1 | 170.7 | -66.2 | 0 | 0 | 0 | 0 | 111.5 | F4 Q62 K63 | F4-S65 PolarHBondContact N-O 3.27Å; Q62-S65 PolarHBondContact N-OG 2.88Å; Q62-S65 WeakPolarHBondContact O-CB 3.38Å; Q62-S65 PolarHBondContact O-N 2.74Å; Q62-S65 PolarHBondContact O-OG 2.82Å; K63-S65 PolarHBondContact O-N 2.99Å; K63-S65 VanDerWaalsContact O-N 3.17Å | ||
| 66 | T | 97.4 | Very high | 89.8 | Confident | 59 Ų | 59 | 73 Ų | 73 | 36% | 0.362 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 116 | 176.7 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | F4 K6 | F4-T66 HydrophobicContact CB-CG2 4.35Å; F4-T66 CarbonylContact O-C 3.51Å; F4-T66 WeakPolarHBondContact O-CA 3.11Å; K6-T66 HydrophobicContact CB-CG2 4.06Å |
| 67 | L | 97.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 154 | 169.8 | -73.7 | 64.4 | 0 | 0 | 0 | 109.2 | I3 F4 V5 K6 L43 F45 L50 I61 | I3-L67 HydrophobicContact CD1-CD1 4.14Å; I3-L67 HydrophobicContact CD1-CD2 4.4Å; F4-L67 PolarHBondContact O-N 3.23Å; V5-L67 CarbonylContact C-O 3.5Å; V5-L67 WeakPolarHBondContact CA-O 3.5Å; V5-L67 HydrophobicContact CG2-CB 4.37Å; K6-L67 PolarHBondContact N-O 3.32Å; L43-L67 HydrophobicContact CB-CD2 4.49Å; L43-L67 HydrophobicContact CD1-CD2 4.27Å; F45-L67 HydrophobicContact CB-CG 4.37Å; F45-L67 HydrophobicContact CD2-CD1 4.17Å; F45-L67 HydrophobicContact CD2-CG 4.39Å; L50-L67 HydrophobicContact CD1-CD2 3.61Å; L50-L67 HydrophobicContact CD1-CG 4.21Å; I61-L67 HydrophobicContact CD1-CD1 4.2Å; I61-L67 HydrophobicContact CD1-CD2 4.26Å; I61-L67 HydrophobicContact CD1-CG 4.38Å; I61-L67 HydrophobicContact CG2-CD1 3.9Å |
| 68 | H | 96.8 | Very high | 89.2 | Confident | 91 Ų | 91 | 74 Ų | 74 | 42% | 0.421 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129 | 172.7 | -65.8 | 74.2 | 0 | 0 | 0 | 109.8 | K6 L43 I44 | K6-H68 WeakPolarHBondContact O-CA 3.39Å; L43-H68 WeakPolarHBondContact CA-O 3.3Å; I44-H68 HydrophobicContact CB-CB 4.28Å; I44-H68 PolarHBondContact N-O 2.92Å; I44-H68 PolarHBondContact O-N 3.35Å |
| 69 | L | 95.1 | Very high | 89.1 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.8 | 175.2 | 176.6 | 62.4 | 0 | 0 | 0 | 110.2 | V5 K6 T7 I30 I36 Q41 L43 L71 | V5-L69 HydrophobicContact CG1-CB 3.61Å; V5-L69 HydrophobicContact CG1-CD2 4.47Å; K6-L69 PolarHBondContact O-N 2.99Å; T7-L69 HydrophobicContact CG2-CD2 4.41Å; I30-L69 HydrophobicContact CG2-CD2 4.14Å; I36-L69 HydrophobicContact CD1-CD2 4.14Å; Q41-L69 HydrophobicContact CB-CD1 3.76Å; Q41-L69 HydrophobicContact CG-CD1 3.96Å; L43-L69 HydrophobicContact CD2-CB 4.2Å; L43-L69 HydrophobicContact CD2-CD1 3.82Å; L69-L71 HydrophobicContact CD1-CD2 4.23Å; L69-L71 HydrophobicContact CD2-CD2 4.03Å; L69-L71 HydrophobicContact CG-CD2 4Å |
| 70 | V | 91.9 | Very high | 89.1 | Confident | 34 Ų | 34 | 70.9 Ų | 70.9 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.5 | 170.9 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | L8 R42 I44 | L8-V70 HydrophobicContact CD1-CG1 4.46Å; L8-V70 HydrophobicContact CD1-CG2 4.46Å; R42-V70 HydrophobicContact CB-CB 4.24Å; R42-V70 WeakPolarHBondContact CB-O 3.09Å; R42-V70 PolarHBondContact N-O 2.86Å; R42-V70 PolarHBondContact O-N 2.91Å; I44-V70 HydrophobicContact CD1-CG2 3.71Å |
| 71 | L | 87.9 | Confident | 89.2 | Confident | 97 Ų | 97 | 65 Ų | 65 | 51% | 0.508 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 133.5 | 178.9 | -56.8 | -177.8 | 0 | 0 | 0 | 110.8 | I36 Q40 L69 | I36-L71 HydrophobicContact CD1-CD1 4.5Å; I36-L71 HydrophobicContact CD1-CD2 3.89Å; I36-L71 HydrophobicContact CG2-CD2 3.7Å; Q40-L71 CarbonylContact O-C 3.56Å; Q40-L71 WeakPolarHBondContact O-CA 3.46Å; L69-L71 HydrophobicContact CD1-CD2 4.23Å; L69-L71 HydrophobicContact CD2-CD2 4.03Å; L69-L71 HydrophobicContact CG-CD2 4Å |
| 72 | R | 82.3 | Confident | 89.2 | Confident | 101 Ų | 101 | 69 Ų | 69 | 38% | 0.381 | 34% | 0.34 | S | S | . | . | trans | -100.7 | 129.8 | 174.6 | -54.9 | 179.9 | 95 | 168.9 | -1.9 | 108.2 | Q40 R42 | Q40-R72 PolarHBondContact O-N 3.38Å; R42-R72 HydrophobicContact CB-CG 4.19Å | ||
| 73 | L | 67.4 | Low | 89.1 | Confident | 154 Ų | 154 | 63.6 Ų | 63.6 | 81% | 0.806 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -81.2 | -18.9 | -176 | -67.8 | 171 | 0 | 0 | 0 | 113.9 | ||
| 74 | R | 63.4 | Low | 88.7 | Confident | 217 Ų | 217 | 64.1 Ų | 64.1 | 82% | 0.819 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -156.1 | 103.4 | -171.5 | -59.8 | -176.6 | -169.8 | 168.5 | 2.9 | 110.3 | ||
| 75 | G | 60.6 | Low | 88.4 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 59% | 0.588 | 34% | 0.337 | S | S | * | . | trans | -153 | -16.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 76 | G | 75.9 | Confident | 88 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -103.9 | -168 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | D39 | D39-G76 WeakPolarHBondContact OD2-CA 3.25Å; D39-G76 PolarHBondContact OD2-N 2.95Å |
| 77 | M | 89 | Confident | 87.8 | Confident | 31 Ų | 31 | 68 Ų | 68 | 15% | 0.153 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 123.8 | 167.5 | 166.6 | 171.6 | 157.6 | 0 | 0 | 108.8 | I79 V93 P95 L132 I137 K139 | M77-I79 HydrophobicContact CE-CG2 3.92Å; M77-V93 WeakPolarHBondContact CB-O 3.4Å; M77-V93 HydrophobicContact CE-CG2 4.11Å; M77-V93 HydrophobicContact CG-CG2 4.03Å; M77-V93 WeakPolarHBondContact O-CG2 3.38Å; M77-V93 PolarHBondContact O-N 2.84Å; M77-P95 HydrophobicContact SD-CG 3.83Å; M77-L132 HydrophobicContact CE-CD1 4.25Å; M77-I137 HydrophobicContact CE-CG2 4.49Å; M77-I137 WeakPolarHBondContact CE-O 3.45Å; M77-K139 HydrophobicContact CG-CB 3.99Å |
| 78 | Q | 91.9 | Very high | 87.7 | Confident | 49 Ų | 49 | 71.6 Ų | 71.6 | 23% | 0.229 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 144.9 | 174.1 | -70.8 | 177.1 | 4.9 | 0 | 0 | 110 | T90 L91 E92 K139 E140 | Q78-T90 HydrophobicContact CB-CG2 4.21Å; Q78-T90 HydrophobicContact CG-CG2 4.2Å; Q78-L91 CarbonylContact C-O 3.59Å; Q78-L91 VanDerWaalsContact CA-O 3.26Å; Q78-L91 WeakPolarHBondContact CA-O 3.43Å; Q78-E92 WeakPolarHBondContact CG-OE1 3.18Å; Q78-E92 WeakPolarHBondContact CG-OE2 3.08Å; Q78-E92 PolarHBondContact NE2-OE1 3.4Å; Q78-K139 CarbonylContact O-C 3.45Å; Q78-E140 PolarHBondContact O-N 2.89Å |
| 79 | I | 96.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 160.8 | 165.3 | 63.3 | 172 | 0 | 0 | 0 | 109.5 | M77 L91 V93 V102 L132 I137 L143 | M77-I79 HydrophobicContact CE-CG2 3.92Å; I79-L91 HydrophobicContact CG1-CB 4Å; I79-L91 PolarHBondContact N-O 2.74Å; I79-L91 PolarHBondContact O-N 3.21Å; I79-V93 HydrophobicContact CB-CG2 4.3Å; I79-V93 HydrophobicContact CD1-CG1 3.88Å; I79-V93 HydrophobicContact CD1-CG2 4.09Å; I79-V93 HydrophobicContact CG1-CG1 3.92Å; I79-V93 HydrophobicContact CG1-CG2 3.82Å; I79-V93 HydrophobicContact CG2-CG2 3.73Å; I79-V102 HydrophobicContact CD1-CG1 4.25Å; I79-L132 HydrophobicContact CD1-CD1 4.17Å; I79-L132 HydrophobicContact CD1-CD2 4.26Å; I79-I137 HydrophobicContact CG2-CG2 3.91Å; I79-L143 HydrophobicContact CD1-CD1 4.13Å; I79-L143 HydrophobicContact CD1-CD2 4.23Å |
| 80 | F | 97.8 | Very high | 87.5 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 23% | 0.232 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.9 | 177 | -56.4 | -71 | 0 | 0 | 0 | 110.2 | T88 I89 T90 E140 S141 T142 L143 | F80-T88 HydrophobicContact CB-CG2 3.91Å; F80-T88 HydrophobicContact CD1-CG2 4.03Å; F80-T88 HydrophobicContact CG-CG2 4.3Å; F80-I89 CarbonylContact C-O 3.56Å; F80-I89 WeakPolarHBondContact CA-O 3.43Å; F80-T90 HydrophobicContact CD1-CG2 4.35Å; F80-T90 HydrophobicContact CE1-CG2 4.09Å; F80-E140 WeakPolarHBondContact CD2-O 3.2Å; F80-E140 HydrophobicContact CE2-CB 3.85Å; F80-E140 HydrophobicContact CE2-CG 3.94Å; F80-E140 HydrophobicContact CZ-CG 4.38Å; F80-S141 PolarHBondContact N-O 3.17Å; F80-T142 HydrophobicContact CB-CG2 4.35Å; F80-T142 CarbonylContact O-C 3.59Å; F80-T142 WeakPolarHBondContact O-CA 3.37Å; F80-L143 PolarHBondContact O-N 3.49Å |
| 81 | V | 98.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 113.2 | 173.3 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | I89 L91 I106 L119 L143 L145 | V81-I89 HydrophobicContact CB-CB 4.33Å; V81-I89 PolarHBondContact N-O 3.35Å; V81-I89 PolarHBondContact O-N 2.9Å; V81-L91 HydrophobicContact CG2-CD1 3.53Å; V81-L91 HydrophobicContact CG2-CG 4.14Å; V81-I106 HydrophobicContact CG1-CD1 4.1Å; V81-I106 HydrophobicContact CG2-CD1 4.15Å; V81-L119 HydrophobicContact CG1-CD2 4.16Å; V81-L143 WeakPolarHBondContact CA-O 3.4Å; V81-L143 HydrophobicContact CG2-CB 4.36Å; V81-L145 HydrophobicContact CG1-CB 3.55Å; V81-L145 HydrophobicContact CG1-CD2 4.39Å |
| 82 | K | 97.5 | Very high | 87.5 | Confident | 89 Ų | 89 | 65.1 Ų | 65.1 | 39% | 0.387 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 124.9 | -179.5 | -163.6 | 172.4 | -173.6 | 176.8 | 0 | 110.4 | K87 T142 L143 H144 L145 | K82-K87 WeakPolarHBondContact CA-O 3.46Å; K82-T142 HydrophobicContact CB-CG2 4.08Å; K82-L143 PolarHBondContact N-O 3.39Å; K82-H144 WeakPolarHBondContact O-CA 3.02Å; K82-L145 PolarHBondContact O-N 3.35Å |
| 83 | T | 94 | Very high | 87.9 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 14% | 0.141 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 163.4 | 174.2 | 71.5 | 0 | 0 | 0 | 0 | 110.7 | T85 G86 K87 I89 L145 | T83-T85 PolarHBondContact O-N 3.26Å; T83-T85 PolarHBondContact OG1-N 3.31Å; T83-T85 PolarHBondContact OG1-OG1 3.4Å; T83-G86 PolarHBondContact O-N 2.85Å; T83-K87 HydrophobicContact CG2-CB 4.23Å; T83-K87 PolarHBondContact N-O 2.9Å; T83-K87 WeakPolarHBondContact OG1-CB 3.13Å; T83-K87 PolarHBondContact OG1-N 3.46Å; T83-K87 PolarHBondContact OG1-O 2.79Å; T83-I89 HydrophobicContact CG2-CD1 3.92Å; T83-L145 HydrophobicContact CG2-CD2 4.47Å |
| 84 | L | 88.8 | Confident | 89 | Confident | 138 Ų | 138 | 55 Ų | 55 | 72% | 0.723 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.4 | 172.4 | -67.2 | 177.8 | 0 | 0 | 0 | 113.6 | G86 V146 | L84-G86 PolarHBondContact O-N 3.26Å; L84-V146 HydrophobicContact CD1-CG1 4.26Å; L84-V146 HydrophobicContact CD1-CG2 4.39Å; L84-V146 HydrophobicContact CD2-CG2 4.22Å; L84-V146 HydrophobicContact CG-CG2 4.38Å |
| 85 | T | 88.5 | Confident | 90.4 | Very high | 129 Ų | 129 | 47.8 Ų | 47.8 | 79% | 0.791 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -3.2 | 176 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | T83 | T83-T85 PolarHBondContact O-N 3.26Å; T83-T85 PolarHBondContact OG1-N 3.31Å; T83-T85 PolarHBondContact OG1-OG1 3.4Å |
| 86 | G | 88.6 | Confident | 91.8 | Very high | 42 Ų | 42 | 48.5 Ų | 48.5 | 43% | 0.433 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 88.5 | -4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T83 L84 | T83-G86 PolarHBondContact O-N 2.85Å; L84-G86 PolarHBondContact O-N 3.26Å |
| 87 | K | 94.5 | Very high | 92.6 | Very high | 103 Ų | 103 | 48 Ų | 48 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | trans | -62.7 | 135.6 | 172.2 | -176.9 | 179.8 | 174.8 | -174.9 | 0 | 109.2 | K82 T83 E110 | K82-K87 WeakPolarHBondContact CA-O 3.46Å; T83-K87 HydrophobicContact CG2-CB 4.23Å; T83-K87 PolarHBondContact N-O 2.9Å; T83-K87 WeakPolarHBondContact OG1-CB 3.13Å; T83-K87 PolarHBondContact OG1-N 3.46Å; T83-K87 PolarHBondContact OG1-O 2.79Å; K87-E110 WeakPolarHBondContact CE-OE1 3.46Å; K87-E110 IonicContact NZ-OE1 2.79Å; K87-E110 PolarHBondContact NZ-OE1 2.88Å; K87-E110 IonicContact NZ-OE2 3.32Å; K87-E110 PolarHBondContact NZ-OE2 3.41Å | ||
| 88 | T | 94.9 | Very high | 92.9 | Very high | 75 Ų | 75 | 48.1 Ų | 48.1 | 46% | 0.46 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.6 | 175.9 | -57.4 | 0 | 0 | 0 | 0 | 109.2 | F80 | F80-T88 HydrophobicContact CB-CG2 3.91Å; F80-T88 HydrophobicContact CD1-CG2 4.03Å; F80-T88 HydrophobicContact CG-CG2 4.3Å |
| 89 | I | 94.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.4 | 179.5 | -56 | 151.4 | 0 | 0 | 0 | 107.3 | F80 V81 T83 L91 K109 E110 | F80-I89 CarbonylContact C-O 3.56Å; F80-I89 WeakPolarHBondContact CA-O 3.43Å; V81-I89 HydrophobicContact CB-CB 4.33Å; V81-I89 PolarHBondContact N-O 3.35Å; V81-I89 PolarHBondContact O-N 2.9Å; T83-I89 HydrophobicContact CG2-CD1 3.92Å; I89-L91 HydrophobicContact CG2-CD2 3.98Å; I89-L91 HydrophobicContact CG2-CG 4.46Å; I89-K109 HydrophobicContact CG2-CD 4.25Å; I89-E110 HydrophobicContact CD1-CG 3.62Å; I89-E110 HydrophobicContact CG1-CG 4.09Å; I89-E110 HydrophobicContact CG2-CG 4.48Å |
| 90 | T | 94 | Very high | 93 | Very high | 52 Ų | 52 | 51 Ų | 51 | 32% | 0.319 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128 | 174 | -52.4 | 0 | 0 | 0 | 0 | 109.5 | Q78 F80 K109 | Q78-T90 HydrophobicContact CB-CG2 4.21Å; Q78-T90 HydrophobicContact CG-CG2 4.2Å; F80-T90 HydrophobicContact CD1-CG2 4.35Å; F80-T90 HydrophobicContact CE1-CG2 4.09Å; T90-K109 PolarHBondContact O-NZ 2.82Å |
| 91 | L | 91.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138.6 | 175.6 | -59.8 | 179 | 0 | 0 | 0 | 110.5 | Q78 I79 V81 I89 V93 V102 K105 I106 K109 | Q78-L91 CarbonylContact C-O 3.59Å; Q78-L91 VanDerWaalsContact CA-O 3.26Å; Q78-L91 WeakPolarHBondContact CA-O 3.43Å; I79-L91 HydrophobicContact CG1-CB 4Å; I79-L91 PolarHBondContact N-O 2.74Å; I79-L91 PolarHBondContact O-N 3.21Å; V81-L91 HydrophobicContact CG2-CD1 3.53Å; V81-L91 HydrophobicContact CG2-CG 4.14Å; I89-L91 HydrophobicContact CG2-CD2 3.98Å; I89-L91 HydrophobicContact CG2-CG 4.46Å; L91-V93 HydrophobicContact CB-CG1 3.97Å; L91-V102 HydrophobicContact CD1-CG1 3.93Å; L91-K105 HydrophobicContact CD2-CB 4.3Å; L91-I106 HydrophobicContact CD1-CD1 4.11Å; L91-I106 HydrophobicContact CD1-CG1 3.57Å; L91-I106 HydrophobicContact CD2-CG1 4.33Å; L91-K109 HydrophobicContact CD2-CD 3.88Å |
| 92 | E | 88.9 | Confident | 92.6 | Very high | 29 Ų | 29 | 51.9 Ų | 51.9 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 122.1 | 167.7 | -61.1 | -69.6 | 163.9 | 0 | 0 | 107.9 | Q78 K105 | Q78-E92 WeakPolarHBondContact CG-OE1 3.18Å; Q78-E92 WeakPolarHBondContact CG-OE2 3.08Å; Q78-E92 PolarHBondContact NE2-OE1 3.4Å; E92-K105 PolarHBondContact O-NZ 2.9Å |
| 93 | V | 90.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 162.4 | -171.2 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | M77 I79 L91 D97 V102 K105 L132 | M77-V93 WeakPolarHBondContact CB-O 3.4Å; M77-V93 HydrophobicContact CE-CG2 4.11Å; M77-V93 HydrophobicContact CG-CG2 4.03Å; M77-V93 WeakPolarHBondContact O-CG2 3.38Å; M77-V93 PolarHBondContact O-N 2.84Å; I79-V93 HydrophobicContact CB-CG2 4.3Å; I79-V93 HydrophobicContact CD1-CG1 3.88Å; I79-V93 HydrophobicContact CD1-CG2 4.09Å; I79-V93 HydrophobicContact CG1-CG1 3.92Å; I79-V93 HydrophobicContact CG1-CG2 3.82Å; I79-V93 HydrophobicContact CG2-CG2 3.73Å; L91-V93 HydrophobicContact CB-CG1 3.97Å; V93-D97 VanDerWaalsContact CA-OD2 3.24Å; V93-D97 WeakPolarHBondContact CA-OD2 3.26Å; V93-D97 WeakPolarHBondContact CB-OD2 3.21Å; V93-V102 HydrophobicContact CG1-CG2 4.38Å; V93-K105 HydrophobicContact CG1-CD 4.12Å; V93-L132 HydrophobicContact CB-CD1 3.61Å; V93-L132 HydrophobicContact CG1-CD1 4.13Å; V93-L132 HydrophobicContact CG2-CD1 3.47Å; V93-L132 VanDerWaalsContact CG2-CD1 3.47Å |
| 94 | E | 90.3 | Very high | 92.3 | Very high | 40 Ų | 40 | 48.6 Ų | 48.6 | 19% | 0.187 | 28% | 0.283 | C | S | . | . | trans | -110.4 | 150.9 | 168.7 | -63.7 | -176.3 | 164.2 | 0 | 0 | 110.2 | P38 S96 D97 | P38-E94 WeakPolarHBondContact CD-OE1 3.47Å; E94-S96 WeakPolarHBondContact CB-OG 3.4Å; E94-S96 PolarHBondContact O-N 3.45Å; E94-S96 VanDerWaalsContact O-N 3.08Å; E94-S96 PolarHBondContact OE2-OG 2.8Å; E94-D97 PolarHBondContact N-OD2 2.62Å; E94-D97 WeakPolarHBondContact O-CB 3.15Å; E94-D97 PolarHBondContact O-N 3.04Å | ||
| 95 | P | 91.6 | Very high | 92.4 | Very high | 67 Ų | 67 | 43.8 Ų | 43.8 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.4 | 174.9 | -24.3 | 33 | 0 | 0 | 0 | 113.7 | M77 S133 | M77-P95 HydrophobicContact SD-CG 3.83Å; P95-S133 WeakPolarHBondContact O-CB 3.39Å; P95-S133 PolarHBondContact O-N 3.42Å; P95-S133 PolarHBondContact O-OG 3.19Å |
| 96 | S | 90.6 | Very high | 92.6 | Very high | 72 Ų | 72 | 37.7 Ų | 37.7 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -13.7 | 176.1 | 38.4 | 0 | 0 | 0 | 0 | 114.3 | E94 T98 T131 | E94-S96 WeakPolarHBondContact CB-OG 3.4Å; E94-S96 PolarHBondContact O-N 3.45Å; E94-S96 VanDerWaalsContact O-N 3.08Å; E94-S96 PolarHBondContact OE2-OG 2.8Å; S96-T98 PolarHBondContact O-N 3.39Å; S96-T131 WeakPolarHBondContact O-CG2 3.48Å |
| 97 | D | 92.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | trans | -59.8 | 129.6 | 179.8 | -84.2 | -33.1 | 0 | 0 | 0 | 110 | V93 E94 N101 V102 K105 T131 L132 | V93-D97 VanDerWaalsContact CA-OD2 3.24Å; V93-D97 WeakPolarHBondContact CA-OD2 3.26Å; V93-D97 WeakPolarHBondContact CB-OD2 3.21Å; E94-D97 PolarHBondContact N-OD2 2.62Å; E94-D97 WeakPolarHBondContact O-CB 3.15Å; E94-D97 PolarHBondContact O-N 3.04Å; D97-N101 HydrophobicContact CB-CB 4.36Å; D97-V102 HydrophobicContact CB-CG2 4.22Å; D97-K105 WeakPolarHBondContact OD2-CE 3.34Å; D97-K105 IonicContact OD2-NZ 3.34Å; D97-K105 PolarHBondContact OD2-NZ 3.35Å; D97-T131 CarbonylContact O-C 3.59Å; D97-T131 WeakPolarHBondContact O-CA 3.43Å; D97-L132 HydrophobicContact CB-CD1 4.29Å; D97-L132 HydrophobicContact CB-CG 4.47Å; D97-L132 PolarHBondContact O-N 3.01Å | ||
| 98 | T | 96.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 39.2 Ų | 39.2 | 21% | 0.209 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -69.4 | 158.8 | 170.5 | 63.3 | 0 | 0 | 0 | 0 | 110.4 | S96 E100 N101 V102 R130 | S96-T98 PolarHBondContact O-N 3.39Å; T98-E100 PolarHBondContact O-N 3.2Å; T98-N101 WeakPolarHBondContact O-CB 3.42Å; T98-N101 PolarHBondContact O-N 3.13Å; T98-N101 VanDerWaalsContact O-N 3.11Å; T98-N101 PolarHBondContact OG1-N 2.84Å; T98-N101 PolarHBondContact OG1-OD1 3.44Å; T98-V102 WeakPolarHBondContact O-CG2 3.3Å; T98-V102 PolarHBondContact O-N 2.77Å; T98-R130 CarbonylContact C-O 3.48Å; T98-R130 VanDerWaalsContact CA-O 3.26Å; T98-R130 WeakPolarHBondContact CA-O 3.44Å |
| 99 | I | 97.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -31.8 | 173.7 | -61.3 | -55.5 | 0 | 0 | 0 | 111 | V102 K103 L119 L126 E127 D128 R130 L132 Y135 | I99-V102 PolarHBondContact O-N 3.06Å; I99-K103 WeakPolarHBondContact O-CG 3.45Å; I99-K103 PolarHBondContact O-N 2.91Å; I99-L119 HydrophobicContact CG2-CD1 4.24Å; I99-L126 HydrophobicContact CD1-CB 3.93Å; I99-L126 HydrophobicContact CD1-CD1 3.59Å; I99-L126 HydrophobicContact CD1-CG 4.28Å; I99-L126 HydrophobicContact CG1-CB 3.89Å; I99-L126 HydrophobicContact CG1-CD1 4.48Å; I99-L126 HydrophobicContact CG2-CB 3.84Å; I99-E127 VanDerWaalsContact CB-O 3.3Å; I99-E127 WeakPolarHBondContact CB-O 3.45Å; I99-E127 VanDerWaalsContact CG1-O 3.26Å; I99-E127 WeakPolarHBondContact CG1-O 3.38Å; I99-D128 PolarHBondContact N-O 3.33Å; I99-R130 WeakPolarHBondContact CG1-O 3.45Å; I99-R130 PolarHBondContact N-O 3.1Å; I99-L132 HydrophobicContact CD1-CD2 4Å; I99-Y135 HydrophobicContact CD1-CD2 4.31Å; I99-Y135 HydrophobicContact CD1-CE2 4.41Å; I99-Y135 HydrophobicContact CG1-CD2 4.42Å; I99-Y135 HydrophobicContact CG1-CE2 4.06Å |
| 100 | E | 93.9 | Very high | 91.4 | Very high | 109 Ų | 109 | 44 Ų | 44 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60 | -47.4 | 169.8 | -170.2 | 170.2 | -155.4 | 0 | 0 | 112.3 | T98 V102 K103 A104 D128 | T98-E100 PolarHBondContact O-N 3.2Å; E100-V102 VanDerWaalsContact C-N 3.3Å; E100-V102 PolarHBondContact O-N 3.26Å; E100-K103 WeakPolarHBondContact O-CB 3.29Å; E100-K103 PolarHBondContact O-N 3.18Å; E100-K103 VanDerWaalsContact O-N 3.1Å; E100-A104 PolarHBondContact O-N 3.45Å; E100-D128 HydrophobicContact CB-CB 4.25Å; E100-D128 PolarHBondContact N-O 3.46Å; E100-D128 VanDerWaalsContact N-O 3.17Å |
| 101 | N | 91.3 | Very high | 91 | Very high | 72 Ų | 72 | 44.4 Ų | 44.4 | 39% | 0.385 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 175.4 | -69.8 | -2.3 | 0 | 0 | 0 | 111.8 | D97 T98 K103 A104 K105 | D97-N101 HydrophobicContact CB-CB 4.36Å; T98-N101 WeakPolarHBondContact O-CB 3.42Å; T98-N101 PolarHBondContact O-N 3.13Å; T98-N101 VanDerWaalsContact O-N 3.11Å; T98-N101 PolarHBondContact OG1-N 2.84Å; T98-N101 PolarHBondContact OG1-OD1 3.44Å; N101-K103 VanDerWaalsContact C-N 3.31Å; N101-K103 PolarHBondContact O-N 3.14Å; N101-A104 PolarHBondContact O-N 3.05Å; N101-K105 WeakPolarHBondContact O-CG 3.31Å; N101-K105 PolarHBondContact O-N 3.3Å |
| 102 | V | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -40 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | I79 L91 V93 D97 T98 I99 E100 K105 I106 L119 L132 | I79-V102 HydrophobicContact CD1-CG1 4.25Å; L91-V102 HydrophobicContact CD1-CG1 3.93Å; V93-V102 HydrophobicContact CG1-CG2 4.38Å; D97-V102 HydrophobicContact CB-CG2 4.22Å; T98-V102 WeakPolarHBondContact O-CG2 3.3Å; T98-V102 PolarHBondContact O-N 2.77Å; I99-V102 PolarHBondContact O-N 3.06Å; E100-V102 VanDerWaalsContact C-N 3.3Å; E100-V102 PolarHBondContact O-N 3.26Å; V102-K105 PolarHBondContact O-N 3.1Å; V102-I106 HydrophobicContact CG1-CD1 4.35Å; V102-I106 WeakPolarHBondContact O-CG1 3.42Å; V102-I106 PolarHBondContact O-N 2.68Å; V102-I106 VanDerWaalsContact O-N 3.09Å; V102-L119 HydrophobicContact CB-CD1 4.35Å; V102-L119 HydrophobicContact CG1-CD1 3.74Å; V102-L132 HydrophobicContact CG2-CD1 4.07Å; V102-L132 HydrophobicContact CG2-CD2 3.88Å; V102-L132 HydrophobicContact CG2-CG 4.01Å |
| 103 | K | 94.8 | Very high | 90.7 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 175 | -71.8 | 170.3 | 163.2 | -168.2 | 0 | 112.5 | I99 E100 N101 K105 I106 Q107 P114 Q117 L119 D128 | I99-K103 WeakPolarHBondContact O-CG 3.45Å; I99-K103 PolarHBondContact O-N 2.91Å; E100-K103 WeakPolarHBondContact O-CB 3.29Å; E100-K103 PolarHBondContact O-N 3.18Å; E100-K103 VanDerWaalsContact O-N 3.1Å; N101-K103 VanDerWaalsContact C-N 3.31Å; N101-K103 PolarHBondContact O-N 3.14Å; K103-K105 VanDerWaalsContact C-N 3.33Å; K103-K105 PolarHBondContact O-N 3.39Å; K103-I106 WeakPolarHBondContact O-CB 3.4Å; K103-I106 PolarHBondContact O-N 3.24Å; K103-I106 VanDerWaalsContact O-N 3.11Å; K103-Q107 PolarHBondContact O-N 3.17Å; K103-P114 HydrophobicContact CB-CB 3.79Å; K103-P114 HydrophobicContact CB-CG 4.3Å; K103-P114 HydrophobicContact CD-CB 4.18Å; K103-P114 WeakPolarHBondContact CD-O 3.3Å; K103-P114 WeakPolarHBondContact CE-O 3.32Å; K103-P114 PolarHBondContact NZ-O 3.25Å; K103-Q117 HydrophobicContact CD-CB 4.32Å; K103-Q117 WeakPolarHBondContact CE-O 3.13Å; K103-Q117 HydrophobicContact CG-CB 3.99Å; K103-Q117 PolarHBondContact NZ-O 2.94Å; K103-Q117 PolarHBondContact O-NE2 3.39Å; K103-Q117 PolarHBondContact O-OE1 3.33Å; K103-L119 HydrophobicContact CG-CD1 3.93Å; K103-L119 HydrophobicContact CG-CG 4.42Å; K103-D128 WeakPolarHBondContact CE-OD1 3.18Å; K103-D128 VanDerWaalsContact NZ-CG 3.28Å; K103-D128 IonicContact NZ-OD1 2.83Å; K103-D128 PolarHBondContact NZ-OD1 2.98Å; K103-D128 IonicContact NZ-OD2 2.67Å; K103-D128 PolarHBondContact NZ-OD2 3.24Å |
| 104 | A | 90.1 | Very high | 90.6 | Very high | 34 Ų | 34 | 45.5 Ų | 45.5 | 28% | 0.281 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | E100 N101 I106 Q107 D108 | E100-A104 PolarHBondContact O-N 3.45Å; N101-A104 PolarHBondContact O-N 3.05Å; A104-I106 VanDerWaalsContact C-N 3.25Å; A104-I106 PolarHBondContact O-N 3.1Å; A104-Q107 CarbonylContact O-C 3.44Å; A104-Q107 WeakPolarHBondContact O-CA 3.28Å; A104-Q107 VanDerWaalsContact O-CB 3.26Å; A104-Q107 WeakPolarHBondContact O-CB 3.46Å; A104-Q107 PolarHBondContact O-N 2.95Å; A104-D108 PolarHBondContact O-N 3.47Å |
| 105 | K | 91 | Very high | 90.4 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -31.6 | 174.9 | -67.9 | 166.3 | -171.8 | -96.3 | 0 | 113.4 | L91 E92 V93 D97 N101 V102 K103 K109 | L91-K105 HydrophobicContact CD2-CB 4.3Å; E92-K105 PolarHBondContact O-NZ 2.9Å; V93-K105 HydrophobicContact CG1-CD 4.12Å; D97-K105 WeakPolarHBondContact OD2-CE 3.34Å; D97-K105 IonicContact OD2-NZ 3.34Å; D97-K105 PolarHBondContact OD2-NZ 3.35Å; N101-K105 WeakPolarHBondContact O-CG 3.31Å; N101-K105 PolarHBondContact O-N 3.3Å; V102-K105 PolarHBondContact O-N 3.1Å; K103-K105 VanDerWaalsContact C-N 3.33Å; K103-K105 PolarHBondContact O-N 3.39Å; K105-K109 WeakPolarHBondContact O-CG 3.41Å; K105-K109 PolarHBondContact O-N 3.37Å |
| 106 | I | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.9 | -40.9 | 172.9 | -67 | 164.1 | 0 | 0 | 0 | 110.4 | V81 L91 V102 K103 A104 D108 K109 E110 I112 Q117 L119 L145 | V81-I106 HydrophobicContact CG1-CD1 4.1Å; V81-I106 HydrophobicContact CG2-CD1 4.15Å; L91-I106 HydrophobicContact CD1-CD1 4.11Å; L91-I106 HydrophobicContact CD1-CG1 3.57Å; L91-I106 HydrophobicContact CD2-CG1 4.33Å; V102-I106 HydrophobicContact CG1-CD1 4.35Å; V102-I106 WeakPolarHBondContact O-CG1 3.42Å; V102-I106 PolarHBondContact O-N 2.68Å; V102-I106 VanDerWaalsContact O-N 3.09Å; K103-I106 WeakPolarHBondContact O-CB 3.4Å; K103-I106 PolarHBondContact O-N 3.24Å; K103-I106 VanDerWaalsContact O-N 3.11Å; A104-I106 VanDerWaalsContact C-N 3.25Å; A104-I106 PolarHBondContact O-N 3.1Å; I106-D108 VanDerWaalsContact C-N 3.33Å; I106-K109 PolarHBondContact O-N 2.73Å; I106-E110 HydrophobicContact CG2-CB 4.49Å; I106-E110 WeakPolarHBondContact O-CB 3.23Å; I106-E110 PolarHBondContact O-N 3.32Å; I106-I112 HydrophobicContact CG2-CD1 4.48Å; I106-Q117 VanDerWaalsContact CB-OE1 3.29Å; I106-Q117 VanDerWaalsContact CD1-OE1 3.23Å; I106-L119 HydrophobicContact CD1-CD1 4.03Å; I106-L119 HydrophobicContact CD1-CD2 3.68Å; I106-L119 HydrophobicContact CD1-CG 4.39Å; I106-L145 HydrophobicContact CG2-CD2 4.07Å |
| 107 | Q | 89.6 | Confident | 90.3 | Very high | 44 Ų | 44 | 40.9 Ų | 40.9 | 21% | 0.206 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 174.6 | -177.3 | -174.5 | 8.3 | 0 | 0 | 110.8 | K103 A104 K109 E110 G111 I112 | K103-Q107 PolarHBondContact O-N 3.17Å; A104-Q107 CarbonylContact O-C 3.44Å; A104-Q107 WeakPolarHBondContact O-CA 3.28Å; A104-Q107 VanDerWaalsContact O-CB 3.26Å; A104-Q107 WeakPolarHBondContact O-CB 3.46Å; A104-Q107 PolarHBondContact O-N 2.95Å; Q107-K109 PolarHBondContact O-N 3.46Å; Q107-E110 PolarHBondContact O-N 3.11Å; Q107-G111 WeakPolarHBondContact O-CA 3.45Å; Q107-G111 PolarHBondContact O-N 2.96Å; Q107-I112 VanDerWaalsContact CA-O 3.3Å; Q107-I112 WeakPolarHBondContact CA-O 3.29Å; Q107-I112 VanDerWaalsContact CB-O 3.24Å; Q107-I112 WeakPolarHBondContact CB-O 3.45Å |
| 108 | D | 82.8 | Confident | 90.4 | Very high | 134 Ų | 134 | 45.3 Ų | 45.3 | 72% | 0.717 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.3 | -34.1 | 179 | -64.5 | -24.1 | 0 | 0 | 0 | 112.4 | A104 I106 | A104-D108 PolarHBondContact O-N 3.47Å; I106-D108 VanDerWaalsContact C-N 3.33Å |
| 109 | K | 84.8 | Confident | 90.5 | Very high | 117 Ų | 117 | 43.8 Ų | 43.8 | 51% | 0.509 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -88.9 | -32.7 | -178.3 | -73.3 | -159.6 | -179.2 | -164.1 | 0 | 114.9 | I89 T90 L91 K105 I106 Q107 | I89-K109 HydrophobicContact CG2-CD 4.25Å; T90-K109 PolarHBondContact O-NZ 2.82Å; L91-K109 HydrophobicContact CD2-CD 3.88Å; K105-K109 WeakPolarHBondContact O-CG 3.41Å; K105-K109 PolarHBondContact O-N 3.37Å; I106-K109 PolarHBondContact O-N 2.73Å; Q107-K109 PolarHBondContact O-N 3.46Å |
| 110 | E | 88.9 | Confident | 90.5 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -124.9 | -4.2 | -167.9 | -61.8 | -72.3 | 142.8 | 0 | 0 | 113.2 | K87 I89 I106 Q107 I112 | K87-E110 WeakPolarHBondContact CE-OE1 3.46Å; K87-E110 IonicContact NZ-OE1 2.79Å; K87-E110 PolarHBondContact NZ-OE1 2.88Å; K87-E110 IonicContact NZ-OE2 3.32Å; K87-E110 PolarHBondContact NZ-OE2 3.41Å; I89-E110 HydrophobicContact CD1-CG 3.62Å; I89-E110 HydrophobicContact CG1-CG 4.09Å; I89-E110 HydrophobicContact CG2-CG 4.48Å; I106-E110 HydrophobicContact CG2-CB 4.49Å; I106-E110 WeakPolarHBondContact O-CB 3.23Å; I106-E110 PolarHBondContact O-N 3.32Å; Q107-E110 PolarHBondContact O-N 3.11Å; E110-I112 HydrophobicContact CB-CD1 3.71Å; E110-I112 HydrophobicContact CB-CG1 4.02Å; E110-I112 PolarHBondContact O-N 2.66Å |
| 111 | G | 85.4 | Confident | 90.7 | Very high | 61 Ų | 61 | 42.5 Ų | 42.5 | 63% | 0.629 | 23% | 0.225 | S | C | * | . | trans | 70.7 | 11.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q107 P113 | Q107-G111 WeakPolarHBondContact O-CA 3.45Å; Q107-G111 PolarHBondContact O-N 2.96Å; G111-P113 WeakPolarHBondContact O-CD 3.26Å | ||
| 112 | I | 87.4 | Confident | 90.9 | Very high | 28 Ų | 28 | 43.7 Ų | 43.7 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | trans | -88.1 | 119 | -175.3 | -58.1 | 161.2 | 0 | 0 | 0 | 109.3 | I106 Q107 E110 Q116 Q117 L145 L147 | I106-I112 HydrophobicContact CG2-CD1 4.48Å; Q107-I112 VanDerWaalsContact CA-O 3.3Å; Q107-I112 WeakPolarHBondContact CA-O 3.29Å; Q107-I112 VanDerWaalsContact CB-O 3.24Å; Q107-I112 WeakPolarHBondContact CB-O 3.45Å; E110-I112 HydrophobicContact CB-CD1 3.71Å; E110-I112 HydrophobicContact CB-CG1 4.02Å; E110-I112 PolarHBondContact O-N 2.66Å; I112-Q116 HydrophobicContact CG2-CB 4.31Å; I112-Q117 HydrophobicContact CB-CG 4.38Å; I112-Q117 HydrophobicContact CG2-CG 3.64Å; I112-Q117 PolarHBondContact O-NE2 2.88Å; I112-L145 HydrophobicContact CD1-CD2 4.02Å; I112-L147 HydrophobicContact CD1-CD2 4.04Å; I112-L147 HydrophobicContact CG1-CD2 4.48Å; I112-L147 HydrophobicContact CG2-CD2 3.63Å | ||
| 113 | P | 86.9 | Confident | 90.8 | Very high | 17 Ų | 17 | 47.4 Ų | 47.4 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | trans | -60.4 | 139.2 | 179.3 | -28.4 | 38.6 | 0 | 0 | 0 | 114 | G111 D115 Q116 Q117 | G111-P113 WeakPolarHBondContact O-CD 3.26Å; P113-D115 VanDerWaalsContact C-N 3.28Å; P113-D115 WeakPolarHBondContact CB-OD1 3.24Å; P113-D115 PolarHBondContact O-N 3.47Å; P113-Q116 HydrophobicContact CB-CG 4.22Å; P113-Q116 WeakPolarHBondContact O-CA 2.81Å; P113-Q116 WeakPolarHBondContact O-CB 3.16Å; P113-Q116 PolarHBondContact O-N 3.25Å; P113-Q117 WeakPolarHBondContact O-CG 3.35Å; P113-Q117 PolarHBondContact O-N 2.83Å | ||
| 114 | P | 89 | Confident | 90.9 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 7% | 0.065 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -53.1 | -35.3 | -177.6 | -31.4 | 36.2 | 0 | 0 | 0 | 115.9 | K103 Q116 Q117 E170 | K103-P114 HydrophobicContact CB-CB 3.79Å; K103-P114 HydrophobicContact CB-CG 4.3Å; K103-P114 HydrophobicContact CD-CB 4.18Å; K103-P114 WeakPolarHBondContact CD-O 3.3Å; K103-P114 WeakPolarHBondContact CE-O 3.32Å; K103-P114 PolarHBondContact NZ-O 3.25Å; P114-Q116 VanDerWaalsContact C-N 3.3Å; P114-Q116 PolarHBondContact O-N 3.3Å; P114-Q117 WeakPolarHBondContact O-CB 3.41Å; P114-Q117 PolarHBondContact O-N 2.76Å; P114-Q117 VanDerWaalsContact O-N 3.12Å; P114-E170 WeakPolarHBondContact CB-OE1 3.14Å; P114-E170 VanDerWaalsContact CD-OE1 3.26Å; P114-E170 WeakPolarHBondContact CD-OE1 3.25Å; P114-E170 VanDerWaalsContact CG-OE1 3.3Å; P114-E170 WeakPolarHBondContact CG-OE1 3.48Å |
| 115 | D | 84.9 | Confident | 91.2 | Very high | 37 Ų | 37 | 53.4 Ų | 53.4 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -68.5 | -29.1 | 177.2 | 71.4 | -50.1 | 0 | 0 | 0 | 112.9 | P113 Q117 G152 | P113-D115 VanDerWaalsContact C-N 3.28Å; P113-D115 WeakPolarHBondContact CB-OD1 3.24Å; P113-D115 PolarHBondContact O-N 3.47Å; D115-Q117 VanDerWaalsContact C-N 3.26Å; D115-G152 WeakPolarHBondContact OD2-CA 3.38Å; D115-G152 PolarHBondContact OD2-N 2.97Å |
| 116 | Q | 88.4 | Confident | 91.5 | Very high | 45 Ų | 45 | 51.8 Ų | 51.8 | 21% | 0.21 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -80.3 | -9.2 | 172.9 | -61.4 | -176.2 | 12 | 0 | 0 | 112.5 | I112 P113 P114 L147 R148 | I112-Q116 HydrophobicContact CG2-CB 4.31Å; P113-Q116 HydrophobicContact CB-CG 4.22Å; P113-Q116 WeakPolarHBondContact O-CA 2.81Å; P113-Q116 WeakPolarHBondContact O-CB 3.16Å; P113-Q116 PolarHBondContact O-N 3.25Å; P114-Q116 VanDerWaalsContact C-N 3.3Å; P114-Q116 PolarHBondContact O-N 3.3Å; Q116-L147 CarbonylContact O-C 3.58Å; Q116-L147 WeakPolarHBondContact O-CA 3.3Å; Q116-R148 PolarHBondContact O-N 3.49Å |
| 117 | Q | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.6 | -179.4 | -61 | 177.4 | 39.9 | 0 | 0 | 111.7 | K103 I106 I112 P113 P114 D115 L145 | K103-Q117 HydrophobicContact CD-CB 4.32Å; K103-Q117 WeakPolarHBondContact CE-O 3.13Å; K103-Q117 HydrophobicContact CG-CB 3.99Å; K103-Q117 PolarHBondContact NZ-O 2.94Å; K103-Q117 PolarHBondContact O-NE2 3.39Å; K103-Q117 PolarHBondContact O-OE1 3.33Å; I106-Q117 VanDerWaalsContact CB-OE1 3.29Å; I106-Q117 VanDerWaalsContact CD1-OE1 3.23Å; I112-Q117 HydrophobicContact CB-CG 4.38Å; I112-Q117 HydrophobicContact CG2-CG 3.64Å; I112-Q117 PolarHBondContact O-NE2 2.88Å; P113-Q117 WeakPolarHBondContact O-CG 3.35Å; P113-Q117 PolarHBondContact O-N 2.83Å; P114-Q117 WeakPolarHBondContact O-CB 3.41Å; P114-Q117 PolarHBondContact O-N 2.76Å; P114-Q117 VanDerWaalsContact O-N 3.12Å; D115-Q117 VanDerWaalsContact C-N 3.26Å; Q117-L145 HydrophobicContact CB-CD1 3.76Å; Q117-L145 HydrophobicContact CG-CD1 3.95Å |
| 118 | R | 94.9 | Very high | 91.8 | Very high | 100 Ų | 100 | 57 Ų | 57 | 38% | 0.377 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 109.3 | 165.1 | -173.9 | -176.8 | -144.1 | 171.5 | 5.2 | 109.2 | I120 Q125 V146 R148 | R118-I120 HydrophobicContact CG-CG1 4.4Å; R118-Q125 HydrophobicContact CG-CG 3.98Å; R118-V146 HydrophobicContact CB-CB 4.18Å; R118-V146 VanDerWaalsContact CB-O 3.29Å; R118-V146 WeakPolarHBondContact CB-O 3.26Å; R118-V146 PolarHBondContact N-O 2.9Å; R118-V146 PolarHBondContact O-N 2.73Å; R118-R148 HydrophobicContact CB-CG 4.29Å; R118-R148 VanDerWaalsContact NE-NH2 3.19Å |
| 119 | L | 97.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 135.6 | 175.5 | -61.6 | 179.3 | 0 | 0 | 0 | 110.8 | V81 I99 V102 K103 I106 L126 L143 H144 L145 | V81-L119 HydrophobicContact CG1-CD2 4.16Å; I99-L119 HydrophobicContact CG2-CD1 4.24Å; V102-L119 HydrophobicContact CB-CD1 4.35Å; V102-L119 HydrophobicContact CG1-CD1 3.74Å; K103-L119 HydrophobicContact CG-CD1 3.93Å; K103-L119 HydrophobicContact CG-CG 4.42Å; I106-L119 HydrophobicContact CD1-CD1 4.03Å; I106-L119 HydrophobicContact CD1-CD2 3.68Å; I106-L119 HydrophobicContact CD1-CG 4.39Å; L119-L126 HydrophobicContact CB-CB 4.28Å; L119-L126 HydrophobicContact CB-CD1 3.95Å; L119-L126 HydrophobicContact CB-CG 4.32Å; L119-L126 PolarHBondContact O-N 2.62Å; L119-L143 HydrophobicContact CD1-CD2 4.34Å; L119-H144 WeakPolarHBondContact CA-O 3.42Å; L119-L145 HydrophobicContact CD2-CB 4.16Å; L119-L145 HydrophobicContact CD2-CD1 3.82Å |
| 120 | I | 97.8 | Very high | 92.9 | Very high | 41 Ų | 41 | 53 Ų | 53 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.1 | -178.8 | -56.8 | 172.3 | 0 | 0 | 0 | 108.7 | R118 K124 L143 H144 V146 | R118-I120 HydrophobicContact CG-CG1 4.4Å; I120-K124 CarbonylContact C-O 3.59Å; I120-K124 VanDerWaalsContact CA-O 3.3Å; I120-K124 WeakPolarHBondContact CA-O 3.2Å; I120-L143 CarbonylContact O-C 3.49Å; I120-L143 WeakPolarHBondContact O-CA 3.43Å; I120-H144 HydrophobicContact CB-CB 4.3Å; I120-H144 PolarHBondContact N-O 2.84Å; I120-H144 PolarHBondContact O-N 2.97Å; I120-V146 HydrophobicContact CD1-CG2 3.86Å |
| 121 | F | 98.1 | Very high | 93.3 | Very high | 42 Ų | 42 | 51.2 Ų | 51.2 | 18% | 0.184 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.1 | 173.4 | -177.2 | -114.3 | 0 | 0 | 0 | 109.8 | G123 K124 L126 I137 L143 | F121-G123 PolarHBondContact O-N 3.1Å; F121-G123 VanDerWaalsContact O-N 3.1Å; F121-K124 PolarHBondContact N-O 2.86Å; F121-K124 PolarHBondContact O-N 2.81Å; F121-L126 HydrophobicContact CB-CD1 4.15Å; F121-L126 HydrophobicContact CB-CD2 3.89Å; F121-L126 HydrophobicContact CB-CG 4.3Å; F121-I137 HydrophobicContact CB-CD1 4.26Å; F121-I137 HydrophobicContact CB-CG1 4.49Å; F121-I137 HydrophobicContact CD1-CD1 4.12Å; F121-I137 HydrophobicContact CD1-CG1 3.5Å; F121-I137 HydrophobicContact CD2-CG1 4.26Å; F121-I137 HydrophobicContact CE1-CG1 3.63Å; F121-I137 HydrophobicContact CE2-CG1 4.39Å; F121-I137 HydrophobicContact CG-CD1 4.13Å; F121-I137 HydrophobicContact CG-CG1 3.83Å; F121-I137 HydrophobicContact CZ-CG1 4.08Å; F121-L143 HydrophobicContact CB-CG 4.33Å; F121-L143 HydrophobicContact CD2-CD1 4.1Å; F121-L143 HydrophobicContact CD2-CG 4.41Å |
| 122 | A | 95.8 | Very high | 93.9 | Very high | 96 Ų | 96 | 48.3 Ų | 48.3 | 79% | 0.793 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 39 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | K124 | A122-K124 PolarHBondContact O-N 2.82Š|
| 123 | G | 93.4 | Very high | 94.3 | Very high | 78 Ų | 78 | 49.7 Ų | 49.7 | 80% | 0.804 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | -1.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | F121 | F121-G123 PolarHBondContact O-N 3.1Å; F121-G123 VanDerWaalsContact O-N 3.1Å |
| 124 | K | 95.6 | Very high | 94.8 | Very high | 96 Ų | 96 | 53.4 Ų | 53.4 | 42% | 0.417 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133.7 | 178.5 | -172.6 | 176.9 | 176 | -173.4 | 0 | 111 | I120 F121 A122 Y135 | I120-K124 CarbonylContact C-O 3.59Å; I120-K124 VanDerWaalsContact CA-O 3.3Å; I120-K124 WeakPolarHBondContact CA-O 3.2Å; F121-K124 PolarHBondContact N-O 2.86Å; F121-K124 PolarHBondContact O-N 2.81Å; A122-K124 PolarHBondContact O-N 2.82Å; K124-Y135 HydrophobicContact CD-CD1 4.47Å; K124-Y135 HydrophobicContact CD-CE1 3.97Å |
| 125 | Q | 96.1 | Very high | 95.2 | Very high | 73 Ų | 73 | 54 Ų | 54 | 34% | 0.341 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 132.8 | 168.5 | -177.3 | -169 | -42.8 | 0 | 0 | 109.6 | R118 R148 | R118-Q125 HydrophobicContact CG-CG 3.98Å; Q125-R148 VanDerWaalsContact CD-NH2 3.31Å |
| 126 | L | 97.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 146.7 | 176.8 | -54.7 | -175.1 | 0 | 0 | 0 | 111.2 | I99 L119 F121 Y135 I137 L143 | I99-L126 HydrophobicContact CD1-CB 3.93Å; I99-L126 HydrophobicContact CD1-CD1 3.59Å; I99-L126 HydrophobicContact CD1-CG 4.28Å; I99-L126 HydrophobicContact CG1-CB 3.89Å; I99-L126 HydrophobicContact CG1-CD1 4.48Å; I99-L126 HydrophobicContact CG2-CB 3.84Å; L119-L126 HydrophobicContact CB-CB 4.28Å; L119-L126 HydrophobicContact CB-CD1 3.95Å; L119-L126 HydrophobicContact CB-CG 4.32Å; L119-L126 PolarHBondContact O-N 2.62Å; F121-L126 HydrophobicContact CB-CD1 4.15Å; F121-L126 HydrophobicContact CB-CD2 3.89Å; F121-L126 HydrophobicContact CB-CG 4.3Å; L126-Y135 HydrophobicContact CB-CE2 4.29Å; L126-Y135 HydrophobicContact CD2-CD1 3.58Å; L126-Y135 HydrophobicContact CD2-CD2 3.71Å; L126-Y135 HydrophobicContact CD2-CE1 3.68Å; L126-Y135 HydrophobicContact CD2-CE2 3.8Å; L126-Y135 HydrophobicContact CD2-CG 3.61Å; L126-I137 HydrophobicContact CD1-CD1 3.84Å; L126-I137 HydrophobicContact CD2-CD1 4.42Å; L126-L143 HydrophobicContact CD1-CD2 3.59Å; L126-L143 HydrophobicContact CD1-CG 4.16Å |
| 127 | E | 96.3 | Very high | 96.2 | Very high | 88 Ų | 88 | 56.5 Ų | 56.5 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | trans | -106.9 | 133.3 | -178.3 | -67.1 | 166.5 | -158.7 | 0 | 0 | 109.6 | I99 G129 R130 Y135 | I99-E127 VanDerWaalsContact CB-O 3.3Å; I99-E127 WeakPolarHBondContact CB-O 3.45Å; I99-E127 VanDerWaalsContact CG1-O 3.26Å; I99-E127 WeakPolarHBondContact CG1-O 3.38Å; E127-G129 VanDerWaalsContact C-N 3.31Å; E127-G129 PolarHBondContact O-N 3.23Å; E127-R130 HydrophobicContact CB-CG 4.39Å; E127-R130 PolarHBondContact O-N 2.94Å; E127-R130 VanDerWaalsContact O-N 3.14Å; E127-R130 IonicContact OE1-NH2 2.71Å; E127-R130 PolarHBondContact OE1-NH2 3.31Å; E127-R130 IonicContact OE2-CZ 3.43Å; E127-R130 VanDerWaalsContact OE2-CZ 3.29Å; E127-R130 IonicContact OE2-NE 3.09Å; E127-R130 PolarHBondContact OE2-NE 2.97Å; E127-R130 IonicContact OE2-NH2 2.62Å; E127-R130 PolarHBondContact OE2-NH2 2.8Å; E127-Y135 WeakPolarHBondContact CB-OH 3.16Å; E127-Y135 PolarHBondContact N-OH 3.07Å | ||
| 128 | D | 93.4 | Very high | 96.4 | Very high | 66 Ų | 66 | 63.2 Ų | 63.2 | 35% | 0.353 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -39.2 | -168.7 | -67.7 | -8.9 | 0 | 0 | 0 | 113.5 | I99 E100 K103 R130 | I99-D128 PolarHBondContact N-O 3.33Å; E100-D128 HydrophobicContact CB-CB 4.25Å; E100-D128 PolarHBondContact N-O 3.46Å; E100-D128 VanDerWaalsContact N-O 3.17Å; K103-D128 WeakPolarHBondContact CE-OD1 3.18Å; K103-D128 VanDerWaalsContact NZ-CG 3.28Å; K103-D128 IonicContact NZ-OD1 2.83Å; K103-D128 PolarHBondContact NZ-OD1 2.98Å; K103-D128 IonicContact NZ-OD2 2.67Å; K103-D128 PolarHBondContact NZ-OD2 3.24Å; D128-R130 VanDerWaalsContact C-N 3.34Å; D128-R130 PolarHBondContact O-N 3.16Å |
| 129 | G | 94.2 | Very high | 96.4 | Very high | 73 Ų | 73 | 64.3 Ų | 64.3 | 75% | 0.753 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 2.2 | -178 | 0 | 0 | 0 | 0 | 0 | 116.4 | E127 | E127-G129 VanDerWaalsContact C-N 3.31Å; E127-G129 PolarHBondContact O-N 3.23Å |
| 130 | R | 97.1 | Very high | 96.3 | Very high | 94 Ų | 94 | 69.9 Ų | 69.9 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -100.9 | 159 | 175.9 | -67.6 | -161.9 | -153.9 | -153.4 | -3.9 | 111.1 | T98 I99 E127 D128 D134 Y135 | T98-R130 CarbonylContact C-O 3.48Å; T98-R130 VanDerWaalsContact CA-O 3.26Å; T98-R130 WeakPolarHBondContact CA-O 3.44Å; I99-R130 WeakPolarHBondContact CG1-O 3.45Å; I99-R130 PolarHBondContact N-O 3.1Å; E127-R130 HydrophobicContact CB-CG 4.39Å; E127-R130 PolarHBondContact O-N 2.94Å; E127-R130 VanDerWaalsContact O-N 3.14Å; E127-R130 IonicContact OE1-NH2 2.71Å; E127-R130 PolarHBondContact OE1-NH2 3.31Å; E127-R130 IonicContact OE2-CZ 3.43Å; E127-R130 VanDerWaalsContact OE2-CZ 3.29Å; E127-R130 IonicContact OE2-NE 3.09Å; E127-R130 PolarHBondContact OE2-NE 2.97Å; E127-R130 IonicContact OE2-NH2 2.62Å; E127-R130 PolarHBondContact OE2-NH2 2.8Å; D128-R130 VanDerWaalsContact C-N 3.34Å; D128-R130 PolarHBondContact O-N 3.16Å; R130-D134 WeakPolarHBondContact CA-OD2 3.38Å; R130-D134 HydrophobicContact CB-CB 4.16Å; R130-D134 WeakPolarHBondContact CB-OD2 3.41Å; R130-Y135 HydrophobicContact CB-CD2 4.32Å; R130-Y135 HydrophobicContact CB-CE2 3.56Å; R130-Y135 WeakPolarHBondContact CD-OH 3.28Å; R130-Y135 HydrophobicContact CG-CE2 4.3Å |
| 131 | T | 97.7 | Very high | 96.2 | Very high | 27 Ų | 27 | 68.9 Ų | 68.9 | 17% | 0.166 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -90 | 168.8 | 178.1 | 68.7 | 0 | 0 | 0 | 0 | 112.7 | S96 D97 S133 D134 Y135 | S96-T131 WeakPolarHBondContact O-CG2 3.48Å; D97-T131 CarbonylContact O-C 3.59Å; D97-T131 WeakPolarHBondContact O-CA 3.43Å; T131-S133 VanDerWaalsContact C-N 3.29Å; T131-S133 PolarHBondContact O-N 2.91Å; T131-S133 PolarHBondContact OG1-N 2.73Å; T131-S133 PolarHBondContact OG1-OG 2.87Å; T131-D134 PolarHBondContact N-OD2 2.79Å; T131-D134 PolarHBondContact O-N 3.34Å; T131-D134 PolarHBondContact OG1-N 3.37Å; T131-D134 PolarHBondContact OG1-OD2 3.37Å; T131-Y135 WeakPolarHBondContact O-CD2 3.41Å |
| 132 | L | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -40.3 | 167.8 | -69.7 | -176.6 | 0 | 0 | 0 | 112 | M77 I79 V93 D97 I99 V102 D134 Y135 N136 I137 | M77-L132 HydrophobicContact CE-CD1 4.25Å; I79-L132 HydrophobicContact CD1-CD1 4.17Å; I79-L132 HydrophobicContact CD1-CD2 4.26Å; V93-L132 HydrophobicContact CB-CD1 3.61Å; V93-L132 HydrophobicContact CG1-CD1 4.13Å; V93-L132 HydrophobicContact CG2-CD1 3.47Å; V93-L132 VanDerWaalsContact CG2-CD1 3.47Å; D97-L132 HydrophobicContact CB-CD1 4.29Å; D97-L132 HydrophobicContact CB-CG 4.47Å; D97-L132 PolarHBondContact O-N 3.01Å; I99-L132 HydrophobicContact CD1-CD2 4Å; V102-L132 HydrophobicContact CG2-CD1 4.07Å; V102-L132 HydrophobicContact CG2-CD2 3.88Å; V102-L132 HydrophobicContact CG2-CG 4.01Å; L132-D134 PolarHBondContact O-N 2.91Å; L132-Y135 PolarHBondContact O-N 3.05Å; L132-N136 PolarHBondContact O-N 3.19Å; L132-I137 HydrophobicContact CB-CB 4.21Å; L132-I137 HydrophobicContact CD2-CB 4.13Å; L132-I137 HydrophobicContact CD2-CD1 3.59Å; L132-I137 HydrophobicContact CD2-CG1 4.45Å; L132-I137 HydrophobicContact CD2-CG2 4.03Å; L132-I137 WeakPolarHBondContact O-CB 3.49Å; L132-I137 PolarHBondContact O-N 2.73Å |
| 133 | S | 96.4 | Very high | 96.4 | Very high | 57 Ų | 57 | 65.1 Ų | 65.1 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -64.9 | -35.7 | 178.1 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | P95 T131 Y135 N136 | P95-S133 WeakPolarHBondContact O-CB 3.39Å; P95-S133 PolarHBondContact O-N 3.42Å; P95-S133 PolarHBondContact O-OG 3.19Å; T131-S133 VanDerWaalsContact C-N 3.29Å; T131-S133 PolarHBondContact O-N 2.91Å; T131-S133 PolarHBondContact OG1-N 2.73Å; T131-S133 PolarHBondContact OG1-OG 2.87Å; S133-Y135 PolarHBondContact O-N 2.89Å; S133-Y135 VanDerWaalsContact O-N 3.17Å; S133-N136 PolarHBondContact O-N 2.95Å |
| 134 | D | 97.6 | Very high | 96.6 | Very high | 94 Ų | 94 | 65.8 Ų | 65.8 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -59 | -28.8 | 175.8 | -70 | -27 | 0 | 0 | 0 | 112.8 | R130 T131 L132 | R130-D134 WeakPolarHBondContact CA-OD2 3.38Å; R130-D134 HydrophobicContact CB-CB 4.16Å; R130-D134 WeakPolarHBondContact CB-OD2 3.41Å; T131-D134 PolarHBondContact N-OD2 2.79Å; T131-D134 PolarHBondContact O-N 3.34Å; T131-D134 PolarHBondContact OG1-N 3.37Å; T131-D134 PolarHBondContact OG1-OD2 3.37Å; L132-D134 PolarHBondContact O-N 2.91Å |
| 135 | Y | 97.8 | Very high | 96.6 | Very high | 23 Ų | 23 | 61.3 Ų | 61.3 | 9% | 0.09 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -96.3 | 4.1 | 176.6 | -71 | -74.9 | 0 | 0 | 0 | 113.6 | I99 K124 L126 E127 R130 T131 L132 S133 I137 | I99-Y135 HydrophobicContact CD1-CD2 4.31Å; I99-Y135 HydrophobicContact CD1-CE2 4.41Å; I99-Y135 HydrophobicContact CG1-CD2 4.42Å; I99-Y135 HydrophobicContact CG1-CE2 4.06Å; K124-Y135 HydrophobicContact CD-CD1 4.47Å; K124-Y135 HydrophobicContact CD-CE1 3.97Å; L126-Y135 HydrophobicContact CB-CE2 4.29Å; L126-Y135 HydrophobicContact CD2-CD1 3.58Å; L126-Y135 HydrophobicContact CD2-CD2 3.71Å; L126-Y135 HydrophobicContact CD2-CE1 3.68Å; L126-Y135 HydrophobicContact CD2-CE2 3.8Å; L126-Y135 HydrophobicContact CD2-CG 3.61Å; E127-Y135 WeakPolarHBondContact CB-OH 3.16Å; E127-Y135 PolarHBondContact N-OH 3.07Å; R130-Y135 HydrophobicContact CB-CD2 4.32Å; R130-Y135 HydrophobicContact CB-CE2 3.56Å; R130-Y135 WeakPolarHBondContact CD-OH 3.28Å; R130-Y135 HydrophobicContact CG-CE2 4.3Å; T131-Y135 WeakPolarHBondContact O-CD2 3.41Å; L132-Y135 PolarHBondContact O-N 3.05Å; S133-Y135 PolarHBondContact O-N 2.89Å; S133-Y135 VanDerWaalsContact O-N 3.17Å; Y135-I137 PolarHBondContact O-N 3.27Å |
| 136 | N | 97 | Very high | 96.5 | Very high | 129 Ų | 129 | 59.6 Ų | 59.6 | 69% | 0.69 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 36.3 | -170.9 | -63.4 | -56.8 | 0 | 0 | 0 | 112.6 | L132 S133 Q138 | L132-N136 PolarHBondContact O-N 3.19Å; S133-N136 PolarHBondContact O-N 2.95Å; N136-Q138 PolarHBondContact O-N 3.29Å |
| 137 | I | 97.5 | Very high | 96.2 | Very high | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | trans | -74.3 | 115.7 | 173.1 | -65.8 | 166.3 | 0 | 0 | 0 | 106.9 | M77 I79 F121 L126 L132 Y135 L143 | M77-I137 HydrophobicContact CE-CG2 4.49Å; M77-I137 WeakPolarHBondContact CE-O 3.45Å; I79-I137 HydrophobicContact CG2-CG2 3.91Å; F121-I137 HydrophobicContact CB-CD1 4.26Å; F121-I137 HydrophobicContact CB-CG1 4.49Å; F121-I137 HydrophobicContact CD1-CD1 4.12Å; F121-I137 HydrophobicContact CD1-CG1 3.5Å; F121-I137 HydrophobicContact CD2-CG1 4.26Å; F121-I137 HydrophobicContact CE1-CG1 3.63Å; F121-I137 HydrophobicContact CE2-CG1 4.39Å; F121-I137 HydrophobicContact CG-CD1 4.13Å; F121-I137 HydrophobicContact CG-CG1 3.83Å; F121-I137 HydrophobicContact CZ-CG1 4.08Å; L126-I137 HydrophobicContact CD1-CD1 3.84Å; L126-I137 HydrophobicContact CD2-CD1 4.42Å; L132-I137 HydrophobicContact CB-CB 4.21Å; L132-I137 HydrophobicContact CD2-CB 4.13Å; L132-I137 HydrophobicContact CD2-CD1 3.59Å; L132-I137 HydrophobicContact CD2-CG1 4.45Å; L132-I137 HydrophobicContact CD2-CG2 4.03Å; L132-I137 WeakPolarHBondContact O-CB 3.49Å; L132-I137 PolarHBondContact O-N 2.73Å; Y135-I137 PolarHBondContact O-N 3.27Å; I137-L143 HydrophobicContact CD1-CD1 4.21Å; I137-L143 HydrophobicContact CD1-CD2 4.33Å; I137-L143 HydrophobicContact CD1-CG 4.44Å; I137-L143 HydrophobicContact CG2-CD1 3.91Å | ||
| 138 | Q | 95.4 | Very high | 95.6 | Very high | 140 Ų | 140 | 63.9 Ų | 63.9 | 65% | 0.654 | 34% | 0.337 | S | S | * | . | trans | -99.9 | 170 | -178.6 | -63.2 | -169.8 | -15.4 | 0 | 0 | 111.3 | N136 E140 S141 | N136-Q138 PolarHBondContact O-N 3.29Å; Q138-E140 PolarHBondContact O-N 3.43Å; Q138-S141 PolarHBondContact N-OG 3.11Å; Q138-S141 WeakPolarHBondContact O-CB 3.3Å; Q138-S141 PolarHBondContact O-N 3.48Å; Q138-S141 PolarHBondContact O-OG 3.24Å | ||
| 139 | K | 94.4 | Very high | 94.4 | Very high | 123 Ų | 123 | 68 Ų | 68 | 54% | 0.535 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 138.3 | 168.7 | -178.8 | 174.7 | 175 | 179.1 | 0 | 110.4 | M77 Q78 S141 | M77-K139 HydrophobicContact CG-CB 3.99Å; Q78-K139 CarbonylContact O-C 3.45Å; K139-S141 PolarHBondContact O-N 3.29Å |
| 140 | E | 95.3 | Very high | 92.9 | Very high | 118 Ų | 118 | 75 Ų | 75 | 55% | 0.551 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 10.4 | -178.5 | -67.4 | 160.5 | -155.1 | 0 | 0 | 115 | Q78 F80 Q138 | Q78-E140 PolarHBondContact O-N 2.89Å; F80-E140 WeakPolarHBondContact CD2-O 3.2Å; F80-E140 HydrophobicContact CE2-CB 3.85Å; F80-E140 HydrophobicContact CE2-CG 3.94Å; F80-E140 HydrophobicContact CZ-CG 4.38Å; Q138-E140 PolarHBondContact O-N 3.43Å |
| 141 | S | 97.6 | Very high | 91.3 | Very high | 21 Ų | 21 | 73.7 Ų | 73.7 | 15% | 0.147 | 38% | 0.377 | C | S | . | . | trans | -63.6 | 146.5 | 170.5 | -66.9 | 0 | 0 | 0 | 0 | 111.7 | F80 Q138 K139 | F80-S141 PolarHBondContact N-O 3.17Å; Q138-S141 PolarHBondContact N-OG 3.11Å; Q138-S141 WeakPolarHBondContact O-CB 3.3Å; Q138-S141 PolarHBondContact O-N 3.48Å; Q138-S141 PolarHBondContact O-OG 3.24Å; K139-S141 PolarHBondContact O-N 3.29Å | ||
| 142 | T | 97.9 | Very high | 90.2 | Very high | 59 Ų | 59 | 72.8 Ų | 72.8 | 36% | 0.362 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 117.9 | 177.3 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | F80 K82 | F80-T142 HydrophobicContact CB-CG2 4.35Å; F80-T142 CarbonylContact O-C 3.59Å; F80-T142 WeakPolarHBondContact O-CA 3.37Å; K82-T142 HydrophobicContact CB-CG2 4.08Å |
| 143 | L | 98.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 155 | 169 | -73.5 | 63.2 | 0 | 0 | 0 | 109.4 | I79 F80 V81 K82 L119 I120 F121 L126 I137 | I79-L143 HydrophobicContact CD1-CD1 4.13Å; I79-L143 HydrophobicContact CD1-CD2 4.23Å; F80-L143 PolarHBondContact O-N 3.49Å; V81-L143 WeakPolarHBondContact CA-O 3.4Å; V81-L143 HydrophobicContact CG2-CB 4.36Å; K82-L143 PolarHBondContact N-O 3.39Å; L119-L143 HydrophobicContact CD1-CD2 4.34Å; I120-L143 CarbonylContact O-C 3.49Å; I120-L143 WeakPolarHBondContact O-CA 3.43Å; F121-L143 HydrophobicContact CB-CG 4.33Å; F121-L143 HydrophobicContact CD2-CD1 4.1Å; F121-L143 HydrophobicContact CD2-CG 4.41Å; L126-L143 HydrophobicContact CD1-CD2 3.59Å; L126-L143 HydrophobicContact CD1-CG 4.16Å; I137-L143 HydrophobicContact CD1-CD1 4.21Å; I137-L143 HydrophobicContact CD1-CD2 4.33Å; I137-L143 HydrophobicContact CD1-CG 4.44Å; I137-L143 HydrophobicContact CG2-CD1 3.91Å |
| 144 | H | 98.1 | Very high | 89.5 | Confident | 91 Ų | 91 | 73.8 Ų | 73.8 | 42% | 0.421 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.8 | 172.4 | -66.9 | 72.7 | 0 | 0 | 0 | 109.8 | K82 L119 I120 | K82-H144 WeakPolarHBondContact O-CA 3.02Å; L119-H144 WeakPolarHBondContact CA-O 3.42Å; I120-H144 HydrophobicContact CB-CB 4.3Å; I120-H144 PolarHBondContact N-O 2.84Å; I120-H144 PolarHBondContact O-N 2.97Å |
| 145 | L | 96.4 | Very high | 89.4 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.016 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 120.7 | 174.9 | 175.3 | 62.9 | 0 | 0 | 0 | 110.4 | V81 K82 T83 I106 I112 Q117 L119 L147 | V81-L145 HydrophobicContact CG1-CB 3.55Å; V81-L145 HydrophobicContact CG1-CD2 4.39Å; K82-L145 PolarHBondContact O-N 3.35Å; T83-L145 HydrophobicContact CG2-CD2 4.47Å; I106-L145 HydrophobicContact CG2-CD2 4.07Å; I112-L145 HydrophobicContact CD1-CD2 4.02Å; Q117-L145 HydrophobicContact CB-CD1 3.76Å; Q117-L145 HydrophobicContact CG-CD1 3.95Å; L119-L145 HydrophobicContact CD2-CB 4.16Å; L119-L145 HydrophobicContact CD2-CD1 3.82Å; L145-L147 HydrophobicContact CD1-CD2 4.45Å; L145-L147 HydrophobicContact CD2-CD2 4.3Å; L145-L147 HydrophobicContact CG-CD2 4.27Å |
| 146 | V | 94.1 | Very high | 89.4 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.3 | 170.7 | 177.7 | 0 | 0 | 0 | 0 | 108.5 | L84 R118 I120 | L84-V146 HydrophobicContact CD1-CG1 4.26Å; L84-V146 HydrophobicContact CD1-CG2 4.39Å; L84-V146 HydrophobicContact CD2-CG2 4.22Å; L84-V146 HydrophobicContact CG-CG2 4.38Å; R118-V146 HydrophobicContact CB-CB 4.18Å; R118-V146 VanDerWaalsContact CB-O 3.29Å; R118-V146 WeakPolarHBondContact CB-O 3.26Å; R118-V146 PolarHBondContact N-O 2.9Å; R118-V146 PolarHBondContact O-N 2.73Å; I120-V146 HydrophobicContact CD1-CG2 3.86Å |
| 147 | L | 90.2 | Very high | 89.5 | Confident | 96 Ų | 96 | 64.6 Ų | 64.6 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 133.4 | 177.6 | -57.8 | -179.4 | 0 | 0 | 0 | 110.7 | I112 Q116 L145 | I112-L147 HydrophobicContact CD1-CD2 4.04Å; I112-L147 HydrophobicContact CG1-CD2 4.48Å; I112-L147 HydrophobicContact CG2-CD2 3.63Å; Q116-L147 CarbonylContact O-C 3.58Å; Q116-L147 WeakPolarHBondContact O-CA 3.3Å; L145-L147 HydrophobicContact CD1-CD2 4.45Å; L145-L147 HydrophobicContact CD2-CD2 4.3Å; L145-L147 HydrophobicContact CG-CD2 4.27Å |
| 148 | R | 84.7 | Confident | 89.4 | Confident | 85 Ų | 85 | 68.5 Ų | 68.5 | 32% | 0.321 | 34% | 0.338 | S | S | . | . | trans | -99.4 | 132.9 | 169.7 | -65.4 | 177.4 | 173.5 | 158.4 | 0.9 | 108.4 | Q116 R118 Q125 | Q116-R148 PolarHBondContact O-N 3.49Å; R118-R148 HydrophobicContact CB-CG 4.29Å; R118-R148 VanDerWaalsContact NE-NH2 3.19Å; Q125-R148 VanDerWaalsContact CD-NH2 3.31Å | ||
| 149 | L | 68.3 | Low | 89.3 | Confident | 151 Ų | 151 | 62.9 Ų | 62.9 | 79% | 0.791 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -84.7 | -22.1 | -174.4 | -70.8 | 172.1 | 0 | 0 | 0 | 114 | ||
| 150 | R | 61 | Low | 89 | Confident | 222 Ų | 222 | 63.6 Ų | 63.6 | 84% | 0.838 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -156.1 | 108.6 | -171.1 | -59.5 | -175.7 | -171.9 | 167.2 | 2.9 | 110.3 | ||
| 151 | G | 64.8 | Low | 88.6 | Confident | 65 Ų | 65 | 64.1 Ų | 64.1 | 67% | 0.67 | 33% | 0.334 | S | S | * | . | trans | -164.5 | -23.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 152 | G | 74.7 | Confident | 88.1 | Confident | 8 Ų | 8 | 65 Ų | 65 | 8% | 0.082 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -77.2 | 175.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | D115 Q154 | D115-G152 WeakPolarHBondContact OD2-CA 3.38Å; D115-G152 PolarHBondContact OD2-N 2.97Å; G152-Q154 PolarHBondContact O-N 3.09Å |
| 153 | M | 88.4 | Confident | 87.9 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 116 | 163.5 | 171 | 175.8 | 162.4 | 0 | 0 | 108.1 | I155 V169 P171 L208 I213 K215 | M153-I155 HydrophobicContact CE-CG2 3.98Å; M153-V169 WeakPolarHBondContact CB-O 3.49Å; M153-V169 HydrophobicContact CE-CG2 4.15Å; M153-V169 HydrophobicContact CG-CG2 4.02Å; M153-V169 WeakPolarHBondContact O-CG2 3.35Å; M153-V169 PolarHBondContact O-N 2.96Å; M153-P171 HydrophobicContact SD-CG 3.81Å; M153-L208 HydrophobicContact CE-CD1 4.2Å; M153-I213 HydrophobicContact CE-CG2 4.39Å; M153-I213 WeakPolarHBondContact CE-O 3.43Å; M153-K215 HydrophobicContact CG-CB 4.08Å |
| 154 | Q | 90.7 | Very high | 87.7 | Confident | 52 Ų | 52 | 70.7 Ų | 70.7 | 24% | 0.243 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 144.1 | 172.7 | -71.3 | 176.9 | 6.5 | 0 | 0 | 109.8 | G152 T166 L167 E168 E216 | G152-Q154 PolarHBondContact O-N 3.09Å; Q154-T166 HydrophobicContact CB-CG2 4.26Å; Q154-T166 HydrophobicContact CG-CG2 4.25Å; Q154-L167 CarbonylContact C-O 3.59Å; Q154-L167 VanDerWaalsContact CA-O 3.26Å; Q154-L167 WeakPolarHBondContact CA-O 3.38Å; Q154-E168 VanDerWaalsContact CG-CD 3.42Å; Q154-E168 WeakPolarHBondContact CG-OE1 3.21Å; Q154-E168 WeakPolarHBondContact CG-OE2 3.41Å; Q154-E168 PolarHBondContact NE2-OE1 3.31Å; Q154-E216 PolarHBondContact O-N 3.02Å |
| 155 | I | 95.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 159.7 | 165.3 | 64.2 | 171.9 | 0 | 0 | 0 | 109.7 | M153 L167 V169 V178 L208 I213 L219 | M153-I155 HydrophobicContact CE-CG2 3.98Å; I155-L167 HydrophobicContact CG1-CB 3.99Å; I155-L167 PolarHBondContact N-O 3.36Å; I155-L167 PolarHBondContact O-N 2.97Å; I155-V169 HydrophobicContact CB-CG2 4.31Å; I155-V169 HydrophobicContact CD1-CG1 3.89Å; I155-V169 HydrophobicContact CD1-CG2 4.08Å; I155-V169 HydrophobicContact CG1-CG1 3.92Å; I155-V169 HydrophobicContact CG1-CG2 3.83Å; I155-V169 HydrophobicContact CG2-CG2 3.73Å; I155-V178 HydrophobicContact CD1-CG1 4.3Å; I155-L208 HydrophobicContact CD1-CD1 4.16Å; I155-L208 HydrophobicContact CD1-CD2 4.24Å; I155-I213 HydrophobicContact CG2-CG2 3.9Å; I155-L219 HydrophobicContact CD1-CD1 4.19Å; I155-L219 HydrophobicContact CD1-CD2 4.25Å |
| 156 | F | 97.4 | Very high | 87.4 | Confident | 53 Ų | 53 | 69.1 Ų | 69.1 | 23% | 0.232 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 138.6 | 177.3 | -55.9 | -69.6 | 0 | 0 | 0 | 110.4 | T164 I165 T166 E216 S217 T218 L219 | F156-T164 HydrophobicContact CB-CG2 3.87Å; F156-T164 HydrophobicContact CD1-CG2 4.14Å; F156-T164 HydrophobicContact CG-CG2 4.32Å; F156-I165 CarbonylContact C-O 3.52Å; F156-I165 WeakPolarHBondContact CA-O 3.26Å; F156-T166 HydrophobicContact CD1-CG2 4.31Å; F156-T166 HydrophobicContact CE1-CG2 4.01Å; F156-E216 WeakPolarHBondContact CD2-O 3.2Å; F156-E216 HydrophobicContact CE2-CB 3.87Å; F156-E216 HydrophobicContact CE2-CG 4Å; F156-E216 HydrophobicContact CZ-CG 4.43Å; F156-S217 PolarHBondContact N-O 2.82Å; F156-T218 HydrophobicContact CB-CG2 4.36Å; F156-T218 CarbonylContact O-C 3.56Å; F156-T218 WeakPolarHBondContact O-CA 3.45Å; F156-L219 PolarHBondContact O-N 2.83Å |
| 157 | V | 97.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 113.2 | 173.6 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | T164 I165 L167 I182 L195 L219 L221 | V157-T164 WeakPolarHBondContact O-CA 3.47Å; V157-I165 HydrophobicContact CB-CB 4.35Å; V157-I165 HydrophobicContact CB-CD1 4.5Å; V157-I165 HydrophobicContact CG1-CD1 4.47Å; V157-I165 PolarHBondContact N-O 3.33Å; V157-I165 PolarHBondContact O-N 3.23Å; V157-L167 HydrophobicContact CG2-CD1 3.55Å; V157-L167 HydrophobicContact CG2-CG 4.14Å; V157-I182 HydrophobicContact CG1-CD1 4.05Å; V157-I182 HydrophobicContact CG2-CD1 4.13Å; V157-I182 HydrophobicContact CG2-CG1 4.47Å; V157-L195 HydrophobicContact CG1-CD2 4.1Å; V157-L219 WeakPolarHBondContact CA-O 3.37Å; V157-L219 HydrophobicContact CG2-CB 4.37Å; V157-L221 HydrophobicContact CG1-CB 3.56Å; V157-L221 HydrophobicContact CG1-CD2 4.34Å |
| 158 | K | 97.3 | Very high | 87.1 | Confident | 88 Ų | 88 | 64.4 Ų | 64.4 | 38% | 0.383 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 123.8 | 179.6 | -165.5 | 172.8 | -176.9 | 177.7 | 0 | 110.2 | K163 T218 L219 H220 L221 | K158-K163 CarbonylContact C-O 3.56Å; K158-K163 WeakPolarHBondContact CA-O 3.35Å; K158-T218 HydrophobicContact CB-CG2 4.11Å; K158-L219 PolarHBondContact N-O 2.61Å; K158-H220 WeakPolarHBondContact O-CA 3.28Å; K158-L221 PolarHBondContact O-N 3.31Å |
| 159 | T | 92.8 | Very high | 87.4 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 14% | 0.141 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 164.5 | 176 | 71.4 | 0 | 0 | 0 | 0 | 111.1 | T161 G162 K163 I165 L221 | T159-T161 PolarHBondContact O-N 2.99Å; T159-T161 PolarHBondContact OG1-N 2.86Å; T159-T161 PolarHBondContact OG1-OG1 3.01Å; T159-G162 PolarHBondContact O-N 2.94Å; T159-K163 HydrophobicContact CG2-CB 4.32Å; T159-K163 PolarHBondContact N-O 2.7Å; T159-K163 WeakPolarHBondContact OG1-CB 3.47Å; T159-K163 PolarHBondContact OG1-N 2.83Å; T159-K163 PolarHBondContact OG1-O 3.28Å; T159-I165 HydrophobicContact CG2-CD1 3.84Å; T159-L221 HydrophobicContact CG2-CD2 4.43Å |
| 160 | L | 86.6 | Confident | 88.4 | Confident | 138 Ų | 138 | 55.3 Ų | 55.3 | 72% | 0.723 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24 | 171.6 | -71.5 | 175.9 | 0 | 0 | 0 | 113.9 | G162 V222 | L160-G162 PolarHBondContact O-N 2.88Å; L160-V222 HydrophobicContact CD1-CB 4.5Å; L160-V222 HydrophobicContact CD1-CG1 4.14Å; L160-V222 HydrophobicContact CD1-CG2 4.4Å; L160-V222 HydrophobicContact CD2-CG2 4.18Å; L160-V222 HydrophobicContact CG-CG2 4.31Å |
| 161 | T | 87.8 | Confident | 89.8 | Confident | 129 Ų | 129 | 48 Ų | 48 | 79% | 0.791 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -3.1 | 175.7 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | T159 K163 | T159-T161 PolarHBondContact O-N 2.99Å; T159-T161 PolarHBondContact OG1-N 2.86Å; T159-T161 PolarHBondContact OG1-OG1 3.01Å; T161-K163 VanDerWaalsContact C-N 3.34Å |
| 162 | G | 87.4 | Confident | 91 | Very high | 40 Ų | 40 | 48.3 Ų | 48.3 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 87.3 | -4.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T159 L160 | T159-G162 PolarHBondContact O-N 2.94Å; L160-G162 PolarHBondContact O-N 2.88Å |
| 163 | K | 93.6 | Very high | 91.8 | Very high | 102 Ų | 102 | 48.2 Ų | 48.2 | 44% | 0.443 | 27% | 0.271 | S | S | . | . | trans | -63.8 | 136 | 173.5 | -177 | 180 | 174.4 | -173.9 | 0 | 109.5 | K158 T159 T161 E186 | K158-K163 CarbonylContact C-O 3.56Å; K158-K163 WeakPolarHBondContact CA-O 3.35Å; T159-K163 HydrophobicContact CG2-CB 4.32Å; T159-K163 PolarHBondContact N-O 2.7Å; T159-K163 WeakPolarHBondContact OG1-CB 3.47Å; T159-K163 PolarHBondContact OG1-N 2.83Å; T159-K163 PolarHBondContact OG1-O 3.28Å; T161-K163 VanDerWaalsContact C-N 3.34Å; K163-E186 WeakPolarHBondContact CE-OE1 3.42Å; K163-E186 IonicContact NZ-OE1 3.01Å; K163-E186 PolarHBondContact NZ-OE1 2.91Å; K163-E186 IonicContact NZ-OE2 2.73Å; K163-E186 PolarHBondContact NZ-OE2 3.2Å | ||
| 164 | T | 94.9 | Very high | 92.1 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 46% | 0.46 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.2 | 175.7 | -56.5 | 0 | 0 | 0 | 0 | 109.4 | F156 V157 | F156-T164 HydrophobicContact CB-CG2 3.87Å; F156-T164 HydrophobicContact CD1-CG2 4.14Å; F156-T164 HydrophobicContact CG-CG2 4.32Å; V157-T164 WeakPolarHBondContact O-CA 3.47Å |
| 165 | I | 93.4 | Very high | 92.4 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 133.8 | 179.7 | -54.7 | 147.5 | 0 | 0 | 0 | 107.3 | F156 V157 T159 L167 K185 E186 | F156-I165 CarbonylContact C-O 3.52Å; F156-I165 WeakPolarHBondContact CA-O 3.26Å; V157-I165 HydrophobicContact CB-CB 4.35Å; V157-I165 HydrophobicContact CB-CD1 4.5Å; V157-I165 HydrophobicContact CG1-CD1 4.47Å; V157-I165 PolarHBondContact N-O 3.33Å; V157-I165 PolarHBondContact O-N 3.23Å; T159-I165 HydrophobicContact CG2-CD1 3.84Å; I165-L167 HydrophobicContact CG2-CD2 4.05Å; I165-K185 HydrophobicContact CG2-CD 4.14Å; I165-E186 HydrophobicContact CD1-CG 3.54Å; I165-E186 HydrophobicContact CG1-CG 3.96Å; I165-E186 HydrophobicContact CG2-CG 4.47Å |
| 166 | T | 93.3 | Very high | 92.3 | Very high | 54 Ų | 54 | 51.7 Ų | 51.7 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 126.6 | 173.4 | -51.7 | 0 | 0 | 0 | 0 | 109.5 | Q154 F156 K185 | Q154-T166 HydrophobicContact CB-CG2 4.26Å; Q154-T166 HydrophobicContact CG-CG2 4.25Å; F156-T166 HydrophobicContact CD1-CG2 4.31Å; F156-T166 HydrophobicContact CE1-CG2 4.01Å; T166-K185 PolarHBondContact O-NZ 3.17Å |
| 167 | L | 90.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 138.5 | 175.9 | -60.3 | -179.3 | 0 | 0 | 0 | 110.2 | Q154 I155 V157 I165 V169 V178 K181 I182 K185 | Q154-L167 CarbonylContact C-O 3.59Å; Q154-L167 VanDerWaalsContact CA-O 3.26Å; Q154-L167 WeakPolarHBondContact CA-O 3.38Å; I155-L167 HydrophobicContact CG1-CB 3.99Å; I155-L167 PolarHBondContact N-O 3.36Å; I155-L167 PolarHBondContact O-N 2.97Å; V157-L167 HydrophobicContact CG2-CD1 3.55Å; V157-L167 HydrophobicContact CG2-CG 4.14Å; I165-L167 HydrophobicContact CG2-CD2 4.05Å; L167-V169 HydrophobicContact CB-CG1 3.98Å; L167-V178 HydrophobicContact CD1-CG1 3.92Å; L167-K181 HydrophobicContact CD2-CB 4.23Å; L167-I182 HydrophobicContact CD1-CD1 4.2Å; L167-I182 HydrophobicContact CD1-CG1 3.61Å; L167-I182 HydrophobicContact CD2-CG1 4.43Å; L167-K185 HydrophobicContact CD2-CD 3.87Å |
| 168 | E | 88.3 | Confident | 91.8 | Very high | 31 Ų | 31 | 52.8 Ų | 52.8 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123.1 | 168.5 | -62.4 | -75.8 | -179.1 | 0 | 0 | 107.4 | Q154 K181 | Q154-E168 VanDerWaalsContact CG-CD 3.42Å; Q154-E168 WeakPolarHBondContact CG-OE1 3.21Å; Q154-E168 WeakPolarHBondContact CG-OE2 3.41Å; Q154-E168 PolarHBondContact NE2-OE1 3.31Å; E168-K181 PolarHBondContact O-NZ 3.1Å |
| 169 | V | 89.6 | Confident | 91.7 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 163.5 | -170 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | M153 I155 L167 D173 V178 K181 L208 | M153-V169 WeakPolarHBondContact CB-O 3.49Å; M153-V169 HydrophobicContact CE-CG2 4.15Å; M153-V169 HydrophobicContact CG-CG2 4.02Å; M153-V169 WeakPolarHBondContact O-CG2 3.35Å; M153-V169 PolarHBondContact O-N 2.96Å; I155-V169 HydrophobicContact CB-CG2 4.31Å; I155-V169 HydrophobicContact CD1-CG1 3.89Å; I155-V169 HydrophobicContact CD1-CG2 4.08Å; I155-V169 HydrophobicContact CG1-CG1 3.92Å; I155-V169 HydrophobicContact CG1-CG2 3.83Å; I155-V169 HydrophobicContact CG2-CG2 3.73Å; L167-V169 HydrophobicContact CB-CG1 3.98Å; V169-D173 VanDerWaalsContact CA-OD2 3.26Å; V169-D173 WeakPolarHBondContact CA-OD2 3.36Å; V169-D173 WeakPolarHBondContact CB-OD2 3.37Å; V169-V178 HydrophobicContact CG1-CG2 4.42Å; V169-K181 HydrophobicContact CG1-CD 4.12Å; V169-L208 HydrophobicContact CB-CD1 3.59Å; V169-L208 HydrophobicContact CG1-CD1 4.11Å; V169-L208 HydrophobicContact CG2-CD1 3.44Å; V169-L208 VanDerWaalsContact CG2-CD1 3.44Å |
| 170 | E | 89.6 | Confident | 91.4 | Very high | 42 Ų | 42 | 49.5 Ų | 49.5 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | trans | -111.4 | 151.3 | 169.2 | -63.5 | -175.4 | 175.4 | 0 | 0 | 110.4 | P114 S172 D173 | P114-E170 WeakPolarHBondContact CB-OE1 3.14Å; P114-E170 VanDerWaalsContact CD-OE1 3.26Å; P114-E170 WeakPolarHBondContact CD-OE1 3.25Å; P114-E170 VanDerWaalsContact CG-OE1 3.3Å; P114-E170 WeakPolarHBondContact CG-OE1 3.48Å; E170-S172 PolarHBondContact O-N 3.06Å; E170-S172 VanDerWaalsContact O-N 3.11Å; E170-D173 PolarHBondContact N-OD2 2.77Å; E170-D173 VanDerWaalsContact O-CB 3.31Å; E170-D173 WeakPolarHBondContact O-CB 3.49Å; E170-D173 PolarHBondContact O-N 2.78Å | ||
| 171 | P | 91.4 | Very high | 91.6 | Very high | 69 Ų | 69 | 44.5 Ų | 44.5 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -29 | 176.1 | -24.3 | 32.9 | 0 | 0 | 0 | 113.8 | M153 L208 S209 | M153-P171 HydrophobicContact SD-CG 3.81Å; P171-L208 PolarHBondContact O-N 2.9Å; P171-S209 VanDerWaalsContact O-CB 3.32Å; P171-S209 WeakPolarHBondContact O-CB 3.28Å; P171-S209 PolarHBondContact O-N 3.14Å; P171-S209 PolarHBondContact O-OG 2.67Å |
| 172 | S | 89.7 | Confident | 91.9 | Very high | 71 Ų | 71 | 38.4 Ų | 38.4 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -13.9 | 176.5 | 44.5 | 0 | 0 | 0 | 0 | 114 | E170 T174 T207 | E170-S172 PolarHBondContact O-N 3.06Å; E170-S172 VanDerWaalsContact O-N 3.11Å; S172-T174 PolarHBondContact O-N 2.81Å; S172-T207 WeakPolarHBondContact O-CG2 3.21Å |
| 173 | D | 91.7 | Very high | 91.8 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | trans | -58.7 | 128.3 | 179.4 | -86.5 | -32.1 | 0 | 0 | 0 | 109.8 | V169 E170 N177 V178 K181 T207 L208 | V169-D173 VanDerWaalsContact CA-OD2 3.26Å; V169-D173 WeakPolarHBondContact CA-OD2 3.36Å; V169-D173 WeakPolarHBondContact CB-OD2 3.37Å; E170-D173 PolarHBondContact N-OD2 2.77Å; E170-D173 VanDerWaalsContact O-CB 3.31Å; E170-D173 WeakPolarHBondContact O-CB 3.49Å; E170-D173 PolarHBondContact O-N 2.78Å; D173-N177 HydrophobicContact CB-CB 4.49Å; D173-V178 HydrophobicContact CB-CG2 4.24Å; D173-K181 WeakPolarHBondContact OD2-CE 3.4Å; D173-K181 IonicContact OD2-NZ 3.44Å; D173-K181 PolarHBondContact OD2-NZ 3.07Å; D173-K181 VanDerWaalsContact OD2-NZ 3.12Å; D173-T207 CarbonylContact O-C 3.6Å; D173-T207 VanDerWaalsContact O-CA 3.24Å; D173-T207 WeakPolarHBondContact O-CA 3.21Å; D173-L208 HydrophobicContact CB-CD1 4.3Å; D173-L208 HydrophobicContact CB-CG 4.48Å; D173-L208 PolarHBondContact O-N 3.16Å | ||
| 174 | T | 95.2 | Very high | 91.3 | Very high | 35 Ų | 35 | 39.5 Ų | 39.5 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -70.2 | 157.7 | 171.7 | 64.2 | 0 | 0 | 0 | 0 | 110.7 | S172 E176 N177 V178 R206 | S172-T174 PolarHBondContact O-N 2.81Å; T174-E176 PolarHBondContact O-N 2.8Å; T174-N177 WeakPolarHBondContact O-CB 3.25Å; T174-N177 PolarHBondContact O-N 2.82Å; T174-N177 VanDerWaalsContact O-N 3.09Å; T174-N177 PolarHBondContact OG1-N 3.42Å; T174-N177 VanDerWaalsContact OG1-N 3.1Å; T174-N177 PolarHBondContact OG1-OD1 3.16Å; T174-V178 WeakPolarHBondContact O-CG2 3.44Å; T174-V178 PolarHBondContact O-N 2.73Å; T174-R206 CarbonylContact C-O 3.58Å; T174-R206 VanDerWaalsContact CA-O 3.23Å; T174-R206 WeakPolarHBondContact CA-O 3.26Å |
| 175 | I | 96.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.2 | -32.1 | 174.2 | -61.2 | -55.8 | 0 | 0 | 0 | 111.1 | V178 K179 L195 L202 E203 D204 R206 L208 Y211 | I175-V178 PolarHBondContact O-N 2.95Å; I175-K179 VanDerWaalsContact O-CG 3.32Å; I175-K179 WeakPolarHBondContact O-CG 3.44Å; I175-K179 PolarHBondContact O-N 3.42Å; I175-L195 HydrophobicContact CG2-CD1 4.21Å; I175-L202 HydrophobicContact CB-CB 4.48Å; I175-L202 HydrophobicContact CD1-CB 3.9Å; I175-L202 HydrophobicContact CD1-CD1 3.58Å; I175-L202 HydrophobicContact CD1-CG 4.27Å; I175-L202 HydrophobicContact CG1-CB 3.87Å; I175-L202 HydrophobicContact CG1-CD1 4.49Å; I175-L202 HydrophobicContact CG2-CB 3.8Å; I175-E203 VanDerWaalsContact CB-O 3.28Å; I175-E203 WeakPolarHBondContact CB-O 3.5Å; I175-E203 VanDerWaalsContact CG1-O 3.28Å; I175-E203 WeakPolarHBondContact CG1-O 3.48Å; I175-D204 PolarHBondContact N-O 2.91Å; I175-R206 WeakPolarHBondContact CG1-O 3.5Å; I175-R206 PolarHBondContact N-O 3.41Å; I175-L208 HydrophobicContact CD1-CD2 4.05Å; I175-Y211 HydrophobicContact CD1-CD2 4.23Å; I175-Y211 HydrophobicContact CD1-CE2 4.33Å; I175-Y211 HydrophobicContact CG1-CD2 4.35Å; I175-Y211 HydrophobicContact CG1-CE2 3.99Å |
| 176 | E | 92.8 | Very high | 90.5 | Very high | 116 Ų | 116 | 44.2 Ų | 44.2 | 54% | 0.542 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.1 | -48.3 | 169.8 | -169.6 | 170.8 | -163.7 | 0 | 0 | 112.1 | T174 V178 K179 A180 D204 | T174-E176 PolarHBondContact O-N 2.8Å; E176-V178 VanDerWaalsContact C-N 3.32Å; E176-V178 PolarHBondContact O-N 3.32Å; E176-K179 WeakPolarHBondContact O-CB 3.32Å; E176-K179 PolarHBondContact O-N 2.74Å; E176-K179 VanDerWaalsContact O-N 3.11Å; E176-A180 PolarHBondContact O-N 3.14Å; E176-D204 HydrophobicContact CB-CB 4.19Å; E176-D204 PolarHBondContact N-O 2.97Å; E176-D204 VanDerWaalsContact N-O 3.13Å |
| 177 | N | 90.1 | Very high | 90 | Very high | 76 Ų | 76 | 44.3 Ų | 44.3 | 41% | 0.406 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 176.3 | -69 | -2.8 | 0 | 0 | 0 | 111.8 | D173 T174 K179 A180 K181 | D173-N177 HydrophobicContact CB-CB 4.49Å; T174-N177 WeakPolarHBondContact O-CB 3.25Å; T174-N177 PolarHBondContact O-N 2.82Å; T174-N177 VanDerWaalsContact O-N 3.09Å; T174-N177 PolarHBondContact OG1-N 3.42Å; T174-N177 VanDerWaalsContact OG1-N 3.1Å; T174-N177 PolarHBondContact OG1-OD1 3.16Å; N177-K179 VanDerWaalsContact C-N 3.29Å; N177-K179 PolarHBondContact O-N 3.36Å; N177-A180 WeakPolarHBondContact O-CB 3.4Å; N177-A180 PolarHBondContact O-N 2.81Å; N177-K181 WeakPolarHBondContact O-CG 3.39Å; N177-K181 PolarHBondContact O-N 3.48Å |
| 178 | V | 95.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62 | -40 | 175.5 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | I155 L167 V169 D173 T174 I175 E176 K181 I182 L195 L208 | I155-V178 HydrophobicContact CD1-CG1 4.3Å; L167-V178 HydrophobicContact CD1-CG1 3.92Å; V169-V178 HydrophobicContact CG1-CG2 4.42Å; D173-V178 HydrophobicContact CB-CG2 4.24Å; T174-V178 WeakPolarHBondContact O-CG2 3.44Å; T174-V178 PolarHBondContact O-N 2.73Å; I175-V178 PolarHBondContact O-N 2.95Å; E176-V178 VanDerWaalsContact C-N 3.32Å; E176-V178 PolarHBondContact O-N 3.32Å; V178-K181 PolarHBondContact O-N 2.86Å; V178-I182 HydrophobicContact CG1-CD1 4.35Å; V178-I182 WeakPolarHBondContact O-CG1 3.42Å; V178-I182 PolarHBondContact O-N 2.8Å; V178-I182 VanDerWaalsContact O-N 3.08Å; V178-L195 HydrophobicContact CB-CD1 4.33Å; V178-L195 HydrophobicContact CG1-CD1 3.75Å; V178-L208 HydrophobicContact CG2-CD1 4.12Å; V178-L208 HydrophobicContact CG2-CD2 3.9Å; V178-L208 HydrophobicContact CG2-CG 4.05Å |
| 179 | K | 93.9 | Very high | 89.4 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.022 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 174.9 | -71.7 | 169.8 | 164.8 | -168.7 | 0 | 112.4 | I175 E176 N177 K181 I182 Q183 P190 Q193 L195 D204 | I175-K179 VanDerWaalsContact O-CG 3.32Å; I175-K179 WeakPolarHBondContact O-CG 3.44Å; I175-K179 PolarHBondContact O-N 3.42Å; E176-K179 WeakPolarHBondContact O-CB 3.32Å; E176-K179 PolarHBondContact O-N 2.74Å; E176-K179 VanDerWaalsContact O-N 3.11Å; N177-K179 VanDerWaalsContact C-N 3.29Å; N177-K179 PolarHBondContact O-N 3.36Å; K179-K181 VanDerWaalsContact C-N 3.32Å; K179-K181 PolarHBondContact O-N 3.34Å; K179-I182 WeakPolarHBondContact O-CB 3.41Å; K179-I182 PolarHBondContact O-N 3.12Å; K179-I182 VanDerWaalsContact O-N 3.13Å; K179-Q183 PolarHBondContact O-N 3.2Å; K179-P190 HydrophobicContact CB-CB 3.85Å; K179-P190 HydrophobicContact CB-CG 4.34Å; K179-P190 HydrophobicContact CD-CB 4.21Å; K179-P190 WeakPolarHBondContact CD-O 3.35Å; K179-P190 WeakPolarHBondContact CE-O 3.45Å; K179-P190 PolarHBondContact NZ-O 3.41Å; K179-Q193 HydrophobicContact CD-CB 4.32Å; K179-Q193 VanDerWaalsContact CE-O 3.25Å; K179-Q193 WeakPolarHBondContact CE-O 3.04Å; K179-Q193 HydrophobicContact CG-CB 3.99Å; K179-Q193 PolarHBondContact NZ-O 2.96Å; K179-Q193 PolarHBondContact O-NE2 3Å; K179-Q193 PolarHBondContact O-OE1 3.44Å; K179-L195 HydrophobicContact CG-CD1 3.94Å; K179-L195 HydrophobicContact CG-CG 4.48Å; K179-D204 WeakPolarHBondContact CE-OD1 3.33Å; K179-D204 IonicContact NZ-OD1 2.61Å; K179-D204 PolarHBondContact NZ-OD1 2.72Å; K179-D204 IonicContact NZ-OD2 3.96Å; K179-D204 PolarHBondContact NZ-OD2 2.91Å |
| 180 | A | 88.5 | Confident | 89.3 | Confident | 36 Ų | 36 | 45 Ų | 45 | 30% | 0.298 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E176 N177 I182 Q183 D184 | E176-A180 PolarHBondContact O-N 3.14Å; N177-A180 WeakPolarHBondContact O-CB 3.4Å; N177-A180 PolarHBondContact O-N 2.81Å; A180-I182 VanDerWaalsContact C-N 3.26Å; A180-I182 PolarHBondContact O-N 3.12Å; A180-Q183 CarbonylContact O-C 3.47Å; A180-Q183 WeakPolarHBondContact O-CA 3.38Å; A180-Q183 VanDerWaalsContact O-CB 3.26Å; A180-Q183 WeakPolarHBondContact O-CB 3.5Å; A180-Q183 PolarHBondContact O-N 3.21Å; A180-D184 PolarHBondContact O-N 3.08Å |
| 181 | K | 90.5 | Very high | 88.9 | Confident | 34 Ų | 34 | 45.6 Ų | 45.6 | 15% | 0.148 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -32.6 | 175.2 | -67.1 | 172.1 | -168.3 | -115.8 | 0 | 113.3 | L167 E168 V169 D173 N177 V178 K179 K185 | L167-K181 HydrophobicContact CD2-CB 4.23Å; E168-K181 PolarHBondContact O-NZ 3.1Å; V169-K181 HydrophobicContact CG1-CD 4.12Å; D173-K181 WeakPolarHBondContact OD2-CE 3.4Å; D173-K181 IonicContact OD2-NZ 3.44Å; D173-K181 PolarHBondContact OD2-NZ 3.07Å; D173-K181 VanDerWaalsContact OD2-NZ 3.12Å; N177-K181 WeakPolarHBondContact O-CG 3.39Å; N177-K181 PolarHBondContact O-N 3.48Å; V178-K181 PolarHBondContact O-N 2.86Å; K179-K181 VanDerWaalsContact C-N 3.32Å; K179-K181 PolarHBondContact O-N 3.34Å; K181-K185 PolarHBondContact O-N 2.87Å |
| 182 | I | 92.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.2 | -41.1 | 172.9 | -66.4 | 164.2 | 0 | 0 | 0 | 110.5 | V157 L167 V178 K179 A180 D184 K185 E186 I188 Q193 L195 L221 | V157-I182 HydrophobicContact CG1-CD1 4.05Å; V157-I182 HydrophobicContact CG2-CD1 4.13Å; V157-I182 HydrophobicContact CG2-CG1 4.47Å; L167-I182 HydrophobicContact CD1-CD1 4.2Å; L167-I182 HydrophobicContact CD1-CG1 3.61Å; L167-I182 HydrophobicContact CD2-CG1 4.43Å; V178-I182 HydrophobicContact CG1-CD1 4.35Å; V178-I182 WeakPolarHBondContact O-CG1 3.42Å; V178-I182 PolarHBondContact O-N 2.8Å; V178-I182 VanDerWaalsContact O-N 3.08Å; K179-I182 WeakPolarHBondContact O-CB 3.41Å; K179-I182 PolarHBondContact O-N 3.12Å; K179-I182 VanDerWaalsContact O-N 3.13Å; A180-I182 VanDerWaalsContact C-N 3.26Å; A180-I182 PolarHBondContact O-N 3.12Å; I182-D184 VanDerWaalsContact C-N 3.32Å; I182-D184 PolarHBondContact O-N 3.29Å; I182-K185 PolarHBondContact O-N 2.76Å; I182-E186 HydrophobicContact CG2-CB 4.48Å; I182-E186 WeakPolarHBondContact O-CB 3.46Å; I182-E186 PolarHBondContact O-N 3.26Å; I182-I188 HydrophobicContact CG2-CD1 4.37Å; I182-Q193 VanDerWaalsContact CB-OE1 3.3Å; I182-Q193 VanDerWaalsContact CD1-OE1 3.29Å; I182-L195 HydrophobicContact CD1-CD1 4.02Å; I182-L195 HydrophobicContact CD1-CD2 3.68Å; I182-L195 HydrophobicContact CD1-CG 4.32Å; I182-L221 HydrophobicContact CG2-CD2 3.95Å |
| 183 | Q | 87.3 | Confident | 88.7 | Confident | 34 Ų | 34 | 40.7 Ų | 40.7 | 16% | 0.159 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.8 | -46.1 | 175.2 | -177.9 | -175 | 4.3 | 0 | 0 | 110.7 | K179 A180 K185 E186 G187 I188 P190 | K179-Q183 PolarHBondContact O-N 3.2Å; A180-Q183 CarbonylContact O-C 3.47Å; A180-Q183 WeakPolarHBondContact O-CA 3.38Å; A180-Q183 VanDerWaalsContact O-CB 3.26Å; A180-Q183 WeakPolarHBondContact O-CB 3.5Å; A180-Q183 PolarHBondContact O-N 3.21Å; Q183-K185 VanDerWaalsContact C-N 3.26Å; Q183-K185 PolarHBondContact O-N 3.47Å; Q183-E186 PolarHBondContact O-N 2.91Å; Q183-G187 WeakPolarHBondContact O-CA 3.19Å; Q183-G187 PolarHBondContact O-N 3.46Å; Q183-I188 VanDerWaalsContact CA-O 3.31Å; Q183-I188 WeakPolarHBondContact CA-O 3.45Å; Q183-I188 WeakPolarHBondContact CB-O 3.44Å; Q183-P190 HydrophobicContact CB-CG 4.5Å |
| 184 | D | 81 | Confident | 88.8 | Confident | 131 Ų | 131 | 45.1 Ų | 45.1 | 70% | 0.701 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62 | -34.8 | 179.7 | -65.1 | -25 | 0 | 0 | 0 | 112.4 | A180 I182 | A180-D184 PolarHBondContact O-N 3.08Å; I182-D184 VanDerWaalsContact C-N 3.32Å; I182-D184 PolarHBondContact O-N 3.29Å |
| 185 | K | 84.8 | Confident | 88.9 | Confident | 119 Ų | 119 | 43.5 Ų | 43.5 | 52% | 0.517 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -87 | -32.9 | -178.7 | -73.7 | -159 | 179.3 | -157 | 0 | 114.8 | I165 T166 L167 K181 I182 Q183 | I165-K185 HydrophobicContact CG2-CD 4.14Å; T166-K185 PolarHBondContact O-NZ 3.17Å; L167-K185 HydrophobicContact CD2-CD 3.87Å; K181-K185 PolarHBondContact O-N 2.87Å; I182-K185 PolarHBondContact O-N 2.76Å; Q183-K185 VanDerWaalsContact C-N 3.26Å; Q183-K185 PolarHBondContact O-N 3.47Å |
| 186 | E | 87.9 | Confident | 88.9 | Confident | 64 Ų | 64 | 45.5 Ų | 45.5 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -124.4 | -5.4 | -168.4 | -62.3 | -70.3 | 139.8 | 0 | 0 | 113.6 | K163 I165 I182 Q183 I188 | K163-E186 WeakPolarHBondContact CE-OE1 3.42Å; K163-E186 IonicContact NZ-OE1 3.01Å; K163-E186 PolarHBondContact NZ-OE1 2.91Å; K163-E186 IonicContact NZ-OE2 2.73Å; K163-E186 PolarHBondContact NZ-OE2 3.2Å; I165-E186 HydrophobicContact CD1-CG 3.54Å; I165-E186 HydrophobicContact CG1-CG 3.96Å; I165-E186 HydrophobicContact CG2-CG 4.47Å; I182-E186 HydrophobicContact CG2-CB 4.48Å; I182-E186 WeakPolarHBondContact O-CB 3.46Å; I182-E186 PolarHBondContact O-N 3.26Å; Q183-E186 PolarHBondContact O-N 2.91Å; E186-I188 HydrophobicContact CB-CD1 3.72Å; E186-I188 HydrophobicContact CB-CG1 3.96Å; E186-I188 PolarHBondContact O-N 2.9Å |
| 187 | G | 82.1 | Confident | 89.2 | Confident | 56 Ų | 56 | 41.9 Ų | 41.9 | 58% | 0.577 | 22% | 0.222 | S | C | * | . | trans | 72 | 12.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q183 P189 | Q183-G187 WeakPolarHBondContact O-CA 3.19Å; Q183-G187 PolarHBondContact O-N 3.46Å; G187-P189 WeakPolarHBondContact O-CD 3.34Å | ||
| 188 | I | 84.6 | Confident | 89.4 | Confident | 26 Ų | 26 | 42.3 Ų | 42.3 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | trans | -88.1 | 120 | -174.9 | -56.2 | 164.3 | 0 | 0 | 0 | 109.3 | I182 Q183 E186 Q192 Q193 L221 L223 | I182-I188 HydrophobicContact CG2-CD1 4.37Å; Q183-I188 VanDerWaalsContact CA-O 3.31Å; Q183-I188 WeakPolarHBondContact CA-O 3.45Å; Q183-I188 WeakPolarHBondContact CB-O 3.44Å; E186-I188 HydrophobicContact CB-CD1 3.72Å; E186-I188 HydrophobicContact CB-CG1 3.96Å; E186-I188 PolarHBondContact O-N 2.9Å; I188-Q192 HydrophobicContact CG2-CB 4.41Å; I188-Q193 HydrophobicContact CB-CG 4.29Å; I188-Q193 HydrophobicContact CG2-CG 3.61Å; I188-Q193 PolarHBondContact O-NE2 3.37Å; I188-L221 HydrophobicContact CD1-CD2 3.92Å; I188-L223 HydrophobicContact CD1-CD2 4.16Å; I188-L223 HydrophobicContact CG2-CD2 3.56Å | ||
| 189 | P | 83.1 | Confident | 89.3 | Confident | 12 Ų | 12 | 46.1 Ų | 46.1 | 8% | 0.078 | 28% | 0.275 | C | S | . | . | trans | -61.2 | 137.5 | 179 | -27.6 | 37.7 | 0 | 0 | 0 | 114.1 | G187 D191 Q192 Q193 E244 | G187-P189 WeakPolarHBondContact O-CD 3.34Å; P189-D191 VanDerWaalsContact C-N 3.28Å; P189-D191 WeakPolarHBondContact CB-OD1 3.32Å; P189-D191 PolarHBondContact O-N 2.87Å; P189-Q192 HydrophobicContact CB-CG 4.22Å; P189-Q192 WeakPolarHBondContact O-CA 3.32Å; P189-Q192 WeakPolarHBondContact O-CB 3.18Å; P189-Q192 PolarHBondContact O-N 3.43Å; P189-Q193 WeakPolarHBondContact O-CG 3.1Å; P189-Q193 PolarHBondContact O-N 2.96Å; P189-E244 HydrophobicContact CG-CB 3.94Å | ||
| 190 | P | 86.4 | Confident | 89.3 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -35.4 | -177.3 | -32.1 | 35.8 | 0 | 0 | 0 | 116.1 | K179 Q183 Q192 Q193 E246 | K179-P190 HydrophobicContact CB-CB 3.85Å; K179-P190 HydrophobicContact CB-CG 4.34Å; K179-P190 HydrophobicContact CD-CB 4.21Å; K179-P190 WeakPolarHBondContact CD-O 3.35Å; K179-P190 WeakPolarHBondContact CE-O 3.45Å; K179-P190 PolarHBondContact NZ-O 3.41Å; Q183-P190 HydrophobicContact CB-CG 4.5Å; P190-Q192 VanDerWaalsContact C-N 3.35Å; P190-Q193 WeakPolarHBondContact O-CB 3.34Å; P190-Q193 PolarHBondContact O-N 3.27Å; P190-Q193 VanDerWaalsContact O-N 3.15Å; P190-E246 VanDerWaalsContact CD-OE1 3.29Å; P190-E246 WeakPolarHBondContact CD-OE1 3.24Å; P190-E246 WeakPolarHBondContact CG-OE1 3.45Å |
| 191 | D | 81.8 | Confident | 89.6 | Confident | 53 Ų | 53 | 54.9 Ų | 54.9 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -31.7 | 177.2 | 62 | -12.9 | 0 | 0 | 0 | 113.2 | P189 Q193 R224 G228 | P189-D191 VanDerWaalsContact C-N 3.28Å; P189-D191 WeakPolarHBondContact CB-OD1 3.32Å; P189-D191 PolarHBondContact O-N 2.87Å; D191-Q193 VanDerWaalsContact C-N 3.27Å; D191-R224 PolarHBondContact O-NH1 3.14Å; D191-R224 VanDerWaalsContact O-NH1 3.14Å; D191-G228 WeakPolarHBondContact OD2-CA 3.25Å |
| 192 | Q | 86.4 | Confident | 90 | Very high | 37 Ų | 37 | 53.4 Ų | 53.4 | 17% | 0.173 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -18.2 | 171.9 | -61.1 | -177.4 | 12.3 | 0 | 0 | 112.1 | I188 P189 P190 L223 R224 E244 | I188-Q192 HydrophobicContact CG2-CB 4.41Å; P189-Q192 HydrophobicContact CB-CG 4.22Å; P189-Q192 WeakPolarHBondContact O-CA 3.32Å; P189-Q192 WeakPolarHBondContact O-CB 3.18Å; P189-Q192 PolarHBondContact O-N 3.43Å; P190-Q192 VanDerWaalsContact C-N 3.35Å; Q192-L223 CarbonylContact O-C 3.58Å; Q192-L223 WeakPolarHBondContact O-CA 3.45Å; Q192-R224 PolarHBondContact O-N 2.71Å; Q192-E244 VanDerWaalsContact NE2-CD 3.32Å |
| 193 | Q | 90.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 128.2 | -179.9 | -61.1 | 176.5 | 41.8 | 0 | 0 | 111.9 | K179 I182 I188 P189 P190 D191 L221 R224 | K179-Q193 HydrophobicContact CD-CB 4.32Å; K179-Q193 VanDerWaalsContact CE-O 3.25Å; K179-Q193 WeakPolarHBondContact CE-O 3.04Å; K179-Q193 HydrophobicContact CG-CB 3.99Å; K179-Q193 PolarHBondContact NZ-O 2.96Å; K179-Q193 PolarHBondContact O-NE2 3Å; K179-Q193 PolarHBondContact O-OE1 3.44Å; I182-Q193 VanDerWaalsContact CB-OE1 3.3Å; I182-Q193 VanDerWaalsContact CD1-OE1 3.29Å; I188-Q193 HydrophobicContact CB-CG 4.29Å; I188-Q193 HydrophobicContact CG2-CG 3.61Å; I188-Q193 PolarHBondContact O-NE2 3.37Å; P189-Q193 WeakPolarHBondContact O-CG 3.1Å; P189-Q193 PolarHBondContact O-N 2.96Å; P190-Q193 WeakPolarHBondContact O-CB 3.34Å; P190-Q193 PolarHBondContact O-N 3.27Å; P190-Q193 VanDerWaalsContact O-N 3.15Å; D191-Q193 VanDerWaalsContact C-N 3.27Å; Q193-L221 HydrophobicContact CB-CD1 3.74Å; Q193-L221 HydrophobicContact CG-CD1 3.97Å; Q193-R224 PolarHBondContact O-NH1 3.11Å |
| 194 | R | 94 | Very high | 90.2 | Very high | 100 Ų | 100 | 59.8 Ų | 59.8 | 38% | 0.377 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 108.7 | 165.8 | -173.3 | 179.4 | -169.3 | -176 | 2.4 | 108.9 | I196 Q201 V222 R224 | R194-I196 HydrophobicContact CG-CG1 4.48Å; R194-Q201 HydrophobicContact CG-CG 4.09Å; R194-Q201 VanDerWaalsContact NE-CD 3.35Å; R194-V222 HydrophobicContact CB-CB 4.29Å; R194-V222 WeakPolarHBondContact CB-O 3.29Å; R194-V222 PolarHBondContact N-O 3.18Å; R194-V222 PolarHBondContact O-N 2.99Å; R194-R224 HydrophobicContact CB-CG 4.49Å |
| 195 | L | 96.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 137 | 175.5 | -66.1 | 175.3 | 0 | 0 | 0 | 110.8 | V157 I175 V178 K179 I182 L202 L219 H220 L221 | V157-L195 HydrophobicContact CG1-CD2 4.1Å; I175-L195 HydrophobicContact CG2-CD1 4.21Å; V178-L195 HydrophobicContact CB-CD1 4.33Å; V178-L195 HydrophobicContact CG1-CD1 3.75Å; K179-L195 HydrophobicContact CG-CD1 3.94Å; K179-L195 HydrophobicContact CG-CG 4.48Å; I182-L195 HydrophobicContact CD1-CD1 4.02Å; I182-L195 HydrophobicContact CD1-CD2 3.68Å; I182-L195 HydrophobicContact CD1-CG 4.32Å; L195-L202 HydrophobicContact CB-CB 4.23Å; L195-L202 HydrophobicContact CB-CD1 3.92Å; L195-L202 HydrophobicContact CB-CG 4.25Å; L195-L202 PolarHBondContact O-N 2.87Å; L195-L219 HydrophobicContact CD1-CD2 4.36Å; L195-H220 WeakPolarHBondContact CA-O 3.4Å; L195-L221 HydrophobicContact CD2-CB 4.17Å; L195-L221 HydrophobicContact CD2-CD1 3.89Å |
| 196 | I | 97.4 | Very high | 91.2 | Very high | 42 Ų | 42 | 56.4 Ų | 56.4 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131.5 | -178.9 | -57.5 | 172.1 | 0 | 0 | 0 | 108.6 | R194 K200 H220 V222 | R194-I196 HydrophobicContact CG-CG1 4.48Å; I196-K200 CarbonylContact C-O 3.54Å; I196-K200 VanDerWaalsContact CA-O 3.28Å; I196-K200 WeakPolarHBondContact CA-O 3.21Å; I196-K200 WeakPolarHBondContact CG2-O 3.41Å; I196-H220 HydrophobicContact CB-CB 4.29Å; I196-H220 PolarHBondContact N-O 3.25Å; I196-H220 PolarHBondContact O-N 3.01Å; I196-V222 HydrophobicContact CD1-CG2 3.81Å |
| 197 | F | 97.9 | Very high | 91.6 | Very high | 40 Ų | 40 | 54.6 Ų | 54.6 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 138.8 | 173.5 | -176.3 | -112.3 | 0 | 0 | 0 | 109.7 | G199 K200 L202 I213 L219 | F197-G199 PolarHBondContact O-N 2.74Å; F197-G199 VanDerWaalsContact O-N 3.09Å; F197-K200 PolarHBondContact N-O 3.01Å; F197-K200 PolarHBondContact O-N 3.28Å; F197-L202 HydrophobicContact CB-CD1 4.11Å; F197-L202 HydrophobicContact CB-CD2 3.9Å; F197-L202 HydrophobicContact CB-CG 4.31Å; F197-I213 HydrophobicContact CB-CD1 4.32Å; F197-I213 HydrophobicContact CD1-CD1 4.08Å; F197-I213 HydrophobicContact CD1-CG1 3.48Å; F197-I213 VanDerWaalsContact CD1-CG1 3.48Å; F197-I213 HydrophobicContact CD2-CG1 4.3Å; F197-I213 HydrophobicContact CE1-CG1 3.56Å; F197-I213 HydrophobicContact CE2-CG1 4.38Å; F197-I213 HydrophobicContact CG-CD1 4.15Å; F197-I213 HydrophobicContact CG-CG1 3.87Å; F197-I213 HydrophobicContact CZ-CG1 4.03Å; F197-L219 HydrophobicContact CB-CG 4.28Å; F197-L219 HydrophobicContact CD2-CD1 3.97Å; F197-L219 HydrophobicContact CD2-CG 4.32Å |
| 198 | A | 95.2 | Very high | 92.3 | Very high | 86 Ų | 86 | 51.9 Ų | 51.9 | 71% | 0.711 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 38.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | K200 | A198-K200 PolarHBondContact O-N 3.39Š|
| 199 | G | 92.4 | Very high | 92.8 | Very high | 79 Ų | 79 | 53.7 Ų | 53.7 | 81% | 0.814 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 2.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F197 | F197-G199 PolarHBondContact O-N 2.74Å; F197-G199 VanDerWaalsContact O-N 3.09Å |
| 200 | K | 94.5 | Very high | 93.5 | Very high | 142 Ų | 142 | 57.7 Ų | 57.7 | 62% | 0.617 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 139.3 | 178.3 | -64.5 | -178.3 | -179.1 | 178.2 | 0 | 110.9 | I196 F197 A198 | I196-K200 CarbonylContact C-O 3.54Å; I196-K200 VanDerWaalsContact CA-O 3.28Å; I196-K200 WeakPolarHBondContact CA-O 3.21Å; I196-K200 WeakPolarHBondContact CG2-O 3.41Å; F197-K200 PolarHBondContact N-O 3.01Å; F197-K200 PolarHBondContact O-N 3.28Å; A198-K200 PolarHBondContact O-N 3.39Å |
| 201 | Q | 95.3 | Very high | 94 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 39% | 0.388 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 135.9 | 167 | 177.4 | -177.9 | -24.6 | 0 | 0 | 109.2 | R194 | R194-Q201 HydrophobicContact CG-CG 4.09Å; R194-Q201 VanDerWaalsContact NE-CD 3.35Å |
| 202 | L | 97 | Very high | 94.7 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 141.3 | 177.4 | -54.3 | -173.1 | 0 | 0 | 0 | 110.9 | I175 L195 F197 Y211 I213 L219 | I175-L202 HydrophobicContact CB-CB 4.48Å; I175-L202 HydrophobicContact CD1-CB 3.9Å; I175-L202 HydrophobicContact CD1-CD1 3.58Å; I175-L202 HydrophobicContact CD1-CG 4.27Å; I175-L202 HydrophobicContact CG1-CB 3.87Å; I175-L202 HydrophobicContact CG1-CD1 4.49Å; I175-L202 HydrophobicContact CG2-CB 3.8Å; L195-L202 HydrophobicContact CB-CB 4.23Å; L195-L202 HydrophobicContact CB-CD1 3.92Å; L195-L202 HydrophobicContact CB-CG 4.25Å; L195-L202 PolarHBondContact O-N 2.87Å; F197-L202 HydrophobicContact CB-CD1 4.11Å; F197-L202 HydrophobicContact CB-CD2 3.9Å; F197-L202 HydrophobicContact CB-CG 4.31Å; L202-Y211 HydrophobicContact CB-CE2 4.14Å; L202-Y211 HydrophobicContact CD2-CD1 3.68Å; L202-Y211 HydrophobicContact CD2-CD2 3.68Å; L202-Y211 HydrophobicContact CD2-CE1 3.77Å; L202-Y211 HydrophobicContact CD2-CE2 3.73Å; L202-Y211 HydrophobicContact CD2-CG 3.63Å; L202-Y211 HydrophobicContact CG-CE2 4.5Å; L202-I213 HydrophobicContact CD1-CD1 3.91Å; L202-L219 HydrophobicContact CD1-CD2 3.61Å; L202-L219 HydrophobicContact CD1-CG 4.19Å |
| 203 | E | 94.7 | Very high | 95.2 | Very high | 102 Ų | 102 | 59.7 Ų | 59.7 | 48% | 0.477 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -99.9 | 133.2 | -179.6 | -67.3 | 167.3 | -158.6 | 0 | 0 | 110.4 | I175 G205 R206 Y211 | I175-E203 VanDerWaalsContact CB-O 3.28Å; I175-E203 WeakPolarHBondContact CB-O 3.5Å; I175-E203 VanDerWaalsContact CG1-O 3.28Å; I175-E203 WeakPolarHBondContact CG1-O 3.48Å; E203-G205 VanDerWaalsContact C-N 3.29Å; E203-G205 PolarHBondContact O-N 2.83Å; E203-R206 HydrophobicContact CB-CG 4.21Å; E203-R206 PolarHBondContact O-N 2.76Å; E203-R206 IonicContact OE1-CZ 2.8Å; E203-R206 IonicContact OE1-NE 3.12Å; E203-R206 IonicContact OE1-NH2 2.62Å; E203-R206 PolarHBondContact OE1-NH2 2.87Å; E203-R206 IonicContact OE2-CZ 3.29Å; E203-R206 IonicContact OE2-NE 3.06Å; E203-R206 PolarHBondContact OE2-NE 3.04Å; E203-R206 IonicContact OE2-NH2 2.7Å; E203-R206 PolarHBondContact OE2-NH2 3.2Å; E203-Y211 WeakPolarHBondContact CB-OH 3.25Å; E203-Y211 PolarHBondContact N-OH 2.72Å |
| 204 | D | 90.9 | Very high | 95.4 | Very high | 66 Ų | 66 | 64.7 Ų | 64.7 | 35% | 0.353 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -37 | -170 | -69.2 | -2.9 | 0 | 0 | 0 | 113.7 | I175 E176 K179 R206 | I175-D204 PolarHBondContact N-O 2.91Å; E176-D204 HydrophobicContact CB-CB 4.19Å; E176-D204 PolarHBondContact N-O 2.97Å; E176-D204 VanDerWaalsContact N-O 3.13Å; K179-D204 WeakPolarHBondContact CE-OD1 3.33Å; K179-D204 IonicContact NZ-OD1 2.61Å; K179-D204 PolarHBondContact NZ-OD1 2.72Å; K179-D204 IonicContact NZ-OD2 3.96Å; K179-D204 PolarHBondContact NZ-OD2 2.91Å; D204-R206 VanDerWaalsContact C-N 3.34Å; D204-R206 PolarHBondContact O-N 2.76Å |
| 205 | G | 89.9 | Confident | 95.4 | Very high | 73 Ų | 73 | 65.3 Ų | 65.3 | 75% | 0.753 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 1.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116 | E203 | E203-G205 VanDerWaalsContact C-N 3.29Å; E203-G205 PolarHBondContact O-N 2.83Å |
| 206 | R | 95.1 | Very high | 95.3 | Very high | 106 Ų | 106 | 71.1 Ų | 71.1 | 40% | 0.4 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -99.2 | 159 | 175.5 | -65.3 | -160.5 | -160.2 | -159.1 | 0.4 | 111.2 | T174 I175 E203 D204 D210 Y211 | T174-R206 CarbonylContact C-O 3.58Å; T174-R206 VanDerWaalsContact CA-O 3.23Å; T174-R206 WeakPolarHBondContact CA-O 3.26Å; I175-R206 WeakPolarHBondContact CG1-O 3.5Å; I175-R206 PolarHBondContact N-O 3.41Å; E203-R206 HydrophobicContact CB-CG 4.21Å; E203-R206 PolarHBondContact O-N 2.76Å; E203-R206 IonicContact OE1-CZ 2.8Å; E203-R206 IonicContact OE1-NE 3.12Å; E203-R206 IonicContact OE1-NH2 2.62Å; E203-R206 PolarHBondContact OE1-NH2 2.87Å; E203-R206 IonicContact OE2-CZ 3.29Å; E203-R206 IonicContact OE2-NE 3.06Å; E203-R206 PolarHBondContact OE2-NE 3.04Å; E203-R206 IonicContact OE2-NH2 2.7Å; E203-R206 PolarHBondContact OE2-NH2 3.2Å; D204-R206 VanDerWaalsContact C-N 3.34Å; D204-R206 PolarHBondContact O-N 2.76Å; R206-D210 HydrophobicContact CB-CB 4.19Å; R206-Y211 HydrophobicContact CB-CD2 4.3Å; R206-Y211 HydrophobicContact CB-CE2 3.57Å; R206-Y211 WeakPolarHBondContact CD-OH 3.27Å; R206-Y211 HydrophobicContact CG-CE2 4.3Å |
| 207 | T | 96.8 | Very high | 95.3 | Very high | 26 Ų | 26 | 70.1 Ų | 70.1 | 16% | 0.16 | 39% | 0.393 | C | S | . | . | B | Isolated β-bridge | trans | -92.2 | 166.6 | 178.3 | 67.8 | 0 | 0 | 0 | 0 | 112.5 | S172 D173 S209 D210 Y211 | S172-T207 WeakPolarHBondContact O-CG2 3.21Å; D173-T207 CarbonylContact O-C 3.6Å; D173-T207 VanDerWaalsContact O-CA 3.24Å; D173-T207 WeakPolarHBondContact O-CA 3.21Å; T207-S209 PolarHBondContact O-N 3.48Å; T207-S209 PolarHBondContact OG1-N 2.8Å; T207-S209 PolarHBondContact OG1-OG 3.45Å; T207-D210 PolarHBondContact N-OD2 2.83Å; T207-D210 PolarHBondContact O-N 3.24Å; T207-D210 PolarHBondContact OG1-N 2.88Å; T207-D210 VanDerWaalsContact OG1-N 3.13Å; T207-D210 PolarHBondContact OG1-OD2 2.74Å; T207-Y211 WeakPolarHBondContact O-CD2 3.09Å |
| 208 | L | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -39.3 | 168.7 | -69.5 | -176.3 | 0 | 0 | 0 | 111.8 | M153 I155 V169 P171 D173 I175 V178 D210 Y211 N212 I213 | M153-L208 HydrophobicContact CE-CD1 4.2Å; I155-L208 HydrophobicContact CD1-CD1 4.16Å; I155-L208 HydrophobicContact CD1-CD2 4.24Å; V169-L208 HydrophobicContact CB-CD1 3.59Å; V169-L208 HydrophobicContact CG1-CD1 4.11Å; V169-L208 HydrophobicContact CG2-CD1 3.44Å; V169-L208 VanDerWaalsContact CG2-CD1 3.44Å; P171-L208 PolarHBondContact O-N 2.9Å; D173-L208 HydrophobicContact CB-CD1 4.3Å; D173-L208 HydrophobicContact CB-CG 4.48Å; D173-L208 PolarHBondContact O-N 3.16Å; I175-L208 HydrophobicContact CD1-CD2 4.05Å; V178-L208 HydrophobicContact CG2-CD1 4.12Å; V178-L208 HydrophobicContact CG2-CD2 3.9Å; V178-L208 HydrophobicContact CG2-CG 4.05Å; L208-D210 PolarHBondContact O-N 3.48Å; L208-Y211 PolarHBondContact O-N 2.86Å; L208-N212 PolarHBondContact O-N 3.01Å; L208-I213 HydrophobicContact CB-CB 4.18Å; L208-I213 HydrophobicContact CD2-CB 4.12Å; L208-I213 HydrophobicContact CD2-CD1 3.55Å; L208-I213 HydrophobicContact CD2-CG1 4.43Å; L208-I213 HydrophobicContact CD2-CG2 4.02Å; L208-I213 WeakPolarHBondContact O-CB 3.4Å; L208-I213 PolarHBondContact O-N 3.34Å |
| 209 | S | 96 | Very high | 95.4 | Very high | 63 Ų | 63 | 67 Ų | 67 | 44% | 0.441 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -65.1 | -35.8 | 178.6 | 74 | 0 | 0 | 0 | 0 | 113.4 | P171 T207 Y211 N212 | P171-S209 VanDerWaalsContact O-CB 3.32Å; P171-S209 WeakPolarHBondContact O-CB 3.28Å; P171-S209 PolarHBondContact O-N 3.14Å; P171-S209 PolarHBondContact O-OG 2.67Å; T207-S209 PolarHBondContact O-N 3.48Å; T207-S209 PolarHBondContact OG1-N 2.8Å; T207-S209 PolarHBondContact OG1-OG 3.45Å; S209-Y211 PolarHBondContact O-N 3.09Å; S209-N212 WeakPolarHBondContact O-CA 3.43Å; S209-N212 PolarHBondContact O-N 3.47Å |
| 210 | D | 97.1 | Very high | 95.6 | Very high | 96 Ų | 96 | 67.7 Ų | 67.7 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -61.2 | -29.2 | 176.8 | -67.4 | -42.8 | 0 | 0 | 0 | 112.6 | R206 T207 L208 | R206-D210 HydrophobicContact CB-CB 4.19Å; T207-D210 PolarHBondContact N-OD2 2.83Å; T207-D210 PolarHBondContact O-N 3.24Å; T207-D210 PolarHBondContact OG1-N 2.88Å; T207-D210 VanDerWaalsContact OG1-N 3.13Å; T207-D210 PolarHBondContact OG1-OD2 2.74Å; L208-D210 PolarHBondContact O-N 3.48Å |
| 211 | Y | 97.4 | Very high | 95.7 | Very high | 35 Ų | 35 | 61.1 Ų | 61.1 | 14% | 0.137 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -95.3 | 3.8 | 175.3 | -69.3 | -70.3 | 0 | 0 | 0 | 113.5 | I175 L202 E203 R206 T207 L208 S209 I213 | I175-Y211 HydrophobicContact CD1-CD2 4.23Å; I175-Y211 HydrophobicContact CD1-CE2 4.33Å; I175-Y211 HydrophobicContact CG1-CD2 4.35Å; I175-Y211 HydrophobicContact CG1-CE2 3.99Å; L202-Y211 HydrophobicContact CB-CE2 4.14Å; L202-Y211 HydrophobicContact CD2-CD1 3.68Å; L202-Y211 HydrophobicContact CD2-CD2 3.68Å; L202-Y211 HydrophobicContact CD2-CE1 3.77Å; L202-Y211 HydrophobicContact CD2-CE2 3.73Å; L202-Y211 HydrophobicContact CD2-CG 3.63Å; L202-Y211 HydrophobicContact CG-CE2 4.5Å; E203-Y211 WeakPolarHBondContact CB-OH 3.25Å; E203-Y211 PolarHBondContact N-OH 2.72Å; R206-Y211 HydrophobicContact CB-CD2 4.3Å; R206-Y211 HydrophobicContact CB-CE2 3.57Å; R206-Y211 WeakPolarHBondContact CD-OH 3.27Å; R206-Y211 HydrophobicContact CG-CE2 4.3Å; T207-Y211 WeakPolarHBondContact O-CD2 3.09Å; L208-Y211 PolarHBondContact O-N 2.86Å; S209-Y211 PolarHBondContact O-N 3.09Å; Y211-I213 PolarHBondContact O-N 2.9Å |
| 212 | N | 96.7 | Very high | 95.6 | Very high | 108 Ų | 108 | 59.1 Ų | 59.1 | 58% | 0.578 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 39 | -173.8 | -167.5 | 32 | 0 | 0 | 0 | 112.2 | L208 S209 Q214 | L208-N212 PolarHBondContact O-N 3.01Å; S209-N212 WeakPolarHBondContact O-CA 3.43Å; S209-N212 PolarHBondContact O-N 3.47Å; N212-Q214 PolarHBondContact O-N 2.89Å; N212-Q214 PolarHBondContact OD1-NE2 3.31Å |
| 213 | I | 97.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 117.2 | 173.9 | -66.5 | 164.7 | 0 | 0 | 0 | 107 | M153 I155 F197 L202 L208 Y211 L219 | M153-I213 HydrophobicContact CE-CG2 4.39Å; M153-I213 WeakPolarHBondContact CE-O 3.43Å; I155-I213 HydrophobicContact CG2-CG2 3.9Å; F197-I213 HydrophobicContact CB-CD1 4.32Å; F197-I213 HydrophobicContact CD1-CD1 4.08Å; F197-I213 HydrophobicContact CD1-CG1 3.48Å; F197-I213 VanDerWaalsContact CD1-CG1 3.48Å; F197-I213 HydrophobicContact CD2-CG1 4.3Å; F197-I213 HydrophobicContact CE1-CG1 3.56Å; F197-I213 HydrophobicContact CE2-CG1 4.38Å; F197-I213 HydrophobicContact CG-CD1 4.15Å; F197-I213 HydrophobicContact CG-CG1 3.87Å; F197-I213 HydrophobicContact CZ-CG1 4.03Å; L202-I213 HydrophobicContact CD1-CD1 3.91Å; L208-I213 HydrophobicContact CB-CB 4.18Å; L208-I213 HydrophobicContact CD2-CB 4.12Å; L208-I213 HydrophobicContact CD2-CD1 3.55Å; L208-I213 HydrophobicContact CD2-CG1 4.43Å; L208-I213 HydrophobicContact CD2-CG2 4.02Å; L208-I213 WeakPolarHBondContact O-CB 3.4Å; L208-I213 PolarHBondContact O-N 3.34Å; Y211-I213 PolarHBondContact O-N 2.9Å; I213-L219 HydrophobicContact CD1-CD1 4.16Å; I213-L219 HydrophobicContact CD1-CD2 4.28Å; I213-L219 HydrophobicContact CD1-CG 4.43Å; I213-L219 HydrophobicContact CG1-CD1 4.47Å; I213-L219 HydrophobicContact CG2-CD1 3.91Å |
| 214 | Q | 94.8 | Very high | 94.4 | Very high | 106 Ų | 106 | 62.3 Ų | 62.3 | 50% | 0.495 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -102.7 | 169.8 | -176.8 | -64.6 | -61.4 | -32.7 | 0 | 0 | 111.2 | N212 E216 S217 | N212-Q214 PolarHBondContact O-N 2.89Å; N212-Q214 PolarHBondContact OD1-NE2 3.31Å; Q214-E216 PolarHBondContact O-N 3.24Å; Q214-S217 PolarHBondContact N-OG 3.1Å; Q214-S217 WeakPolarHBondContact O-CB 3.09Å; Q214-S217 PolarHBondContact O-N 3.47Å; Q214-S217 PolarHBondContact O-OG 3.07Å |
| 215 | K | 93.4 | Very high | 93 | Very high | 112 Ų | 112 | 67.1 Ų | 67.1 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 138 | 170.7 | -179.2 | 168.7 | 177.7 | 164.7 | 0 | 110.8 | M153 S217 | M153-K215 HydrophobicContact CG-CB 4.08Å; K215-S217 PolarHBondContact O-N 2.87Å |
| 216 | E | 94.3 | Very high | 91.5 | Very high | 123 Ų | 123 | 74.7 Ų | 74.7 | 58% | 0.575 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 10.6 | -177.9 | -66.4 | 162.4 | -158.2 | 0 | 0 | 115.2 | Q154 F156 Q214 | Q154-E216 PolarHBondContact O-N 3.02Å; F156-E216 WeakPolarHBondContact CD2-O 3.2Å; F156-E216 HydrophobicContact CE2-CB 3.87Å; F156-E216 HydrophobicContact CE2-CG 4Å; F156-E216 HydrophobicContact CZ-CG 4.43Å; Q214-E216 PolarHBondContact O-N 3.24Å |
| 217 | S | 97.3 | Very high | 90 | Very high | 21 Ų | 21 | 72.6 Ų | 72.6 | 15% | 0.147 | 37% | 0.371 | C | S | . | . | trans | -62.5 | 146.7 | 171.7 | -66.3 | 0 | 0 | 0 | 0 | 111.9 | F156 Q214 K215 | F156-S217 PolarHBondContact N-O 2.82Å; Q214-S217 PolarHBondContact N-OG 3.1Å; Q214-S217 WeakPolarHBondContact O-CB 3.09Å; Q214-S217 PolarHBondContact O-N 3.47Å; Q214-S217 PolarHBondContact O-OG 3.07Å; K215-S217 PolarHBondContact O-N 2.87Å | ||
| 218 | T | 97.7 | Very high | 88.7 | Confident | 60 Ų | 60 | 71.6 Ų | 71.6 | 37% | 0.368 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 117.9 | 176.2 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | F156 K158 | F156-T218 HydrophobicContact CB-CG2 4.36Å; F156-T218 CarbonylContact O-C 3.56Å; F156-T218 WeakPolarHBondContact O-CA 3.45Å; K158-T218 HydrophobicContact CB-CG2 4.11Å |
| 219 | L | 97.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 152.5 | 169.8 | -76.6 | 63 | 0 | 0 | 0 | 109.5 | I155 F156 V157 K158 L195 F197 L202 I213 | I155-L219 HydrophobicContact CD1-CD1 4.19Å; I155-L219 HydrophobicContact CD1-CD2 4.25Å; F156-L219 PolarHBondContact O-N 2.83Å; V157-L219 WeakPolarHBondContact CA-O 3.37Å; V157-L219 HydrophobicContact CG2-CB 4.37Å; K158-L219 PolarHBondContact N-O 2.61Å; L195-L219 HydrophobicContact CD1-CD2 4.36Å; F197-L219 HydrophobicContact CB-CG 4.28Å; F197-L219 HydrophobicContact CD2-CD1 3.97Å; F197-L219 HydrophobicContact CD2-CG 4.32Å; L202-L219 HydrophobicContact CD1-CD2 3.61Å; L202-L219 HydrophobicContact CD1-CG 4.19Å; I213-L219 HydrophobicContact CD1-CD1 4.16Å; I213-L219 HydrophobicContact CD1-CD2 4.28Å; I213-L219 HydrophobicContact CD1-CG 4.43Å; I213-L219 HydrophobicContact CG1-CD1 4.47Å; I213-L219 HydrophobicContact CG2-CD1 3.91Å |
| 220 | H | 97.7 | Very high | 87.8 | Confident | 95 Ų | 95 | 72.7 Ų | 72.7 | 44% | 0.44 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.6 | 172.9 | -67.8 | 74.1 | 0 | 0 | 0 | 109.7 | K158 L195 I196 | K158-H220 WeakPolarHBondContact O-CA 3.28Å; L195-H220 WeakPolarHBondContact CA-O 3.4Å; I196-H220 HydrophobicContact CB-CB 4.29Å; I196-H220 PolarHBondContact N-O 3.25Å; I196-H220 PolarHBondContact O-N 3.01Å |
| 221 | L | 95.6 | Very high | 87.7 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 121 | 175.3 | 176.4 | 63.5 | 0 | 0 | 0 | 110.3 | V157 K158 T159 I182 I188 Q193 L195 L223 | V157-L221 HydrophobicContact CG1-CB 3.56Å; V157-L221 HydrophobicContact CG1-CD2 4.34Å; K158-L221 PolarHBondContact O-N 3.31Å; T159-L221 HydrophobicContact CG2-CD2 4.43Å; I182-L221 HydrophobicContact CG2-CD2 3.95Å; I188-L221 HydrophobicContact CD1-CD2 3.92Å; Q193-L221 HydrophobicContact CB-CD1 3.74Å; Q193-L221 HydrophobicContact CG-CD1 3.97Å; L195-L221 HydrophobicContact CD2-CB 4.17Å; L195-L221 HydrophobicContact CD2-CD1 3.89Å; L221-L223 HydrophobicContact CD1-CD2 4.46Å; L221-L223 HydrophobicContact CD2-CD2 4.33Å; L221-L223 HydrophobicContact CG-CD2 4.26Å |
| 222 | V | 92.1 | Very high | 87.6 | Confident | 40 Ų | 40 | 69 Ų | 69 | 24% | 0.242 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.6 | 170.8 | 175.9 | 0 | 0 | 0 | 0 | 108.6 | L160 R194 I196 | L160-V222 HydrophobicContact CD1-CB 4.5Å; L160-V222 HydrophobicContact CD1-CG1 4.14Å; L160-V222 HydrophobicContact CD1-CG2 4.4Å; L160-V222 HydrophobicContact CD2-CG2 4.18Å; L160-V222 HydrophobicContact CG-CG2 4.31Å; R194-V222 HydrophobicContact CB-CB 4.29Å; R194-V222 WeakPolarHBondContact CB-O 3.29Å; R194-V222 PolarHBondContact N-O 3.18Å; R194-V222 PolarHBondContact O-N 2.99Å; I196-V222 HydrophobicContact CD1-CG2 3.81Å |
| 223 | L | 87.3 | Confident | 87.6 | Confident | 86 Ų | 86 | 63.8 Ų | 63.8 | 45% | 0.45 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129.9 | 177.3 | -57.4 | -177 | 0 | 0 | 0 | 110.5 | I188 Q192 L221 | I188-L223 HydrophobicContact CD1-CD2 4.16Å; I188-L223 HydrophobicContact CG2-CD2 3.56Å; Q192-L223 CarbonylContact O-C 3.58Å; Q192-L223 WeakPolarHBondContact O-CA 3.45Å; L221-L223 HydrophobicContact CD1-CD2 4.46Å; L221-L223 HydrophobicContact CD2-CD2 4.33Å; L221-L223 HydrophobicContact CG-CD2 4.26Å |
| 224 | R | 81 | Confident | 87.5 | Confident | 87 Ų | 87 | 68 Ų | 68 | 33% | 0.328 | 33% | 0.334 | S | S | . | . | trans | -80.3 | 132.2 | 166.9 | -61.8 | -169.1 | -178.8 | 89.9 | 3.7 | 108.5 | D191 Q192 Q193 R194 | D191-R224 PolarHBondContact O-NH1 3.14Å; D191-R224 VanDerWaalsContact O-NH1 3.14Å; Q192-R224 PolarHBondContact O-N 2.71Å; Q193-R224 PolarHBondContact O-NH1 3.11Å; R194-R224 HydrophobicContact CB-CG 4.49Å | ||
| 225 | L | 61.6 | Low | 87.3 | Confident | 167 Ų | 167 | 64.1 Ų | 64.1 | 87% | 0.874 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -76.1 | -24.1 | -171.4 | -78.3 | 167.8 | 0 | 0 | 0 | 114.4 | ||
| 226 | R | 58.6 | Low | 87 | Confident | 232 Ų | 232 | 65.2 Ų | 65.2 | 88% | 0.875 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -158.1 | 122.7 | -177.5 | -59.7 | -174.7 | -168.1 | 177.5 | 4.3 | 109.4 | ||
| 227 | G | 61.8 | Low | 86.6 | Confident | 62 Ų | 62 | 65.5 Ų | 65.5 | 64% | 0.639 | 34% | 0.339 | S | S | * | . | trans | -173.8 | -20.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 228 | G | 71.1 | Confident | 86 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -85.3 | 170.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | D191 Q230 K291 | D191-G228 WeakPolarHBondContact OD2-CA 3.25Å; G228-Q230 PolarHBondContact O-N 2.84Å; G228-K291 PolarHBondContact O-NZ 2.95Å |
| 229 | M | 85.3 | Confident | 85.7 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 106.2 | 169.5 | 170.6 | -177 | 173.3 | 0 | 0 | 108 | I231 V245 P247 L284 I289 K291 | M229-I231 HydrophobicContact CE-CG2 4.01Å; M229-V245 WeakPolarHBondContact CB-O 3.2Å; M229-V245 HydrophobicContact CE-CG2 4.1Å; M229-V245 HydrophobicContact CG-CG2 3.97Å; M229-V245 WeakPolarHBondContact O-CG2 3.13Å; M229-V245 PolarHBondContact O-N 2.87Å; M229-V245 HydrophobicContact SD-CG2 4.26Å; M229-P247 HydrophobicContact SD-CG 3.76Å; M229-L284 HydrophobicContact CE-CD1 4.3Å; M229-I289 HydrophobicContact CE-CG2 4.35Å; M229-I289 WeakPolarHBondContact CE-O 3.26Å; M229-K291 HydrophobicContact CG-CB 4.12Å |
| 230 | Q | 88.2 | Confident | 85.4 | Confident | 59 Ų | 59 | 72.2 Ų | 72.2 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 141.4 | 171.8 | -71.6 | 177.4 | 11 | 0 | 0 | 109.8 | G228 T242 L243 E244 K291 E292 | G228-Q230 PolarHBondContact O-N 2.84Å; Q230-T242 HydrophobicContact CB-CG2 4.18Å; Q230-T242 HydrophobicContact CG-CG2 4.15Å; Q230-L243 CarbonylContact C-O 3.59Å; Q230-L243 VanDerWaalsContact CA-O 3.25Å; Q230-L243 WeakPolarHBondContact CA-O 3.41Å; Q230-E244 VanDerWaalsContact CD-OE1 3.26Å; Q230-E244 HydrophobicContact CG-CG 4.42Å; Q230-E244 WeakPolarHBondContact CG-OE1 3.5Å; Q230-E244 WeakPolarHBondContact CG-OE2 3.41Å; Q230-E244 PolarHBondContact NE2-OE1 2.92Å; Q230-K291 CarbonylContact O-C 3.57Å; Q230-E292 WeakPolarHBondContact O-CA 3.33Å; Q230-E292 PolarHBondContact O-N 3.19Å |
| 231 | I | 93.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 161.3 | 163.6 | 64.3 | 171.1 | 0 | 0 | 0 | 109.4 | M229 L243 V245 V254 L284 I289 L295 | M229-I231 HydrophobicContact CE-CG2 4.01Å; I231-L243 HydrophobicContact CG1-CB 3.95Å; I231-L243 PolarHBondContact N-O 2.88Å; I231-L243 PolarHBondContact O-N 3.04Å; I231-V245 HydrophobicContact CB-CG2 4.27Å; I231-V245 HydrophobicContact CD1-CG1 3.87Å; I231-V245 HydrophobicContact CD1-CG2 4.03Å; I231-V245 HydrophobicContact CG1-CG1 3.9Å; I231-V245 HydrophobicContact CG1-CG2 3.8Å; I231-V245 HydrophobicContact CG2-CG2 3.67Å; I231-V254 HydrophobicContact CD1-CG1 4.36Å; I231-L284 HydrophobicContact CD1-CD1 4.16Å; I231-L284 HydrophobicContact CD1-CD2 4.27Å; I231-I289 HydrophobicContact CG2-CG2 3.84Å; I231-L295 HydrophobicContact CD1-CD1 4.12Å; I231-L295 HydrophobicContact CD1-CD2 4.21Å |
| 232 | F | 95.8 | Very high | 84.9 | Confident | 53 Ų | 53 | 70.2 Ų | 70.2 | 23% | 0.232 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.7 | 178.2 | -57.6 | -72 | 0 | 0 | 0 | 110 | T240 I241 T242 E292 S293 T294 L295 | F232-T240 HydrophobicContact CB-CG2 3.82Å; F232-T240 HydrophobicContact CD1-CG2 3.88Å; F232-T240 HydrophobicContact CG-CG2 4.19Å; F232-I241 CarbonylContact C-O 3.58Å; F232-I241 WeakPolarHBondContact CA-O 3.39Å; F232-T242 HydrophobicContact CD1-CG2 4.36Å; F232-T242 HydrophobicContact CE1-CG2 4.09Å; F232-E292 WeakPolarHBondContact CD2-O 3.29Å; F232-E292 HydrophobicContact CE2-CB 3.87Å; F232-E292 HydrophobicContact CE2-CG 3.98Å; F232-E292 HydrophobicContact CZ-CG 4.46Å; F232-S293 PolarHBondContact N-O 2.9Å; F232-T294 HydrophobicContact CB-CG2 4.38Å; F232-T294 CarbonylContact O-C 3.5Å; F232-T294 VanDerWaalsContact O-CA 3.28Å; F232-T294 WeakPolarHBondContact O-CA 3.35Å; F232-L295 PolarHBondContact O-N 3.47Å |
| 233 | V | 96.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 110 | 173.3 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | I241 L243 I258 L271 L295 L297 | V233-I241 HydrophobicContact CB-CB 4.29Å; V233-I241 PolarHBondContact N-O 3.29Å; V233-I241 PolarHBondContact O-N 3.47Å; V233-L243 HydrophobicContact CG2-CD1 3.5Å; V233-L243 HydrophobicContact CG2-CG 4.07Å; V233-I258 HydrophobicContact CG1-CD1 4.09Å; V233-I258 HydrophobicContact CG2-CD1 4.18Å; V233-L271 HydrophobicContact CG1-CD2 4.15Å; V233-L295 CarbonylContact C-O 3.57Å; V233-L295 WeakPolarHBondContact CA-O 3.42Å; V233-L295 HydrophobicContact CG2-CB 4.33Å; V233-L297 HydrophobicContact CG1-CB 3.52Å; V233-L297 HydrophobicContact CG1-CD2 4.43Å |
| 234 | K | 95.9 | Very high | 84.6 | Confident | 89 Ų | 89 | 66.3 Ų | 66.3 | 39% | 0.387 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 125.1 | 175.7 | -77.4 | -173.1 | -179.4 | -179.4 | 0 | 110.4 | K239 T240 T294 L295 H296 L297 | K234-K239 CarbonylContact C-O 3.46Å; K234-K239 WeakPolarHBondContact CA-O 3.4Å; K234-T240 HydrophobicContact CG-CG2 4.34Å; K234-T294 HydrophobicContact CB-CG2 4.27Å; K234-T294 HydrophobicContact CD-CG2 3.77Å; K234-T294 HydrophobicContact CG-CG2 3.75Å; K234-L295 PolarHBondContact N-O 3.4Å; K234-H296 CarbonylContact O-C 3.55Å; K234-H296 WeakPolarHBondContact O-CA 3.44Å; K234-L297 PolarHBondContact O-N 2.92Å |
| 235 | T | 91.3 | Very high | 84.8 | Confident | 25 Ų | 25 | 62.3 Ų | 62.3 | 15% | 0.153 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 162.9 | 169.5 | 69.2 | 0 | 0 | 0 | 0 | 110.3 | T237 G238 K239 I241 L297 | T235-T237 PolarHBondContact O-N 3.27Å; T235-T237 PolarHBondContact OG1-N 3.43Å; T235-T237 PolarHBondContact OG1-OG1 2.94Å; T235-G238 PolarHBondContact O-N 2.97Å; T235-K239 HydrophobicContact CG2-CB 4.24Å; T235-K239 PolarHBondContact N-O 2.77Å; T235-K239 WeakPolarHBondContact OG1-CB 3.43Å; T235-K239 PolarHBondContact OG1-N 2.68Å; T235-K239 VanDerWaalsContact OG1-N 3.12Å; T235-K239 PolarHBondContact OG1-O 3.22Å; T235-I241 HydrophobicContact CG2-CD1 3.91Å; T235-L297 HydrophobicContact CG2-CD2 4.48Å |
| 236 | L | 85.6 | Confident | 85.9 | Confident | 136 Ų | 136 | 56.7 Ų | 56.7 | 71% | 0.712 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21.3 | 171.3 | -67.4 | 177.1 | 0 | 0 | 0 | 113.7 | G238 V298 | L236-G238 PolarHBondContact O-N 2.9Å; L236-V298 HydrophobicContact CD1-CG1 4.14Å; L236-V298 HydrophobicContact CD1-CG2 4.32Å; L236-V298 HydrophobicContact CD2-CG2 4.19Å; L236-V298 HydrophobicContact CG-CG2 4.33Å |
| 237 | T | 86.2 | Confident | 87.2 | Confident | 129 Ų | 129 | 49 Ų | 49 | 79% | 0.791 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -2.6 | 174.9 | 60.3 | 0 | 0 | 0 | 0 | 113 | T235 K239 | T235-T237 PolarHBondContact O-N 3.27Å; T235-T237 PolarHBondContact OG1-N 3.43Å; T235-T237 PolarHBondContact OG1-OG1 2.94Å; T237-K239 VanDerWaalsContact C-N 3.33Å |
| 238 | G | 84.8 | Confident | 88.3 | Confident | 56 Ų | 56 | 49.4 Ų | 49.4 | 58% | 0.577 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 85.5 | -1.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T235 L236 T240 | T235-G238 PolarHBondContact O-N 2.97Å; L236-G238 PolarHBondContact O-N 2.9Å; G238-T240 PolarHBondContact O-N 3.28Å |
| 239 | K | 92.1 | Very high | 89.1 | Confident | 101 Ų | 101 | 49.6 Ų | 49.6 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | trans | -66.3 | 133.2 | 173.2 | -177.5 | -179.8 | 173.8 | -174.9 | 0 | 109 | K234 T235 T237 E262 | K234-K239 CarbonylContact C-O 3.46Å; K234-K239 WeakPolarHBondContact CA-O 3.4Å; T235-K239 HydrophobicContact CG2-CB 4.24Å; T235-K239 PolarHBondContact N-O 2.77Å; T235-K239 WeakPolarHBondContact OG1-CB 3.43Å; T235-K239 PolarHBondContact OG1-N 2.68Å; T235-K239 VanDerWaalsContact OG1-N 3.12Å; T235-K239 PolarHBondContact OG1-O 3.22Å; T237-K239 VanDerWaalsContact C-N 3.33Å; K239-E262 WeakPolarHBondContact CE-OE1 3.46Å; K239-E262 IonicContact NZ-OE1 3.02Å; K239-E262 PolarHBondContact NZ-OE1 2.89Å; K239-E262 IonicContact NZ-OE2 2.96Å; K239-E262 PolarHBondContact NZ-OE2 3.19Å | ||
| 240 | T | 92.3 | Very high | 89.4 | Confident | 64 Ų | 64 | 50 Ų | 50 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.8 | 174.1 | -56.7 | 0 | 0 | 0 | 0 | 109.2 | F232 K234 G238 | F232-T240 HydrophobicContact CB-CG2 3.82Å; F232-T240 HydrophobicContact CD1-CG2 3.88Å; F232-T240 HydrophobicContact CG-CG2 4.19Å; K234-T240 HydrophobicContact CG-CG2 4.34Å; G238-T240 PolarHBondContact O-N 3.28Å |
| 241 | I | 91.4 | Very high | 89.7 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.4 | 176.1 | -55.5 | 151.1 | 0 | 0 | 0 | 107.1 | F232 V233 T235 L243 K261 E262 | F232-I241 CarbonylContact C-O 3.58Å; F232-I241 WeakPolarHBondContact CA-O 3.39Å; V233-I241 HydrophobicContact CB-CB 4.29Å; V233-I241 PolarHBondContact N-O 3.29Å; V233-I241 PolarHBondContact O-N 3.47Å; T235-I241 HydrophobicContact CG2-CD1 3.91Å; I241-L243 HydrophobicContact CG2-CD2 3.94Å; I241-L243 HydrophobicContact CG2-CG 4.42Å; I241-K261 HydrophobicContact CG2-CD 4.2Å; I241-E262 HydrophobicContact CD1-CG 3.61Å; I241-E262 HydrophobicContact CG1-CG 4.03Å; I241-E262 HydrophobicContact CG2-CG 4.48Å |
| 242 | T | 90.5 | Very high | 89.6 | Confident | 52 Ų | 52 | 52.9 Ų | 52.9 | 32% | 0.319 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.7 | 172.8 | -53.7 | 0 | 0 | 0 | 0 | 109.2 | Q230 F232 K261 | Q230-T242 HydrophobicContact CB-CG2 4.18Å; Q230-T242 HydrophobicContact CG-CG2 4.15Å; F232-T242 HydrophobicContact CD1-CG2 4.36Å; F232-T242 HydrophobicContact CE1-CG2 4.09Å; T242-K261 PolarHBondContact O-NZ 3.46Å |
| 243 | L | 88.2 | Confident | 89.3 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 137.7 | 173.8 | -60.4 | -179.7 | 0 | 0 | 0 | 109.9 | Q230 I231 V233 I241 V245 V254 K257 I258 K261 | Q230-L243 CarbonylContact C-O 3.59Å; Q230-L243 VanDerWaalsContact CA-O 3.25Å; Q230-L243 WeakPolarHBondContact CA-O 3.41Å; I231-L243 HydrophobicContact CG1-CB 3.95Å; I231-L243 PolarHBondContact N-O 2.88Å; I231-L243 PolarHBondContact O-N 3.04Å; V233-L243 HydrophobicContact CG2-CD1 3.5Å; V233-L243 HydrophobicContact CG2-CG 4.07Å; I241-L243 HydrophobicContact CG2-CD2 3.94Å; I241-L243 HydrophobicContact CG2-CG 4.42Å; L243-V245 HydrophobicContact CB-CG1 3.97Å; L243-V254 HydrophobicContact CD1-CG1 3.87Å; L243-K257 HydrophobicContact CD2-CB 4.26Å; L243-I258 HydrophobicContact CD1-CD1 4.12Å; L243-I258 HydrophobicContact CD1-CG1 3.61Å; L243-I258 HydrophobicContact CD2-CG1 4.34Å; L243-K261 HydrophobicContact CD2-CD 3.92Å |
| 244 | E | 84.6 | Confident | 89.1 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 124.4 | 167.5 | -62.2 | -75.7 | 176.1 | 0 | 0 | 107.4 | P189 Q192 Q230 K257 | P189-E244 HydrophobicContact CG-CB 3.94Å; Q192-E244 VanDerWaalsContact NE2-CD 3.32Å; Q230-E244 VanDerWaalsContact CD-OE1 3.26Å; Q230-E244 HydrophobicContact CG-CG 4.42Å; Q230-E244 WeakPolarHBondContact CG-OE1 3.5Å; Q230-E244 WeakPolarHBondContact CG-OE2 3.41Å; Q230-E244 PolarHBondContact NE2-OE1 2.92Å; E244-K257 PolarHBondContact O-NZ 2.92Å |
| 245 | V | 86.1 | Confident | 89.1 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 163.7 | -170.8 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | M229 I231 L243 D249 V254 K257 L284 | M229-V245 WeakPolarHBondContact CB-O 3.2Å; M229-V245 HydrophobicContact CE-CG2 4.1Å; M229-V245 HydrophobicContact CG-CG2 3.97Å; M229-V245 WeakPolarHBondContact O-CG2 3.13Å; M229-V245 PolarHBondContact O-N 2.87Å; M229-V245 HydrophobicContact SD-CG2 4.26Å; I231-V245 HydrophobicContact CB-CG2 4.27Å; I231-V245 HydrophobicContact CD1-CG1 3.87Å; I231-V245 HydrophobicContact CD1-CG2 4.03Å; I231-V245 HydrophobicContact CG1-CG1 3.9Å; I231-V245 HydrophobicContact CG1-CG2 3.8Å; I231-V245 HydrophobicContact CG2-CG2 3.67Å; L243-V245 HydrophobicContact CB-CG1 3.97Å; V245-D249 VanDerWaalsContact CA-OD2 3.25Å; V245-D249 WeakPolarHBondContact CA-OD2 3.43Å; V245-D249 WeakPolarHBondContact CB-OD2 3.4Å; V245-V254 HydrophobicContact CG1-CG2 4.4Å; V245-K257 HydrophobicContact CG1-CD 4.16Å; V245-L284 HydrophobicContact CB-CD1 3.5Å; V245-L284 VanDerWaalsContact CB-CD1 3.5Å; V245-L284 HydrophobicContact CG1-CD1 4.02Å; V245-L284 HydrophobicContact CG2-CD1 3.37Å |
| 246 | E | 84.6 | Confident | 89 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 23% | 0.234 | 30% | 0.295 | C | S | . | . | trans | -111.6 | 153.4 | 168.4 | -64.1 | -172.9 | 171.7 | 0 | 0 | 110.6 | P190 S248 D249 | P190-E246 VanDerWaalsContact CD-OE1 3.29Å; P190-E246 WeakPolarHBondContact CD-OE1 3.24Å; P190-E246 WeakPolarHBondContact CG-OE1 3.45Å; E246-S248 WeakPolarHBondContact CB-OG 3.47Å; E246-S248 PolarHBondContact O-N 2.96Å; E246-S248 VanDerWaalsContact O-N 3.11Å; E246-S248 PolarHBondContact OE2-OG 2.91Å; E246-D249 PolarHBondContact N-OD2 3.48Å; E246-D249 WeakPolarHBondContact O-CB 3.37Å; E246-D249 PolarHBondContact O-N 3.36Å | ||
| 247 | P | 86.2 | Confident | 89.2 | Confident | 69 Ų | 69 | 45.8 Ų | 45.8 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -28.8 | 175.5 | -24.3 | 33.3 | 0 | 0 | 0 | 113.6 | M229 S285 | M229-P247 HydrophobicContact SD-CG 3.76Å; P247-S285 VanDerWaalsContact O-CB 3.25Å; P247-S285 WeakPolarHBondContact O-CB 3.37Å; P247-S285 PolarHBondContact O-N 2.86Å; P247-S285 PolarHBondContact O-OG 2.89Å |
| 248 | S | 83.8 | Confident | 89.4 | Confident | 72 Ų | 72 | 39.6 Ų | 39.6 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -14.4 | 177 | 43.6 | 0 | 0 | 0 | 0 | 114.2 | E246 T250 T283 | E246-S248 WeakPolarHBondContact CB-OG 3.47Å; E246-S248 PolarHBondContact O-N 2.96Å; E246-S248 VanDerWaalsContact O-N 3.11Å; E246-S248 PolarHBondContact OE2-OG 2.91Å; S248-T250 PolarHBondContact O-N 2.96Å; S248-T283 VanDerWaalsContact O-CG2 3.32Å; S248-T283 WeakPolarHBondContact O-CG2 3.37Å |
| 249 | D | 87.4 | Confident | 89.7 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | trans | -59.5 | 127.5 | -179.5 | -86.7 | -32.3 | 0 | 0 | 0 | 110.2 | V245 E246 N253 V254 K257 T283 L284 | V245-D249 VanDerWaalsContact CA-OD2 3.25Å; V245-D249 WeakPolarHBondContact CA-OD2 3.43Å; V245-D249 WeakPolarHBondContact CB-OD2 3.4Å; E246-D249 PolarHBondContact N-OD2 3.48Å; E246-D249 WeakPolarHBondContact O-CB 3.37Å; E246-D249 PolarHBondContact O-N 3.36Å; D249-N253 HydrophobicContact CB-CB 4.42Å; D249-V254 HydrophobicContact CB-CG2 4.23Å; D249-K257 WeakPolarHBondContact OD2-CE 3.47Å; D249-K257 IonicContact OD2-NZ 3.43Å; D249-K257 PolarHBondContact OD2-NZ 3Å; D249-T283 CarbonylContact O-C 3.57Å; D249-T283 WeakPolarHBondContact O-CA 3.11Å; D249-L284 HydrophobicContact CB-CD1 4.27Å; D249-L284 HydrophobicContact CB-CG 4.46Å; D249-L284 PolarHBondContact O-N 3.37Å | ||
| 250 | T | 91.8 | Very high | 89.3 | Confident | 36 Ų | 36 | 42 Ų | 42 | 22% | 0.221 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -69.4 | 157.6 | 171.4 | 65.1 | 0 | 0 | 0 | 0 | 110.7 | S248 E252 N253 V254 R282 T283 | S248-T250 PolarHBondContact O-N 2.96Å; T250-E252 PolarHBondContact O-N 3.31Å; T250-N253 WeakPolarHBondContact O-CB 3.45Å; T250-N253 PolarHBondContact O-N 3.37Å; T250-N253 PolarHBondContact OG1-N 2.81Å; T250-N253 VanDerWaalsContact OG1-N 3.1Å; T250-N253 PolarHBondContact OG1-OD1 2.8Å; T250-V254 WeakPolarHBondContact O-CG2 3.5Å; T250-V254 PolarHBondContact O-N 3.37Å; T250-R282 CarbonylContact C-O 3.59Å; T250-R282 WeakPolarHBondContact CA-O 3.34Å; T250-T283 HydrophobicContact CG2-CG2 4.48Å |
| 251 | I | 95 | Very high | 89 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.3 | -31.6 | 174.5 | -61.1 | -55 | 0 | 0 | 0 | 111 | V254 K255 L271 L278 E279 D280 R282 L284 Y287 | I251-V254 PolarHBondContact O-N 2.92Å; I251-K255 WeakPolarHBondContact O-CG 3.43Å; I251-K255 PolarHBondContact O-N 2.94Å; I251-L271 HydrophobicContact CG2-CD1 4.27Å; I251-L278 HydrophobicContact CB-CB 4.48Å; I251-L278 HydrophobicContact CD1-CB 3.85Å; I251-L278 HydrophobicContact CD1-CD1 3.61Å; I251-L278 HydrophobicContact CD1-CG 4.26Å; I251-L278 HydrophobicContact CG1-CB 3.85Å; I251-L278 HydrophobicContact CG2-CB 3.81Å; I251-E279 VanDerWaalsContact CB-O 3.27Å; I251-E279 WeakPolarHBondContact CB-O 3.27Å; I251-E279 VanDerWaalsContact CG1-O 3.25Å; I251-E279 WeakPolarHBondContact CG1-O 3.4Å; I251-D280 PolarHBondContact N-O 2.82Å; I251-R282 WeakPolarHBondContact CG1-O 3.31Å; I251-R282 PolarHBondContact N-O 2.85Å; I251-L284 HydrophobicContact CD1-CD2 4.03Å; I251-Y287 HydrophobicContact CD1-CD2 4.2Å; I251-Y287 HydrophobicContact CD1-CE2 4.23Å; I251-Y287 HydrophobicContact CG1-CD2 4.38Å; I251-Y287 HydrophobicContact CG1-CE2 3.94Å |
| 252 | E | 92.4 | Very high | 89 | Confident | 119 Ų | 119 | 47.5 Ų | 47.5 | 56% | 0.556 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60 | -46.6 | 169.7 | -170.2 | 168.8 | -164.6 | 0 | 0 | 112.1 | T250 V254 K255 A256 D280 | T250-E252 PolarHBondContact O-N 3.31Å; E252-V254 VanDerWaalsContact C-N 3.33Å; E252-V254 PolarHBondContact O-N 3.12Å; E252-K255 WeakPolarHBondContact O-CB 3.25Å; E252-K255 PolarHBondContact O-N 3.36Å; E252-K255 VanDerWaalsContact O-N 3.16Å; E252-A256 PolarHBondContact O-N 3.45Å; E252-D280 HydrophobicContact CB-CB 4.23Å; E252-D280 PolarHBondContact N-O 2.88Å; E252-D280 VanDerWaalsContact N-O 3.14Å |
| 253 | N | 88.5 | Confident | 88.9 | Confident | 75 Ų | 75 | 47.9 Ų | 47.9 | 40% | 0.401 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.5 | -67.4 | -2 | 0 | 0 | 0 | 111.5 | D249 T250 K255 A256 K257 | D249-N253 HydrophobicContact CB-CB 4.42Å; T250-N253 WeakPolarHBondContact O-CB 3.45Å; T250-N253 PolarHBondContact O-N 3.37Å; T250-N253 PolarHBondContact OG1-N 2.81Å; T250-N253 VanDerWaalsContact OG1-N 3.1Å; T250-N253 PolarHBondContact OG1-OD1 2.8Å; N253-K255 VanDerWaalsContact C-N 3.29Å; N253-K255 PolarHBondContact O-N 2.84Å; N253-A256 WeakPolarHBondContact O-CB 3.49Å; N253-A256 PolarHBondContact O-N 2.73Å; N253-K257 WeakPolarHBondContact O-CG 3.42Å; N253-K257 PolarHBondContact O-N 3.03Å |
| 254 | V | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 176.9 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | I231 L243 V245 D249 T250 I251 E252 K257 I258 L271 L284 | I231-V254 HydrophobicContact CD1-CG1 4.36Å; L243-V254 HydrophobicContact CD1-CG1 3.87Å; V245-V254 HydrophobicContact CG1-CG2 4.4Å; D249-V254 HydrophobicContact CB-CG2 4.23Å; T250-V254 WeakPolarHBondContact O-CG2 3.5Å; T250-V254 PolarHBondContact O-N 3.37Å; I251-V254 PolarHBondContact O-N 2.92Å; E252-V254 VanDerWaalsContact C-N 3.33Å; E252-V254 PolarHBondContact O-N 3.12Å; V254-K257 PolarHBondContact O-N 3.24Å; V254-I258 HydrophobicContact CG1-CD1 4.41Å; V254-I258 WeakPolarHBondContact O-CG1 3.41Å; V254-I258 PolarHBondContact O-N 2.79Å; V254-I258 VanDerWaalsContact O-N 3.1Å; V254-L271 HydrophobicContact CB-CD1 4.35Å; V254-L271 HydrophobicContact CG1-CD1 3.77Å; V254-L284 HydrophobicContact CG2-CD1 4.07Å; V254-L284 HydrophobicContact CG2-CD2 3.9Å; V254-L284 HydrophobicContact CG2-CG 4.01Å |
| 255 | K | 94.9 | Very high | 89.3 | Confident | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.022 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 175.2 | -72.1 | 173.2 | 168.4 | -171.9 | 0 | 112.5 | I251 E252 N253 K257 I258 Q259 P266 Q269 L271 D280 | I251-K255 WeakPolarHBondContact O-CG 3.43Å; I251-K255 PolarHBondContact O-N 2.94Å; E252-K255 WeakPolarHBondContact O-CB 3.25Å; E252-K255 PolarHBondContact O-N 3.36Å; E252-K255 VanDerWaalsContact O-N 3.16Å; N253-K255 VanDerWaalsContact C-N 3.29Å; N253-K255 PolarHBondContact O-N 2.84Å; K255-K257 VanDerWaalsContact C-N 3.32Å; K255-K257 PolarHBondContact O-N 3.26Å; K255-I258 WeakPolarHBondContact O-CB 3.41Å; K255-I258 PolarHBondContact O-N 3.02Å; K255-I258 VanDerWaalsContact O-N 3.16Å; K255-Q259 PolarHBondContact O-N 2.88Å; K255-P266 HydrophobicContact CB-CB 3.94Å; K255-P266 HydrophobicContact CB-CG 4.47Å; K255-P266 HydrophobicContact CD-CB 4.3Å; K255-P266 PolarHBondContact NZ-O 3.13Å; K255-Q269 HydrophobicContact CD-CB 4.26Å; K255-Q269 WeakPolarHBondContact CE-O 3.38Å; K255-Q269 HydrophobicContact CG-CB 4.02Å; K255-Q269 PolarHBondContact NZ-O 3.17Å; K255-Q269 PolarHBondContact O-NE2 3.32Å; K255-Q269 PolarHBondContact O-OE1 3.14Å; K255-L271 HydrophobicContact CG-CD1 3.92Å; K255-L271 HydrophobicContact CG-CG 4.43Å; K255-D280 WeakPolarHBondContact CE-OD1 3.48Å; K255-D280 VanDerWaalsContact NZ-CG 3.29Å; K255-D280 IonicContact NZ-OD1 2.7Å; K255-D280 PolarHBondContact NZ-OD1 2.7Å; K255-D280 IonicContact NZ-OD2 3.13Å; K255-D280 PolarHBondContact NZ-OD2 3.04Å; K255-D280 VanDerWaalsContact NZ-OD2 3.09Å |
| 256 | A | 89.8 | Confident | 89.5 | Confident | 36 Ų | 36 | 50.7 Ų | 50.7 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.4 | -44.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E252 N253 I258 Q259 D260 | E252-A256 PolarHBondContact O-N 3.45Å; N253-A256 WeakPolarHBondContact O-CB 3.49Å; N253-A256 PolarHBondContact O-N 2.73Å; A256-I258 VanDerWaalsContact C-N 3.27Å; A256-I258 PolarHBondContact O-N 3.38Å; A256-Q259 WeakPolarHBondContact O-CA 3.44Å; A256-Q259 VanDerWaalsContact O-CB 3.28Å; A256-Q259 WeakPolarHBondContact O-CB 3.34Å; A256-Q259 PolarHBondContact O-N 3.41Å; A256-D260 PolarHBondContact O-N 3.43Å |
| 257 | K | 89.2 | Confident | 89.7 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.8 | -34.6 | 175.4 | -66.9 | 172.1 | -168.4 | -118.9 | 0 | 113.2 | L243 E244 V245 D249 N253 V254 K255 K261 | L243-K257 HydrophobicContact CD2-CB 4.26Å; E244-K257 PolarHBondContact O-NZ 2.92Å; V245-K257 HydrophobicContact CG1-CD 4.16Å; D249-K257 WeakPolarHBondContact OD2-CE 3.47Å; D249-K257 IonicContact OD2-NZ 3.43Å; D249-K257 PolarHBondContact OD2-NZ 3Å; N253-K257 WeakPolarHBondContact O-CG 3.42Å; N253-K257 PolarHBondContact O-N 3.03Å; V254-K257 PolarHBondContact O-N 3.24Å; K255-K257 VanDerWaalsContact C-N 3.32Å; K255-K257 PolarHBondContact O-N 3.26Å; K257-K261 PolarHBondContact O-N 3.09Å |
| 258 | I | 91.5 | Very high | 90 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.4 | -40.6 | 173.4 | -65.9 | 165.6 | 0 | 0 | 0 | 110.7 | V233 L243 V254 K255 A256 D260 K261 E262 I264 L271 L297 | V233-I258 HydrophobicContact CG1-CD1 4.09Å; V233-I258 HydrophobicContact CG2-CD1 4.18Å; L243-I258 HydrophobicContact CD1-CD1 4.12Å; L243-I258 HydrophobicContact CD1-CG1 3.61Å; L243-I258 HydrophobicContact CD2-CG1 4.34Å; V254-I258 HydrophobicContact CG1-CD1 4.41Å; V254-I258 WeakPolarHBondContact O-CG1 3.41Å; V254-I258 PolarHBondContact O-N 2.79Å; V254-I258 VanDerWaalsContact O-N 3.1Å; K255-I258 WeakPolarHBondContact O-CB 3.41Å; K255-I258 PolarHBondContact O-N 3.02Å; K255-I258 VanDerWaalsContact O-N 3.16Å; A256-I258 VanDerWaalsContact C-N 3.27Å; A256-I258 PolarHBondContact O-N 3.38Å; I258-D260 VanDerWaalsContact C-N 3.31Å; I258-D260 PolarHBondContact O-N 2.79Å; I258-K261 PolarHBondContact O-N 3.28Å; I258-E262 WeakPolarHBondContact O-CB 3.42Å; I258-E262 PolarHBondContact O-N 2.71Å; I258-I264 HydrophobicContact CG2-CD1 4.38Å; I258-L271 HydrophobicContact CD1-CD1 4.05Å; I258-L271 HydrophobicContact CD1-CD2 3.65Å; I258-L271 HydrophobicContact CD1-CG 4.37Å; I258-L297 HydrophobicContact CG2-CD2 3.93Å |
| 259 | Q | 91.5 | Very high | 90.5 | Very high | 77 Ų | 77 | 49.4 Ų | 49.4 | 36% | 0.36 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59 | -44.8 | 175.3 | -177.1 | -178.1 | 13.4 | 0 | 0 | 110.8 | K255 A256 K261 G263 I264 P266 | K255-Q259 PolarHBondContact O-N 2.88Å; A256-Q259 WeakPolarHBondContact O-CA 3.44Å; A256-Q259 VanDerWaalsContact O-CB 3.28Å; A256-Q259 WeakPolarHBondContact O-CB 3.34Å; A256-Q259 PolarHBondContact O-N 3.41Å; Q259-K261 VanDerWaalsContact C-N 3.31Å; Q259-K261 PolarHBondContact O-N 2.88Å; Q259-G263 WeakPolarHBondContact O-CA 3.47Å; Q259-G263 PolarHBondContact O-N 3.06Å; Q259-I264 VanDerWaalsContact CA-O 3.3Å; Q259-I264 WeakPolarHBondContact CA-O 3.39Å; Q259-I264 WeakPolarHBondContact CB-O 3.36Å; Q259-I264 WeakPolarHBondContact CG-O 3.44Å; Q259-P266 HydrophobicContact CB-CG 4.5Å |
| 260 | D | 83 | Confident | 90.9 | Very high | 131 Ų | 131 | 53.9 Ų | 53.9 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.3 | -36.7 | -179.6 | -65.3 | -26.6 | 0 | 0 | 0 | 112.3 | A256 I258 | A256-D260 PolarHBondContact O-N 3.43Å; I258-D260 VanDerWaalsContact C-N 3.31Å; I258-D260 PolarHBondContact O-N 2.79Å |
| 261 | K | 85.9 | Confident | 91.1 | Very high | 119 Ų | 119 | 52.2 Ų | 52.2 | 52% | 0.517 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -82.6 | -35.5 | -179.7 | -73.2 | -160.7 | 180 | -163.6 | 0 | 114.5 | I241 T242 L243 K257 I258 Q259 | I241-K261 HydrophobicContact CG2-CD 4.2Å; T242-K261 PolarHBondContact O-NZ 3.46Å; L243-K261 HydrophobicContact CD2-CD 3.92Å; K257-K261 PolarHBondContact O-N 3.09Å; I258-K261 PolarHBondContact O-N 3.28Å; Q259-K261 VanDerWaalsContact C-N 3.31Å; Q259-K261 PolarHBondContact O-N 2.88Å |
| 262 | E | 91.3 | Very high | 91.1 | Very high | 66 Ų | 66 | 54.1 Ų | 54.1 | 31% | 0.308 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -121.9 | -6.3 | -167.3 | -61.7 | -69.8 | 141.9 | 0 | 0 | 113.5 | K239 I241 I258 I264 | K239-E262 WeakPolarHBondContact CE-OE1 3.46Å; K239-E262 IonicContact NZ-OE1 3.02Å; K239-E262 PolarHBondContact NZ-OE1 2.89Å; K239-E262 IonicContact NZ-OE2 2.96Å; K239-E262 PolarHBondContact NZ-OE2 3.19Å; I241-E262 HydrophobicContact CD1-CG 3.61Å; I241-E262 HydrophobicContact CG1-CG 4.03Å; I241-E262 HydrophobicContact CG2-CG 4.48Å; I258-E262 WeakPolarHBondContact O-CB 3.42Å; I258-E262 PolarHBondContact O-N 2.71Å; E262-I264 VanDerWaalsContact C-N 3.27Å; E262-I264 HydrophobicContact CB-CD1 3.74Å; E262-I264 HydrophobicContact CB-CG1 4.01Å; E262-I264 PolarHBondContact O-N 3.38Å |
| 263 | G | 89.1 | Confident | 91.4 | Very high | 59 Ų | 59 | 50.4 Ų | 50.4 | 61% | 0.608 | 27% | 0.268 | S | S | * | . | trans | 72.5 | 14.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q259 P265 | Q259-G263 WeakPolarHBondContact O-CA 3.47Å; Q259-G263 PolarHBondContact O-N 3.06Å; G263-P265 WeakPolarHBondContact O-CD 3.01Å | ||
| 264 | I | 89.9 | Confident | 91.5 | Very high | 28 Ų | 28 | 51 Ų | 51 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | trans | -89.9 | 118.2 | -175.6 | -57.1 | 162.7 | 0 | 0 | 0 | 109.5 | I258 Q259 E262 Q268 Q269 L297 L299 | I258-I264 HydrophobicContact CG2-CD1 4.38Å; Q259-I264 VanDerWaalsContact CA-O 3.3Å; Q259-I264 WeakPolarHBondContact CA-O 3.39Å; Q259-I264 WeakPolarHBondContact CB-O 3.36Å; Q259-I264 WeakPolarHBondContact CG-O 3.44Å; E262-I264 VanDerWaalsContact C-N 3.27Å; E262-I264 HydrophobicContact CB-CD1 3.74Å; E262-I264 HydrophobicContact CB-CG1 4.01Å; E262-I264 PolarHBondContact O-N 3.38Å; I264-Q268 HydrophobicContact CG2-CB 4.32Å; I264-Q269 HydrophobicContact CB-CG 4.34Å; I264-Q269 HydrophobicContact CG2-CG 3.63Å; I264-Q269 PolarHBondContact O-NE2 2.92Å; I264-L297 HydrophobicContact CD1-CD2 3.92Å; I264-L299 HydrophobicContact CD1-CD2 4.15Å; I264-L299 HydrophobicContact CG2-CD2 3.55Å | ||
| 265 | P | 90.7 | Very high | 91.4 | Very high | 39 Ų | 39 | 54.5 Ų | 54.5 | 25% | 0.253 | 32% | 0.32 | S | S | . | . | trans | -59.3 | 139.5 | 178.8 | -29.1 | 39 | 0 | 0 | 0 | 113.9 | G263 D267 Q268 Q269 | G263-P265 WeakPolarHBondContact O-CD 3.01Å; P265-D267 VanDerWaalsContact C-N 3.27Å; P265-D267 WeakPolarHBondContact CB-OD1 3.45Å; P265-D267 PolarHBondContact O-N 2.79Å; P265-Q268 HydrophobicContact CB-CG 4.27Å; P265-Q268 WeakPolarHBondContact O-CA 3.41Å; P265-Q268 WeakPolarHBondContact O-CB 3.3Å; P265-Q268 PolarHBondContact O-N 3.44Å; P265-Q269 WeakPolarHBondContact O-CG 3.23Å; P265-Q269 PolarHBondContact O-N 3.12Å | ||
| 266 | P | 90.4 | Very high | 91.4 | Very high | 38 Ų | 38 | 61.3 Ų | 61.3 | 25% | 0.247 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -56.9 | -32.7 | -175.4 | -30.4 | 36.8 | 0 | 0 | 0 | 115.3 | K255 Q259 Q268 Q269 | K255-P266 HydrophobicContact CB-CB 3.94Å; K255-P266 HydrophobicContact CB-CG 4.47Å; K255-P266 HydrophobicContact CD-CB 4.3Å; K255-P266 PolarHBondContact NZ-O 3.13Å; Q259-P266 HydrophobicContact CB-CG 4.5Å; P266-Q268 PolarHBondContact O-N 3.11Å; P266-Q269 WeakPolarHBondContact O-CB 3.35Å; P266-Q269 PolarHBondContact O-N 3.33Å; P266-Q269 VanDerWaalsContact O-N 3.14Å |
| 267 | D | 89.3 | Confident | 91.6 | Very high | 110 Ų | 110 | 63.3 Ų | 63.3 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -66.5 | -27.1 | 176.3 | 64.4 | -43.4 | 0 | 0 | 0 | 112.7 | P265 | P265-D267 VanDerWaalsContact C-N 3.27Å; P265-D267 WeakPolarHBondContact CB-OD1 3.45Å; P265-D267 PolarHBondContact O-N 2.79Å |
| 268 | Q | 91.8 | Very high | 91.9 | Very high | 54 Ų | 54 | 61.6 Ų | 61.6 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -85 | -11.2 | 174.9 | -61.2 | 176.5 | 17.6 | 0 | 0 | 112.7 | I264 P265 P266 L299 R300 | I264-Q268 HydrophobicContact CG2-CB 4.32Å; P265-Q268 HydrophobicContact CB-CG 4.27Å; P265-Q268 WeakPolarHBondContact O-CA 3.41Å; P265-Q268 WeakPolarHBondContact O-CB 3.3Å; P265-Q268 PolarHBondContact O-N 3.44Å; P266-Q268 PolarHBondContact O-N 3.11Å; Q268-L299 WeakPolarHBondContact O-CA 3.21Å; Q268-R300 PolarHBondContact O-N 3.13Å |
| 269 | Q | 94 | Very high | 92 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.2 | -177.9 | -60.9 | 179.8 | 35.9 | 0 | 0 | 111.6 | K255 I264 P265 P266 L297 | K255-Q269 HydrophobicContact CD-CB 4.26Å; K255-Q269 WeakPolarHBondContact CE-O 3.38Å; K255-Q269 HydrophobicContact CG-CB 4.02Å; K255-Q269 PolarHBondContact NZ-O 3.17Å; K255-Q269 PolarHBondContact O-NE2 3.32Å; K255-Q269 PolarHBondContact O-OE1 3.14Å; I264-Q269 HydrophobicContact CB-CG 4.34Å; I264-Q269 HydrophobicContact CG2-CG 3.63Å; I264-Q269 PolarHBondContact O-NE2 2.92Å; P265-Q269 WeakPolarHBondContact O-CG 3.23Å; P265-Q269 PolarHBondContact O-N 3.12Å; P266-Q269 WeakPolarHBondContact O-CB 3.35Å; P266-Q269 PolarHBondContact O-N 3.33Å; P266-Q269 VanDerWaalsContact O-N 3.14Å; Q269-L297 HydrophobicContact CB-CD1 3.77Å; Q269-L297 HydrophobicContact CG-CD1 3.99Å |
| 270 | R | 95.1 | Very high | 92 | Very high | 101 Ų | 101 | 66 Ų | 66 | 38% | 0.381 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 109.4 | 166.6 | -172.1 | -176.6 | -169.1 | -176.7 | 2.4 | 109.1 | Q277 V298 R300 | R270-Q277 HydrophobicContact CG-CG 4.05Å; R270-V298 HydrophobicContact CB-CB 4.24Å; R270-V298 VanDerWaalsContact CB-O 3.28Å; R270-V298 WeakPolarHBondContact CB-O 3.33Å; R270-V298 PolarHBondContact N-O 2.8Å; R270-V298 PolarHBondContact O-N 2.89Å; R270-R300 HydrophobicContact CB-CG 4.27Å |
| 271 | L | 96.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 136.2 | 177.5 | -63.6 | 178.2 | 0 | 0 | 0 | 111 | V233 I251 V254 K255 I258 Q277 L278 L295 H296 L297 | V233-L271 HydrophobicContact CG1-CD2 4.15Å; I251-L271 HydrophobicContact CG2-CD1 4.27Å; V254-L271 HydrophobicContact CB-CD1 4.35Å; V254-L271 HydrophobicContact CG1-CD1 3.77Å; K255-L271 HydrophobicContact CG-CD1 3.92Å; K255-L271 HydrophobicContact CG-CG 4.43Å; I258-L271 HydrophobicContact CD1-CD1 4.05Å; I258-L271 HydrophobicContact CD1-CD2 3.65Å; I258-L271 HydrophobicContact CD1-CG 4.37Å; L271-Q277 WeakPolarHBondContact O-CA 3.1Å; L271-L278 HydrophobicContact CB-CB 4.24Å; L271-L278 HydrophobicContact CB-CD1 3.95Å; L271-L278 HydrophobicContact CB-CG 4.26Å; L271-L278 PolarHBondContact O-N 2.83Å; L271-L295 HydrophobicContact CD1-CD2 4.36Å; L271-H296 CarbonylContact C-O 3.58Å; L271-H296 WeakPolarHBondContact CA-O 3.3Å; L271-L297 HydrophobicContact CD2-CB 4.12Å; L271-L297 HydrophobicContact CD2-CD1 3.81Å |
| 272 | I | 96.3 | Very high | 92.4 | Very high | 40 Ų | 40 | 62.6 Ų | 62.6 | 21% | 0.205 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 131.4 | -178.4 | -56.7 | 173 | 0 | 0 | 0 | 109.1 | K276 L295 H296 V298 | I272-K276 CarbonylContact C-O 3.46Å; I272-K276 VanDerWaalsContact CA-O 3.27Å; I272-K276 WeakPolarHBondContact CA-O 3.41Å; I272-K276 WeakPolarHBondContact CG2-O 3.05Å; I272-L295 CarbonylContact O-C 3.56Å; I272-L295 WeakPolarHBondContact O-CA 3.49Å; I272-H296 HydrophobicContact CB-CB 4.3Å; I272-H296 PolarHBondContact N-O 2.78Å; I272-H296 PolarHBondContact O-N 3.41Å; I272-V298 HydrophobicContact CD1-CG2 3.79Å |
| 273 | F | 96.9 | Very high | 92.5 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 18% | 0.18 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 135.8 | 173.2 | -175.9 | -113.3 | 0 | 0 | 0 | 109.7 | G275 K276 L278 I289 T294 L295 | F273-G275 PolarHBondContact O-N 3.42Å; F273-G275 VanDerWaalsContact O-N 3.09Å; F273-K276 PolarHBondContact N-O 3.18Å; F273-K276 PolarHBondContact O-N 3.46Å; F273-L278 HydrophobicContact CB-CD1 4.18Å; F273-L278 HydrophobicContact CB-CD2 3.88Å; F273-L278 HydrophobicContact CB-CG 4.33Å; F273-I289 HydrophobicContact CB-CD1 4.27Å; F273-I289 HydrophobicContact CD1-CD1 4.08Å; F273-I289 HydrophobicContact CD1-CG1 3.51Å; F273-I289 HydrophobicContact CD2-CG1 4.25Å; F273-I289 HydrophobicContact CE1-CG1 3.59Å; F273-I289 HydrophobicContact CE2-CG1 4.33Å; F273-I289 HydrophobicContact CG-CD1 4.09Å; F273-I289 HydrophobicContact CG-CG1 3.85Å; F273-I289 HydrophobicContact CZ-CG1 4.02Å; F273-T294 WeakPolarHBondContact CD2-O 3.4Å; F273-L295 HydrophobicContact CB-CG 4.28Å; F273-L295 HydrophobicContact CD2-CD1 3.94Å; F273-L295 HydrophobicContact CD2-CG 4.33Å |
| 274 | A | 92.5 | Very high | 92.6 | Very high | 87 Ų | 87 | 57.9 Ų | 57.9 | 72% | 0.719 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 39.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K276 | A274-K276 PolarHBondContact O-N 3.08Š|
| 275 | G | 90.5 | Very high | 92.7 | Very high | 75 Ų | 75 | 59.7 Ų | 59.7 | 77% | 0.773 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -0.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | F273 | F273-G275 PolarHBondContact O-N 3.42Å; F273-G275 VanDerWaalsContact O-N 3.09Å |
| 276 | K | 93.3 | Very high | 92.7 | Very high | 148 Ų | 148 | 62.4 Ų | 62.4 | 64% | 0.643 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.7 | 178 | -64.8 | -176.6 | 180 | 178.3 | 0 | 111.1 | I272 F273 A274 | I272-K276 CarbonylContact C-O 3.46Å; I272-K276 VanDerWaalsContact CA-O 3.27Å; I272-K276 WeakPolarHBondContact CA-O 3.41Å; I272-K276 WeakPolarHBondContact CG2-O 3.05Å; F273-K276 PolarHBondContact N-O 3.18Å; F273-K276 PolarHBondContact O-N 3.46Å; A274-K276 PolarHBondContact O-N 3.08Å |
| 277 | Q | 94.5 | Very high | 92.8 | Very high | 77 Ų | 77 | 62.4 Ų | 62.4 | 36% | 0.36 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 135.4 | 168.3 | 179.4 | -178.6 | -26.1 | 0 | 0 | 109.5 | R270 L271 | R270-Q277 HydrophobicContact CG-CG 4.05Å; L271-Q277 WeakPolarHBondContact O-CA 3.1Å |
| 278 | L | 96 | Very high | 93 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 141.3 | 178.4 | -54.1 | -174.2 | 0 | 0 | 0 | 110.9 | I251 L271 F273 Y287 I289 L295 | I251-L278 HydrophobicContact CB-CB 4.48Å; I251-L278 HydrophobicContact CD1-CB 3.85Å; I251-L278 HydrophobicContact CD1-CD1 3.61Å; I251-L278 HydrophobicContact CD1-CG 4.26Å; I251-L278 HydrophobicContact CG1-CB 3.85Å; I251-L278 HydrophobicContact CG2-CB 3.81Å; L271-L278 HydrophobicContact CB-CB 4.24Å; L271-L278 HydrophobicContact CB-CD1 3.95Å; L271-L278 HydrophobicContact CB-CG 4.26Å; L271-L278 PolarHBondContact O-N 2.83Å; F273-L278 HydrophobicContact CB-CD1 4.18Å; F273-L278 HydrophobicContact CB-CD2 3.88Å; F273-L278 HydrophobicContact CB-CG 4.33Å; L278-Y287 HydrophobicContact CB-CE2 4.17Å; L278-Y287 HydrophobicContact CD2-CD1 3.63Å; L278-Y287 HydrophobicContact CD2-CD2 3.69Å; L278-Y287 HydrophobicContact CD2-CE1 3.71Å; L278-Y287 HydrophobicContact CD2-CE2 3.74Å; L278-Y287 HydrophobicContact CD2-CG 3.62Å; L278-I289 HydrophobicContact CD1-CD1 3.9Å; L278-I289 HydrophobicContact CD2-CD1 4.49Å; L278-L295 HydrophobicContact CD1-CD2 3.54Å; L278-L295 HydrophobicContact CD1-CG 4.1Å |
| 279 | E | 94.1 | Very high | 93.1 | Very high | 101 Ų | 101 | 60.1 Ų | 60.1 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -100.8 | 132.5 | -178.1 | -66.7 | 169.1 | -163.8 | 0 | 0 | 110.4 | I251 G281 R282 Y287 | I251-E279 VanDerWaalsContact CB-O 3.27Å; I251-E279 WeakPolarHBondContact CB-O 3.27Å; I251-E279 VanDerWaalsContact CG1-O 3.25Å; I251-E279 WeakPolarHBondContact CG1-O 3.4Å; E279-G281 VanDerWaalsContact C-N 3.27Å; E279-G281 PolarHBondContact O-N 2.88Å; E279-G281 VanDerWaalsContact O-N 3.16Å; E279-R282 HydrophobicContact CB-CG 4.26Å; E279-R282 PolarHBondContact O-N 2.86Å; E279-R282 IonicContact OE1-NH2 3.04Å; E279-R282 PolarHBondContact OE1-NH2 2.85Å; E279-R282 IonicContact OE2-CZ 2.8Å; E279-R282 VanDerWaalsContact OE2-CZ 3.32Å; E279-R282 IonicContact OE2-NE 3.39Å; E279-R282 PolarHBondContact OE2-NE 3.5Å; E279-R282 IonicContact OE2-NH2 3.99Å; E279-R282 PolarHBondContact OE2-NH2 2.86Å; E279-Y287 WeakPolarHBondContact CB-OH 3.4Å; E279-Y287 PolarHBondContact N-OH 3.21Å |
| 280 | D | 89.9 | Confident | 93 | Very high | 67 Ų | 67 | 65.5 Ų | 65.5 | 36% | 0.358 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -35.8 | -169.9 | -68.5 | -9.7 | 0 | 0 | 0 | 113.9 | I251 E252 K255 R282 | I251-D280 PolarHBondContact N-O 2.82Å; E252-D280 HydrophobicContact CB-CB 4.23Å; E252-D280 PolarHBondContact N-O 2.88Å; E252-D280 VanDerWaalsContact N-O 3.14Å; K255-D280 WeakPolarHBondContact CE-OD1 3.48Å; K255-D280 VanDerWaalsContact NZ-CG 3.29Å; K255-D280 IonicContact NZ-OD1 2.7Å; K255-D280 PolarHBondContact NZ-OD1 2.7Å; K255-D280 IonicContact NZ-OD2 3.13Å; K255-D280 PolarHBondContact NZ-OD2 3.04Å; K255-D280 VanDerWaalsContact NZ-OD2 3.09Å; D280-R282 PolarHBondContact O-N 3.13Å |
| 281 | G | 87.6 | Confident | 92.7 | Very high | 73 Ų | 73 | 66.2 Ų | 66.2 | 75% | 0.753 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 1.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | E279 | E279-G281 VanDerWaalsContact C-N 3.27Å; E279-G281 PolarHBondContact O-N 2.88Å; E279-G281 VanDerWaalsContact O-N 3.16Å |
| 282 | R | 90.9 | Very high | 92.5 | Very high | 107 Ų | 107 | 72.1 Ų | 72.1 | 40% | 0.404 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -99.9 | 159.6 | 175.6 | -66 | -161 | -159.5 | -161 | 1.6 | 111.2 | T250 I251 E279 D280 D286 Y287 | T250-R282 CarbonylContact C-O 3.59Å; T250-R282 WeakPolarHBondContact CA-O 3.34Å; I251-R282 WeakPolarHBondContact CG1-O 3.31Å; I251-R282 PolarHBondContact N-O 2.85Å; E279-R282 HydrophobicContact CB-CG 4.26Å; E279-R282 PolarHBondContact O-N 2.86Å; E279-R282 IonicContact OE1-NH2 3.04Å; E279-R282 PolarHBondContact OE1-NH2 2.85Å; E279-R282 IonicContact OE2-CZ 2.8Å; E279-R282 VanDerWaalsContact OE2-CZ 3.32Å; E279-R282 IonicContact OE2-NE 3.39Å; E279-R282 PolarHBondContact OE2-NE 3.5Å; E279-R282 IonicContact OE2-NH2 3.99Å; E279-R282 PolarHBondContact OE2-NH2 2.86Å; D280-R282 PolarHBondContact O-N 3.13Å; R282-D286 HydrophobicContact CB-CB 4.2Å; R282-Y287 HydrophobicContact CB-CD2 4.37Å; R282-Y287 HydrophobicContact CB-CE2 3.59Å; R282-Y287 HydrophobicContact CG-CE2 4.36Å |
| 283 | T | 92.3 | Very high | 92.4 | Very high | 26 Ų | 26 | 71.2 Ų | 71.2 | 16% | 0.16 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -93.1 | 165.8 | 177.8 | 68 | 0 | 0 | 0 | 0 | 112.5 | S248 D249 T250 S285 D286 Y287 | S248-T283 VanDerWaalsContact O-CG2 3.32Å; S248-T283 WeakPolarHBondContact O-CG2 3.37Å; D249-T283 CarbonylContact O-C 3.57Å; D249-T283 WeakPolarHBondContact O-CA 3.11Å; T250-T283 HydrophobicContact CG2-CG2 4.48Å; T283-S285 PolarHBondContact O-N 3.45Å; T283-S285 PolarHBondContact OG1-N 3.48Å; T283-S285 PolarHBondContact OG1-OG 3.33Å; T283-D286 PolarHBondContact N-OD2 3.07Å; T283-D286 PolarHBondContact O-N 3Å; T283-D286 PolarHBondContact OG1-N 2.78Å; T283-D286 PolarHBondContact OG1-OD2 2.87Å; T283-Y287 WeakPolarHBondContact O-CD2 3.42Å |
| 284 | L | 92.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -38.9 | 169.8 | -70.4 | -176.5 | 0 | 0 | 0 | 112.1 | M229 I231 V245 D249 I251 V254 D286 Y287 N288 I289 | M229-L284 HydrophobicContact CE-CD1 4.3Å; I231-L284 HydrophobicContact CD1-CD1 4.16Å; I231-L284 HydrophobicContact CD1-CD2 4.27Å; V245-L284 HydrophobicContact CB-CD1 3.5Å; V245-L284 VanDerWaalsContact CB-CD1 3.5Å; V245-L284 HydrophobicContact CG1-CD1 4.02Å; V245-L284 HydrophobicContact CG2-CD1 3.37Å; D249-L284 HydrophobicContact CB-CD1 4.27Å; D249-L284 HydrophobicContact CB-CG 4.46Å; D249-L284 PolarHBondContact O-N 3.37Å; I251-L284 HydrophobicContact CD1-CD2 4.03Å; V254-L284 HydrophobicContact CG2-CD1 4.07Å; V254-L284 HydrophobicContact CG2-CD2 3.9Å; V254-L284 HydrophobicContact CG2-CG 4.01Å; L284-D286 VanDerWaalsContact C-N 3.35Å; L284-D286 PolarHBondContact O-N 3.17Å; L284-Y287 PolarHBondContact O-N 2.76Å; L284-N288 PolarHBondContact O-N 3.27Å; L284-I289 HydrophobicContact CB-CB 4.18Å; L284-I289 HydrophobicContact CD2-CB 4.11Å; L284-I289 HydrophobicContact CD2-CD1 3.56Å; L284-I289 HydrophobicContact CD2-CG1 4.43Å; L284-I289 HydrophobicContact CD2-CG2 4.01Å; L284-I289 WeakPolarHBondContact O-CB 3.44Å; L284-I289 PolarHBondContact O-N 3.39Å |
| 285 | S | 90.8 | Very high | 92.6 | Very high | 66 Ų | 66 | 67.3 Ų | 67.3 | 46% | 0.462 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -64.8 | -34.7 | 178 | 72.6 | 0 | 0 | 0 | 0 | 113.2 | P247 T283 Y287 N288 | P247-S285 VanDerWaalsContact O-CB 3.25Å; P247-S285 WeakPolarHBondContact O-CB 3.37Å; P247-S285 PolarHBondContact O-N 2.86Å; P247-S285 PolarHBondContact O-OG 2.89Å; T283-S285 PolarHBondContact O-N 3.45Å; T283-S285 PolarHBondContact OG1-N 3.48Å; T283-S285 PolarHBondContact OG1-OG 3.33Å; S285-Y287 PolarHBondContact O-N 3.36Å; S285-N288 PolarHBondContact O-N 2.96Å |
| 286 | D | 91.4 | Very high | 92.9 | Very high | 96 Ų | 96 | 68.2 Ų | 68.2 | 51% | 0.513 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -61.7 | -27.1 | 176.4 | -66.7 | -43.2 | 0 | 0 | 0 | 112.6 | R282 T283 L284 | R282-D286 HydrophobicContact CB-CB 4.2Å; T283-D286 PolarHBondContact N-OD2 3.07Å; T283-D286 PolarHBondContact O-N 3Å; T283-D286 PolarHBondContact OG1-N 2.78Å; T283-D286 PolarHBondContact OG1-OD2 2.87Å; L284-D286 VanDerWaalsContact C-N 3.35Å; L284-D286 PolarHBondContact O-N 3.17Å |
| 287 | Y | 93.5 | Very high | 93 | Very high | 38 Ų | 38 | 61.3 Ų | 61.3 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -96.6 | 3.7 | 175.4 | -68.2 | -71.9 | 0 | 0 | 0 | 113.4 | I251 L278 E279 R282 T283 L284 S285 I289 | I251-Y287 HydrophobicContact CD1-CD2 4.2Å; I251-Y287 HydrophobicContact CD1-CE2 4.23Å; I251-Y287 HydrophobicContact CG1-CD2 4.38Å; I251-Y287 HydrophobicContact CG1-CE2 3.94Å; L278-Y287 HydrophobicContact CB-CE2 4.17Å; L278-Y287 HydrophobicContact CD2-CD1 3.63Å; L278-Y287 HydrophobicContact CD2-CD2 3.69Å; L278-Y287 HydrophobicContact CD2-CE1 3.71Å; L278-Y287 HydrophobicContact CD2-CE2 3.74Å; L278-Y287 HydrophobicContact CD2-CG 3.62Å; E279-Y287 WeakPolarHBondContact CB-OH 3.4Å; E279-Y287 PolarHBondContact N-OH 3.21Å; R282-Y287 HydrophobicContact CB-CD2 4.37Å; R282-Y287 HydrophobicContact CB-CE2 3.59Å; R282-Y287 HydrophobicContact CG-CE2 4.36Å; T283-Y287 WeakPolarHBondContact O-CD2 3.42Å; L284-Y287 PolarHBondContact O-N 2.76Å; S285-Y287 PolarHBondContact O-N 3.36Å; Y287-I289 HydrophobicContact CG-CD1 4.49Å; Y287-I289 PolarHBondContact O-N 3.25Å |
| 288 | N | 93.2 | Very high | 92.9 | Very high | 110 Ų | 110 | 59.4 Ų | 59.4 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 38.7 | -172.3 | -168.6 | 36.2 | 0 | 0 | 0 | 112 | L284 S285 Q290 | L284-N288 PolarHBondContact O-N 3.27Å; S285-N288 PolarHBondContact O-N 2.96Å; N288-Q290 PolarHBondContact O-N 2.84Å; N288-Q290 PolarHBondContact OD1-NE2 3.03Å; N288-Q290 VanDerWaalsContact OD1-NE2 3.14Å |
| 289 | I | 93.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | trans | -76.4 | 120.1 | 172.7 | -66.8 | 165.2 | 0 | 0 | 0 | 106.7 | M229 I231 F273 L278 L284 Y287 L295 | M229-I289 HydrophobicContact CE-CG2 4.35Å; M229-I289 WeakPolarHBondContact CE-O 3.26Å; I231-I289 HydrophobicContact CG2-CG2 3.84Å; F273-I289 HydrophobicContact CB-CD1 4.27Å; F273-I289 HydrophobicContact CD1-CD1 4.08Å; F273-I289 HydrophobicContact CD1-CG1 3.51Å; F273-I289 HydrophobicContact CD2-CG1 4.25Å; F273-I289 HydrophobicContact CE1-CG1 3.59Å; F273-I289 HydrophobicContact CE2-CG1 4.33Å; F273-I289 HydrophobicContact CG-CD1 4.09Å; F273-I289 HydrophobicContact CG-CG1 3.85Å; F273-I289 HydrophobicContact CZ-CG1 4.02Å; L278-I289 HydrophobicContact CD1-CD1 3.9Å; L278-I289 HydrophobicContact CD2-CD1 4.49Å; L284-I289 HydrophobicContact CB-CB 4.18Å; L284-I289 HydrophobicContact CD2-CB 4.11Å; L284-I289 HydrophobicContact CD2-CD1 3.56Å; L284-I289 HydrophobicContact CD2-CG1 4.43Å; L284-I289 HydrophobicContact CD2-CG2 4.01Å; L284-I289 WeakPolarHBondContact O-CB 3.44Å; L284-I289 PolarHBondContact O-N 3.39Å; Y287-I289 HydrophobicContact CG-CD1 4.49Å; Y287-I289 PolarHBondContact O-N 3.25Å; I289-L295 HydrophobicContact CD1-CD1 4.1Å; I289-L295 HydrophobicContact CD1-CD2 4.33Å; I289-L295 HydrophobicContact CD1-CG 4.42Å; I289-L295 HydrophobicContact CG1-CD1 4.45Å; I289-L295 HydrophobicContact CG2-CD1 3.97Å | ||
| 290 | Q | 91.8 | Very high | 92.1 | Very high | 114 Ų | 114 | 64.7 Ų | 64.7 | 53% | 0.533 | 34% | 0.338 | S | S | . | . | trans | -108.5 | 171.3 | -176.7 | -62.9 | -174.3 | -5.2 | 0 | 0 | 111 | N288 E292 S293 | N288-Q290 PolarHBondContact O-N 2.84Å; N288-Q290 PolarHBondContact OD1-NE2 3.03Å; N288-Q290 VanDerWaalsContact OD1-NE2 3.14Å; Q290-E292 PolarHBondContact O-N 2.92Å; Q290-S293 PolarHBondContact N-OG 2.98Å; Q290-S293 WeakPolarHBondContact O-CB 3.28Å; Q290-S293 PolarHBondContact O-N 3.17Å; Q290-S293 PolarHBondContact O-OG 3.46Å | ||
| 291 | K | 89.2 | Confident | 91 | Very high | 115 Ų | 115 | 69.4 Ų | 69.4 | 50% | 0.5 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 137.5 | 169.6 | -179.4 | 169 | 178.3 | 166.5 | 0 | 110.4 | G228 M229 Q230 S293 | G228-K291 PolarHBondContact O-NZ 2.95Å; M229-K291 HydrophobicContact CG-CB 4.12Å; Q230-K291 CarbonylContact O-C 3.57Å; K291-S293 PolarHBondContact O-N 2.92Å |
| 292 | E | 91.9 | Very high | 89.5 | Confident | 125 Ų | 125 | 76.3 Ų | 76.3 | 58% | 0.584 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 9.6 | -176.7 | -65.5 | 165.2 | -162.5 | 0 | 0 | 115.6 | Q230 F232 Q290 | Q230-E292 WeakPolarHBondContact O-CA 3.33Å; Q230-E292 PolarHBondContact O-N 3.19Å; F232-E292 WeakPolarHBondContact CD2-O 3.29Å; F232-E292 HydrophobicContact CE2-CB 3.87Å; F232-E292 HydrophobicContact CE2-CG 3.98Å; F232-E292 HydrophobicContact CZ-CG 4.46Å; Q290-E292 PolarHBondContact O-N 2.92Å |
| 293 | S | 95.4 | Very high | 87.5 | Confident | 21 Ų | 21 | 74.7 Ų | 74.7 | 15% | 0.147 | 38% | 0.382 | C | S | . | . | trans | -62.3 | 146.9 | 172.9 | -67.7 | 0 | 0 | 0 | 0 | 112.1 | F232 Q290 K291 | F232-S293 PolarHBondContact N-O 2.9Å; Q290-S293 PolarHBondContact N-OG 2.98Å; Q290-S293 WeakPolarHBondContact O-CB 3.28Å; Q290-S293 PolarHBondContact O-N 3.17Å; Q290-S293 PolarHBondContact O-OG 3.46Å; K291-S293 PolarHBondContact O-N 2.92Å | ||
| 294 | T | 96.3 | Very high | 85.2 | Confident | 47 Ų | 47 | 76.8 Ų | 76.8 | 29% | 0.288 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 116.9 | 177.9 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | F232 K234 F273 | F232-T294 HydrophobicContact CB-CG2 4.38Å; F232-T294 CarbonylContact O-C 3.5Å; F232-T294 VanDerWaalsContact O-CA 3.28Å; F232-T294 WeakPolarHBondContact O-CA 3.35Å; K234-T294 HydrophobicContact CB-CG2 4.27Å; K234-T294 HydrophobicContact CD-CG2 3.77Å; K234-T294 HydrophobicContact CG-CG2 3.75Å; F273-T294 WeakPolarHBondContact CD2-O 3.4Å |
| 295 | L | 97.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 88.4 Ų | 88.4 | 0% | 0 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 156.1 | 169.9 | -75.6 | 62.3 | 0 | 0 | 0 | 109.6 | I231 F232 V233 K234 L271 I272 F273 L278 I289 | I231-L295 HydrophobicContact CD1-CD1 4.12Å; I231-L295 HydrophobicContact CD1-CD2 4.21Å; F232-L295 PolarHBondContact O-N 3.47Å; V233-L295 CarbonylContact C-O 3.57Å; V233-L295 WeakPolarHBondContact CA-O 3.42Å; V233-L295 HydrophobicContact CG2-CB 4.33Å; K234-L295 PolarHBondContact N-O 3.4Å; L271-L295 HydrophobicContact CD1-CD2 4.36Å; I272-L295 CarbonylContact O-C 3.56Å; I272-L295 WeakPolarHBondContact O-CA 3.49Å; F273-L295 HydrophobicContact CB-CG 4.28Å; F273-L295 HydrophobicContact CD2-CD1 3.94Å; F273-L295 HydrophobicContact CD2-CG 4.33Å; L278-L295 HydrophobicContact CD1-CD2 3.54Å; L278-L295 HydrophobicContact CD1-CG 4.1Å; I289-L295 HydrophobicContact CD1-CD1 4.1Å; I289-L295 HydrophobicContact CD1-CD2 4.33Å; I289-L295 HydrophobicContact CD1-CG 4.42Å; I289-L295 HydrophobicContact CG1-CD1 4.45Å; I289-L295 HydrophobicContact CG2-CD1 3.97Å |
| 296 | H | 96.7 | Very high | 82 | Confident | 93 Ų | 93 | 89.5 Ų | 89.5 | 43% | 0.431 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 128 | 172.4 | -64.7 | 75.4 | 0 | 0 | 0 | 109.7 | K234 L271 I272 | K234-H296 CarbonylContact O-C 3.55Å; K234-H296 WeakPolarHBondContact O-CA 3.44Å; L271-H296 CarbonylContact C-O 3.58Å; L271-H296 WeakPolarHBondContact CA-O 3.3Å; I272-H296 HydrophobicContact CB-CB 4.3Å; I272-H296 PolarHBondContact N-O 2.78Å; I272-H296 PolarHBondContact O-N 3.41Å |
| 297 | L | 95.4 | Very high | 81.5 | Confident | 4 Ų | 4 | 89.2 Ų | 89.2 | 2% | 0.021 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 118.6 | 174.1 | 175.5 | 63.3 | 0 | 0 | 0 | 109.9 | V233 K234 T235 I258 I264 Q269 L271 | V233-L297 HydrophobicContact CG1-CB 3.52Å; V233-L297 HydrophobicContact CG1-CD2 4.43Å; K234-L297 PolarHBondContact O-N 2.92Å; T235-L297 HydrophobicContact CG2-CD2 4.48Å; I258-L297 HydrophobicContact CG2-CD2 3.93Å; I264-L297 HydrophobicContact CD1-CD2 3.92Å; Q269-L297 HydrophobicContact CB-CD1 3.77Å; Q269-L297 HydrophobicContact CG-CD1 3.99Å; L271-L297 HydrophobicContact CD2-CB 4.12Å; L271-L297 HydrophobicContact CD2-CD1 3.81Å |
| 298 | V | 92.9 | Very high | 80.8 | Confident | 36 Ų | 36 | 92 Ų | 92 | 22% | 0.218 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.7 | 171.3 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | L236 R270 I272 | L236-V298 HydrophobicContact CD1-CG1 4.14Å; L236-V298 HydrophobicContact CD1-CG2 4.32Å; L236-V298 HydrophobicContact CD2-CG2 4.19Å; L236-V298 HydrophobicContact CG-CG2 4.33Å; R270-V298 HydrophobicContact CB-CB 4.24Å; R270-V298 VanDerWaalsContact CB-O 3.28Å; R270-V298 WeakPolarHBondContact CB-O 3.33Å; R270-V298 PolarHBondContact N-O 2.8Å; R270-V298 PolarHBondContact O-N 2.89Å; I272-V298 HydrophobicContact CD1-CG2 3.79Å |
| 299 | L | 89.3 | Confident | 80.1 | Confident | 99 Ų | 99 | 90.9 Ų | 90.9 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 129.8 | 174.8 | -62 | -179.1 | 0 | 0 | 0 | 109.7 | I264 Q268 | I264-L299 HydrophobicContact CD1-CD2 4.15Å; I264-L299 HydrophobicContact CG2-CD2 3.55Å; Q268-L299 WeakPolarHBondContact O-CA 3.21Å |
| 300 | R | 83.1 | Confident | 79.3 | Confident | 116 Ų | 116 | 96.3 Ų | 96.3 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 128.8 | 166.6 | -64.4 | -179 | 176.2 | 173.7 | -1.1 | 107.9 | Q268 R270 | Q268-R300 PolarHBondContact O-N 3.13Å; R270-R300 HydrophobicContact CB-CG 4.27Å |
| 301 | L | 66.6 | Low | 78.4 | Confident | 166 Ų | 166 | 95.1 Ų | 95.1 | 87% | 0.869 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 140.6 | 169.7 | -66.3 | 170.9 | 0 | 0 | 0 | 108.5 | G303 | L301-G303 PolarHBondContact O-N 3.25Š|
| 302 | R | 57.2 | Low | 77.6 | Confident | 219 Ų | 219 | 93.7 Ų | 93.7 | 83% | 0.826 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -50.3 | 119.2 | 171.7 | -76.1 | -175.5 | -175.4 | 179 | 1.4 | 108.2 | G304 | R302-G304 PolarHBondContact O-N 2.88Å; R302-G304 VanDerWaalsContact O-N 3.12Å |
| 303 | G | 48.2 | Very low | 76.6 | Confident | 72 Ų | 72 | 91.3 Ų | 91.3 | 74% | 0.742 | 50% | 0.502 | S | S | * | . | trans | -60.4 | 113.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | L301 | L301-G303 PolarHBondContact O-N 3.25Š| ||
| 304 | G | 43.2 | Very low | 75 | Confident | 71 Ų | 71 | 97.2 Ų | 97.2 | 73% | 0.732 | 53% | 0.532 | S | S | * | . | trans | -57.2 | 141.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | R302 | R302-G304 PolarHBondContact O-N 2.88Å; R302-G304 VanDerWaalsContact O-N 3.12Å | ||
| 305 | N | 33.9 | Very low | 73 | Confident | 243 Ų | 243 | 101.7 Ų | 101.7 | 100% | 1.299 | 55% | 0.554 | S | S | * | * | trans | -44.8 | 0 | 169.2 | -72.8 | -16 | 0 | 0 | 0 | 112 |
Retrieved 305 of 305 residues in 165.1 ms
(Link to these results)