| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 92.6 | Very high | 91 | Very high | 66 Ų | 66 | 66.9 Ų | 66.9 | 33% | 0.325 | 36% | 0.357 | S | S | . | . | 0 | 155.7 | 0 | 67.6 | 178.8 | 179.2 | 0 | 0 | 110 | I3 V17 P19 L56 I61 K63 | M1-I3 HydrophobicContact CE-CG2 4.29Å; M1-V17 HydrophobicContact CE-CG2 4.1Å; M1-V17 HydrophobicContact CG-CG2 4.01Å; M1-V17 WeakPolarHBondContact CG-O 3.47Å; M1-V17 PolarHBondContact N-O 3.45Å; M1-V17 PolarHBondContact O-N 2.94Å; M1-P19 HydrophobicContact CE-CB 4.39Å; M1-P19 HydrophobicContact CE-CG 4Å; M1-P19 HydrophobicContact SD-CG 4.06Å; M1-L56 HydrophobicContact CE-CD1 4.2Å; M1-I61 WeakPolarHBondContact CE-O 3.31Å; M1-K63 HydrophobicContact CB-CB 4.18Å; M1-K63 HydrophobicContact CB-CG 4.11Å; M1-K63 HydrophobicContact SD-CB 4.5Å; M1-K63 PolarHBondContact SD-N 3.34Å | |||
| 2 | Q | 94.4 | Very high | 91.1 | Very high | 80 Ų | 80 | 66.8 Ų | 66.8 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 136.6 | 175.6 | -75.9 | 177.7 | 4.8 | 0 | 0 | 110.5 | T14 L15 E16 E64 | Q2-T14 HydrophobicContact CB-CG2 4.46Å; Q2-T14 HydrophobicContact CG-CG2 4.44Å; Q2-L15 WeakPolarHBondContact CA-O 3.45Å; Q2-E16 HydrophobicContact CG-CG 3.92Å; Q2-E16 PolarHBondContact NE2-OE1 2.99Å; Q2-E64 PolarHBondContact O-N 3.21Å |
| 3 | I | 96.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 160.3 | 170.6 | 63.9 | 167.7 | 0 | 0 | 0 | 109.9 | M1 L15 V17 V26 L56 I61 L67 | M1-I3 HydrophobicContact CE-CG2 4.29Å; I3-L15 HydrophobicContact CG1-CB 4.08Å; I3-L15 PolarHBondContact N-O 3.3Å; I3-L15 PolarHBondContact O-N 3.34Å; I3-V17 HydrophobicContact CB-CG2 4.35Å; I3-V17 HydrophobicContact CD1-CG1 4.03Å; I3-V17 HydrophobicContact CD1-CG2 3.84Å; I3-V17 HydrophobicContact CG1-CG1 4.19Å; I3-V17 HydrophobicContact CG1-CG2 3.74Å; I3-V17 HydrophobicContact CG2-CG2 3.77Å; I3-V26 HydrophobicContact CD1-CG1 4.41Å; I3-L56 HydrophobicContact CD1-CD1 4.49Å; I3-I61 HydrophobicContact CG2-CG2 4.13Å; I3-L67 HydrophobicContact CD1-CD1 4.08Å; I3-L67 HydrophobicContact CD1-CD2 4.41Å |
| 4 | F | 97.2 | Very high | 91.6 | Very high | 57 Ų | 57 | 61.2 Ų | 61.2 | 25% | 0.25 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 139.3 | 177.2 | -56.8 | -72.2 | 0 | 0 | 0 | 110.6 | T12 I13 T14 E64 S65 T66 L67 | F4-T12 HydrophobicContact CB-CG2 4.04Å; F4-T12 HydrophobicContact CD1-CG2 4.1Å; F4-T12 HydrophobicContact CG-CG2 4.42Å; F4-I13 CarbonylContact C-O 3.58Å; F4-I13 WeakPolarHBondContact CA-O 3.31Å; F4-T14 HydrophobicContact CD1-CG2 4.27Å; F4-T14 HydrophobicContact CE1-CG2 4.03Å; F4-E64 HydrophobicContact CE2-CB 3.94Å; F4-E64 HydrophobicContact CE2-CG 4.14Å; F4-S65 PolarHBondContact N-O 2.82Å; F4-T66 HydrophobicContact CB-CG2 4.43Å; F4-T66 CarbonylContact O-C 3.6Å; F4-T66 WeakPolarHBondContact O-CA 3.44Å; F4-L67 PolarHBondContact O-N 3.43Å |
| 5 | V | 96.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 112.6 | 174 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | T12 I13 L15 I30 L43 L67 L69 | V5-T12 CarbonylContact O-C 3.51Å; V5-T12 WeakPolarHBondContact O-CA 3.41Å; V5-I13 HydrophobicContact CB-CB 4.26Å; V5-I13 HydrophobicContact CG1-CD1 4.5Å; V5-I13 PolarHBondContact N-O 3.35Å; V5-I13 PolarHBondContact O-N 2.82Å; V5-L15 HydrophobicContact CG2-CD1 3.7Å; V5-L15 HydrophobicContact CG2-CG 4.48Å; V5-I30 HydrophobicContact CG1-CD1 4.24Å; V5-I30 HydrophobicContact CG2-CD1 4.24Å; V5-L43 HydrophobicContact CG1-CD2 4.08Å; V5-L67 CarbonylContact C-O 3.54Å; V5-L67 WeakPolarHBondContact CA-O 3.08Å; V5-L67 HydrophobicContact CG2-CB 4.4Å; V5-L69 HydrophobicContact CG1-CB 3.55Å; V5-L69 HydrophobicContact CG1-CD2 4.34Å; V5-L69 HydrophobicContact CG1-CG 4.5Å |
| 6 | K | 94.6 | Very high | 92.1 | Very high | 92 Ų | 92 | 62.5 Ų | 62.5 | 40% | 0.4 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.3 | 179.5 | -114.3 | 179.7 | 178.5 | 176.1 | 0 | 110.9 | K11 T12 T66 L67 H68 L69 | K6-K11 WeakPolarHBondContact CA-O 3.15Å; K6-T12 VanDerWaalsContact CE-OG1 3.23Å; K6-T12 WeakPolarHBondContact CE-OG1 3.27Å; K6-T12 HydrophobicContact CG-CG2 4.32Å; K6-T12 VanDerWaalsContact CG-OG1 3.29Å; K6-T12 WeakPolarHBondContact CG-OG1 3.19Å; K6-T66 HydrophobicContact CB-CG2 4.09Å; K6-T66 HydrophobicContact CD-CG2 4.33Å; K6-L67 PolarHBondContact N-O 3.37Å; K6-H68 CarbonylContact O-C 3.5Å; K6-H68 WeakPolarHBondContact O-CA 3.44Å; K6-L69 PolarHBondContact O-N 3.44Å |
| 7 | T | 89.4 | Confident | 92.3 | Very high | 21 Ų | 21 | 59 Ų | 59 | 13% | 0.129 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 162.2 | 170.3 | 70.7 | 0 | 0 | 0 | 0 | 110.5 | T9 G10 K11 I13 L69 | T7-T9 PolarHBondContact O-N 2.66Å; T7-T9 VanDerWaalsContact O-N 3.16Å; T7-T9 PolarHBondContact OG1-N 2.75Å; T7-T9 PolarHBondContact OG1-OG1 2.89Å; T7-G10 PolarHBondContact O-N 3.01Å; T7-K11 HydrophobicContact CG2-CB 4.36Å; T7-K11 PolarHBondContact N-O 2.74Å; T7-K11 WeakPolarHBondContact OG1-CB 3.49Å; T7-K11 PolarHBondContact OG1-N 2.72Å; T7-K11 PolarHBondContact OG1-O 3.41Å; T7-I13 HydrophobicContact CG2-CD1 4.33Å; T7-L69 HydrophobicContact CG2-CD2 4.37Å |
| 8 | L | 82.7 | Confident | 92.4 | Very high | 140 Ų | 140 | 62.4 Ų | 62.4 | 73% | 0.733 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.1 | 173.4 | -65.9 | 174.8 | 0 | 0 | 0 | 113.6 | G10 V70 | L8-G10 VanDerWaalsContact C-N 3.28Å; L8-V70 HydrophobicContact CD1-CG1 4.49Å; L8-V70 HydrophobicContact CD1-CG2 4.43Å |
| 9 | T | 82.1 | Confident | 92.6 | Very high | 128 Ų | 128 | 62.5 Ų | 62.5 | 79% | 0.785 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -5.3 | 176.1 | 69.3 | 0 | 0 | 0 | 0 | 113.3 | T7 | T7-T9 PolarHBondContact O-N 2.66Å; T7-T9 VanDerWaalsContact O-N 3.16Å; T7-T9 PolarHBondContact OG1-N 2.75Å; T7-T9 PolarHBondContact OG1-OG1 2.89Å |
| 10 | G | 84.1 | Confident | 92.8 | Very high | 46 Ų | 46 | 63.3 Ų | 63.3 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 93.1 | -11.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T7 L8 T12 | T7-G10 PolarHBondContact O-N 3.01Å; L8-G10 VanDerWaalsContact C-N 3.28Å; G10-T12 PolarHBondContact O-N 3.16Å |
| 11 | K | 90.8 | Very high | 92.9 | Very high | 106 Ų | 106 | 61.3 Ų | 61.3 | 46% | 0.461 | 33% | 0.333 | S | S | . | . | trans | -59.5 | 133.2 | 172.8 | -172.2 | -179.3 | -179.6 | -175.2 | 0 | 110.5 | K6 T7 E34 | K6-K11 WeakPolarHBondContact CA-O 3.15Å; T7-K11 HydrophobicContact CG2-CB 4.36Å; T7-K11 PolarHBondContact N-O 2.74Å; T7-K11 WeakPolarHBondContact OG1-CB 3.49Å; T7-K11 PolarHBondContact OG1-N 2.72Å; T7-K11 PolarHBondContact OG1-O 3.41Å; K11-E34 WeakPolarHBondContact CE-OE2 3.47Å; K11-E34 IonicContact NZ-OE1 2.81Å; K11-E34 PolarHBondContact NZ-OE1 3.45Å; K11-E34 IonicContact NZ-OE2 2.81Å; K11-E34 PolarHBondContact NZ-OE2 3.33Å | ||
| 12 | T | 92.5 | Very high | 93.1 | Very high | 66 Ų | 66 | 59.3 Ų | 59.3 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.5 | 179.1 | -53.3 | 0 | 0 | 0 | 0 | 110.1 | F4 V5 K6 G10 | F4-T12 HydrophobicContact CB-CG2 4.04Å; F4-T12 HydrophobicContact CD1-CG2 4.1Å; F4-T12 HydrophobicContact CG-CG2 4.42Å; V5-T12 CarbonylContact O-C 3.51Å; V5-T12 WeakPolarHBondContact O-CA 3.41Å; K6-T12 VanDerWaalsContact CE-OG1 3.23Å; K6-T12 WeakPolarHBondContact CE-OG1 3.27Å; K6-T12 HydrophobicContact CG-CG2 4.32Å; K6-T12 VanDerWaalsContact CG-OG1 3.29Å; K6-T12 WeakPolarHBondContact CG-OG1 3.19Å; G10-T12 PolarHBondContact O-N 3.16Å |
| 13 | I | 93 | Very high | 93.3 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.015 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.5 | -179.6 | -54 | 152 | 0 | 0 | 0 | 107.9 | F4 V5 T7 L15 K33 E34 L69 | F4-I13 CarbonylContact C-O 3.58Å; F4-I13 WeakPolarHBondContact CA-O 3.31Å; V5-I13 HydrophobicContact CB-CB 4.26Å; V5-I13 HydrophobicContact CG1-CD1 4.5Å; V5-I13 PolarHBondContact N-O 3.35Å; V5-I13 PolarHBondContact O-N 2.82Å; T7-I13 HydrophobicContact CG2-CD1 4.33Å; I13-L15 HydrophobicContact CG2-CD2 4.35Å; I13-L15 HydrophobicContact CG2-CG 4.44Å; I13-K33 HydrophobicContact CG2-CD 3.97Å; I13-K33 HydrophobicContact CG2-CG 4.45Å; I13-E34 HydrophobicContact CD1-CG 3.65Å; I13-E34 HydrophobicContact CG1-CG 3.97Å; I13-E34 HydrophobicContact CG2-CG 4.16Å; I13-L69 HydrophobicContact CD1-CD2 4.45Å |
| 14 | T | 95.9 | Very high | 93.2 | Very high | 52 Ų | 52 | 60.5 Ų | 60.5 | 32% | 0.319 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 130.7 | 176.9 | -51.8 | 0 | 0 | 0 | 0 | 110.1 | Q2 F4 K33 | Q2-T14 HydrophobicContact CB-CG2 4.46Å; Q2-T14 HydrophobicContact CG-CG2 4.44Å; F4-T14 HydrophobicContact CD1-CG2 4.27Å; F4-T14 HydrophobicContact CE1-CG2 4.03Å; T14-K33 PolarHBondContact O-NZ 3.25Å |
| 15 | L | 95 | Very high | 93.1 | Very high | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 143.1 | 178.2 | -64.5 | 170.9 | 0 | 0 | 0 | 111.5 | Q2 I3 V5 I13 V17 V26 K29 I30 K33 | Q2-L15 WeakPolarHBondContact CA-O 3.45Å; I3-L15 HydrophobicContact CG1-CB 4.08Å; I3-L15 PolarHBondContact N-O 3.3Å; I3-L15 PolarHBondContact O-N 3.34Å; V5-L15 HydrophobicContact CG2-CD1 3.7Å; V5-L15 HydrophobicContact CG2-CG 4.48Å; I13-L15 HydrophobicContact CG2-CD2 4.35Å; I13-L15 HydrophobicContact CG2-CG 4.44Å; L15-V17 HydrophobicContact CB-CG1 4.1Å; L15-V26 HydrophobicContact CD1-CG1 4.14Å; L15-K29 HydrophobicContact CD2-CB 4.23Å; L15-I30 HydrophobicContact CD1-CD1 4.15Å; L15-I30 HydrophobicContact CD1-CG1 3.54Å; L15-K33 HydrophobicContact CD2-CD 3.93Å |
| 16 | E | 95.8 | Very high | 93.1 | Very high | 137 Ų | 137 | 61.4 Ų | 61.4 | 64% | 0.64 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 118.3 | 167.1 | -68.1 | -163.8 | 160.7 | 0 | 0 | 110.3 | Q2 K29 | Q2-E16 HydrophobicContact CG-CG 3.92Å; Q2-E16 PolarHBondContact NE2-OE1 2.99Å; E16-K29 PolarHBondContact O-NZ 3.04Å |
| 17 | V | 95.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | trans | -137.7 | 157.1 | -172.6 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | M1 I3 L15 D21 V26 K29 L56 | M1-V17 HydrophobicContact CE-CG2 4.1Å; M1-V17 HydrophobicContact CG-CG2 4.01Å; M1-V17 WeakPolarHBondContact CG-O 3.47Å; M1-V17 PolarHBondContact N-O 3.45Å; M1-V17 PolarHBondContact O-N 2.94Å; I3-V17 HydrophobicContact CB-CG2 4.35Å; I3-V17 HydrophobicContact CD1-CG1 4.03Å; I3-V17 HydrophobicContact CD1-CG2 3.84Å; I3-V17 HydrophobicContact CG1-CG1 4.19Å; I3-V17 HydrophobicContact CG1-CG2 3.74Å; I3-V17 HydrophobicContact CG2-CG2 3.77Å; L15-V17 HydrophobicContact CB-CG1 4.1Å; V17-D21 VanDerWaalsContact CA-OD2 3.26Å; V17-D21 WeakPolarHBondContact CA-OD2 3.49Å; V17-D21 WeakPolarHBondContact CB-OD2 3.38Å; V17-V26 HydrophobicContact CG1-CG2 4.22Å; V17-K29 HydrophobicContact CG1-CD 4.22Å; V17-L56 HydrophobicContact CB-CD1 3.7Å; V17-L56 HydrophobicContact CG1-CD1 4.31Å; V17-L56 HydrophobicContact CG2-CD1 3.48Å; V17-L56 VanDerWaalsContact CG2-CD1 3.48Å | ||
| 18 | E | 95.3 | Very high | 93.3 | Very high | 120 Ų | 120 | 59.1 Ų | 59.1 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | trans | -102.9 | 148.6 | 168.4 | -63.7 | -169.2 | 168.3 | 0 | 0 | 110.4 | S20 D21 | E18-S20 PolarHBondContact O-N 3.43Å; E18-D21 PolarHBondContact N-OD2 2.98Å; E18-D21 VanDerWaalsContact O-CB 3.29Å; E18-D21 WeakPolarHBondContact O-CB 3.35Å; E18-D21 PolarHBondContact O-N 3.19Å | ||
| 19 | P | 94.8 | Very high | 93.9 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 42% | 0.416 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -25.2 | 177.1 | -25.6 | 34.4 | 0 | 0 | 0 | 114.2 | M1 S57 | M1-P19 HydrophobicContact CE-CB 4.39Å; M1-P19 HydrophobicContact CE-CG 4Å; M1-P19 HydrophobicContact SD-CG 4.06Å; P19-S57 VanDerWaalsContact O-CB 3.31Å; P19-S57 WeakPolarHBondContact O-CB 3.4Å; P19-S57 PolarHBondContact O-N 2.81Å |
| 20 | S | 96.2 | Very high | 94.5 | Very high | 78 Ų | 78 | 49.5 Ų | 49.5 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -10.9 | 174.9 | 42 | 0 | 0 | 0 | 0 | 114.6 | E18 S22 T55 | E18-S20 PolarHBondContact O-N 3.43Å; S20-S22 PolarHBondContact O-N 3.17Å; S20-T55 WeakPolarHBondContact O-CG2 3.47Å |
| 21 | D | 96.3 | Very high | 94.9 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | trans | -60.7 | 131.3 | 177.6 | -77.4 | -20.8 | 0 | 0 | 0 | 109.8 | V17 E18 V26 K29 T55 L56 | V17-D21 VanDerWaalsContact CA-OD2 3.26Å; V17-D21 WeakPolarHBondContact CA-OD2 3.49Å; V17-D21 WeakPolarHBondContact CB-OD2 3.38Å; E18-D21 PolarHBondContact N-OD2 2.98Å; E18-D21 VanDerWaalsContact O-CB 3.29Å; E18-D21 WeakPolarHBondContact O-CB 3.35Å; E18-D21 PolarHBondContact O-N 3.19Å; D21-V26 HydrophobicContact CB-CG2 4.22Å; D21-K29 IonicContact OD2-NZ 2.86Å; D21-K29 PolarHBondContact OD2-NZ 2.97Å; D21-T55 CarbonylContact O-C 3.58Å; D21-T55 VanDerWaalsContact O-CA 3.28Å; D21-T55 WeakPolarHBondContact O-CA 3.46Å; D21-L56 HydrophobicContact CB-CD1 4.25Å; D21-L56 PolarHBondContact O-N 2.79Å | ||
| 22 | S | 97.2 | Very high | 94.7 | Very high | 25 Ų | 25 | 51.2 Ų | 51.2 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -67.3 | 154.9 | 169.5 | 66.5 | 0 | 0 | 0 | 0 | 110.8 | S20 E24 N25 V26 R54 | S20-S22 PolarHBondContact O-N 3.17Å; S22-E24 PolarHBondContact O-N 3.24Å; S22-N25 PolarHBondContact O-N 3.11Å; S22-N25 VanDerWaalsContact O-N 3.11Å; S22-N25 WeakPolarHBondContact OG-CB 3.39Å; S22-N25 PolarHBondContact OG-N 2.83Å; S22-N25 VanDerWaalsContact OG-N 3.12Å; S22-N25 PolarHBondContact OG-OD1 3.26Å; S22-V26 WeakPolarHBondContact O-CG2 3.43Å; S22-V26 PolarHBondContact O-N 3.33Å; S22-R54 CarbonylContact C-O 3.54Å; S22-R54 VanDerWaalsContact CA-O 3.28Å; S22-R54 WeakPolarHBondContact CA-O 3.42Å |
| 23 | I | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -34.5 | 175.1 | -61 | -54.5 | 0 | 0 | 0 | 111 | V26 K27 L43 L50 E51 R54 L56 Y59 | I23-V26 PolarHBondContact O-N 2.82Å; I23-K27 WeakPolarHBondContact O-CG 3.4Å; I23-K27 PolarHBondContact O-N 2.88Å; I23-L43 HydrophobicContact CG2-CD1 4.26Å; I23-L50 HydrophobicContact CB-CB 4.48Å; I23-L50 HydrophobicContact CD1-CB 3.95Å; I23-L50 HydrophobicContact CD1-CD1 3.7Å; I23-L50 HydrophobicContact CD1-CG 4.33Å; I23-L50 HydrophobicContact CG1-CB 3.91Å; I23-L50 HydrophobicContact CG2-CB 3.75Å; I23-E51 WeakPolarHBondContact CB-O 3.46Å; I23-E51 WeakPolarHBondContact CG1-O 3.46Å; I23-R54 WeakPolarHBondContact CG1-O 3.35Å; I23-R54 PolarHBondContact N-O 2.79Å; I23-L56 HydrophobicContact CD1-CD2 3.82Å; I23-L56 HydrophobicContact CD1-CG 4.5Å; I23-Y59 HydrophobicContact CD1-CD2 4.31Å; I23-Y59 HydrophobicContact CD1-CE2 4.44Å; I23-Y59 HydrophobicContact CG1-CD2 4.45Å; I23-Y59 HydrophobicContact CG1-CE2 4.11Å |
| 24 | E | 95.4 | Very high | 94.3 | Very high | 104 Ų | 104 | 56.4 Ų | 56.4 | 49% | 0.486 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 171.5 | -171.4 | 172.9 | -165.1 | 0 | 0 | 112.5 | S22 V26 K27 N28 D52 | S22-E24 PolarHBondContact O-N 3.24Å; E24-V26 VanDerWaalsContact C-N 3.29Å; E24-V26 PolarHBondContact O-N 2.76Å; E24-K27 WeakPolarHBondContact O-CB 3.3Å; E24-K27 PolarHBondContact O-N 2.81Å; E24-K27 VanDerWaalsContact O-N 3.09Å; E24-N28 PolarHBondContact O-N 2.77Å; E24-D52 HydrophobicContact CB-CB 4.22Å; E24-D52 PolarHBondContact N-O 2.89Å; E24-D52 VanDerWaalsContact N-O 3.17Å |
| 25 | N | 95.5 | Very high | 93.8 | Very high | 76 Ų | 76 | 56.8 Ų | 56.8 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 176.8 | -73.8 | -6 | 0 | 0 | 0 | 111.9 | S22 K27 N28 K29 | S22-N25 PolarHBondContact O-N 3.11Å; S22-N25 VanDerWaalsContact O-N 3.11Å; S22-N25 WeakPolarHBondContact OG-CB 3.39Å; S22-N25 PolarHBondContact OG-N 2.83Å; S22-N25 VanDerWaalsContact OG-N 3.12Å; S22-N25 PolarHBondContact OG-OD1 3.26Å; N25-K27 VanDerWaalsContact C-N 3.31Å; N25-K27 PolarHBondContact O-N 2.82Å; N25-N28 PolarHBondContact O-N 2.95Å; N25-K29 WeakPolarHBondContact O-CG 3.5Å; N25-K29 PolarHBondContact O-N 2.92Å |
| 26 | V | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 174.5 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | I3 L15 V17 D21 S22 I23 E24 K29 I30 L43 L56 | I3-V26 HydrophobicContact CD1-CG1 4.41Å; L15-V26 HydrophobicContact CD1-CG1 4.14Å; V17-V26 HydrophobicContact CG1-CG2 4.22Å; D21-V26 HydrophobicContact CB-CG2 4.22Å; S22-V26 WeakPolarHBondContact O-CG2 3.43Å; S22-V26 PolarHBondContact O-N 3.33Å; I23-V26 PolarHBondContact O-N 2.82Å; E24-V26 VanDerWaalsContact C-N 3.29Å; E24-V26 PolarHBondContact O-N 2.76Å; V26-K29 PolarHBondContact O-N 3.24Å; V26-I30 HydrophobicContact CG1-CD1 4.36Å; V26-I30 WeakPolarHBondContact O-CG1 3.38Å; V26-I30 PolarHBondContact O-N 3.47Å; V26-L43 HydrophobicContact CB-CD1 4.42Å; V26-L43 HydrophobicContact CG1-CD1 3.89Å; V26-L56 HydrophobicContact CG2-CD1 3.91Å; V26-L56 HydrophobicContact CG2-CD2 4.06Å; V26-L56 HydrophobicContact CG2-CG 4.03Å |
| 27 | K | 95.2 | Very high | 92.8 | Very high | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.039 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 175.1 | -70.3 | 172.4 | 163 | -168.3 | 0 | 112.5 | I23 E24 N25 K29 I30 Q31 P38 Q41 L43 D52 | I23-K27 WeakPolarHBondContact O-CG 3.4Å; I23-K27 PolarHBondContact O-N 2.88Å; E24-K27 WeakPolarHBondContact O-CB 3.3Å; E24-K27 PolarHBondContact O-N 2.81Å; E24-K27 VanDerWaalsContact O-N 3.09Å; N25-K27 VanDerWaalsContact C-N 3.31Å; N25-K27 PolarHBondContact O-N 2.82Å; K27-K29 VanDerWaalsContact C-N 3.33Å; K27-K29 PolarHBondContact O-N 3.14Å; K27-I30 WeakPolarHBondContact O-CA 3.45Å; K27-I30 WeakPolarHBondContact O-CB 3.38Å; K27-I30 PolarHBondContact O-N 3.32Å; K27-I30 VanDerWaalsContact O-N 3.09Å; K27-Q31 PolarHBondContact O-N 3.29Å; K27-P38 HydrophobicContact CB-CB 3.86Å; K27-P38 HydrophobicContact CB-CG 4.42Å; K27-P38 HydrophobicContact CD-CB 4.26Å; K27-P38 PolarHBondContact NZ-O 3.41Å; K27-Q41 HydrophobicContact CD-CB 4.35Å; K27-Q41 WeakPolarHBondContact CE-O 3.44Å; K27-Q41 HydrophobicContact CG-CB 4.1Å; K27-Q41 PolarHBondContact NZ-O 2.88Å; K27-Q41 VanDerWaalsContact NZ-O 3.14Å; K27-Q41 PolarHBondContact O-NE2 3.17Å; K27-Q41 PolarHBondContact O-OE1 2.73Å; K27-L43 HydrophobicContact CG-CD1 3.98Å; K27-D52 WeakPolarHBondContact CD-OD1 3.43Å; K27-D52 WeakPolarHBondContact CE-OD1 3.39Å; K27-D52 VanDerWaalsContact NZ-CG 3.3Å; K27-D52 IonicContact NZ-OD1 3.05Å; K27-D52 PolarHBondContact NZ-OD1 3.06Å; K27-D52 IonicContact NZ-OD2 3.96Å; K27-D52 PolarHBondContact NZ-OD2 2.96Å; K27-D52 VanDerWaalsContact NZ-OD2 3.1Å |
| 28 | N | 93.6 | Very high | 92.5 | Very high | 56 Ų | 56 | 52.8 Ų | 52.8 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 174.6 | -64.7 | -20.2 | 0 | 0 | 0 | 111 | E24 N25 I30 Q31 D32 P38 | E24-N28 PolarHBondContact O-N 2.77Å; N25-N28 PolarHBondContact O-N 2.95Å; N28-I30 PolarHBondContact O-N 3.43Å; N28-Q31 WeakPolarHBondContact O-CA 3.47Å; N28-Q31 WeakPolarHBondContact O-CB 3.47Å; N28-Q31 PolarHBondContact O-N 3.01Å; N28-D32 PolarHBondContact O-N 2.78Å; N28-P38 WeakPolarHBondContact OD1-CG 3.37Å |
| 29 | K | 95.7 | Very high | 92.1 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 29% | 0.291 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.7 | -31.2 | 173.8 | -68 | -179.8 | 177.4 | -178 | 0 | 113.1 | L15 E16 V17 D21 N25 V26 K27 K33 | L15-K29 HydrophobicContact CD2-CB 4.23Å; E16-K29 PolarHBondContact O-NZ 3.04Å; V17-K29 HydrophobicContact CG1-CD 4.22Å; D21-K29 IonicContact OD2-NZ 2.86Å; D21-K29 PolarHBondContact OD2-NZ 2.97Å; N25-K29 WeakPolarHBondContact O-CG 3.5Å; N25-K29 PolarHBondContact O-N 2.92Å; V26-K29 PolarHBondContact O-N 3.24Å; K27-K29 VanDerWaalsContact C-N 3.33Å; K27-K29 PolarHBondContact O-N 3.14Å; K29-K33 WeakPolarHBondContact O-CB 3.48Å; K29-K33 PolarHBondContact O-N 3.44Å |
| 30 | I | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.7 | -40.6 | 172.4 | -66 | 164.2 | 0 | 0 | 0 | 110.4 | V5 L15 V26 K27 N28 K33 E34 Q41 L43 L69 | V5-I30 HydrophobicContact CG1-CD1 4.24Å; V5-I30 HydrophobicContact CG2-CD1 4.24Å; L15-I30 HydrophobicContact CD1-CD1 4.15Å; L15-I30 HydrophobicContact CD1-CG1 3.54Å; V26-I30 HydrophobicContact CG1-CD1 4.36Å; V26-I30 WeakPolarHBondContact O-CG1 3.38Å; V26-I30 PolarHBondContact O-N 3.47Å; K27-I30 WeakPolarHBondContact O-CA 3.45Å; K27-I30 WeakPolarHBondContact O-CB 3.38Å; K27-I30 PolarHBondContact O-N 3.32Å; K27-I30 VanDerWaalsContact O-N 3.09Å; N28-I30 PolarHBondContact O-N 3.43Å; I30-K33 PolarHBondContact O-N 2.84Å; I30-E34 HydrophobicContact CG2-CB 4.45Å; I30-E34 WeakPolarHBondContact O-CB 3.46Å; I30-E34 PolarHBondContact O-N 3.49Å; I30-Q41 VanDerWaalsContact CD1-OE1 3.31Å; I30-Q41 HydrophobicContact CG2-CG 4.5Å; I30-L43 HydrophobicContact CD1-CD1 4.09Å; I30-L43 HydrophobicContact CD1-CD2 3.75Å; I30-L43 HydrophobicContact CD1-CG 4.41Å; I30-L69 HydrophobicContact CG2-CD2 4.22Å |
| 31 | Q | 91.2 | Very high | 91.5 | Very high | 49 Ų | 49 | 44.8 Ų | 44.8 | 23% | 0.229 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.1 | -48 | 174.8 | -176.7 | 179.9 | 17.6 | 0 | 0 | 110.9 | K27 N28 K33 G35 I36 E94 | K27-Q31 PolarHBondContact O-N 3.29Å; N28-Q31 WeakPolarHBondContact O-CA 3.47Å; N28-Q31 WeakPolarHBondContact O-CB 3.47Å; N28-Q31 PolarHBondContact O-N 3.01Å; Q31-K33 PolarHBondContact O-N 3.01Å; Q31-G35 WeakPolarHBondContact O-CA 3.27Å; Q31-G35 PolarHBondContact O-N 3.27Å; Q31-I36 VanDerWaalsContact CA-O 3.25Å; Q31-I36 WeakPolarHBondContact CA-O 3.38Å; Q31-I36 VanDerWaalsContact CB-O 3.23Å; Q31-I36 WeakPolarHBondContact CB-O 3.38Å; Q31-E94 PolarHBondContact NE2-OE1 3.41Å; Q31-E94 PolarHBondContact NE2-OE2 3.31Å |
| 32 | D | 87.8 | Confident | 91.3 | Very high | 138 Ų | 138 | 48.1 Ų | 48.1 | 74% | 0.738 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60.7 | -32.6 | 179.2 | -65.3 | -25.7 | 0 | 0 | 0 | 112.5 | N28 | N28-D32 PolarHBondContact O-N 2.78Å |
| 33 | K | 88.9 | Confident | 91.2 | Very high | 119 Ų | 119 | 47 Ų | 47 | 52% | 0.517 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -91.7 | -33.7 | -174.4 | -165.8 | 161.7 | -172.7 | 160.3 | 0 | 114.1 | I13 T14 L15 K29 I30 Q31 | I13-K33 HydrophobicContact CG2-CD 3.97Å; I13-K33 HydrophobicContact CG2-CG 4.45Å; T14-K33 PolarHBondContact O-NZ 3.25Å; L15-K33 HydrophobicContact CD2-CD 3.93Å; K29-K33 WeakPolarHBondContact O-CB 3.48Å; K29-K33 PolarHBondContact O-N 3.44Å; I30-K33 PolarHBondContact O-N 2.84Å; Q31-K33 PolarHBondContact O-N 3.01Å |
| 34 | E | 88.4 | Confident | 91.2 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 28% | 0.276 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -123.9 | -4.9 | -170.2 | -63.3 | -73.7 | 145 | 0 | 0 | 113.2 | K11 I13 I30 I36 | K11-E34 WeakPolarHBondContact CE-OE2 3.47Å; K11-E34 IonicContact NZ-OE1 2.81Å; K11-E34 PolarHBondContact NZ-OE1 3.45Å; K11-E34 IonicContact NZ-OE2 2.81Å; K11-E34 PolarHBondContact NZ-OE2 3.33Å; I13-E34 HydrophobicContact CD1-CG 3.65Å; I13-E34 HydrophobicContact CG1-CG 3.97Å; I13-E34 HydrophobicContact CG2-CG 4.16Å; I30-E34 HydrophobicContact CG2-CB 4.45Å; I30-E34 WeakPolarHBondContact O-CB 3.46Å; I30-E34 PolarHBondContact O-N 3.49Å; E34-I36 VanDerWaalsContact C-N 3.26Å; E34-I36 HydrophobicContact CB-CD1 3.93Å; E34-I36 HydrophobicContact CB-CG1 4.04Å; E34-I36 PolarHBondContact O-N 2.95Å |
| 35 | G | 85.1 | Confident | 91.3 | Very high | 60 Ų | 60 | 46.1 Ų | 46.1 | 62% | 0.619 | 24% | 0.239 | S | C | * | . | trans | 72.4 | 14.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q31 P37 | Q31-G35 WeakPolarHBondContact O-CA 3.27Å; Q31-G35 PolarHBondContact O-N 3.27Å; G35-P37 WeakPolarHBondContact O-CD 3.4Å | ||
| 36 | I | 85.3 | Confident | 91.2 | Very high | 28 Ų | 28 | 46.7 Ų | 46.7 | 14% | 0.144 | 25% | 0.254 | C | S | . | . | trans | -93.9 | 118.9 | -175.2 | -56.3 | 171.1 | 0 | 0 | 0 | 109.3 | Q31 E34 Q40 Q41 L69 L71 | Q31-I36 VanDerWaalsContact CA-O 3.25Å; Q31-I36 WeakPolarHBondContact CA-O 3.38Å; Q31-I36 VanDerWaalsContact CB-O 3.23Å; Q31-I36 WeakPolarHBondContact CB-O 3.38Å; E34-I36 VanDerWaalsContact C-N 3.26Å; E34-I36 HydrophobicContact CB-CD1 3.93Å; E34-I36 HydrophobicContact CB-CG1 4.04Å; E34-I36 PolarHBondContact O-N 2.95Å; I36-Q40 HydrophobicContact CG2-CB 4.36Å; I36-Q41 HydrophobicContact CB-CG 4.38Å; I36-Q41 HydrophobicContact CG2-CG 3.67Å; I36-Q41 PolarHBondContact O-NE2 3.24Å; I36-L69 HydrophobicContact CD1-CD2 4.16Å; I36-L71 HydrophobicContact CD1-CD1 4.47Å; I36-L71 HydrophobicContact CD1-CD2 4.02Å; I36-L71 HydrophobicContact CG2-CD2 3.64Å | ||
| 37 | P | 85.1 | Confident | 90.9 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | trans | -59.1 | 140.2 | 178.6 | -31 | 40.2 | 0 | 0 | 0 | 114.4 | G35 D39 Q40 Q41 E94 | G35-P37 WeakPolarHBondContact O-CD 3.4Å; P37-D39 WeakPolarHBondContact CB-OD1 3.08Å; P37-D39 PolarHBondContact O-N 3.42Å; P37-Q40 HydrophobicContact CB-CG 4.33Å; P37-Q40 WeakPolarHBondContact O-CB 3.45Å; P37-Q40 PolarHBondContact O-N 2.91Å; P37-Q41 WeakPolarHBondContact O-CG 3.47Å; P37-Q41 PolarHBondContact O-N 2.84Å; P37-E94 WeakPolarHBondContact CB-OE1 3.43Å | ||
| 38 | P | 89.3 | Confident | 90.9 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 13% | 0.13 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -30.3 | -176.9 | -28.6 | 35.5 | 0 | 0 | 0 | 115.5 | K27 N28 Q41 | K27-P38 HydrophobicContact CB-CB 3.86Å; K27-P38 HydrophobicContact CB-CG 4.42Å; K27-P38 HydrophobicContact CD-CB 4.26Å; K27-P38 PolarHBondContact NZ-O 3.41Å; N28-P38 WeakPolarHBondContact OD1-CG 3.37Å; P38-Q41 PolarHBondContact O-N 3.28Å |
| 39 | D | 85.2 | Confident | 90.9 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -27.9 | 177.7 | 64.3 | -19.2 | 0 | 0 | 0 | 113 | P37 Q41 G76 | P37-D39 WeakPolarHBondContact CB-OD1 3.08Å; P37-D39 PolarHBondContact O-N 3.42Å; D39-Q41 VanDerWaalsContact C-N 3.32Å; D39-G76 WeakPolarHBondContact OD2-CA 3.1Å; D39-G76 PolarHBondContact OD2-N 3.1Å |
| 40 | Q | 87.1 | Confident | 90.9 | Very high | 39 Ų | 39 | 54.9 Ų | 54.9 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -15.5 | 171.6 | -63.8 | -175.8 | 6.5 | 0 | 0 | 112.4 | I36 P37 L71 R72 | I36-Q40 HydrophobicContact CG2-CB 4.36Å; P37-Q40 HydrophobicContact CB-CG 4.33Å; P37-Q40 WeakPolarHBondContact O-CB 3.45Å; P37-Q40 PolarHBondContact O-N 2.91Å; Q40-L71 CarbonylContact O-C 3.47Å; Q40-L71 WeakPolarHBondContact O-CA 3.46Å; Q40-R72 PolarHBondContact O-N 3.16Å |
| 41 | Q | 91.7 | Very high | 91 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 130.4 | -178.7 | -62.4 | 177.4 | 38.2 | 0 | 0 | 112.2 | K27 I30 I36 P37 P38 D39 L69 | K27-Q41 HydrophobicContact CD-CB 4.35Å; K27-Q41 WeakPolarHBondContact CE-O 3.44Å; K27-Q41 HydrophobicContact CG-CB 4.1Å; K27-Q41 PolarHBondContact NZ-O 2.88Å; K27-Q41 VanDerWaalsContact NZ-O 3.14Å; K27-Q41 PolarHBondContact O-NE2 3.17Å; K27-Q41 PolarHBondContact O-OE1 2.73Å; I30-Q41 VanDerWaalsContact CD1-OE1 3.31Å; I30-Q41 HydrophobicContact CG2-CG 4.5Å; I36-Q41 HydrophobicContact CB-CG 4.38Å; I36-Q41 HydrophobicContact CG2-CG 3.67Å; I36-Q41 PolarHBondContact O-NE2 3.24Å; P37-Q41 WeakPolarHBondContact O-CG 3.47Å; P37-Q41 PolarHBondContact O-N 2.84Å; P38-Q41 PolarHBondContact O-N 3.28Å; D39-Q41 VanDerWaalsContact C-N 3.32Å; Q41-L69 HydrophobicContact CB-CD1 3.82Å; Q41-L69 HydrophobicContact CG-CD1 3.98Å |
| 42 | R | 92.3 | Very high | 91 | Very high | 91 Ų | 91 | 60.6 Ų | 60.6 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 108 | 168.2 | -156.3 | 180 | -161.1 | -174.9 | 1.5 | 109 | Q49 V70 | R42-Q49 HydrophobicContact CG-CG 4.03Å; R42-V70 HydrophobicContact CB-CB 4.3Å; R42-V70 VanDerWaalsContact CB-O 3.32Å; R42-V70 WeakPolarHBondContact CB-O 3.42Å; R42-V70 PolarHBondContact N-O 2.93Å; R42-V70 PolarHBondContact O-N 2.72Å |
| 43 | L | 95.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 134.5 | 179.2 | -65.4 | 174.7 | 0 | 0 | 0 | 110.5 | V5 I23 V26 K27 I30 L50 L67 L69 | V5-L43 HydrophobicContact CG1-CD2 4.08Å; I23-L43 HydrophobicContact CG2-CD1 4.26Å; V26-L43 HydrophobicContact CB-CD1 4.42Å; V26-L43 HydrophobicContact CG1-CD1 3.89Å; K27-L43 HydrophobicContact CG-CD1 3.98Å; I30-L43 HydrophobicContact CD1-CD1 4.09Å; I30-L43 HydrophobicContact CD1-CD2 3.75Å; I30-L43 HydrophobicContact CD1-CG 4.41Å; L43-L50 HydrophobicContact CB-CB 4.22Å; L43-L50 HydrophobicContact CB-CD1 3.88Å; L43-L50 HydrophobicContact CB-CG 4.24Å; L43-L50 PolarHBondContact O-N 2.89Å; L43-L67 HydrophobicContact CB-CD2 4.47Å; L43-L67 HydrophobicContact CD1-CD2 4.35Å; L43-L69 HydrophobicContact CD2-CB 4.27Å; L43-L69 HydrophobicContact CD2-CD1 3.89Å |
| 44 | I | 96.4 | Very high | 91.6 | Very high | 45 Ų | 45 | 57.4 Ų | 57.4 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.3 | 179.7 | -57.2 | 179.5 | 0 | 0 | 0 | 108.7 | K48 L67 H68 V70 | I44-K48 CarbonylContact C-O 3.59Å; I44-K48 VanDerWaalsContact CA-O 3.3Å; I44-K48 WeakPolarHBondContact CA-O 3.45Å; I44-K48 WeakPolarHBondContact CG2-O 3.36Å; I44-L67 CarbonylContact O-C 3.57Å; I44-L67 WeakPolarHBondContact O-CA 3.39Å; I44-H68 HydrophobicContact CB-CB 4.32Å; I44-H68 PolarHBondContact N-O 3.13Å; I44-H68 PolarHBondContact O-N 2.89Å; I44-V70 HydrophobicContact CD1-CG2 3.68Å; I44-V70 HydrophobicContact CG1-CG2 4.46Å |
| 45 | F | 96.8 | Very high | 92 | Very high | 41 Ų | 41 | 56.2 Ų | 56.2 | 18% | 0.18 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 133.4 | 172.8 | -177.1 | -110.8 | 0 | 0 | 0 | 109.6 | G47 K48 L50 I61 L67 | F45-G47 PolarHBondContact O-N 3.3Å; F45-G47 VanDerWaalsContact O-N 3.13Å; F45-K48 PolarHBondContact N-O 2.81Å; F45-K48 PolarHBondContact O-N 2.87Å; F45-L50 HydrophobicContact CB-CD1 4.22Å; 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 4.16Å; F45-I61 HydrophobicContact CD1-CG1 3.57Å; F45-I61 HydrophobicContact CD2-CG1 4.36Å; F45-I61 HydrophobicContact CE1-CG1 3.72Å; F45-I61 HydrophobicContact CE2-CG1 4.49Å; F45-I61 HydrophobicContact CG-CD1 4.15Å; F45-I61 HydrophobicContact CG-CG1 3.91Å; F45-I61 HydrophobicContact CZ-CG1 4.19Å; F45-L67 HydrophobicContact CB-CG 4.33Å; F45-L67 HydrophobicContact CD2-CD1 4.19Å; F45-L67 HydrophobicContact CD2-CG 4.32Å |
| 46 | A | 93 | Very high | 92.5 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 73% | 0.727 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 41.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K48 | A46-K48 PolarHBondContact O-N 2.67Š|
| 47 | G | 91.7 | Very high | 93 | Very high | 76 Ų | 76 | 54.8 Ų | 54.8 | 78% | 0.784 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | -0.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F45 | F45-G47 PolarHBondContact O-N 3.3Å; F45-G47 VanDerWaalsContact O-N 3.13Å |
| 48 | K | 93.9 | Very high | 93.5 | Very high | 144 Ų | 144 | 58.6 Ų | 58.6 | 63% | 0.626 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.7 | 177 | -66.3 | -177.1 | 179 | 178 | 0 | 110.9 | I44 F45 A46 | I44-K48 CarbonylContact C-O 3.59Å; I44-K48 VanDerWaalsContact CA-O 3.3Å; I44-K48 WeakPolarHBondContact CA-O 3.45Å; I44-K48 WeakPolarHBondContact CG2-O 3.36Å; F45-K48 PolarHBondContact N-O 2.81Å; F45-K48 PolarHBondContact O-N 2.87Å; A46-K48 PolarHBondContact O-N 2.67Å |
| 49 | Q | 94.7 | Very high | 93.8 | Very high | 81 Ų | 81 | 59.3 Ų | 59.3 | 38% | 0.379 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 135.5 | 168.3 | -179.1 | -175.2 | -16.5 | 0 | 0 | 109.6 | R42 | R42-Q49 HydrophobicContact CG-CG 4.03Å |
| 50 | L | 96.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 133.3 | 176 | -54.3 | -173.5 | 0 | 0 | 0 | 110.3 | I23 L43 F45 Y59 I61 L67 | I23-L50 HydrophobicContact CB-CB 4.48Å; I23-L50 HydrophobicContact CD1-CB 3.95Å; I23-L50 HydrophobicContact CD1-CD1 3.7Å; I23-L50 HydrophobicContact CD1-CG 4.33Å; I23-L50 HydrophobicContact CG1-CB 3.91Å; I23-L50 HydrophobicContact CG2-CB 3.75Å; L43-L50 HydrophobicContact CB-CB 4.22Å; L43-L50 HydrophobicContact CB-CD1 3.88Å; L43-L50 HydrophobicContact CB-CG 4.24Å; L43-L50 PolarHBondContact O-N 2.89Å; F45-L50 HydrophobicContact CB-CD1 4.22Å; 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 3.64Å; L50-Y59 HydrophobicContact CD2-CD2 3.64Å; L50-Y59 HydrophobicContact CD2-CE1 3.81Å; L50-Y59 HydrophobicContact CD2-CE2 3.77Å; L50-Y59 HydrophobicContact CD2-CG 3.54Å; L50-I61 HydrophobicContact CD1-CD1 3.86Å; L50-I61 HydrophobicContact CD2-CD1 4.38Å; L50-L67 HydrophobicContact CD1-CD2 3.52Å; L50-L67 HydrophobicContact CD1-CG 4.22Å |
| 51 | E | 94.7 | Very high | 94.7 | Very high | 102 Ų | 102 | 61.5 Ų | 61.5 | 48% | 0.477 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 132.9 | 179.9 | -66.9 | 171.2 | -178.2 | 0 | 0 | 110.3 | I23 G53 R54 Y59 | I23-E51 WeakPolarHBondContact CB-O 3.46Å; I23-E51 WeakPolarHBondContact CG1-O 3.46Å; E51-G53 VanDerWaalsContact C-N 3.27Å; E51-G53 PolarHBondContact O-N 3.47Å; E51-G53 VanDerWaalsContact O-N 3.17Å; E51-R54 HydrophobicContact CB-CG 4.32Å; E51-R54 PolarHBondContact O-N 3.29Å; E51-R54 IonicContact OE1-NH2 3.1Å; E51-R54 IonicContact OE2-CZ 3.99Å; E51-R54 IonicContact OE2-NE 2.61Å; E51-R54 PolarHBondContact OE2-NE 2.6Å; E51-R54 IonicContact OE2-NH2 3.97Å; E51-R54 PolarHBondContact OE2-NH2 2.81Å; E51-Y59 WeakPolarHBondContact CB-OH 3.19Å; E51-Y59 PolarHBondContact N-OH 3.03Å |
| 52 | D | 92.4 | Very high | 94.8 | Very high | 67 Ų | 67 | 68.2 Ų | 68.2 | 36% | 0.358 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -36.2 | -169.6 | -68.6 | -16.8 | 0 | 0 | 0 | 113.9 | E24 K27 R54 | E24-D52 HydrophobicContact CB-CB 4.22Å; E24-D52 PolarHBondContact N-O 2.89Å; E24-D52 VanDerWaalsContact N-O 3.17Å; K27-D52 WeakPolarHBondContact CD-OD1 3.43Å; K27-D52 WeakPolarHBondContact CE-OD1 3.39Å; K27-D52 VanDerWaalsContact NZ-CG 3.3Å; K27-D52 IonicContact NZ-OD1 3.05Å; K27-D52 PolarHBondContact NZ-OD1 3.06Å; K27-D52 IonicContact NZ-OD2 3.96Å; K27-D52 PolarHBondContact NZ-OD2 2.96Å; K27-D52 VanDerWaalsContact NZ-OD2 3.1Å; D52-R54 PolarHBondContact O-N 2.91Å |
| 53 | G | 92.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 70 Ų | 70 | 81% | 0.814 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -3.1 | -179 | 0 | 0 | 0 | 0 | 0 | 116.1 | E51 | E51-G53 VanDerWaalsContact C-N 3.27Å; E51-G53 PolarHBondContact O-N 3.47Å; E51-G53 VanDerWaalsContact O-N 3.17Å |
| 54 | R | 96.1 | Very high | 94.9 | Very high | 111 Ų | 111 | 75.7 Ų | 75.7 | 42% | 0.419 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -95 | 162.4 | 175.3 | -65.4 | -163.4 | -161.1 | -152.8 | -0.4 | 111.1 | S22 I23 E51 D52 D58 Y59 | S22-R54 CarbonylContact C-O 3.54Å; S22-R54 VanDerWaalsContact CA-O 3.28Å; S22-R54 WeakPolarHBondContact CA-O 3.42Å; I23-R54 WeakPolarHBondContact CG1-O 3.35Å; I23-R54 PolarHBondContact N-O 2.79Å; E51-R54 HydrophobicContact CB-CG 4.32Å; E51-R54 PolarHBondContact O-N 3.29Å; E51-R54 IonicContact OE1-NH2 3.1Å; E51-R54 IonicContact OE2-CZ 3.99Å; E51-R54 IonicContact OE2-NE 2.61Å; E51-R54 PolarHBondContact OE2-NE 2.6Å; E51-R54 IonicContact OE2-NH2 3.97Å; E51-R54 PolarHBondContact OE2-NH2 2.81Å; D52-R54 PolarHBondContact O-N 2.91Å; R54-D58 HydrophobicContact CB-CB 4.2Å; R54-Y59 HydrophobicContact CB-CD2 4.38Å; R54-Y59 HydrophobicContact CB-CE2 3.64Å; R54-Y59 HydrophobicContact CG-CE2 4.33Å |
| 55 | T | 96.9 | Very high | 94.9 | Very high | 34 Ų | 34 | 74.4 Ų | 74.4 | 21% | 0.209 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -93.1 | 163.8 | 175.9 | 67.3 | 0 | 0 | 0 | 0 | 111.9 | S20 D21 S57 D58 Y59 | S20-T55 WeakPolarHBondContact O-CG2 3.47Å; D21-T55 CarbonylContact O-C 3.58Å; D21-T55 VanDerWaalsContact O-CA 3.28Å; D21-T55 WeakPolarHBondContact O-CA 3.46Å; T55-S57 PolarHBondContact O-N 2.95Å; T55-S57 PolarHBondContact OG1-N 2.72Å; T55-S57 PolarHBondContact OG1-OG 2.72Å; T55-D58 PolarHBondContact N-OD2 2.78Å; T55-D58 WeakPolarHBondContact O-CB 3.39Å; T55-D58 PolarHBondContact O-N 2.88Å; T55-D58 PolarHBondContact OG1-N 2.88Å; T55-D58 PolarHBondContact OG1-OD2 2.69Å; T55-Y59 WeakPolarHBondContact O-CD2 3.49Å |
| 56 | L | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -36 | 170.6 | -70.9 | 176.7 | 0 | 0 | 0 | 112.2 | M1 I3 V17 D21 I23 V26 D58 Y59 N60 I61 | M1-L56 HydrophobicContact CE-CD1 4.2Å; I3-L56 HydrophobicContact CD1-CD1 4.49Å; V17-L56 HydrophobicContact CB-CD1 3.7Å; V17-L56 HydrophobicContact CG1-CD1 4.31Å; V17-L56 HydrophobicContact CG2-CD1 3.48Å; V17-L56 VanDerWaalsContact CG2-CD1 3.48Å; D21-L56 HydrophobicContact CB-CD1 4.25Å; D21-L56 PolarHBondContact O-N 2.79Å; I23-L56 HydrophobicContact CD1-CD2 3.82Å; I23-L56 HydrophobicContact CD1-CG 4.5Å; V26-L56 HydrophobicContact CG2-CD1 3.91Å; V26-L56 HydrophobicContact CG2-CD2 4.06Å; V26-L56 HydrophobicContact CG2-CG 4.03Å; L56-D58 VanDerWaalsContact C-N 3.35Å; L56-D58 PolarHBondContact O-N 2.74Å; L56-Y59 PolarHBondContact O-N 3.33Å; L56-N60 PolarHBondContact O-N 3.3Å; L56-I61 HydrophobicContact CB-CB 4.3Å; L56-I61 HydrophobicContact CD2-CB 4.24Å; L56-I61 HydrophobicContact CD2-CD1 3.53Å; L56-I61 HydrophobicContact CD2-CG1 4.47Å; L56-I61 HydrophobicContact CD2-CG2 4.15Å; L56-I61 PolarHBondContact O-N 3.3Å; L56-I61 VanDerWaalsContact O-N 3.13Å |
| 57 | S | 95.1 | Very high | 95 | Very high | 59 Ų | 59 | 70.9 Ų | 70.9 | 41% | 0.413 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -65.2 | -34.9 | 178.7 | 73.8 | 0 | 0 | 0 | 0 | 113 | P19 T55 Y59 N60 | P19-S57 VanDerWaalsContact O-CB 3.31Å; P19-S57 WeakPolarHBondContact O-CB 3.4Å; P19-S57 PolarHBondContact O-N 2.81Å; T55-S57 PolarHBondContact O-N 2.95Å; T55-S57 PolarHBondContact OG1-N 2.72Å; T55-S57 PolarHBondContact OG1-OG 2.72Å; S57-Y59 PolarHBondContact O-N 3.14Å; S57-Y59 VanDerWaalsContact O-N 3.13Å; S57-N60 PolarHBondContact O-N 3.4Å |
| 58 | D | 95.8 | Very high | 95.3 | Very high | 94 Ų | 94 | 71.6 Ų | 71.6 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -62.3 | -23.1 | 177.3 | -64.4 | -45.3 | 0 | 0 | 0 | 112.9 | R54 T55 L56 | R54-D58 HydrophobicContact CB-CB 4.2Å; T55-D58 PolarHBondContact N-OD2 2.78Å; T55-D58 WeakPolarHBondContact O-CB 3.39Å; T55-D58 PolarHBondContact O-N 2.88Å; T55-D58 PolarHBondContact OG1-N 2.88Å; T55-D58 PolarHBondContact OG1-OD2 2.69Å; L56-D58 VanDerWaalsContact C-N 3.35Å; L56-D58 PolarHBondContact O-N 2.74Å |
| 59 | Y | 96 | Very high | 95.3 | Very high | 36 Ų | 36 | 64.9 Ų | 64.9 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -102 | 7.9 | 177.2 | -68.4 | -75.4 | 0 | 0 | 0 | 113.6 | I23 L50 E51 R54 T55 L56 S57 I61 | I23-Y59 HydrophobicContact CD1-CD2 4.31Å; I23-Y59 HydrophobicContact CD1-CE2 4.44Å; I23-Y59 HydrophobicContact CG1-CD2 4.45Å; I23-Y59 HydrophobicContact CG1-CE2 4.11Å; L50-Y59 HydrophobicContact CB-CE2 4.24Å; L50-Y59 HydrophobicContact CD2-CD1 3.64Å; L50-Y59 HydrophobicContact CD2-CD2 3.64Å; L50-Y59 HydrophobicContact CD2-CE1 3.81Å; L50-Y59 HydrophobicContact CD2-CE2 3.77Å; L50-Y59 HydrophobicContact CD2-CG 3.54Å; E51-Y59 WeakPolarHBondContact CB-OH 3.19Å; E51-Y59 PolarHBondContact N-OH 3.03Å; R54-Y59 HydrophobicContact CB-CD2 4.38Å; R54-Y59 HydrophobicContact CB-CE2 3.64Å; R54-Y59 HydrophobicContact CG-CE2 4.33Å; T55-Y59 WeakPolarHBondContact O-CD2 3.49Å; L56-Y59 PolarHBondContact O-N 3.33Å; S57-Y59 PolarHBondContact O-N 3.14Å; S57-Y59 VanDerWaalsContact O-N 3.13Å; Y59-I61 PolarHBondContact O-N 3.17Å |
| 60 | N | 95.5 | Very high | 95.1 | Very high | 133 Ų | 133 | 63 Ų | 63 | 71% | 0.711 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 36.3 | -174.5 | -71 | -37.8 | 0 | 0 | 0 | 113.2 | L56 S57 Q62 | L56-N60 PolarHBondContact O-N 3.3Å; S57-N60 PolarHBondContact O-N 3.4Å; N60-Q62 PolarHBondContact O-N 3.32Å |
| 61 | I | 94.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 118 | 176.6 | -65 | 169.1 | 0 | 0 | 0 | 108.2 | M1 I3 F45 L50 L56 Y59 L67 | M1-I61 WeakPolarHBondContact CE-O 3.31Å; I3-I61 HydrophobicContact CG2-CG2 4.13Å; F45-I61 HydrophobicContact CB-CD1 4.28Å; F45-I61 HydrophobicContact CD1-CD1 4.16Å; F45-I61 HydrophobicContact CD1-CG1 3.57Å; F45-I61 HydrophobicContact CD2-CG1 4.36Å; F45-I61 HydrophobicContact CE1-CG1 3.72Å; F45-I61 HydrophobicContact CE2-CG1 4.49Å; F45-I61 HydrophobicContact CG-CD1 4.15Å; F45-I61 HydrophobicContact CG-CG1 3.91Å; F45-I61 HydrophobicContact CZ-CG1 4.19Å; L50-I61 HydrophobicContact CD1-CD1 3.86Å; L50-I61 HydrophobicContact CD2-CD1 4.38Å; L56-I61 HydrophobicContact CB-CB 4.3Å; L56-I61 HydrophobicContact CD2-CB 4.24Å; L56-I61 HydrophobicContact CD2-CD1 3.53Å; L56-I61 HydrophobicContact CD2-CG1 4.47Å; L56-I61 HydrophobicContact CD2-CG2 4.15Å; L56-I61 PolarHBondContact O-N 3.3Å; L56-I61 VanDerWaalsContact O-N 3.13Å; Y59-I61 PolarHBondContact O-N 3.17Å; I61-L67 HydrophobicContact CD1-CD1 4.31Å; I61-L67 HydrophobicContact CD1-CD2 4.31Å; I61-L67 HydrophobicContact CD1-CG 4.45Å; I61-L67 HydrophobicContact CG2-CD1 3.99Å |
| 62 | Q | 93.6 | Very high | 93.9 | Very high | 141 Ų | 141 | 67 Ų | 67 | 66% | 0.659 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -103.3 | 172.7 | -178.6 | -62.9 | -171.6 | -6.6 | 0 | 0 | 111.9 | N60 E64 S65 | N60-Q62 PolarHBondContact O-N 3.32Å; Q62-E64 PolarHBondContact O-N 2.65Å; Q62-S65 PolarHBondContact N-OG 3.05Å; Q62-S65 WeakPolarHBondContact O-CB 3.2Å; Q62-S65 PolarHBondContact O-N 2.77Å; Q62-S65 VanDerWaalsContact O-N 3.09Å; Q62-S65 PolarHBondContact O-OG 3.25Å |
| 63 | K | 95.4 | Very high | 92.7 | Very high | 130 Ų | 130 | 71.6 Ų | 71.6 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 138.2 | 170.7 | -164.4 | -158.6 | 169.8 | -167.8 | 0 | 110 | M1 S65 | M1-K63 HydrophobicContact CB-CB 4.18Å; M1-K63 HydrophobicContact CB-CG 4.11Å; M1-K63 HydrophobicContact SD-CB 4.5Å; M1-K63 PolarHBondContact SD-N 3.34Å; K63-S65 PolarHBondContact O-N 3.16Å |
| 64 | E | 95.1 | Very high | 91.2 | Very high | 119 Ų | 119 | 77.7 Ų | 77.7 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 8.2 | -179.4 | -57.2 | 175.5 | -164.3 | 0 | 0 | 115 | Q2 F4 Q62 | Q2-E64 PolarHBondContact O-N 3.21Å; F4-E64 HydrophobicContact CE2-CB 3.94Å; F4-E64 HydrophobicContact CE2-CG 4.14Å; Q62-E64 PolarHBondContact O-N 2.65Å |
| 65 | S | 96.6 | Very high | 89.5 | Confident | 19 Ų | 19 | 74.3 Ų | 74.3 | 13% | 0.133 | 37% | 0.373 | C | S | . | . | trans | -60.1 | 141.4 | 170.4 | -66.1 | 0 | 0 | 0 | 0 | 111.2 | F4 Q62 K63 | F4-S65 PolarHBondContact N-O 2.82Å; Q62-S65 PolarHBondContact N-OG 3.05Å; Q62-S65 WeakPolarHBondContact O-CB 3.2Å; Q62-S65 PolarHBondContact O-N 2.77Å; Q62-S65 VanDerWaalsContact O-N 3.09Å; Q62-S65 PolarHBondContact O-OG 3.25Å; K63-S65 PolarHBondContact O-N 3.16Å | ||
| 66 | T | 96.2 | Very high | 88.3 | Confident | 55 Ų | 55 | 73.2 Ų | 73.2 | 34% | 0.337 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 113.2 | 175.9 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | F4 K6 | F4-T66 HydrophobicContact CB-CG2 4.43Å; F4-T66 CarbonylContact O-C 3.6Å; F4-T66 WeakPolarHBondContact O-CA 3.44Å; K6-T66 HydrophobicContact CB-CG2 4.09Å; K6-T66 HydrophobicContact CD-CG2 4.33Å |
| 67 | L | 96.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 151.3 | 168.7 | -72.4 | 68.2 | 0 | 0 | 0 | 109.2 | I3 F4 V5 K6 L43 I44 F45 L50 I61 | I3-L67 HydrophobicContact CD1-CD1 4.08Å; I3-L67 HydrophobicContact CD1-CD2 4.41Å; F4-L67 PolarHBondContact O-N 3.43Å; V5-L67 CarbonylContact C-O 3.54Å; V5-L67 WeakPolarHBondContact CA-O 3.08Å; V5-L67 HydrophobicContact CG2-CB 4.4Å; K6-L67 PolarHBondContact N-O 3.37Å; L43-L67 HydrophobicContact CB-CD2 4.47Å; L43-L67 HydrophobicContact CD1-CD2 4.35Å; I44-L67 CarbonylContact O-C 3.57Å; I44-L67 WeakPolarHBondContact O-CA 3.39Å; F45-L67 HydrophobicContact CB-CG 4.33Å; F45-L67 HydrophobicContact CD2-CD1 4.19Å; F45-L67 HydrophobicContact CD2-CG 4.32Å; L50-L67 HydrophobicContact CD1-CD2 3.52Å; L50-L67 HydrophobicContact CD1-CG 4.22Å; I61-L67 HydrophobicContact CD1-CD1 4.31Å; I61-L67 HydrophobicContact CD1-CD2 4.31Å; I61-L67 HydrophobicContact CD1-CG 4.45Å; I61-L67 HydrophobicContact CG2-CD1 3.99Å |
| 68 | H | 96.8 | Very high | 87.7 | Confident | 91 Ų | 91 | 73.8 Ų | 73.8 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 126.2 | 173.1 | -64.9 | 72.6 | 0 | 0 | 0 | 109.2 | K6 I44 | K6-H68 CarbonylContact O-C 3.5Å; K6-H68 WeakPolarHBondContact O-CA 3.44Å; I44-H68 HydrophobicContact CB-CB 4.32Å; I44-H68 PolarHBondContact N-O 3.13Å; I44-H68 PolarHBondContact O-N 2.89Å |
| 69 | L | 94.5 | Very high | 87.7 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.1 | 175.2 | 176.8 | 61.9 | 0 | 0 | 0 | 109.7 | V5 K6 T7 I13 I30 I36 Q41 L43 L71 | V5-L69 HydrophobicContact CG1-CB 3.55Å; V5-L69 HydrophobicContact CG1-CD2 4.34Å; V5-L69 HydrophobicContact CG1-CG 4.5Å; K6-L69 PolarHBondContact O-N 3.44Å; T7-L69 HydrophobicContact CG2-CD2 4.37Å; I13-L69 HydrophobicContact CD1-CD2 4.45Å; I30-L69 HydrophobicContact CG2-CD2 4.22Å; I36-L69 HydrophobicContact CD1-CD2 4.16Å; Q41-L69 HydrophobicContact CB-CD1 3.82Å; Q41-L69 HydrophobicContact CG-CD1 3.98Å; L43-L69 HydrophobicContact CD2-CB 4.27Å; L43-L69 HydrophobicContact CD2-CD1 3.89Å; L69-L71 HydrophobicContact CD1-CD2 4.14Å; L69-L71 HydrophobicContact CD2-CD2 3.96Å; L69-L71 HydrophobicContact CG-CD2 3.91Å |
| 70 | V | 90.6 | Very high | 87.8 | Confident | 42 Ų | 42 | 70.3 Ų | 70.3 | 26% | 0.255 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.2 | 170.7 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | L8 R42 I44 | L8-V70 HydrophobicContact CD1-CG1 4.49Å; L8-V70 HydrophobicContact CD1-CG2 4.43Å; R42-V70 HydrophobicContact CB-CB 4.3Å; R42-V70 VanDerWaalsContact CB-O 3.32Å; R42-V70 WeakPolarHBondContact CB-O 3.42Å; R42-V70 PolarHBondContact N-O 2.93Å; R42-V70 PolarHBondContact O-N 2.72Å; I44-V70 HydrophobicContact CD1-CG2 3.68Å; I44-V70 HydrophobicContact CG1-CG2 4.46Å |
| 71 | L | 86.3 | Confident | 87.8 | Confident | 87 Ų | 87 | 64 Ų | 64 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 129.9 | 179.7 | -59 | 179 | 0 | 0 | 0 | 110.4 | I36 Q40 L69 | I36-L71 HydrophobicContact CD1-CD1 4.47Å; I36-L71 HydrophobicContact CD1-CD2 4.02Å; I36-L71 HydrophobicContact CG2-CD2 3.64Å; Q40-L71 CarbonylContact O-C 3.47Å; Q40-L71 WeakPolarHBondContact O-CA 3.46Å; L69-L71 HydrophobicContact CD1-CD2 4.14Å; L69-L71 HydrophobicContact CD2-CD2 3.96Å; L69-L71 HydrophobicContact CG-CD2 3.91Å |
| 72 | R | 79.1 | Confident | 87.9 | Confident | 102 Ų | 102 | 68 Ų | 68 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | trans | -84.7 | 127.1 | 170.7 | -71.5 | 179.2 | 153.4 | 142.5 | -7.9 | 109.1 | Q40 R74 | Q40-R72 PolarHBondContact O-N 3.16Å; R72-R74 VanDerWaalsContact C-N 3.3Å; R72-R74 PolarHBondContact O-N 2.63Å | ||
| 73 | L | 67.3 | Low | 87.8 | Confident | 164 Ų | 164 | 62.4 Ų | 62.4 | 86% | 0.859 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -73.1 | -20.2 | -178.8 | -65.6 | 170.2 | 0 | 0 | 0 | 113.8 | ||
| 74 | R | 61.3 | Low | 87.3 | Confident | 206 Ų | 206 | 62.9 Ų | 62.9 | 78% | 0.777 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -151.2 | 97.1 | -179.4 | -63.5 | -174.7 | -169.6 | -177.5 | 2.7 | 108.5 | R72 | R72-R74 VanDerWaalsContact C-N 3.3Å; R72-R74 PolarHBondContact O-N 2.63Å |
| 75 | G | 59.8 | Low | 86.8 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 42% | 0.423 | 32% | 0.324 | S | S | . | . | trans | -130.9 | -23.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 76 | G | 71.8 | Confident | 86.3 | Confident | 10 Ų | 10 | 64.8 Ų | 64.8 | 10% | 0.103 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -107.3 | -176.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | D39 Q78 E92 | D39-G76 WeakPolarHBondContact OD2-CA 3.1Å; D39-G76 PolarHBondContact OD2-N 3.1Å; G76-Q78 PolarHBondContact O-N 2.76Å; G76-E92 WeakPolarHBondContact CA-OE2 3.41Å; G76-E92 PolarHBondContact N-OE2 2.84Å |
| 77 | M | 87.9 | Confident | 86.2 | Confident | 31 Ų | 31 | 67 Ų | 67 | 15% | 0.153 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 117.6 | 168.8 | 167 | 171.4 | 154.9 | 0 | 0 | 108.3 | I79 V93 P95 L132 I137 K139 | M77-I79 HydrophobicContact CE-CG2 3.95Å; M77-V93 WeakPolarHBondContact CB-O 3.41Å; M77-V93 HydrophobicContact CE-CG2 4.19Å; M77-V93 HydrophobicContact CG-CG2 4.09Å; M77-V93 WeakPolarHBondContact O-CG2 3.35Å; M77-V93 PolarHBondContact O-N 3.47Å; M77-P95 HydrophobicContact SD-CG 3.93Å; M77-L132 HydrophobicContact CE-CD1 4.37Å; M77-I137 HydrophobicContact CE-CG2 4.37Å; M77-I137 WeakPolarHBondContact CE-O 3.35Å; M77-K139 HydrophobicContact CG-CB 4.01Å |
| 78 | Q | 91 | Very high | 86.1 | Confident | 41 Ų | 41 | 70.1 Ų | 70.1 | 19% | 0.192 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 140.1 | 175.6 | -70.5 | 175.4 | 8.2 | 0 | 0 | 109.8 | G76 T90 L91 E92 E140 | G76-Q78 PolarHBondContact O-N 2.76Å; Q78-T90 HydrophobicContact CB-CG2 4.21Å; Q78-T90 HydrophobicContact CG-CG2 4.23Å; Q78-L91 VanDerWaalsContact CA-O 3.27Å; Q78-L91 WeakPolarHBondContact CA-O 3.48Å; Q78-E92 VanDerWaalsContact CG-OE1 3.25Å; Q78-E92 WeakPolarHBondContact CG-OE1 3.42Å; Q78-E92 PolarHBondContact NE2-OE1 2.74Å; Q78-E140 PolarHBondContact O-N 3.07Å |
| 79 | I | 95.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 158.8 | 166.1 | 63.3 | 170.9 | 0 | 0 | 0 | 109.5 | M77 L91 V93 V102 L132 I137 L143 | M77-I79 HydrophobicContact CE-CG2 3.95Å; I79-L91 HydrophobicContact CG1-CB 4.05Å; I79-L91 PolarHBondContact N-O 3.31Å; I79-L91 PolarHBondContact O-N 3.34Å; I79-V93 HydrophobicContact CB-CG2 4.31Å; I79-V93 HydrophobicContact CD1-CG1 3.86Å; I79-V93 HydrophobicContact CD1-CG2 4.03Å; I79-V93 HydrophobicContact CG1-CG1 3.93Å; I79-V93 HydrophobicContact CG1-CG2 3.8Å; I79-V93 HydrophobicContact CG2-CG2 3.73Å; I79-V102 HydrophobicContact CD1-CG1 4.25Å; I79-L132 HydrophobicContact CD1-CD1 4.25Å; I79-I137 HydrophobicContact CG2-CG2 3.99Å; I79-L143 HydrophobicContact CD1-CD1 4.21Å; I79-L143 HydrophobicContact CD1-CD2 4.29Å |
| 80 | F | 97.1 | Very high | 85.8 | Confident | 56 Ų | 56 | 68.7 Ų | 68.7 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.9 | 177.8 | -58 | -73.5 | 0 | 0 | 0 | 110.2 | T88 I89 T90 E140 S141 T142 L143 | F80-T88 HydrophobicContact CB-CG2 3.9Å; F80-T88 HydrophobicContact CD1-CG2 4.02Å; F80-T88 HydrophobicContact CG-CG2 4.31Å; F80-I89 CarbonylContact C-O 3.59Å; F80-I89 WeakPolarHBondContact CA-O 3.28Å; F80-T90 HydrophobicContact CD1-CG2 4.31Å; F80-T90 HydrophobicContact CE1-CG2 4.02Å; F80-E140 HydrophobicContact CE2-CB 3.92Å; F80-E140 HydrophobicContact CE2-CG 3.94Å; F80-S141 PolarHBondContact N-O 2.97Å; F80-T142 CarbonylContact O-C 3.52Å; F80-T142 VanDerWaalsContact O-CA 3.3Å; F80-T142 WeakPolarHBondContact O-CA 3.21Å; F80-L143 PolarHBondContact O-N 3.43Å |
| 81 | V | 97 | Very high | 85.8 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 111.7 | 174.1 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | T88 I89 L91 I106 L119 L143 L145 | V81-T88 WeakPolarHBondContact O-CA 3.35Å; V81-I89 HydrophobicContact CB-CB 4.34Å; V81-I89 PolarHBondContact N-O 3.03Å; V81-I89 PolarHBondContact O-N 3.48Å; V81-L91 HydrophobicContact CG2-CD1 3.56Å; V81-L91 HydrophobicContact CG2-CG 4.19Å; V81-I106 HydrophobicContact CG1-CD1 4.15Å; V81-I106 HydrophobicContact CG2-CD1 4.17Å; V81-L119 HydrophobicContact CG1-CD2 4.17Å; V81-L143 CarbonylContact C-O 3.5Å; V81-L143 WeakPolarHBondContact CA-O 3.41Å; V81-L143 HydrophobicContact CG2-CB 4.37Å; V81-L145 HydrophobicContact CG1-CB 3.54Å; V81-L145 HydrophobicContact CG1-CD2 4.47Å |
| 82 | K | 96.2 | Very high | 85.9 | Confident | 90 Ų | 90 | 64.1 Ų | 64.1 | 39% | 0.391 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 127.7 | 176.5 | -102.1 | -177.8 | 177.4 | 175.6 | 0 | 111.2 | K87 T88 T142 L143 H144 L145 | K82-K87 CarbonylContact C-O 3.56Å; K82-K87 WeakPolarHBondContact CA-O 3.18Å; K82-T88 WeakPolarHBondContact CE-OG1 3.15Å; K82-T88 HydrophobicContact CG-CG2 4.31Å; K82-T88 VanDerWaalsContact CG-OG1 3.28Å; K82-T88 WeakPolarHBondContact CG-OG1 3.47Å; K82-T142 HydrophobicContact CB-CG2 4.21Å; K82-T142 HydrophobicContact CD-CG2 4.21Å; K82-T142 HydrophobicContact CG-CG2 4.31Å; K82-L143 PolarHBondContact N-O 3.29Å; K82-H144 CarbonylContact O-C 3.56Å; K82-H144 WeakPolarHBondContact O-CA 3.46Å; K82-L145 PolarHBondContact O-N 3.43Å |
| 83 | T | 91.5 | Very high | 86.5 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 163.3 | 171.4 | 71 | 0 | 0 | 0 | 0 | 110.8 | T85 G86 K87 I89 L145 | T83-T85 PolarHBondContact O-N 3.24Å; T83-T85 PolarHBondContact OG1-N 3.24Å; T83-T85 PolarHBondContact OG1-OG1 3.14Å; T83-G86 PolarHBondContact O-N 3.13Å; T83-K87 HydrophobicContact CG2-CB 4.19Å; T83-K87 PolarHBondContact N-O 3.13Å; T83-K87 WeakPolarHBondContact OG1-CB 3.45Å; T83-K87 PolarHBondContact OG1-N 3.48Å; T83-K87 VanDerWaalsContact OG1-N 3.14Å; T83-K87 PolarHBondContact OG1-O 3.15Å; T83-I89 HydrophobicContact CG2-CD1 4.04Å; T83-L145 HydrophobicContact CG2-CD2 4.44Å |
| 84 | L | 85.6 | Confident | 87.5 | Confident | 141 Ų | 141 | 53.4 Ų | 53.4 | 74% | 0.738 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -20.3 | 171.7 | -68.7 | 177.4 | 0 | 0 | 0 | 113.8 | G86 V146 | L84-G86 VanDerWaalsContact C-N 3.26Å; L84-V146 HydrophobicContact CD1-CG1 4.17Å; L84-V146 HydrophobicContact CD1-CG2 4.4Å; L84-V146 HydrophobicContact CD2-CG2 4.24Å; L84-V146 HydrophobicContact CG-CG2 4.36Å |
| 85 | T | 84.5 | Confident | 89 | Confident | 128 Ų | 128 | 46.9 Ų | 46.9 | 79% | 0.785 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -3 | 175.3 | 58.8 | 0 | 0 | 0 | 0 | 113 | T83 | T83-T85 PolarHBondContact O-N 3.24Å; T83-T85 PolarHBondContact OG1-N 3.24Å; T83-T85 PolarHBondContact OG1-OG1 3.14Å |
| 86 | G | 85.7 | Confident | 90.5 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 52% | 0.515 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 88 | -3.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | T83 L84 | T83-G86 PolarHBondContact O-N 3.13Å; L84-G86 VanDerWaalsContact C-N 3.26Å |
| 87 | K | 93.7 | Very high | 91.5 | Very high | 101 Ų | 101 | 48.5 Ų | 48.5 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | trans | -64.2 | 136.2 | 173.4 | -175.3 | 179.9 | 174.7 | -174.2 | 0 | 109.3 | K82 T83 E110 | K82-K87 CarbonylContact C-O 3.56Å; K82-K87 WeakPolarHBondContact CA-O 3.18Å; T83-K87 HydrophobicContact CG2-CB 4.19Å; T83-K87 PolarHBondContact N-O 3.13Å; T83-K87 WeakPolarHBondContact OG1-CB 3.45Å; T83-K87 PolarHBondContact OG1-N 3.48Å; T83-K87 VanDerWaalsContact OG1-N 3.14Å; T83-K87 PolarHBondContact OG1-O 3.15Å; K87-E110 WeakPolarHBondContact CE-OE1 3.13Å; K87-E110 IonicContact NZ-OE1 2.68Å; K87-E110 PolarHBondContact NZ-OE1 2.69Å; K87-E110 IonicContact NZ-OE2 3.19Å; K87-E110 PolarHBondContact NZ-OE2 3.11Å | ||
| 88 | T | 94 | Very high | 91.8 | Very high | 66 Ų | 66 | 48.6 Ų | 48.6 | 41% | 0.405 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.8 | 177.1 | -55.6 | 0 | 0 | 0 | 0 | 109.3 | F80 V81 K82 | F80-T88 HydrophobicContact CB-CG2 3.9Å; F80-T88 HydrophobicContact CD1-CG2 4.02Å; F80-T88 HydrophobicContact CG-CG2 4.31Å; V81-T88 WeakPolarHBondContact O-CA 3.35Å; K82-T88 WeakPolarHBondContact CE-OG1 3.15Å; K82-T88 HydrophobicContact CG-CG2 4.31Å; K82-T88 VanDerWaalsContact CG-OG1 3.28Å; K82-T88 WeakPolarHBondContact CG-OG1 3.47Å |
| 89 | I | 92.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.4 | 179.3 | -55.5 | 149.6 | 0 | 0 | 0 | 107.6 | F80 V81 T83 L91 K109 E110 | F80-I89 CarbonylContact C-O 3.59Å; F80-I89 WeakPolarHBondContact CA-O 3.28Å; V81-I89 HydrophobicContact CB-CB 4.34Å; V81-I89 PolarHBondContact N-O 3.03Å; V81-I89 PolarHBondContact O-N 3.48Å; T83-I89 HydrophobicContact CG2-CD1 4.04Å; I89-L91 HydrophobicContact CG2-CD2 4Å; I89-L91 HydrophobicContact CG2-CG 4.47Å; I89-K109 HydrophobicContact CG2-CD 4.17Å; I89-E110 HydrophobicContact CD1-CG 3.58Å; I89-E110 HydrophobicContact CG1-CG 4.02Å |
| 90 | T | 93.3 | Very high | 91.6 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 33% | 0.331 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 127.1 | 174.4 | -51.2 | 0 | 0 | 0 | 0 | 109.6 | Q78 F80 K109 | Q78-T90 HydrophobicContact CB-CG2 4.21Å; Q78-T90 HydrophobicContact CG-CG2 4.23Å; F80-T90 HydrophobicContact CD1-CG2 4.31Å; F80-T90 HydrophobicContact CE1-CG2 4.02Å; T90-K109 PolarHBondContact O-NZ 2.92Å |
| 91 | L | 91.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.6 | 175.9 | -59.4 | 177.8 | 0 | 0 | 0 | 110.5 | Q78 I79 V81 I89 V93 V102 K105 I106 K109 | Q78-L91 VanDerWaalsContact CA-O 3.27Å; Q78-L91 WeakPolarHBondContact CA-O 3.48Å; I79-L91 HydrophobicContact CG1-CB 4.05Å; I79-L91 PolarHBondContact N-O 3.31Å; I79-L91 PolarHBondContact O-N 3.34Å; V81-L91 HydrophobicContact CG2-CD1 3.56Å; V81-L91 HydrophobicContact CG2-CG 4.19Å; I89-L91 HydrophobicContact CG2-CD2 4Å; I89-L91 HydrophobicContact CG2-CG 4.47Å; L91-V93 HydrophobicContact CB-CG1 4.05Å; L91-V102 HydrophobicContact CD1-CG1 3.89Å; L91-K105 HydrophobicContact CD2-CB 4.32Å; L91-I106 HydrophobicContact CD1-CD1 4.12Å; L91-I106 HydrophobicContact CD1-CG1 3.56Å; L91-I106 HydrophobicContact CD2-CG1 4.39Å; L91-K109 HydrophobicContact CD2-CD 3.93Å |
| 92 | E | 88.5 | Confident | 91.2 | Very high | 31 Ų | 31 | 53 Ų | 53 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.4 | 168.3 | -63 | -78.6 | 157.1 | 0 | 0 | 107.8 | G76 Q78 K105 | G76-E92 WeakPolarHBondContact CA-OE2 3.41Å; G76-E92 PolarHBondContact N-OE2 2.84Å; Q78-E92 VanDerWaalsContact CG-OE1 3.25Å; Q78-E92 WeakPolarHBondContact CG-OE1 3.42Å; Q78-E92 PolarHBondContact NE2-OE1 2.74Å; E92-K105 PolarHBondContact O-NZ 3.24Å |
| 93 | V | 90.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 158.5 | -172.2 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | M77 I79 L91 D97 V102 K105 L132 | M77-V93 WeakPolarHBondContact CB-O 3.41Å; M77-V93 HydrophobicContact CE-CG2 4.19Å; M77-V93 HydrophobicContact CG-CG2 4.09Å; M77-V93 WeakPolarHBondContact O-CG2 3.35Å; M77-V93 PolarHBondContact O-N 3.47Å; I79-V93 HydrophobicContact CB-CG2 4.31Å; I79-V93 HydrophobicContact CD1-CG1 3.86Å; I79-V93 HydrophobicContact CD1-CG2 4.03Å; I79-V93 HydrophobicContact CG1-CG1 3.93Å; I79-V93 HydrophobicContact CG1-CG2 3.8Å; I79-V93 HydrophobicContact CG2-CG2 3.73Å; L91-V93 HydrophobicContact CB-CG1 4.05Å; V93-D97 VanDerWaalsContact CA-OD2 3.28Å; V93-D97 WeakPolarHBondContact CA-OD2 3.44Å; V93-V102 HydrophobicContact CG1-CG2 4.25Å; V93-K105 HydrophobicContact CG1-CD 4.24Å; V93-L132 HydrophobicContact CB-CD1 3.61Å; V93-L132 HydrophobicContact CG1-CD1 4.14Å; V93-L132 HydrophobicContact CG2-CD1 3.47Å; V93-L132 VanDerWaalsContact CG2-CD1 3.47Å |
| 94 | E | 89.5 | Confident | 90.9 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | trans | -104.6 | 150.9 | 168.4 | -65.8 | 179.4 | 173.3 | 0 | 0 | 110.2 | Q31 P37 S96 D97 | Q31-E94 PolarHBondContact NE2-OE1 3.41Å; Q31-E94 PolarHBondContact NE2-OE2 3.31Å; P37-E94 WeakPolarHBondContact CB-OE1 3.43Å; E94-S96 WeakPolarHBondContact CB-OG 3.24Å; E94-S96 PolarHBondContact O-N 3.42Å; E94-S96 VanDerWaalsContact O-N 3.09Å; E94-S96 PolarHBondContact OE2-OG 3.09Å; E94-D97 PolarHBondContact N-OD2 3.4Å; E94-D97 VanDerWaalsContact O-CB 3.32Å; E94-D97 WeakPolarHBondContact O-CB 3.3Å; E94-D97 PolarHBondContact O-N 3.5Å | ||
| 95 | P | 91.8 | Very high | 91.2 | Very high | 69 Ų | 69 | 45.4 Ų | 45.4 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -26.4 | 174.1 | -24.6 | 33.4 | 0 | 0 | 0 | 113.8 | M77 S133 | M77-P95 HydrophobicContact SD-CG 3.93Å; P95-S133 WeakPolarHBondContact O-CB 3.5Å; P95-S133 PolarHBondContact O-N 3.21Å; P95-S133 PolarHBondContact O-OG 3.01Å |
| 96 | S | 91.9 | Very high | 91.6 | Very high | 71 Ų | 71 | 39.3 Ų | 39.3 | 50% | 0.497 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -12.5 | 175.3 | 36 | 0 | 0 | 0 | 0 | 114.3 | E94 T98 T131 | E94-S96 WeakPolarHBondContact CB-OG 3.24Å; E94-S96 PolarHBondContact O-N 3.42Å; E94-S96 VanDerWaalsContact O-N 3.09Å; E94-S96 PolarHBondContact OE2-OG 3.09Å; S96-T98 PolarHBondContact O-N 2.85Å; S96-T131 WeakPolarHBondContact O-CG2 3.38Å |
| 97 | D | 92.3 | Very high | 91.8 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | trans | -60.2 | 130.3 | 179 | -87.3 | -34 | 0 | 0 | 0 | 110.1 | V93 E94 N101 V102 K105 T131 L132 | V93-D97 VanDerWaalsContact CA-OD2 3.28Å; V93-D97 WeakPolarHBondContact CA-OD2 3.44Å; E94-D97 PolarHBondContact N-OD2 3.4Å; E94-D97 VanDerWaalsContact O-CB 3.32Å; E94-D97 WeakPolarHBondContact O-CB 3.3Å; E94-D97 PolarHBondContact O-N 3.5Å; D97-N101 HydrophobicContact CB-CB 4.27Å; D97-N101 PolarHBondContact OD1-ND2 2.87Å; D97-V102 HydrophobicContact CB-CG2 4.25Å; D97-K105 VanDerWaalsContact OD2-CE 3.28Å; D97-K105 WeakPolarHBondContact OD2-CE 3.41Å; D97-K105 IonicContact OD2-NZ 3.34Å; D97-K105 PolarHBondContact OD2-NZ 2.71Å; D97-T131 CarbonylContact O-C 3.58Å; D97-T131 WeakPolarHBondContact O-CA 3.19Å; D97-L132 HydrophobicContact CB-CD1 4.29Å; D97-L132 HydrophobicContact CB-CG 4.45Å; D97-L132 PolarHBondContact O-N 2.91Å | ||
| 98 | T | 94.1 | Very high | 91.4 | Very high | 34 Ų | 34 | 41.7 Ų | 41.7 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -71 | 158 | 169.8 | 63 | 0 | 0 | 0 | 0 | 110.4 | S96 E100 N101 V102 R130 | S96-T98 PolarHBondContact O-N 2.85Å; T98-E100 PolarHBondContact O-N 3.14Å; T98-N101 WeakPolarHBondContact O-CB 3.29Å; T98-N101 PolarHBondContact O-N 2.89Å; T98-N101 VanDerWaalsContact O-N 3.1Å; T98-N101 PolarHBondContact OG1-N 2.94Å; T98-N101 VanDerWaalsContact OG1-N 3.11Å; T98-N101 PolarHBondContact OG1-OD1 2.94Å; T98-N101 VanDerWaalsContact OG1-OD1 3.13Å; T98-V102 WeakPolarHBondContact O-CG2 3.45Å; T98-V102 PolarHBondContact O-N 2.71Å; T98-R130 CarbonylContact C-O 3.45Å; T98-R130 VanDerWaalsContact CA-O 3.32Å; T98-R130 WeakPolarHBondContact CA-O 3.43Å |
| 99 | V | 93.3 | Very high | 91 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -32.3 | 173.8 | 172 | 0 | 0 | 0 | 0 | 110.9 | V102 K103 L119 L126 E127 D128 R130 Y135 | V99-V102 PolarHBondContact O-N 3.03Å; V99-K103 WeakPolarHBondContact O-CG 3.44Å; V99-K103 PolarHBondContact O-N 3.2Å; V99-L119 HydrophobicContact CG1-CD1 4.28Å; V99-L126 HydrophobicContact CB-CB 4.43Å; V99-L126 HydrophobicContact CG1-CB 3.8Å; V99-L126 HydrophobicContact CG2-CB 3.72Å; V99-L126 HydrophobicContact CG2-CD1 4.15Å; V99-E127 WeakPolarHBondContact CB-O 2.83Å; V99-E127 WeakPolarHBondContact CG2-O 3.25Å; V99-D128 PolarHBondContact N-O 3.43Å; V99-R130 WeakPolarHBondContact CG2-O 3.32Å; V99-R130 PolarHBondContact N-O 3.32Å; V99-Y135 HydrophobicContact CG2-CD2 4.48Å; V99-Y135 HydrophobicContact CG2-CE2 4.16Å |
| 100 | E | 89.9 | Confident | 90.9 | Very high | 115 Ų | 115 | 47 Ų | 47 | 54% | 0.537 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 171.1 | -169.5 | 170.5 | -161.7 | 0 | 0 | 112.7 | T98 V102 K103 A104 D128 | T98-E100 PolarHBondContact O-N 3.14Å; E100-V102 VanDerWaalsContact C-N 3.27Å; E100-V102 PolarHBondContact O-N 3.29Å; E100-K103 WeakPolarHBondContact O-CB 3.43Å; E100-K103 PolarHBondContact O-N 2.82Å; E100-K103 VanDerWaalsContact O-N 3.1Å; E100-A104 PolarHBondContact O-N 2.79Å; E100-D128 HydrophobicContact CB-CB 4.28Å; E100-D128 PolarHBondContact N-O 3.19Å; E100-D128 VanDerWaalsContact N-O 3.12Å |
| 101 | N | 91.2 | Very high | 90.5 | Very high | 72 Ų | 72 | 47.2 Ų | 47.2 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -57.8 | -42.1 | 173.9 | -67.8 | -0.9 | 0 | 0 | 0 | 111.3 | D97 T98 K103 A104 K105 | D97-N101 HydrophobicContact CB-CB 4.27Å; D97-N101 PolarHBondContact OD1-ND2 2.87Å; T98-N101 WeakPolarHBondContact O-CB 3.29Å; T98-N101 PolarHBondContact O-N 2.89Å; T98-N101 VanDerWaalsContact O-N 3.1Å; T98-N101 PolarHBondContact OG1-N 2.94Å; T98-N101 VanDerWaalsContact OG1-N 3.11Å; T98-N101 PolarHBondContact OG1-OD1 2.94Å; T98-N101 VanDerWaalsContact OG1-OD1 3.13Å; N101-K103 VanDerWaalsContact C-N 3.32Å; N101-K103 PolarHBondContact O-N 3.48Å; N101-A104 PolarHBondContact O-N 2.82Å; N101-K105 WeakPolarHBondContact O-CG 3.49Å; N101-K105 PolarHBondContact O-N 2.98Å |
| 102 | V | 94.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 178.1 | 177.6 | 0 | 0 | 0 | 0 | 111 | I79 L91 V93 D97 T98 V99 E100 K105 I106 L119 L132 | I79-V102 HydrophobicContact CD1-CG1 4.25Å; L91-V102 HydrophobicContact CD1-CG1 3.89Å; V93-V102 HydrophobicContact CG1-CG2 4.25Å; D97-V102 HydrophobicContact CB-CG2 4.25Å; T98-V102 WeakPolarHBondContact O-CG2 3.45Å; T98-V102 PolarHBondContact O-N 2.71Å; V99-V102 PolarHBondContact O-N 3.03Å; E100-V102 VanDerWaalsContact C-N 3.27Å; E100-V102 PolarHBondContact O-N 3.29Å; V102-K105 PolarHBondContact O-N 3.46Å; V102-I106 HydrophobicContact CG1-CD1 4.32Å; V102-I106 WeakPolarHBondContact O-CG1 3.35Å; V102-I106 PolarHBondContact O-N 3.25Å; V102-L119 HydrophobicContact CB-CD1 4.34Å; V102-L119 HydrophobicContact CG1-CD1 3.8Å; V102-L132 HydrophobicContact CG2-CD1 4.09Å; V102-L132 HydrophobicContact CG2-CD2 3.99Å; V102-L132 HydrophobicContact CG2-CG 4.13Å |
| 103 | K | 93 | Very high | 89.8 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 175.4 | -72.3 | 172.7 | 166.2 | -170.6 | 0 | 112.5 | V99 E100 N101 K105 I106 Q107 P114 Q117 L119 D128 | V99-K103 WeakPolarHBondContact O-CG 3.44Å; V99-K103 PolarHBondContact O-N 3.2Å; E100-K103 WeakPolarHBondContact O-CB 3.43Å; E100-K103 PolarHBondContact O-N 2.82Å; E100-K103 VanDerWaalsContact O-N 3.1Å; N101-K103 VanDerWaalsContact C-N 3.32Å; N101-K103 PolarHBondContact O-N 3.48Å; K103-K105 VanDerWaalsContact C-N 3.34Å; K103-K105 PolarHBondContact O-N 3.38Å; K103-I106 WeakPolarHBondContact O-CB 3.23Å; K103-I106 PolarHBondContact O-N 2.75Å; K103-I106 VanDerWaalsContact O-N 3.14Å; K103-Q107 PolarHBondContact O-N 3.16Å; K103-P114 HydrophobicContact CB-CB 3.86Å; K103-P114 HydrophobicContact CB-CG 4.35Å; K103-P114 HydrophobicContact CD-CB 4.17Å; K103-P114 WeakPolarHBondContact CD-O 3.36Å; K103-P114 PolarHBondContact NZ-O 2.73Å; K103-Q117 HydrophobicContact CD-CB 4.4Å; K103-Q117 WeakPolarHBondContact CE-O 3.18Å; K103-Q117 HydrophobicContact CG-CB 4.09Å; K103-Q117 PolarHBondContact NZ-O 2.83Å; K103-Q117 PolarHBondContact O-NE2 2.81Å; K103-Q117 PolarHBondContact O-OE1 3.34Å; K103-L119 HydrophobicContact CG-CD1 3.96Å; K103-L119 HydrophobicContact CG-CG 4.49Å; K103-D128 WeakPolarHBondContact CE-OD1 3.47Å; K103-D128 IonicContact NZ-OD1 2.6Å; K103-D128 PolarHBondContact NZ-OD1 2.74Å; K103-D128 IonicContact NZ-OD2 2.81Å; K103-D128 PolarHBondContact NZ-OD2 3.09Å |
| 104 | A | 88.1 | Confident | 89.4 | Confident | 37 Ų | 37 | 48.8 Ų | 48.8 | 31% | 0.306 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E100 N101 I106 Q107 D108 | E100-A104 PolarHBondContact O-N 2.79Å; N101-A104 PolarHBondContact O-N 2.82Å; A104-I106 VanDerWaalsContact C-N 3.25Å; A104-I106 PolarHBondContact O-N 3.31Å; A104-Q107 WeakPolarHBondContact O-CA 3.38Å; A104-Q107 VanDerWaalsContact O-CB 3.29Å; A104-Q107 WeakPolarHBondContact O-CB 3.35Å; A104-Q107 PolarHBondContact O-N 2.99Å; A104-D108 PolarHBondContact O-N 3.44Å |
| 105 | K | 92.2 | Very high | 88.8 | Confident | 52 Ų | 52 | 49 Ų | 49 | 23% | 0.226 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -31.2 | 175.3 | -66.7 | 173.4 | -167.7 | -121.7 | 0 | 113.3 | L91 E92 V93 D97 N101 V102 K103 K109 | L91-K105 HydrophobicContact CD2-CB 4.32Å; E92-K105 PolarHBondContact O-NZ 3.24Å; V93-K105 HydrophobicContact CG1-CD 4.24Å; D97-K105 VanDerWaalsContact OD2-CE 3.28Å; D97-K105 WeakPolarHBondContact OD2-CE 3.41Å; D97-K105 IonicContact OD2-NZ 3.34Å; D97-K105 PolarHBondContact OD2-NZ 2.71Å; N101-K105 WeakPolarHBondContact O-CG 3.49Å; N101-K105 PolarHBondContact O-N 2.98Å; V102-K105 PolarHBondContact O-N 3.46Å; K103-K105 VanDerWaalsContact C-N 3.34Å; K103-K105 PolarHBondContact O-N 3.38Å; K105-K109 PolarHBondContact O-N 2.96Å |
| 106 | I | 93.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.8 | -41.3 | 173 | -66.9 | 164.6 | 0 | 0 | 0 | 110.5 | V81 L91 V102 K103 A104 D108 K109 E110 Q117 L119 L145 | V81-I106 HydrophobicContact CG1-CD1 4.15Å; V81-I106 HydrophobicContact CG2-CD1 4.17Å; L91-I106 HydrophobicContact CD1-CD1 4.12Å; L91-I106 HydrophobicContact CD1-CG1 3.56Å; L91-I106 HydrophobicContact CD2-CG1 4.39Å; V102-I106 HydrophobicContact CG1-CD1 4.32Å; V102-I106 WeakPolarHBondContact O-CG1 3.35Å; V102-I106 PolarHBondContact O-N 3.25Å; K103-I106 WeakPolarHBondContact O-CB 3.23Å; K103-I106 PolarHBondContact O-N 2.75Å; K103-I106 VanDerWaalsContact O-N 3.14Å; A104-I106 VanDerWaalsContact C-N 3.25Å; A104-I106 PolarHBondContact O-N 3.31Å; I106-D108 VanDerWaalsContact C-N 3.33Å; I106-D108 PolarHBondContact O-N 2.68Å; I106-K109 PolarHBondContact O-N 2.86Å; I106-E110 WeakPolarHBondContact O-CB 3.31Å; I106-E110 PolarHBondContact O-N 3.45Å; I106-Q117 VanDerWaalsContact CD1-OE1 3.29Å; I106-L119 HydrophobicContact CD1-CD1 4.04Å; I106-L119 HydrophobicContact CD1-CD2 3.68Å; I106-L119 HydrophobicContact CD1-CG 4.37Å; I106-L145 HydrophobicContact CG2-CD2 4.11Å |
| 107 | Q | 88.8 | Confident | 88.3 | Confident | 67 Ų | 67 | 44.4 Ų | 44.4 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.9 | -46.1 | 174.8 | -176.9 | -176.2 | 12.6 | 0 | 0 | 110.8 | K103 A104 K109 G111 I112 P114 | K103-Q107 PolarHBondContact O-N 3.16Å; A104-Q107 WeakPolarHBondContact O-CA 3.38Å; A104-Q107 VanDerWaalsContact O-CB 3.29Å; A104-Q107 WeakPolarHBondContact O-CB 3.35Å; A104-Q107 PolarHBondContact O-N 2.99Å; Q107-K109 VanDerWaalsContact C-N 3.25Å; Q107-K109 PolarHBondContact O-N 2.99Å; Q107-G111 WeakPolarHBondContact O-CA 3.25Å; Q107-G111 PolarHBondContact O-N 2.88Å; Q107-I112 VanDerWaalsContact CA-O 3.29Å; Q107-I112 WeakPolarHBondContact CA-O 3.28Å; Q107-I112 VanDerWaalsContact CB-O 3.24Å; Q107-I112 WeakPolarHBondContact CB-O 3.41Å; Q107-P114 VanDerWaalsContact OE1-CD 3.24Å |
| 108 | D | 84.4 | Confident | 88.2 | Confident | 133 Ų | 133 | 48.5 Ų | 48.5 | 71% | 0.711 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -60.5 | -35.1 | 179 | -66.1 | -24 | 0 | 0 | 0 | 112.5 | A104 I106 | A104-D108 PolarHBondContact O-N 3.44Å; I106-D108 VanDerWaalsContact C-N 3.33Å; I106-D108 PolarHBondContact O-N 2.68Å |
| 109 | K | 87.2 | Confident | 88.2 | Confident | 122 Ų | 122 | 47 Ų | 47 | 53% | 0.53 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -86.9 | -35.8 | -178.8 | -75.5 | -157.2 | 179.1 | -167.9 | 0 | 114.8 | I89 T90 L91 K105 I106 Q107 | I89-K109 HydrophobicContact CG2-CD 4.17Å; T90-K109 PolarHBondContact O-NZ 2.92Å; L91-K109 HydrophobicContact CD2-CD 3.93Å; K105-K109 PolarHBondContact O-N 2.96Å; I106-K109 PolarHBondContact O-N 2.86Å; Q107-K109 VanDerWaalsContact C-N 3.25Å; Q107-K109 PolarHBondContact O-N 2.99Å |
| 110 | E | 89.7 | Confident | 88.4 | Confident | 63 Ų | 63 | 48.8 Ų | 48.8 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -120.6 | -5.3 | -168.2 | -64 | -71.6 | 143.4 | 0 | 0 | 113.2 | K87 I89 I106 I112 | K87-E110 WeakPolarHBondContact CE-OE1 3.13Å; K87-E110 IonicContact NZ-OE1 2.68Å; K87-E110 PolarHBondContact NZ-OE1 2.69Å; K87-E110 IonicContact NZ-OE2 3.19Å; K87-E110 PolarHBondContact NZ-OE2 3.11Å; I89-E110 HydrophobicContact CD1-CG 3.58Å; I89-E110 HydrophobicContact CG1-CG 4.02Å; I106-E110 WeakPolarHBondContact O-CB 3.31Å; I106-E110 PolarHBondContact O-N 3.45Å; E110-I112 HydrophobicContact CB-CD1 3.87Å; E110-I112 HydrophobicContact CB-CG1 3.9Å; E110-I112 PolarHBondContact O-N 3.17Å |
| 111 | G | 84.1 | Confident | 88.7 | Confident | 60 Ų | 60 | 45.3 Ų | 45.3 | 62% | 0.619 | 24% | 0.24 | S | C | * | . | trans | 70.5 | 14.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q107 P113 | Q107-G111 WeakPolarHBondContact O-CA 3.25Å; Q107-G111 PolarHBondContact O-N 2.88Å; G111-P113 WeakPolarHBondContact O-CD 2.88Å | ||
| 112 | I | 83.8 | Confident | 88.8 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 13% | 0.133 | 26% | 0.259 | C | S | . | . | trans | -90.6 | 118.1 | -175.6 | -55.4 | 174.6 | 0 | 0 | 0 | 109.4 | Q107 E110 Q116 Q117 L145 L147 | Q107-I112 VanDerWaalsContact CA-O 3.29Å; Q107-I112 WeakPolarHBondContact CA-O 3.28Å; Q107-I112 VanDerWaalsContact CB-O 3.24Å; Q107-I112 WeakPolarHBondContact CB-O 3.41Å; E110-I112 HydrophobicContact CB-CD1 3.87Å; E110-I112 HydrophobicContact CB-CG1 3.9Å; E110-I112 PolarHBondContact O-N 3.17Å; I112-Q116 HydrophobicContact CG2-CB 4.31Å; I112-Q117 HydrophobicContact CB-CG 4.46Å; I112-Q117 HydrophobicContact CG2-CG 3.75Å; I112-Q117 PolarHBondContact O-NE2 2.9Å; I112-L145 HydrophobicContact CD1-CD2 4.04Å; I112-L147 HydrophobicContact CD1-CD2 4.05Å; I112-L147 HydrophobicContact CG2-CD2 3.61Å | ||
| 113 | P | 80.9 | Confident | 88.5 | Confident | 29 Ų | 29 | 50 Ų | 50 | 19% | 0.188 | 30% | 0.296 | C | S | . | . | trans | -60.9 | 140.5 | -179.8 | -26.5 | 36.7 | 0 | 0 | 0 | 113.9 | G111 D115 Q116 Q117 | G111-P113 WeakPolarHBondContact O-CD 2.88Å; P113-D115 VanDerWaalsContact C-N 3.27Å; P113-D115 VanDerWaalsContact CB-OD1 3.27Å; P113-D115 WeakPolarHBondContact CB-OD1 3.03Å; P113-D115 PolarHBondContact O-N 3.46Å; P113-Q116 HydrophobicContact CB-CG 4.36Å; P113-Q116 WeakPolarHBondContact O-CB 3.36Å; P113-Q116 PolarHBondContact O-N 3Å; P113-Q116 VanDerWaalsContact O-N 3.08Å; P113-Q117 WeakPolarHBondContact O-CG 3.49Å; P113-Q117 PolarHBondContact O-N 2.79Å | ||
| 114 | P | 84.2 | Confident | 88.5 | Confident | 16 Ų | 16 | 55 Ų | 55 | 10% | 0.104 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -33.3 | -177.1 | -31.4 | 37.1 | 0 | 0 | 0 | 116 | K103 Q107 Q117 E170 | K103-P114 HydrophobicContact CB-CB 3.86Å; K103-P114 HydrophobicContact CB-CG 4.35Å; K103-P114 HydrophobicContact CD-CB 4.17Å; K103-P114 WeakPolarHBondContact CD-O 3.36Å; K103-P114 PolarHBondContact NZ-O 2.73Å; Q107-P114 VanDerWaalsContact OE1-CD 3.24Å; P114-Q117 WeakPolarHBondContact O-CB 2.97Å; P114-Q117 PolarHBondContact O-N 3.23Å; P114-Q117 VanDerWaalsContact O-N 3.16Å; P114-E170 WeakPolarHBondContact CD-OE1 3.44Å |
| 115 | D | 75.8 | Confident | 88.7 | Confident | 42 Ų | 42 | 56.7 Ų | 56.7 | 23% | 0.225 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -31.5 | 178.8 | 60.6 | -3 | 0 | 0 | 0 | 113.4 | P113 Q117 G152 | P113-D115 VanDerWaalsContact C-N 3.27Å; P113-D115 VanDerWaalsContact CB-OD1 3.27Å; P113-D115 WeakPolarHBondContact CB-OD1 3.03Å; P113-D115 PolarHBondContact O-N 3.46Å; D115-Q117 PolarHBondContact O-N 3.44Å; D115-G152 WeakPolarHBondContact OD2-CA 3.29Å |
| 116 | Q | 83.2 | Confident | 88.7 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 20% | 0.201 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -18.1 | 171.5 | -61.8 | -169.7 | -2.9 | 0 | 0 | 112.1 | I112 P113 L147 R148 E168 | I112-Q116 HydrophobicContact CG2-CB 4.31Å; P113-Q116 HydrophobicContact CB-CG 4.36Å; P113-Q116 WeakPolarHBondContact O-CB 3.36Å; P113-Q116 PolarHBondContact O-N 3Å; P113-Q116 VanDerWaalsContact O-N 3.08Å; Q116-L147 CarbonylContact O-C 3.49Å; Q116-L147 WeakPolarHBondContact O-CA 3.45Å; Q116-R148 PolarHBondContact O-N 3.2Å; Q116-E168 PolarHBondContact NE2-OE2 2.91Å |
| 117 | Q | 89.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 127.3 | -176.8 | -59.8 | 178.2 | 36.1 | 0 | 0 | 112 | K103 I106 I112 P113 P114 D115 L145 R148 | K103-Q117 HydrophobicContact CD-CB 4.4Å; K103-Q117 WeakPolarHBondContact CE-O 3.18Å; K103-Q117 HydrophobicContact CG-CB 4.09Å; K103-Q117 PolarHBondContact NZ-O 2.83Å; K103-Q117 PolarHBondContact O-NE2 2.81Å; K103-Q117 PolarHBondContact O-OE1 3.34Å; I106-Q117 VanDerWaalsContact CD1-OE1 3.29Å; I112-Q117 HydrophobicContact CB-CG 4.46Å; I112-Q117 HydrophobicContact CG2-CG 3.75Å; I112-Q117 PolarHBondContact O-NE2 2.9Å; P113-Q117 WeakPolarHBondContact O-CG 3.49Å; P113-Q117 PolarHBondContact O-N 2.79Å; P114-Q117 WeakPolarHBondContact O-CB 2.97Å; P114-Q117 PolarHBondContact O-N 3.23Å; P114-Q117 VanDerWaalsContact O-N 3.16Å; D115-Q117 PolarHBondContact O-N 3.44Å; Q117-L145 HydrophobicContact CB-CD1 3.74Å; Q117-L145 HydrophobicContact CG-CD1 3.91Å; Q117-R148 PolarHBondContact O-NH1 3.37Å |
| 118 | R | 90.8 | Very high | 88.4 | Confident | 98 Ų | 98 | 58.9 Ų | 58.9 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 109.2 | 165.8 | -170.3 | 178.8 | -167.9 | -168.8 | 1.9 | 108.8 | I120 Q125 V146 R148 | R118-I120 HydrophobicContact CG-CG1 4.49Å; R118-Q125 HydrophobicContact CG-CG 3.95Å; R118-Q125 VanDerWaalsContact NE-CD 3.31Å; R118-V146 HydrophobicContact CB-CB 4.28Å; R118-V146 VanDerWaalsContact CB-O 3.26Å; R118-V146 WeakPolarHBondContact CB-O 3.33Å; R118-V146 PolarHBondContact N-O 3.18Å; R118-V146 PolarHBondContact O-N 3.03Å; R118-R148 HydrophobicContact CB-CG 4.44Å |
| 119 | L | 94.9 | Very high | 88.4 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 132.9 | 176.7 | -64.6 | 178.2 | 0 | 0 | 0 | 110.6 | V81 V99 V102 K103 I106 L126 L143 H144 L145 | V81-L119 HydrophobicContact CG1-CD2 4.17Å; V99-L119 HydrophobicContact CG1-CD1 4.28Å; V102-L119 HydrophobicContact CB-CD1 4.34Å; V102-L119 HydrophobicContact CG1-CD1 3.8Å; K103-L119 HydrophobicContact CG-CD1 3.96Å; K103-L119 HydrophobicContact CG-CG 4.49Å; I106-L119 HydrophobicContact CD1-CD1 4.04Å; I106-L119 HydrophobicContact CD1-CD2 3.68Å; I106-L119 HydrophobicContact CD1-CG 4.37Å; L119-L126 HydrophobicContact CB-CB 4.36Å; L119-L126 HydrophobicContact CB-CD1 4.04Å; L119-L126 HydrophobicContact CB-CG 4.36Å; L119-L126 PolarHBondContact O-N 3.39Å; L119-L143 HydrophobicContact CB-CD2 4.43Å; L119-L143 HydrophobicContact CD1-CD2 4.33Å; L119-H144 WeakPolarHBondContact CA-O 3.48Å; L119-L145 HydrophobicContact CD2-CB 4.28Å; L119-L145 HydrophobicContact CD2-CD1 3.97Å |
| 120 | I | 95.8 | Very high | 88.6 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 21% | 0.205 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.9 | -179.1 | -56 | 173.8 | 0 | 0 | 0 | 108.5 | R118 K124 L143 H144 V146 | R118-I120 HydrophobicContact CG-CG1 4.49Å; I120-K124 CarbonylContact C-O 3.59Å; I120-K124 WeakPolarHBondContact CA-O 3.39Å; I120-K124 WeakPolarHBondContact CG2-O 3.38Å; I120-L143 CarbonylContact O-C 3.57Å; I120-L143 WeakPolarHBondContact O-CA 3.4Å; I120-H144 HydrophobicContact CB-CB 4.36Å; I120-H144 PolarHBondContact N-O 2.97Å; I120-H144 PolarHBondContact O-N 3.2Å; I120-V146 HydrophobicContact CD1-CG2 3.81Å |
| 121 | F | 97 | Very high | 88.9 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 18% | 0.184 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 133.1 | 173.5 | -177.7 | -115.4 | 0 | 0 | 0 | 109.5 | G123 K124 L126 I137 L143 | F121-G123 PolarHBondContact O-N 3.33Å; F121-G123 VanDerWaalsContact O-N 3.11Å; F121-K124 PolarHBondContact N-O 2.97Å; F121-K124 PolarHBondContact O-N 3.44Å; F121-K124 VanDerWaalsContact O-O 3.14Å; F121-L126 HydrophobicContact CB-CD1 4.28Å; F121-L126 HydrophobicContact CB-CD2 3.89Å; F121-L126 HydrophobicContact CB-CG 4.32Å; F121-I137 HydrophobicContact CB-CD1 4.22Å; F121-I137 HydrophobicContact CB-CG1 4.45Å; F121-I137 HydrophobicContact CD1-CD1 4.05Å; F121-I137 HydrophobicContact CD1-CG1 3.43Å; F121-I137 VanDerWaalsContact CD1-CG1 3.43Å; F121-I137 HydrophobicContact CD2-CG1 4.22Å; F121-I137 HydrophobicContact CE1-CB 4.47Å; F121-I137 HydrophobicContact CE1-CG1 3.55Å; F121-I137 HydrophobicContact CE2-CG1 4.34Å; F121-I137 HydrophobicContact CG-CD1 4.07Å; F121-I137 HydrophobicContact CG-CG1 3.77Å; F121-I137 HydrophobicContact CZ-CG1 4.02Å; F121-L143 HydrophobicContact CB-CG 4.26Å; F121-L143 HydrophobicContact CD2-CD1 3.96Å; F121-L143 HydrophobicContact CD2-CG 4.38Å |
| 122 | A | 92.8 | Very high | 89.5 | Confident | 94 Ų | 94 | 51 Ų | 51 | 78% | 0.777 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 40.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K124 | A122-K124 PolarHBondContact O-N 2.91Š|
| 123 | G | 89 | Confident | 90 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 79% | 0.794 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | -4.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | F121 | F121-G123 PolarHBondContact O-N 3.33Å; F121-G123 VanDerWaalsContact O-N 3.11Å |
| 124 | K | 92.5 | Very high | 90.6 | Very high | 111 Ų | 111 | 56 Ų | 56 | 48% | 0.483 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.9 | 177.7 | -167.5 | 178.8 | 176.1 | -174.5 | 0 | 110.7 | I120 F121 A122 Y135 | I120-K124 CarbonylContact C-O 3.59Å; I120-K124 WeakPolarHBondContact CA-O 3.39Å; I120-K124 WeakPolarHBondContact CG2-O 3.38Å; F121-K124 PolarHBondContact N-O 2.97Å; F121-K124 PolarHBondContact O-N 3.44Å; F121-K124 VanDerWaalsContact O-O 3.14Å; A122-K124 PolarHBondContact O-N 2.91Å; K124-Y135 HydrophobicContact CD-CE1 4.12Å |
| 125 | Q | 91.8 | Very high | 91.2 | Very high | 73 Ų | 73 | 56.7 Ų | 56.7 | 34% | 0.341 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 134.3 | 169.7 | -178 | -171.2 | -32.1 | 0 | 0 | 109.6 | R118 | R118-Q125 HydrophobicContact CG-CG 3.95Å; R118-Q125 VanDerWaalsContact NE-CD 3.31Å |
| 126 | L | 93.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 146.2 | 176 | -54.5 | -173.9 | 0 | 0 | 0 | 111.5 | V99 L119 F121 Y135 I137 L143 | V99-L126 HydrophobicContact CB-CB 4.43Å; V99-L126 HydrophobicContact CG1-CB 3.8Å; V99-L126 HydrophobicContact CG2-CB 3.72Å; V99-L126 HydrophobicContact CG2-CD1 4.15Å; L119-L126 HydrophobicContact CB-CB 4.36Å; L119-L126 HydrophobicContact CB-CD1 4.04Å; L119-L126 HydrophobicContact CB-CG 4.36Å; L119-L126 PolarHBondContact O-N 3.39Å; F121-L126 HydrophobicContact CB-CD1 4.28Å; F121-L126 HydrophobicContact CB-CD2 3.89Å; F121-L126 HydrophobicContact CB-CG 4.32Å; L126-Y135 HydrophobicContact CB-CE2 4.29Å; L126-Y135 HydrophobicContact CD2-CD1 3.59Å; L126-Y135 HydrophobicContact CD2-CD2 3.69Å; L126-Y135 HydrophobicContact CD2-CE1 3.74Å; L126-Y135 HydrophobicContact CD2-CE2 3.82Å; L126-Y135 HydrophobicContact CD2-CG 3.57Å; L126-I137 HydrophobicContact CD1-CD1 3.79Å; L126-I137 HydrophobicContact CD2-CD1 4.32Å; L126-L143 HydrophobicContact CD1-CD2 3.59Å; L126-L143 HydrophobicContact CD1-CG 4.24Å |
| 127 | E | 88.8 | Confident | 92.7 | Very high | 96 Ų | 96 | 58.2 Ų | 58.2 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | trans | -104.3 | 132.7 | -179.9 | -66.3 | 166.1 | -170.2 | 0 | 0 | 109.9 | V99 G129 R130 Y135 | V99-E127 WeakPolarHBondContact CB-O 2.83Å; V99-E127 WeakPolarHBondContact CG2-O 3.25Å; E127-G129 VanDerWaalsContact C-N 3.33Å; E127-G129 PolarHBondContact O-N 3.23Å; E127-R130 HydrophobicContact CB-CG 4.46Å; E127-R130 PolarHBondContact O-N 3.1Å; E127-R130 VanDerWaalsContact O-N 3.14Å; E127-R130 IonicContact OE2-CZ 2.85Å; E127-R130 IonicContact OE2-NE 3.1Å; E127-R130 PolarHBondContact OE2-NE 2.89Å; E127-R130 IonicContact OE2-NH2 2.7Å; E127-Y135 WeakPolarHBondContact CB-OH 3.45Å; E127-Y135 WeakPolarHBondContact CG-OH 3.45Å; E127-Y135 PolarHBondContact N-OH 3.09Å | ||
| 128 | D | 85.8 | Confident | 92.9 | Very high | 67 Ų | 67 | 63.9 Ų | 63.9 | 36% | 0.358 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -40.1 | -167.9 | -69.1 | -0.3 | 0 | 0 | 0 | 114.1 | V99 E100 K103 R130 | V99-D128 PolarHBondContact N-O 3.43Å; E100-D128 HydrophobicContact CB-CB 4.28Å; E100-D128 PolarHBondContact N-O 3.19Å; E100-D128 VanDerWaalsContact N-O 3.12Å; K103-D128 WeakPolarHBondContact CE-OD1 3.47Å; K103-D128 IonicContact NZ-OD1 2.6Å; K103-D128 PolarHBondContact NZ-OD1 2.74Å; K103-D128 IonicContact NZ-OD2 2.81Å; K103-D128 PolarHBondContact NZ-OD2 3.09Å; D128-R130 VanDerWaalsContact C-N 3.35Å; D128-R130 PolarHBondContact O-N 2.88Å |
| 129 | G | 85.5 | Confident | 93 | Very high | 71 Ų | 71 | 65.4 Ų | 65.4 | 73% | 0.732 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 1.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | E127 | E127-G129 VanDerWaalsContact C-N 3.33Å; E127-G129 PolarHBondContact O-N 3.23Å |
| 130 | R | 91.7 | Very high | 92.9 | Very high | 112 Ų | 112 | 71.1 Ų | 71.1 | 42% | 0.423 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -100.5 | 153.2 | 177.6 | -71.9 | -159.7 | -166.5 | -123 | -2.6 | 111.4 | T98 V99 E127 D128 D134 Y135 | T98-R130 CarbonylContact C-O 3.45Å; T98-R130 VanDerWaalsContact CA-O 3.32Å; T98-R130 WeakPolarHBondContact CA-O 3.43Å; V99-R130 WeakPolarHBondContact CG2-O 3.32Å; V99-R130 PolarHBondContact N-O 3.32Å; E127-R130 HydrophobicContact CB-CG 4.46Å; E127-R130 PolarHBondContact O-N 3.1Å; E127-R130 VanDerWaalsContact O-N 3.14Å; E127-R130 IonicContact OE2-CZ 2.85Å; E127-R130 IonicContact OE2-NE 3.1Å; E127-R130 PolarHBondContact OE2-NE 2.89Å; E127-R130 IonicContact OE2-NH2 2.7Å; D128-R130 VanDerWaalsContact C-N 3.35Å; D128-R130 PolarHBondContact O-N 2.88Å; R130-D134 HydrophobicContact CB-CB 4.22Å; R130-Y135 HydrophobicContact CB-CD2 4.29Å; R130-Y135 HydrophobicContact CB-CE2 3.54Å; R130-Y135 HydrophobicContact CG-CE2 4.32Å |
| 131 | T | 95.6 | Very high | 92.9 | Very high | 29 Ų | 29 | 70.2 Ų | 70.2 | 18% | 0.178 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -85.3 | 167.5 | 179.8 | 67 | 0 | 0 | 0 | 0 | 112.7 | S96 D97 S133 D134 Y135 | S96-T131 WeakPolarHBondContact O-CG2 3.38Å; D97-T131 CarbonylContact O-C 3.58Å; D97-T131 WeakPolarHBondContact O-CA 3.19Å; T131-S133 VanDerWaalsContact C-N 3.28Å; T131-S133 PolarHBondContact O-N 3.36Å; T131-S133 PolarHBondContact OG1-N 2.84Å; T131-S133 PolarHBondContact OG1-OG 3.35Å; T131-D134 PolarHBondContact N-OD2 2.77Å; T131-D134 WeakPolarHBondContact O-CB 3.42Å; T131-D134 PolarHBondContact O-N 2.72Å; T131-D134 VanDerWaalsContact OG1-CG 3.22Å; T131-D134 PolarHBondContact OG1-N 2.93Å; T131-D134 VanDerWaalsContact OG1-N 3.13Å; T131-D134 PolarHBondContact OG1-OD2 3.39Å; T131-Y135 WeakPolarHBondContact O-CD2 3.26Å |
| 132 | L | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -38.3 | 169.8 | -68.8 | -175.4 | 0 | 0 | 0 | 112.2 | M77 I79 V93 D97 V102 Y135 N136 I137 | M77-L132 HydrophobicContact CE-CD1 4.37Å; I79-L132 HydrophobicContact CD1-CD1 4.25Å; V93-L132 HydrophobicContact CB-CD1 3.61Å; V93-L132 HydrophobicContact CG1-CD1 4.14Å; 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 4.45Å; D97-L132 PolarHBondContact O-N 2.91Å; V102-L132 HydrophobicContact CG2-CD1 4.09Å; V102-L132 HydrophobicContact CG2-CD2 3.99Å; V102-L132 HydrophobicContact CG2-CG 4.13Å; L132-Y135 PolarHBondContact O-N 2.86Å; L132-N136 PolarHBondContact O-N 3.13Å; L132-I137 HydrophobicContact CB-CB 4.25Å; L132-I137 HydrophobicContact CD2-CB 4.23Å; L132-I137 HydrophobicContact CD2-CD1 3.59Å; L132-I137 HydrophobicContact CD2-CG2 4.14Å; L132-I137 WeakPolarHBondContact O-CB 3.39Å; L132-I137 PolarHBondContact O-N 3.07Å |
| 133 | S | 94.3 | Very high | 93.1 | Very high | 65 Ų | 65 | 66.5 Ų | 66.5 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -64.8 | -35.4 | 176.8 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | P95 T131 Y135 N136 | P95-S133 WeakPolarHBondContact O-CB 3.5Å; P95-S133 PolarHBondContact O-N 3.21Å; P95-S133 PolarHBondContact O-OG 3.01Å; T131-S133 VanDerWaalsContact C-N 3.28Å; T131-S133 PolarHBondContact O-N 3.36Å; T131-S133 PolarHBondContact OG1-N 2.84Å; T131-S133 PolarHBondContact OG1-OG 3.35Å; S133-Y135 PolarHBondContact O-N 3.39Å; S133-N136 PolarHBondContact O-N 3.08Å |
| 134 | D | 95 | Very high | 93.5 | Very high | 96 Ų | 96 | 67.3 Ų | 67.3 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -59.6 | -30.3 | 176 | -71.2 | -27.3 | 0 | 0 | 0 | 112.8 | R130 T131 | R130-D134 HydrophobicContact CB-CB 4.22Å; T131-D134 PolarHBondContact N-OD2 2.77Å; T131-D134 WeakPolarHBondContact O-CB 3.42Å; T131-D134 PolarHBondContact O-N 2.72Å; T131-D134 VanDerWaalsContact OG1-CG 3.22Å; T131-D134 PolarHBondContact OG1-N 2.93Å; T131-D134 VanDerWaalsContact OG1-N 3.13Å; T131-D134 PolarHBondContact OG1-OD2 3.39Å |
| 135 | Y | 95.5 | Very high | 93.6 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 11% | 0.114 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -95.7 | 4.2 | 176.5 | -70.9 | -76.1 | 0 | 0 | 0 | 113.5 | V99 K124 L126 E127 R130 T131 L132 S133 I137 | V99-Y135 HydrophobicContact CG2-CD2 4.48Å; V99-Y135 HydrophobicContact CG2-CE2 4.16Å; K124-Y135 HydrophobicContact CD-CE1 4.12Å; L126-Y135 HydrophobicContact CB-CE2 4.29Å; L126-Y135 HydrophobicContact CD2-CD1 3.59Å; L126-Y135 HydrophobicContact CD2-CD2 3.69Å; L126-Y135 HydrophobicContact CD2-CE1 3.74Å; L126-Y135 HydrophobicContact CD2-CE2 3.82Å; L126-Y135 HydrophobicContact CD2-CG 3.57Å; E127-Y135 WeakPolarHBondContact CB-OH 3.45Å; E127-Y135 WeakPolarHBondContact CG-OH 3.45Å; E127-Y135 PolarHBondContact N-OH 3.09Å; R130-Y135 HydrophobicContact CB-CD2 4.29Å; R130-Y135 HydrophobicContact CB-CE2 3.54Å; R130-Y135 HydrophobicContact CG-CE2 4.32Å; T131-Y135 WeakPolarHBondContact O-CD2 3.26Å; L132-Y135 PolarHBondContact O-N 2.86Å; S133-Y135 PolarHBondContact O-N 3.39Å; Y135-I137 PolarHBondContact O-N 3.09Å |
| 136 | N | 95.4 | Very high | 93.6 | Very high | 113 Ų | 113 | 60.4 Ų | 60.4 | 60% | 0.604 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 36.8 | -174.1 | -160.5 | 23.2 | 0 | 0 | 0 | 112.3 | L132 S133 Q138 | L132-N136 PolarHBondContact O-N 3.13Å; S133-N136 PolarHBondContact O-N 3.08Å; N136-Q138 PolarHBondContact O-N 3.32Å; N136-Q138 PolarHBondContact OD1-NE2 2.95Å |
| 137 | I | 95 | Very high | 93.2 | Very high | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | trans | -74.3 | 118.6 | 173.5 | -67.4 | 166.1 | 0 | 0 | 0 | 106.7 | M77 I79 F121 L126 L132 Y135 L143 | M77-I137 HydrophobicContact CE-CG2 4.37Å; M77-I137 WeakPolarHBondContact CE-O 3.35Å; I79-I137 HydrophobicContact CG2-CG2 3.99Å; F121-I137 HydrophobicContact CB-CD1 4.22Å; F121-I137 HydrophobicContact CB-CG1 4.45Å; F121-I137 HydrophobicContact CD1-CD1 4.05Å; F121-I137 HydrophobicContact CD1-CG1 3.43Å; F121-I137 VanDerWaalsContact CD1-CG1 3.43Å; F121-I137 HydrophobicContact CD2-CG1 4.22Å; F121-I137 HydrophobicContact CE1-CB 4.47Å; F121-I137 HydrophobicContact CE1-CG1 3.55Å; F121-I137 HydrophobicContact CE2-CG1 4.34Å; F121-I137 HydrophobicContact CG-CD1 4.07Å; F121-I137 HydrophobicContact CG-CG1 3.77Å; F121-I137 HydrophobicContact CZ-CG1 4.02Å; L126-I137 HydrophobicContact CD1-CD1 3.79Å; L126-I137 HydrophobicContact CD2-CD1 4.32Å; L132-I137 HydrophobicContact CB-CB 4.25Å; L132-I137 HydrophobicContact CD2-CB 4.23Å; L132-I137 HydrophobicContact CD2-CD1 3.59Å; L132-I137 HydrophobicContact CD2-CG2 4.14Å; L132-I137 WeakPolarHBondContact O-CB 3.39Å; L132-I137 PolarHBondContact O-N 3.07Å; Y135-I137 PolarHBondContact O-N 3.09Å; I137-L143 HydrophobicContact CD1-CD1 4.22Å; I137-L143 HydrophobicContact CD1-CD2 4.41Å; I137-L143 HydrophobicContact CG2-CD1 3.98Å | ||
| 138 | Q | 93.4 | Very high | 92.6 | Very high | 119 Ų | 119 | 63.6 Ų | 63.6 | 56% | 0.556 | 33% | 0.334 | S | S | * | . | trans | -105.5 | 171.3 | -178.5 | -58.8 | -153.8 | -10 | 0 | 0 | 111.8 | N136 E140 S141 | N136-Q138 PolarHBondContact O-N 3.32Å; N136-Q138 PolarHBondContact OD1-NE2 2.95Å; Q138-E140 PolarHBondContact O-N 3.19Å; Q138-S141 PolarHBondContact N-OG 3.23Å; Q138-S141 WeakPolarHBondContact O-CB 3.2Å; Q138-S141 PolarHBondContact O-N 3.31Å; Q138-S141 PolarHBondContact O-OG 2.96Å | ||
| 139 | K | 93.1 | Very high | 91.3 | Very high | 129 Ų | 129 | 68.3 Ų | 68.3 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 138.6 | 172.2 | -177.3 | 174 | 176.1 | 178.8 | 0 | 110.6 | M77 S141 | M77-K139 HydrophobicContact CG-CB 4.01Å; K139-S141 PolarHBondContact O-N 3.32Å |
| 140 | E | 93.6 | Very high | 89.8 | Confident | 123 Ų | 123 | 75.6 Ų | 75.6 | 58% | 0.575 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 10.1 | -177.1 | -66.1 | 165.9 | -161.8 | 0 | 0 | 115.4 | Q78 F80 Q138 | Q78-E140 PolarHBondContact O-N 3.07Å; F80-E140 HydrophobicContact CE2-CB 3.92Å; F80-E140 HydrophobicContact CE2-CG 3.94Å; Q138-E140 PolarHBondContact O-N 3.19Å |
| 141 | S | 96.6 | Very high | 88.2 | Confident | 20 Ų | 20 | 72.1 Ų | 72.1 | 14% | 0.14 | 36% | 0.362 | C | S | . | . | trans | -60.6 | 145 | 171.1 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | F80 Q138 K139 | F80-S141 PolarHBondContact N-O 2.97Å; Q138-S141 PolarHBondContact N-OG 3.23Å; Q138-S141 WeakPolarHBondContact O-CB 3.2Å; Q138-S141 PolarHBondContact O-N 3.31Å; Q138-S141 PolarHBondContact O-OG 2.96Å; K139-S141 PolarHBondContact O-N 3.32Å | ||
| 142 | T | 96.8 | Very high | 86.7 | Confident | 58 Ų | 58 | 70.8 Ų | 70.8 | 36% | 0.356 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 114.5 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | F80 K82 | F80-T142 CarbonylContact O-C 3.52Å; F80-T142 VanDerWaalsContact O-CA 3.3Å; F80-T142 WeakPolarHBondContact O-CA 3.21Å; K82-T142 HydrophobicContact CB-CG2 4.21Å; K82-T142 HydrophobicContact CD-CG2 4.21Å; K82-T142 HydrophobicContact CG-CG2 4.31Å |
| 143 | L | 97.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 151.8 | 167.9 | -77.3 | 64.8 | 0 | 0 | 0 | 109.3 | I79 F80 V81 K82 L119 I120 F121 L126 I137 | I79-L143 HydrophobicContact CD1-CD1 4.21Å; I79-L143 HydrophobicContact CD1-CD2 4.29Å; F80-L143 PolarHBondContact O-N 3.43Å; V81-L143 CarbonylContact C-O 3.5Å; V81-L143 WeakPolarHBondContact CA-O 3.41Å; V81-L143 HydrophobicContact CG2-CB 4.37Å; K82-L143 PolarHBondContact N-O 3.29Å; L119-L143 HydrophobicContact CB-CD2 4.43Å; L119-L143 HydrophobicContact CD1-CD2 4.33Å; I120-L143 CarbonylContact O-C 3.57Å; I120-L143 WeakPolarHBondContact O-CA 3.4Å; F121-L143 HydrophobicContact CB-CG 4.26Å; F121-L143 HydrophobicContact CD2-CD1 3.96Å; F121-L143 HydrophobicContact CD2-CG 4.38Å; L126-L143 HydrophobicContact CD1-CD2 3.59Å; L126-L143 HydrophobicContact CD1-CG 4.24Å; I137-L143 HydrophobicContact CD1-CD1 4.22Å; I137-L143 HydrophobicContact CD1-CD2 4.41Å; I137-L143 HydrophobicContact CG2-CD1 3.98Å |
| 144 | H | 97.2 | Very high | 85.7 | Confident | 94 Ų | 94 | 72 Ų | 72 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.4 | 171.8 | -67.1 | 72.8 | 0 | 0 | 0 | 109.7 | K82 L119 I120 | K82-H144 CarbonylContact O-C 3.56Å; K82-H144 WeakPolarHBondContact O-CA 3.46Å; L119-H144 WeakPolarHBondContact CA-O 3.48Å; I120-H144 HydrophobicContact CB-CB 4.36Å; I120-H144 PolarHBondContact N-O 2.97Å; I120-H144 PolarHBondContact O-N 3.2Å |
| 145 | L | 94.8 | Very high | 85.5 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117 | 173.3 | 175.8 | 63.5 | 0 | 0 | 0 | 109.8 | V81 K82 T83 I106 I112 Q117 L119 L147 | V81-L145 HydrophobicContact CG1-CB 3.54Å; V81-L145 HydrophobicContact CG1-CD2 4.47Å; K82-L145 PolarHBondContact O-N 3.43Å; T83-L145 HydrophobicContact CG2-CD2 4.44Å; I106-L145 HydrophobicContact CG2-CD2 4.11Å; I112-L145 HydrophobicContact CD1-CD2 4.04Å; Q117-L145 HydrophobicContact CB-CD1 3.74Å; Q117-L145 HydrophobicContact CG-CD1 3.91Å; L119-L145 HydrophobicContact CD2-CB 4.28Å; L119-L145 HydrophobicContact CD2-CD1 3.97Å; L145-L147 HydrophobicContact CD1-CD2 4.23Å; L145-L147 HydrophobicContact CD2-CD2 4.12Å; L145-L147 HydrophobicContact CG-CD2 4.06Å |
| 146 | V | 90.8 | Very high | 85.2 | Confident | 37 Ų | 37 | 68.5 Ų | 68.5 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.3 | 170.9 | 177.5 | 0 | 0 | 0 | 0 | 108.2 | L84 R118 I120 | L84-V146 HydrophobicContact CD1-CG1 4.17Å; L84-V146 HydrophobicContact CD1-CG2 4.4Å; L84-V146 HydrophobicContact CD2-CG2 4.24Å; L84-V146 HydrophobicContact CG-CG2 4.36Å; R118-V146 HydrophobicContact CB-CB 4.28Å; R118-V146 VanDerWaalsContact CB-O 3.26Å; R118-V146 WeakPolarHBondContact CB-O 3.33Å; R118-V146 PolarHBondContact N-O 3.18Å; R118-V146 PolarHBondContact O-N 3.03Å; I120-V146 HydrophobicContact CD1-CG2 3.81Å |
| 147 | L | 85.6 | Confident | 85 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 128 | 177.8 | -58 | -178.1 | 0 | 0 | 0 | 110.2 | I112 Q116 L145 | I112-L147 HydrophobicContact CD1-CD2 4.05Å; I112-L147 HydrophobicContact CG2-CD2 3.61Å; Q116-L147 CarbonylContact O-C 3.49Å; Q116-L147 WeakPolarHBondContact O-CA 3.45Å; L145-L147 HydrophobicContact CD1-CD2 4.23Å; L145-L147 HydrophobicContact CD2-CD2 4.12Å; L145-L147 HydrophobicContact CG-CD2 4.06Å |
| 148 | R | 75.9 | Confident | 84.6 | Confident | 84 Ų | 84 | 67.2 Ų | 67.2 | 32% | 0.317 | 32% | 0.323 | S | S | . | . | trans | -82.6 | 123.8 | 168.4 | -64.1 | -170.6 | -178.3 | 97.6 | -0.6 | 108.4 | Q116 Q117 R118 R150 | Q116-R148 PolarHBondContact O-N 3.2Å; Q117-R148 PolarHBondContact O-NH1 3.37Å; R118-R148 HydrophobicContact CB-CG 4.44Å; R148-R150 VanDerWaalsContact C-N 3.33Å; R148-R150 PolarHBondContact O-N 2.9Å | ||
| 149 | L | 58.7 | Low | 84.1 | Confident | 165 Ų | 165 | 62.9 Ų | 62.9 | 86% | 0.864 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -12.5 | -172.6 | -73.2 | 169.8 | 0 | 0 | 0 | 115.2 | ||
| 150 | R | 54.5 | Low | 83.3 | Confident | 225 Ų | 225 | 61.5 Ų | 61.5 | 85% | 0.849 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155 | 41.3 | -173.1 | -66.6 | -167.9 | -176.7 | 169.8 | 1 | 115.4 | R148 | R148-R150 VanDerWaalsContact C-N 3.33Å; R148-R150 PolarHBondContact O-N 2.9Å |
| 151 | G | 57 | Low | 82.4 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | trans | -87.2 | -36.2 | -173 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 152 | G | 65.4 | Low | 81.4 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -73.2 | 154.8 | -161.1 | 0 | 0 | 0 | 0 | 0 | 116 | D115 Q154 | D115-G152 WeakPolarHBondContact OD2-CA 3.29Å; G152-Q154 PolarHBondContact O-N 3.1Å |
| 153 | M | 82.2 | Confident | 80.8 | Confident | 27 Ų | 27 | 65.6 Ų | 65.6 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 106.9 | 170.4 | 169.3 | 172.3 | 155.4 | 0 | 0 | 107.4 | I155 V169 P171 L222 I227 K229 | M153-I155 HydrophobicContact CE-CG2 3.87Å; M153-V169 WeakPolarHBondContact CB-O 3.36Å; M153-V169 HydrophobicContact CE-CG2 4.2Å; M153-V169 HydrophobicContact CG-CG2 4.08Å; M153-V169 VanDerWaalsContact O-CG2 3.27Å; M153-V169 WeakPolarHBondContact O-CG2 3.25Å; M153-V169 PolarHBondContact O-N 3.09Å; M153-V169 VanDerWaalsContact O-O 3.05Å; M153-P171 HydrophobicContact SD-CG 3.94Å; M153-L222 HydrophobicContact CE-CD1 4.18Å; M153-I227 HydrophobicContact CE-CG2 4.08Å; M153-I227 WeakPolarHBondContact CE-O 3.5Å; M153-K229 HydrophobicContact CG-CB 4.2Å |
| 154 | Q | 85.3 | Confident | 80.3 | Confident | 64 Ų | 64 | 68.7 Ų | 68.7 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 136.8 | 174.5 | -75.8 | 179.5 | 4.2 | 0 | 0 | 109.7 | G152 T166 L167 E168 E230 | G152-Q154 PolarHBondContact O-N 3.1Å; Q154-T166 HydrophobicContact CB-CG2 4.34Å; Q154-T166 HydrophobicContact CG-CG2 4.32Å; Q154-L167 CarbonylContact C-O 3.44Å; Q154-L167 VanDerWaalsContact CA-O 3.25Å; Q154-L167 WeakPolarHBondContact CA-O 3.21Å; Q154-E168 HydrophobicContact CG-CG 3.69Å; Q154-E168 PolarHBondContact NE2-OE1 3.32Å; Q154-E230 WeakPolarHBondContact O-CA 3.28Å; Q154-E230 PolarHBondContact O-N 3.2Å |
| 155 | I | 90.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 156.8 | 168.6 | 63.3 | 170.8 | 0 | 0 | 0 | 109.1 | M153 L167 V169 V178 L222 I227 S231 L233 | M153-I155 HydrophobicContact CE-CG2 3.87Å; I155-L167 HydrophobicContact CG1-CB 3.97Å; I155-L167 PolarHBondContact N-O 3.25Å; I155-L167 PolarHBondContact O-N 2.94Å; I155-V169 HydrophobicContact CB-CG2 4.3Å; I155-V169 HydrophobicContact CD1-CB 4.47Å; I155-V169 HydrophobicContact CD1-CG1 3.81Å; I155-V169 HydrophobicContact CD1-CG2 3.91Å; I155-V169 HydrophobicContact CG1-CG1 3.96Å; I155-V169 HydrophobicContact CG1-CG2 3.75Å; I155-V169 HydrophobicContact CG2-CG2 3.73Å; I155-V178 HydrophobicContact CD1-CG1 4.24Å; I155-L222 HydrophobicContact CD1-CD1 4.22Å; I155-L222 HydrophobicContact CD1-CD2 4.37Å; I155-I227 HydrophobicContact CG2-CG2 3.91Å; I155-S231 WeakPolarHBondContact CA-O 3.22Å; I155-L233 HydrophobicContact CB-CD1 4.18Å; I155-L233 HydrophobicContact CD1-CD1 3.82Å; I155-L233 HydrophobicContact CD1-CD2 4.38Å; I155-L233 HydrophobicContact CG1-CD1 4.46Å |
| 156 | F | 90.5 | Very high | 79.4 | Confident | 51 Ų | 51 | 67 Ų | 67 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 136.2 | 178.7 | -56.3 | -71.7 | 0 | 0 | 0 | 110.1 | T164 I165 T166 E230 S231 T232 L233 | F156-T164 HydrophobicContact CB-CG2 4.06Å; F156-T164 HydrophobicContact CD1-CG2 4.17Å; F156-T164 HydrophobicContact CG-CG2 4.45Å; F156-I165 CarbonylContact C-O 3.59Å; F156-I165 WeakPolarHBondContact CA-O 3.43Å; F156-T166 HydrophobicContact CD1-CG2 4.13Å; F156-T166 HydrophobicContact CE1-CG2 3.84Å; F156-E230 HydrophobicContact CE2-CB 3.89Å; F156-E230 HydrophobicContact CE2-CG 4.14Å; F156-S231 PolarHBondContact N-O 2.99Å; F156-T232 HydrophobicContact CB-CG2 4.35Å; F156-T232 CarbonylContact O-C 3.58Å; F156-T232 VanDerWaalsContact O-CA 3.27Å; F156-T232 WeakPolarHBondContact O-CA 3.28Å; F156-L233 PolarHBondContact O-N 3.2Å |
| 157 | V | 91.2 | Very high | 79.2 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 115 | 173.6 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | I165 L167 I182 L195 L233 L235 | V157-I165 HydrophobicContact CB-CB 4.28Å; V157-I165 HydrophobicContact CB-CD1 4.49Å; V157-I165 HydrophobicContact CG1-CD1 4.45Å; V157-I165 PolarHBondContact N-O 3.08Å; V157-I165 PolarHBondContact O-N 3.05Å; V157-L167 HydrophobicContact CG2-CD1 3.58Å; V157-L167 HydrophobicContact CG2-CG 4.22Å; V157-I182 HydrophobicContact CG1-CD1 4.15Å; V157-I182 HydrophobicContact CG2-CD1 4.15Å; V157-L195 HydrophobicContact CG1-CD2 4.03Å; V157-L233 WeakPolarHBondContact CA-O 3.42Å; V157-L233 HydrophobicContact CG2-CB 4.38Å; V157-L235 HydrophobicContact CG1-CB 3.57Å; V157-L235 HydrophobicContact CG1-CD2 4.49Å |
| 158 | K | 86.6 | Confident | 79.2 | Confident | 91 Ų | 91 | 64.2 Ų | 64.2 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130 | 177.6 | -78.5 | -169.7 | 175.3 | -174.9 | 0 | 111.4 | K163 T164 T232 L233 H234 L235 | K158-K163 WeakPolarHBondContact CA-O 3.39Å; K158-T164 VanDerWaalsContact CE-OG1 3.29Å; K158-T164 WeakPolarHBondContact CE-OG1 3.12Å; K158-T164 HydrophobicContact CG-CG2 4.1Å; K158-T232 HydrophobicContact CB-CG2 4.33Å; K158-T232 HydrophobicContact CD-CG2 4.02Å; K158-T232 HydrophobicContact CG-CG2 3.93Å; K158-L233 PolarHBondContact N-O 3.28Å; K158-H234 CarbonylContact O-C 3.6Å; K158-H234 WeakPolarHBondContact O-CA 3.44Å; K158-L235 PolarHBondContact O-N 2.93Å |
| 159 | T | 82.8 | Confident | 79.7 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 17% | 0.172 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 162.5 | 171.9 | 67.9 | 0 | 0 | 0 | 0 | 110.8 | T161 G162 K163 I165 L235 | T159-T161 PolarHBondContact O-N 3.28Å; T159-T161 PolarHBondContact OG1-N 3.31Å; T159-T161 PolarHBondContact OG1-OG1 3.13Å; T159-G162 PolarHBondContact O-N 3.45Å; T159-G162 PolarHBondContact OG1-N 2.92Å; T159-K163 HydrophobicContact CG2-CB 4.25Å; T159-K163 PolarHBondContact N-O 2.91Å; T159-K163 WeakPolarHBondContact OG1-CB 3.32Å; T159-K163 PolarHBondContact OG1-N 3.49Å; T159-K163 VanDerWaalsContact OG1-N 3.11Å; T159-K163 PolarHBondContact OG1-O 3.05Å; T159-I165 HydrophobicContact CG2-CD1 4.23Å; T159-L235 HydrophobicContact CG2-CD2 4.38Å |
| 160 | L | 75.7 | Confident | 81 | Confident | 100 Ų | 100 | 55 Ų | 55 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.9 | 170.1 | -72.9 | 171 | 0 | 0 | 0 | 113.2 | G162 I210 V236 | L160-G162 PolarHBondContact O-N 2.86Å; L160-I210 HydrophobicContact CD2-CD1 3.24Å; L160-I210 HydrophobicContact CG-CD1 4.41Å; L160-V236 HydrophobicContact CD1-CG1 4.34Å; L160-V236 HydrophobicContact CD1-CG2 4.45Å |
| 161 | T | 74.6 | Confident | 82.5 | Confident | 126 Ų | 126 | 47.5 Ų | 47.5 | 77% | 0.773 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -5.5 | 175.5 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | T159 | T159-T161 PolarHBondContact O-N 3.28Å; T159-T161 PolarHBondContact OG1-N 3.31Å; T159-T161 PolarHBondContact OG1-OG1 3.13Å |
| 162 | G | 75.8 | Confident | 83.9 | Confident | 55 Ų | 55 | 49.1 Ų | 49.1 | 57% | 0.567 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 89.7 | -4.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | T159 L160 | T159-G162 PolarHBondContact O-N 3.45Å; T159-G162 PolarHBondContact OG1-N 2.92Å; L160-G162 PolarHBondContact O-N 2.86Å |
| 163 | K | 84.6 | Confident | 85 | Confident | 105 Ų | 105 | 49.8 Ų | 49.8 | 46% | 0.457 | 28% | 0.28 | S | S | . | . | trans | -64 | 135.9 | 174.3 | -172.5 | 176.9 | 177.1 | -175.8 | 0 | 109.5 | K158 T159 E186 | K158-K163 WeakPolarHBondContact CA-O 3.39Å; T159-K163 HydrophobicContact CG2-CB 4.25Å; T159-K163 PolarHBondContact N-O 2.91Å; T159-K163 WeakPolarHBondContact OG1-CB 3.32Å; T159-K163 PolarHBondContact OG1-N 3.49Å; T159-K163 VanDerWaalsContact OG1-N 3.11Å; T159-K163 PolarHBondContact OG1-O 3.05Å; K163-E186 VanDerWaalsContact CE-OE1 3.3Å; K163-E186 WeakPolarHBondContact CE-OE1 3.38Å; K163-E186 WeakPolarHBondContact CE-OE2 3.3Å; K163-E186 IonicContact NZ-OE1 2.69Å; K163-E186 PolarHBondContact NZ-OE1 3.15Å; K163-E186 IonicContact NZ-OE2 3.15Å; K163-E186 PolarHBondContact NZ-OE2 3.49Å | ||
| 164 | T | 86 | Confident | 85.6 | Confident | 66 Ų | 66 | 50 Ų | 50 | 41% | 0.405 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.9 | 176.6 | -54.7 | 0 | 0 | 0 | 0 | 109.2 | F156 K158 | F156-T164 HydrophobicContact CB-CG2 4.06Å; F156-T164 HydrophobicContact CD1-CG2 4.17Å; F156-T164 HydrophobicContact CG-CG2 4.45Å; K158-T164 VanDerWaalsContact CE-OG1 3.29Å; K158-T164 WeakPolarHBondContact CE-OG1 3.12Å; K158-T164 HydrophobicContact CG-CG2 4.1Å |
| 165 | I | 85.4 | Confident | 86.1 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 130.4 | 177.3 | -54.1 | 150.4 | 0 | 0 | 0 | 107.1 | F156 V157 T159 L167 K185 E186 | F156-I165 CarbonylContact C-O 3.59Å; F156-I165 WeakPolarHBondContact CA-O 3.43Å; V157-I165 HydrophobicContact CB-CB 4.28Å; V157-I165 HydrophobicContact CB-CD1 4.49Å; V157-I165 HydrophobicContact CG1-CD1 4.45Å; V157-I165 PolarHBondContact N-O 3.08Å; V157-I165 PolarHBondContact O-N 3.05Å; T159-I165 HydrophobicContact CG2-CD1 4.23Å; I165-L167 HydrophobicContact CG2-CD2 3.98Å; I165-L167 HydrophobicContact CG2-CG 4.38Å; I165-K185 HydrophobicContact CG2-CD 4.16Å; I165-E186 HydrophobicContact CD1-CG 3.63Å; I165-E186 HydrophobicContact CG1-CG 4Å |
| 166 | T | 88.3 | Confident | 86.2 | Confident | 54 Ų | 54 | 49.9 Ų | 49.9 | 33% | 0.331 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 126 | 174.7 | -53.5 | 0 | 0 | 0 | 0 | 108.7 | Q154 F156 K185 | Q154-T166 HydrophobicContact CB-CG2 4.34Å; Q154-T166 HydrophobicContact CG-CG2 4.32Å; F156-T166 HydrophobicContact CD1-CG2 4.13Å; F156-T166 HydrophobicContact CE1-CG2 3.84Å; T166-K185 PolarHBondContact O-NZ 3.19Å |
| 167 | L | 87.3 | Confident | 86.2 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.6 | 177.6 | -60.8 | 177.9 | 0 | 0 | 0 | 110.1 | Q154 I155 V157 I165 V169 V178 K181 I182 K185 | Q154-L167 CarbonylContact C-O 3.44Å; Q154-L167 VanDerWaalsContact CA-O 3.25Å; Q154-L167 WeakPolarHBondContact CA-O 3.21Å; I155-L167 HydrophobicContact CG1-CB 3.97Å; I155-L167 PolarHBondContact N-O 3.25Å; I155-L167 PolarHBondContact O-N 2.94Å; V157-L167 HydrophobicContact CG2-CD1 3.58Å; V157-L167 HydrophobicContact CG2-CG 4.22Å; I165-L167 HydrophobicContact CG2-CD2 3.98Å; I165-L167 HydrophobicContact CG2-CG 4.38Å; L167-V169 HydrophobicContact CB-CG1 4.1Å; L167-V178 HydrophobicContact CD1-CG1 3.9Å; L167-K181 HydrophobicContact CD2-CB 4.23Å; L167-I182 HydrophobicContact CD1-CD1 4.19Å; L167-I182 HydrophobicContact CD1-CG1 3.63Å; L167-I182 HydrophobicContact CD2-CG1 4.47Å; L167-K185 HydrophobicContact CD2-CD 3.97Å |
| 168 | E | 84.7 | Confident | 86.3 | Confident | 59 Ų | 59 | 50.8 Ų | 50.8 | 28% | 0.276 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126.5 | 166 | -73.4 | -170.9 | 172 | 0 | 0 | 109.1 | Q116 Q154 K181 | Q116-E168 PolarHBondContact NE2-OE2 2.91Å; Q154-E168 HydrophobicContact CG-CG 3.69Å; Q154-E168 PolarHBondContact NE2-OE1 3.32Å; E168-K181 WeakPolarHBondContact O-CD 3.42Å; E168-K181 PolarHBondContact O-NZ 2.94Å |
| 169 | V | 87.3 | Confident | 86.7 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 160.2 | -169.7 | -63.5 | 0 | 0 | 0 | 0 | 110.6 | M153 I155 L167 D173 V178 K181 L222 | M153-V169 WeakPolarHBondContact CB-O 3.36Å; M153-V169 HydrophobicContact CE-CG2 4.2Å; M153-V169 HydrophobicContact CG-CG2 4.08Å; M153-V169 VanDerWaalsContact O-CG2 3.27Å; M153-V169 WeakPolarHBondContact O-CG2 3.25Å; M153-V169 PolarHBondContact O-N 3.09Å; M153-V169 VanDerWaalsContact O-O 3.05Å; I155-V169 HydrophobicContact CB-CG2 4.3Å; I155-V169 HydrophobicContact CD1-CB 4.47Å; I155-V169 HydrophobicContact CD1-CG1 3.81Å; I155-V169 HydrophobicContact CD1-CG2 3.91Å; I155-V169 HydrophobicContact CG1-CG1 3.96Å; I155-V169 HydrophobicContact CG1-CG2 3.75Å; I155-V169 HydrophobicContact CG2-CG2 3.73Å; L167-V169 HydrophobicContact CB-CG1 4.1Å; V169-D173 VanDerWaalsContact CA-OD2 3.31Å; V169-D173 WeakPolarHBondContact CA-OD2 3.4Å; V169-V178 HydrophobicContact CG1-CG2 4.3Å; V169-K181 HydrophobicContact CG1-CD 4.24Å; V169-L222 HydrophobicContact CB-CD1 3.58Å; V169-L222 HydrophobicContact CG1-CD1 4.14Å; V169-L222 HydrophobicContact CG2-CD1 3.39Å |
| 170 | E | 84.5 | Confident | 87.1 | Confident | 54 Ų | 54 | 48.3 Ų | 48.3 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | trans | -106.2 | 151.7 | 168.9 | -64.8 | -172.2 | 173.4 | 0 | 0 | 110.5 | P114 S172 D173 | P114-E170 WeakPolarHBondContact CD-OE1 3.44Å; E170-S172 PolarHBondContact O-N 3.39Å; E170-S172 VanDerWaalsContact O-N 3.09Å; E170-D173 PolarHBondContact N-OD2 2.84Å; E170-D173 VanDerWaalsContact O-CB 3.31Å; E170-D173 WeakPolarHBondContact O-CB 3.26Å; E170-D173 PolarHBondContact O-N 2.75Å | ||
| 171 | P | 86.6 | Confident | 87.7 | Confident | 67 Ų | 67 | 46 Ų | 46 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.1 | 176.6 | -24.3 | 33.3 | 0 | 0 | 0 | 114 | M153 S223 | M153-P171 HydrophobicContact SD-CG 3.94Å; P171-S223 VanDerWaalsContact O-CB 3.3Å; P171-S223 WeakPolarHBondContact O-CB 3.36Å; P171-S223 PolarHBondContact O-N 3.32Å; P171-S223 PolarHBondContact O-OG 3.47Å |
| 172 | S | 86.7 | Confident | 88.5 | Confident | 72 Ų | 72 | 40 Ų | 40 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -12.9 | 176.1 | 45.6 | 0 | 0 | 0 | 0 | 113.8 | E170 T174 T221 | E170-S172 PolarHBondContact O-N 3.39Å; E170-S172 VanDerWaalsContact O-N 3.09Å; S172-T174 PolarHBondContact O-N 3.25Å; S172-T221 WeakPolarHBondContact O-CG2 3.48Å |
| 173 | D | 89.1 | Confident | 89.2 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 9% | 0.086 | 22% | 0.217 | C | C | . | . | trans | -59.7 | 129.8 | 179.2 | -88.1 | -33.3 | 0 | 0 | 0 | 110 | V169 E170 N177 V178 K181 T221 L222 | V169-D173 VanDerWaalsContact CA-OD2 3.31Å; V169-D173 WeakPolarHBondContact CA-OD2 3.4Å; E170-D173 PolarHBondContact N-OD2 2.84Å; E170-D173 VanDerWaalsContact O-CB 3.31Å; E170-D173 WeakPolarHBondContact O-CB 3.26Å; E170-D173 PolarHBondContact O-N 2.75Å; D173-N177 HydrophobicContact CB-CB 4.25Å; D173-N177 PolarHBondContact OD1-ND2 2.9Å; D173-N177 VanDerWaalsContact OD1-ND2 3.15Å; D173-V178 HydrophobicContact CB-CG2 4.37Å; D173-K181 WeakPolarHBondContact OD2-CE 3.47Å; D173-K181 IonicContact OD2-NZ 3.26Å; D173-K181 PolarHBondContact OD2-NZ 3.42Å; D173-T221 CarbonylContact O-C 3.53Å; D173-T221 VanDerWaalsContact O-CA 3.23Å; D173-T221 WeakPolarHBondContact O-CA 3.42Å; D173-L222 HydrophobicContact CB-CD1 4.29Å; D173-L222 PolarHBondContact O-N 3.43Å | ||
| 174 | T | 94.4 | Very high | 89.1 | Confident | 33 Ų | 33 | 40.7 Ų | 40.7 | 20% | 0.202 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -72.7 | 160.3 | 172 | 62.6 | 0 | 0 | 0 | 0 | 111 | S172 D176 N177 V178 R220 T221 | S172-T174 PolarHBondContact O-N 3.25Å; T174-D176 PolarHBondContact O-N 2.85Å; T174-N177 WeakPolarHBondContact O-CB 3.21Å; T174-N177 PolarHBondContact O-N 3.04Å; T174-N177 VanDerWaalsContact O-N 3.1Å; T174-N177 VanDerWaalsContact OG1-CG 3.23Å; T174-N177 PolarHBondContact OG1-N 2.83Å; T174-N177 PolarHBondContact OG1-OD1 2.83Å; T174-N177 VanDerWaalsContact OG1-OD1 3.11Å; T174-V178 WeakPolarHBondContact O-CG2 3.3Å; T174-V178 PolarHBondContact O-N 2.77Å; T174-R220 CarbonylContact C-O 3.59Å; T174-R220 WeakPolarHBondContact CA-O 3.19Å; T174-T221 HydrophobicContact CG2-CG2 4.39Å |
| 175 | I | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.8 | -32.4 | 173.6 | -58.7 | -51.7 | 0 | 0 | 0 | 111.3 | V178 K179 L195 L216 E217 R220 L222 Y225 | I175-V178 PolarHBondContact O-N 2.83Å; I175-K179 HydrophobicContact CG2-CD 4.49Å; I175-K179 WeakPolarHBondContact O-CG 3.49Å; I175-K179 PolarHBondContact O-N 2.88Å; I175-L195 HydrophobicContact CG2-CD1 4.18Å; I175-L216 HydrophobicContact CD1-CB 3.89Å; I175-L216 HydrophobicContact CD1-CD1 3.68Å; I175-L216 HydrophobicContact CD1-CG 4.31Å; I175-L216 HydrophobicContact CG1-CB 3.92Å; I175-L216 HydrophobicContact CG2-CB 4.05Å; I175-E217 WeakPolarHBondContact CB-O 3.2Å; I175-E217 VanDerWaalsContact CG1-O 3.25Å; I175-E217 WeakPolarHBondContact CG1-O 3.17Å; I175-R220 WeakPolarHBondContact CG1-O 3.42Å; I175-R220 PolarHBondContact N-O 2.94Å; I175-L222 HydrophobicContact CD1-CD2 4.12Å; I175-Y225 HydrophobicContact CD1-CD2 4.28Å; I175-Y225 HydrophobicContact CD1-CE2 4.26Å; I175-Y225 HydrophobicContact CG1-CE2 4.07Å |
| 176 | D | 93.3 | Very high | 89 | Confident | 60 Ų | 60 | 46.1 Ų | 46.1 | 32% | 0.321 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61 | -47.9 | 172 | -58.2 | -79.1 | 0 | 0 | 0 | 111.7 | T174 V178 K179 T180 D218 G219 | T174-D176 PolarHBondContact O-N 2.85Å; D176-V178 VanDerWaalsContact C-N 3.28Å; D176-V178 PolarHBondContact O-N 3.27Å; D176-K179 WeakPolarHBondContact O-CB 3.47Å; D176-K179 PolarHBondContact O-N 2.83Å; D176-K179 VanDerWaalsContact O-N 3.08Å; D176-T180 PolarHBondContact O-N 2.9Å; D176-T180 PolarHBondContact O-OG1 3.08Å; D176-D218 WeakPolarHBondContact OD1-CB 3.12Å; D176-G219 PolarHBondContact OD2-N 3.47Å |
| 177 | N | 91.4 | Very high | 88.8 | Confident | 70 Ų | 70 | 46.5 Ų | 46.5 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.7 | -43.6 | 176.1 | -65.3 | -0.6 | 0 | 0 | 0 | 111.1 | D173 T174 K179 T180 K181 | D173-N177 HydrophobicContact CB-CB 4.25Å; D173-N177 PolarHBondContact OD1-ND2 2.9Å; D173-N177 VanDerWaalsContact OD1-ND2 3.15Å; T174-N177 WeakPolarHBondContact O-CB 3.21Å; T174-N177 PolarHBondContact O-N 3.04Å; T174-N177 VanDerWaalsContact O-N 3.1Å; T174-N177 VanDerWaalsContact OG1-CG 3.23Å; T174-N177 PolarHBondContact OG1-N 2.83Å; T174-N177 PolarHBondContact OG1-OD1 2.83Å; T174-N177 VanDerWaalsContact OG1-OD1 3.11Å; N177-K179 VanDerWaalsContact C-N 3.31Å; N177-K179 PolarHBondContact O-N 3.11Å; N177-T180 PolarHBondContact O-N 2.91Å; N177-K181 WeakPolarHBondContact O-CG 3.42Å; N177-K181 PolarHBondContact O-N 2.96Å |
| 178 | V | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 178.2 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | I155 L167 V169 D173 T174 I175 D176 K181 I182 L195 L222 | I155-V178 HydrophobicContact CD1-CG1 4.24Å; L167-V178 HydrophobicContact CD1-CG1 3.9Å; V169-V178 HydrophobicContact CG1-CG2 4.3Å; D173-V178 HydrophobicContact CB-CG2 4.37Å; T174-V178 WeakPolarHBondContact O-CG2 3.3Å; T174-V178 PolarHBondContact O-N 2.77Å; I175-V178 PolarHBondContact O-N 2.83Å; D176-V178 VanDerWaalsContact C-N 3.28Å; D176-V178 PolarHBondContact O-N 3.27Å; V178-K181 PolarHBondContact O-N 3.37Å; V178-I182 HydrophobicContact CG1-CD1 4.29Å; V178-I182 WeakPolarHBondContact O-CG1 3.29Å; V178-I182 PolarHBondContact O-N 3.18Å; V178-L195 HydrophobicContact CB-CD1 4.37Å; V178-L195 HydrophobicContact CG1-CD1 3.8Å; V178-L222 HydrophobicContact CG2-CD1 4.14Å; V178-L222 HydrophobicContact CG2-CD2 3.94Å; V178-L222 HydrophobicContact CG2-CG 4.11Å |
| 179 | K | 94.3 | Very high | 88.6 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 176.3 | -71.8 | 171.1 | 166.8 | -173.8 | 0 | 112.4 | I175 D176 N177 K181 I182 Q183 P190 Q193 L195 D218 | I175-K179 HydrophobicContact CG2-CD 4.49Å; I175-K179 WeakPolarHBondContact O-CG 3.49Å; I175-K179 PolarHBondContact O-N 2.88Å; D176-K179 WeakPolarHBondContact O-CB 3.47Å; D176-K179 PolarHBondContact O-N 2.83Å; D176-K179 VanDerWaalsContact O-N 3.08Å; N177-K179 VanDerWaalsContact C-N 3.31Å; N177-K179 PolarHBondContact O-N 3.11Å; K179-K181 VanDerWaalsContact C-N 3.34Å; K179-K181 PolarHBondContact O-N 3.19Å; K179-I182 WeakPolarHBondContact O-CB 3.46Å; K179-I182 PolarHBondContact O-N 3.16Å; K179-I182 VanDerWaalsContact O-N 3.12Å; K179-Q183 PolarHBondContact O-N 2.98Å; K179-P190 HydrophobicContact CB-CB 3.86Å; K179-P190 HydrophobicContact CB-CG 4.41Å; K179-P190 HydrophobicContact CD-CB 4.24Å; K179-P190 PolarHBondContact NZ-O 3.08Å; K179-Q193 HydrophobicContact CD-CB 4.4Å; K179-Q193 VanDerWaalsContact CE-O 3.32Å; K179-Q193 WeakPolarHBondContact CE-O 3.49Å; K179-Q193 HydrophobicContact CG-CB 4.09Å; K179-Q193 PolarHBondContact NZ-O 3.38Å; K179-Q193 PolarHBondContact O-NE2 3.3Å; K179-Q193 PolarHBondContact O-OE1 2.88Å; K179-L195 HydrophobicContact CG-CD1 4.03Å; K179-D218 WeakPolarHBondContact CE-OD1 3.45Å; K179-D218 IonicContact NZ-OD1 3.46Å; K179-D218 PolarHBondContact NZ-OD1 3.3Å; K179-D218 IonicContact NZ-OD2 3.03Å; K179-D218 PolarHBondContact NZ-OD2 3.32Å |
| 180 | T | 90.3 | Very high | 88.6 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 37% | 0.368 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 173.1 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | D176 N177 I182 Q183 D184 | D176-T180 PolarHBondContact O-N 2.9Å; D176-T180 PolarHBondContact O-OG1 3.08Å; N177-T180 PolarHBondContact O-N 2.91Å; T180-I182 PolarHBondContact O-N 3.4Å; T180-Q183 CarbonylContact O-C 3.59Å; T180-Q183 WeakPolarHBondContact O-CA 3.45Å; T180-Q183 WeakPolarHBondContact O-CB 3.04Å; T180-Q183 PolarHBondContact O-N 3.2Å; T180-D184 VanDerWaalsContact O-CG 3.25Å; T180-D184 PolarHBondContact O-N 3.15Å |
| 181 | K | 90.2 | Very high | 88.6 | Confident | 53 Ų | 53 | 47 Ų | 47 | 23% | 0.23 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.9 | -30.9 | 174.8 | -67.2 | -178.8 | -164.9 | -150.8 | 0 | 113.2 | L167 E168 V169 D173 N177 V178 K179 K185 | L167-K181 HydrophobicContact CD2-CB 4.23Å; E168-K181 WeakPolarHBondContact O-CD 3.42Å; E168-K181 PolarHBondContact O-NZ 2.94Å; V169-K181 HydrophobicContact CG1-CD 4.24Å; D173-K181 WeakPolarHBondContact OD2-CE 3.47Å; D173-K181 IonicContact OD2-NZ 3.26Å; D173-K181 PolarHBondContact OD2-NZ 3.42Å; N177-K181 WeakPolarHBondContact O-CG 3.42Å; N177-K181 PolarHBondContact O-N 2.96Å; V178-K181 PolarHBondContact O-N 3.37Å; K179-K181 VanDerWaalsContact C-N 3.34Å; K179-K181 PolarHBondContact O-N 3.19Å; K181-K185 PolarHBondContact O-N 3.32Å |
| 182 | I | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.4 | -42.8 | 172.5 | -65.5 | 163.6 | 0 | 0 | 0 | 110.4 | V157 L167 V178 K179 T180 D184 K185 E186 Q193 L195 L235 | V157-I182 HydrophobicContact CG1-CD1 4.15Å; V157-I182 HydrophobicContact CG2-CD1 4.15Å; L167-I182 HydrophobicContact CD1-CD1 4.19Å; L167-I182 HydrophobicContact CD1-CG1 3.63Å; L167-I182 HydrophobicContact CD2-CG1 4.47Å; V178-I182 HydrophobicContact CG1-CD1 4.29Å; V178-I182 WeakPolarHBondContact O-CG1 3.29Å; V178-I182 PolarHBondContact O-N 3.18Å; K179-I182 WeakPolarHBondContact O-CB 3.46Å; K179-I182 PolarHBondContact O-N 3.16Å; K179-I182 VanDerWaalsContact O-N 3.12Å; T180-I182 PolarHBondContact O-N 3.4Å; I182-D184 VanDerWaalsContact C-N 3.32Å; I182-D184 PolarHBondContact O-N 3.32Å; I182-K185 PolarHBondContact O-N 3.48Å; I182-E186 HydrophobicContact CG2-CB 4.5Å; I182-E186 WeakPolarHBondContact O-CB 3.46Å; I182-E186 PolarHBondContact O-N 2.74Å; I182-Q193 VanDerWaalsContact CD1-OE1 3.27Å; I182-L195 HydrophobicContact CD1-CD1 4.05Å; I182-L195 HydrophobicContact CD1-CD2 3.79Å; I182-L195 HydrophobicContact CD1-CG 4.39Å; I182-L235 HydrophobicContact CG2-CD2 4.11Å |
| 183 | Q | 89.7 | Confident | 88.7 | Confident | 51 Ų | 51 | 42.5 Ų | 42.5 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.4 | -46.8 | 175.1 | -177.4 | -179.2 | 17.4 | 0 | 0 | 110.6 | K179 T180 K185 E186 G187 I188 P190 | K179-Q183 PolarHBondContact O-N 2.98Å; T180-Q183 CarbonylContact O-C 3.59Å; T180-Q183 WeakPolarHBondContact O-CA 3.45Å; T180-Q183 WeakPolarHBondContact O-CB 3.04Å; T180-Q183 PolarHBondContact O-N 3.2Å; Q183-K185 VanDerWaalsContact C-N 3.26Å; Q183-K185 PolarHBondContact O-N 3.47Å; Q183-E186 PolarHBondContact O-N 3.03Å; Q183-G187 WeakPolarHBondContact O-CA 3.4Å; Q183-G187 PolarHBondContact O-N 2.69Å; Q183-I188 VanDerWaalsContact CA-O 3.29Å; Q183-I188 WeakPolarHBondContact CA-O 3.21Å; Q183-I188 VanDerWaalsContact CB-O 3.23Å; Q183-I188 WeakPolarHBondContact CB-O 3.46Å; Q183-P190 HydrophobicContact CB-CG 4.47Å |
| 184 | D | 82.1 | Confident | 88.6 | Confident | 123 Ų | 123 | 46.3 Ų | 46.3 | 66% | 0.658 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.8 | -34.1 | -179.9 | -63.8 | -25.7 | 0 | 0 | 0 | 112.6 | T180 I182 | T180-D184 VanDerWaalsContact O-CG 3.25Å; T180-D184 PolarHBondContact O-N 3.15Å; I182-D184 VanDerWaalsContact C-N 3.32Å; I182-D184 PolarHBondContact O-N 3.32Å |
| 185 | K | 82.3 | Confident | 88.5 | Confident | 125 Ų | 125 | 44.8 Ų | 44.8 | 54% | 0.543 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -86.6 | -34.2 | 179.9 | -77.7 | -159.1 | 178.4 | -167.5 | 0 | 114.6 | I165 T166 L167 K181 I182 Q183 | I165-K185 HydrophobicContact CG2-CD 4.16Å; T166-K185 PolarHBondContact O-NZ 3.19Å; L167-K185 HydrophobicContact CD2-CD 3.97Å; K181-K185 PolarHBondContact O-N 3.32Å; I182-K185 PolarHBondContact O-N 3.48Å; Q183-K185 VanDerWaalsContact C-N 3.26Å; Q183-K185 PolarHBondContact O-N 3.47Å |
| 186 | E | 88 | Confident | 88.2 | Confident | 62 Ų | 62 | 45.6 Ų | 45.6 | 29% | 0.29 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -122.6 | -5.9 | -166.6 | -63.3 | -72 | 142.2 | 0 | 0 | 113.4 | K163 I165 I182 Q183 I188 | K163-E186 VanDerWaalsContact CE-OE1 3.3Å; K163-E186 WeakPolarHBondContact CE-OE1 3.38Å; K163-E186 WeakPolarHBondContact CE-OE2 3.3Å; K163-E186 IonicContact NZ-OE1 2.69Å; K163-E186 PolarHBondContact NZ-OE1 3.15Å; K163-E186 IonicContact NZ-OE2 3.15Å; K163-E186 PolarHBondContact NZ-OE2 3.49Å; I165-E186 HydrophobicContact CD1-CG 3.63Å; I165-E186 HydrophobicContact CG1-CG 4Å; I182-E186 HydrophobicContact CG2-CB 4.5Å; I182-E186 WeakPolarHBondContact O-CB 3.46Å; I182-E186 PolarHBondContact O-N 2.74Å; Q183-E186 PolarHBondContact O-N 3.03Å; E186-I188 HydrophobicContact CB-CD1 3.74Å; E186-I188 HydrophobicContact CB-CG1 3.97Å; E186-I188 PolarHBondContact O-N 3.29Å |
| 187 | G | 82.9 | Confident | 88 | Confident | 61 Ų | 61 | 44 Ų | 44 | 63% | 0.629 | 23% | 0.232 | S | C | * | . | trans | 71.4 | 13 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q183 P189 | Q183-G187 WeakPolarHBondContact O-CA 3.4Å; Q183-G187 PolarHBondContact O-N 2.69Å; G187-P189 WeakPolarHBondContact O-CD 3.41Å | ||
| 188 | I | 84.2 | Confident | 86.8 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 14% | 0.138 | 23% | 0.23 | C | C | . | . | trans | -90.3 | 118.3 | -175.2 | -56.8 | 164.8 | 0 | 0 | 0 | 109.4 | Q183 E186 Q192 Q193 L235 L237 | Q183-I188 VanDerWaalsContact CA-O 3.29Å; Q183-I188 WeakPolarHBondContact CA-O 3.21Å; Q183-I188 VanDerWaalsContact CB-O 3.23Å; Q183-I188 WeakPolarHBondContact CB-O 3.46Å; E186-I188 HydrophobicContact CB-CD1 3.74Å; E186-I188 HydrophobicContact CB-CG1 3.97Å; E186-I188 PolarHBondContact O-N 3.29Å; I188-Q192 HydrophobicContact CG2-CB 4.37Å; I188-Q193 HydrophobicContact CB-CG 4.41Å; I188-Q193 HydrophobicContact CG2-CG 3.68Å; I188-Q193 PolarHBondContact O-NE2 2.84Å; I188-L235 HydrophobicContact CD1-CD2 4.01Å; I188-L237 HydrophobicContact CD1-CD2 4.15Å; I188-L237 HydrophobicContact CG2-CD2 3.63Å | ||
| 189 | P | 84.5 | Confident | 85.2 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 13% | 0.13 | 25% | 0.251 | C | S | . | . | trans | -56.9 | 138.2 | 177.8 | -30.9 | 39.9 | 0 | 0 | 0 | 114.1 | G187 D191 Q192 Q193 E260 | G187-P189 WeakPolarHBondContact O-CD 3.41Å; P189-D191 VanDerWaalsContact C-N 3.26Å; P189-D191 WeakPolarHBondContact CB-OD1 3.41Å; P189-D191 PolarHBondContact O-N 3.27Å; P189-Q192 HydrophobicContact CB-CG 4.26Å; P189-Q192 WeakPolarHBondContact O-CB 3.45Å; P189-Q192 PolarHBondContact O-N 3.37Å; P189-Q193 WeakPolarHBondContact O-CG 3.08Å; P189-Q193 PolarHBondContact O-N 2.72Å; P189-E260 WeakPolarHBondContact CB-OE1 3.21Å | ||
| 190 | P | 87.8 | Confident | 82.9 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -56.2 | -32 | -177 | -30.1 | 37.4 | 0 | 0 | 0 | 115.3 | K179 Q183 Q192 Q193 | K179-P190 HydrophobicContact CB-CB 3.86Å; K179-P190 HydrophobicContact CB-CG 4.41Å; K179-P190 HydrophobicContact CD-CB 4.24Å; K179-P190 PolarHBondContact NZ-O 3.08Å; Q183-P190 HydrophobicContact CB-CG 4.47Å; P190-Q192 VanDerWaalsContact C-N 3.33Å; P190-Q193 WeakPolarHBondContact O-CB 3.36Å; P190-Q193 PolarHBondContact O-N 2.83Å |
| 191 | D | 83.4 | Confident | 80.3 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -71.1 | -26.6 | 178.4 | 62.9 | -13.4 | 0 | 0 | 0 | 113.2 | P189 Q193 G242 | P189-D191 VanDerWaalsContact C-N 3.26Å; P189-D191 WeakPolarHBondContact CB-OD1 3.41Å; P189-D191 PolarHBondContact O-N 3.27Å; D191-Q193 VanDerWaalsContact C-N 3.31Å; D191-G242 WeakPolarHBondContact OD2-CA 3.42Å |
| 192 | Q | 85.4 | Confident | 77.4 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -80.6 | -14.4 | 171.7 | -63.3 | -175.8 | 6.7 | 0 | 0 | 112.5 | I188 P189 P190 L237 R238 | I188-Q192 HydrophobicContact CG2-CB 4.37Å; P189-Q192 HydrophobicContact CB-CG 4.26Å; P189-Q192 WeakPolarHBondContact O-CB 3.45Å; P189-Q192 PolarHBondContact O-N 3.37Å; P190-Q192 VanDerWaalsContact C-N 3.33Å; Q192-L237 CarbonylContact O-C 3.57Å; Q192-L237 WeakPolarHBondContact O-CA 3.28Å; Q192-R238 PolarHBondContact O-N 3.48Å |
| 193 | Q | 89.7 | Confident | 74.7 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 127.6 | -177.4 | -60.7 | 177.8 | 37.8 | 0 | 0 | 111.9 | K179 I182 I188 P189 P190 D191 L235 | K179-Q193 HydrophobicContact CD-CB 4.4Å; K179-Q193 VanDerWaalsContact CE-O 3.32Å; K179-Q193 WeakPolarHBondContact CE-O 3.49Å; K179-Q193 HydrophobicContact CG-CB 4.09Å; K179-Q193 PolarHBondContact NZ-O 3.38Å; K179-Q193 PolarHBondContact O-NE2 3.3Å; K179-Q193 PolarHBondContact O-OE1 2.88Å; I182-Q193 VanDerWaalsContact CD1-OE1 3.27Å; I188-Q193 HydrophobicContact CB-CG 4.41Å; I188-Q193 HydrophobicContact CG2-CG 3.68Å; I188-Q193 PolarHBondContact O-NE2 2.84Å; P189-Q193 WeakPolarHBondContact O-CG 3.08Å; P189-Q193 PolarHBondContact O-N 2.72Å; P190-Q193 WeakPolarHBondContact O-CB 3.36Å; P190-Q193 PolarHBondContact O-N 2.83Å; D191-Q193 VanDerWaalsContact C-N 3.31Å; Q193-L235 HydrophobicContact CB-CD1 3.71Å; Q193-L235 HydrophobicContact CG-CD1 3.92Å |
| 194 | R | 88.2 | Confident | 72.2 | Confident | 95 Ų | 95 | 76.3 Ų | 76.3 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 109.6 | 168.5 | -144 | 179.9 | -173.2 | -170.3 | 1.6 | 108.8 | Q215 V236 R238 | R194-Q215 HydrophobicContact CG-CG 4.18Å; R194-V236 HydrophobicContact CB-CB 4.33Å; R194-V236 VanDerWaalsContact CB-O 3.24Å; R194-V236 WeakPolarHBondContact CB-O 3.42Å; R194-V236 PolarHBondContact N-O 3.24Å; R194-V236 PolarHBondContact O-N 3.38Å; R194-R238 HydrophobicContact CB-CG 4.5Å |
| 195 | L | 91.3 | Very high | 70.3 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 132.6 | 178.9 | -68.5 | 173.7 | 0 | 0 | 0 | 110.5 | V157 I175 V178 K179 I182 L216 L233 L235 | V157-L195 HydrophobicContact CG1-CD2 4.03Å; I175-L195 HydrophobicContact CG2-CD1 4.18Å; V178-L195 HydrophobicContact CB-CD1 4.37Å; V178-L195 HydrophobicContact CG1-CD1 3.8Å; K179-L195 HydrophobicContact CG-CD1 4.03Å; I182-L195 HydrophobicContact CD1-CD1 4.05Å; I182-L195 HydrophobicContact CD1-CD2 3.79Å; I182-L195 HydrophobicContact CD1-CG 4.39Å; L195-L216 HydrophobicContact CB-CB 4.24Å; L195-L216 HydrophobicContact CB-CD1 3.96Å; L195-L216 HydrophobicContact CB-CG 4.32Å; L195-L216 PolarHBondContact O-N 3.3Å; L195-L233 HydrophobicContact CB-CD2 4.48Å; L195-L233 HydrophobicContact CD1-CD2 4.29Å; L195-L233 HydrophobicContact CD2-CD2 4.46Å; L195-L235 HydrophobicContact CD2-CB 4.29Å; L195-L235 HydrophobicContact CD2-CD1 4.07Å |
| 196 | I | 89.6 | Confident | 68.9 | Low | 18 Ų | 18 | 76.2 Ų | 76.2 | 9% | 0.092 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.4 | -179.6 | -61.2 | 166.2 | 0 | 0 | 0 | 107.8 | I210 H234 V236 | I196-I210 HydrophobicContact CD1-CG2 3.54Å; I196-H234 HydrophobicContact CB-CB 4.49Å; I196-H234 PolarHBondContact N-O 2.92Å; I196-H234 PolarHBondContact O-N 3Å; I196-V236 HydrophobicContact CD1-CB 4.46Å; I196-V236 HydrophobicContact CD1-CG2 3.69Å |
| 197 | F | 87.9 | Confident | 67.2 | Low | 27 Ų | 27 | 79.8 Ų | 79.8 | 12% | 0.118 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 120.5 | 172.8 | -175 | -122.3 | 0 | 0 | 0 | 109.4 | K214 L216 I227 L233 | F197-K214 PolarHBondContact N-O 3Å; F197-K214 PolarHBondContact O-N 3.39Å; F197-L216 HydrophobicContact CB-CD1 4.14Å; F197-L216 HydrophobicContact CB-CD2 3.71Å; F197-L216 HydrophobicContact CB-CG 4.13Å; F197-I227 HydrophobicContact CB-CD1 4.4Å; F197-I227 HydrophobicContact CD1-CD1 4.14Å; F197-I227 HydrophobicContact CD1-CG1 3.6Å; F197-I227 HydrophobicContact CD2-CG1 4.3Å; F197-I227 HydrophobicContact CE1-CG1 3.6Å; F197-I227 HydrophobicContact CE2-CG1 4.32Å; F197-I227 HydrophobicContact CG-CD1 4.16Å; F197-I227 HydrophobicContact CG-CG1 3.96Å; F197-I227 HydrophobicContact CZ-CG1 3.98Å; F197-L233 HydrophobicContact CD2-CG 4.43Å |
| 198 | A | 67.5 | Low | 65.5 | Low | 39 Ų | 39 | 81.6 Ų | 81.6 | 32% | 0.322 | 42% | 0.417 | S | S | . | . | trans | -106 | 115.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 199 | G | 59.8 | Low | 63.8 | Low | 43 Ų | 43 | 84.8 Ų | 84.8 | 44% | 0.443 | 43% | 0.427 | S | S | . | . | trans | -54.7 | 167.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W201 | G199-W201 PolarHBondContact O-N 3.44Š| ||
| 200 | K | 45.8 | Very low | 62.2 | Low | 210 Ų | 210 | 85 Ų | 85 | 91% | 0.913 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -54.4 | 99.3 | -178.2 | -91.4 | -178.3 | 174.4 | 174.3 | 0 | 112.1 | ||
| 201 | W | 36.3 | Very low | 60.3 | Low | 220 Ų | 220 | 90.6 Ų | 90.6 | 83% | 0.833 | 46% | 0.455 | S | S | * | . | trans | -142.3 | 151.6 | 162.3 | -90.6 | 91.7 | 0 | 0 | 0 | 111.8 | G199 R209 | G199-W201 PolarHBondContact O-N 3.44Å; W201-R209 PolarHBondContact O-NH2 3.32Å | ||
| 202 | L | 29.1 | Very low | 58.8 | Low | 167 Ų | 167 | 95.1 Ų | 95.1 | 87% | 0.874 | 48% | 0.478 | S | S | * | . | trans | -47.2 | 129.5 | -164 | -126.6 | 81.2 | 0 | 0 | 0 | 114 | M204 | L202-M204 PolarHBondContact O-N 3.23Š| ||
| 203 | A | 34.6 | Very low | 57.8 | Low | 73 Ų | 73 | 93.9 Ų | 93.9 | 60% | 0.603 | 48% | 0.477 | S | S | * | . | trans | -82.3 | 107 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 204 | M | 35.8 | Very low | 57.3 | Low | 166 Ų | 166 | 100.2 Ų | 100.2 | 82% | 0.818 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -138.1 | 120.6 | 151.8 | -122.3 | 169.9 | 76.4 | 0 | 0 | 108 | L202 | L202-M204 PolarHBondContact O-N 3.23Š|
| 205 | L | 42.9 | Very low | 57.2 | Low | 118 Ų | 118 | 99.2 Ų | 99.2 | 62% | 0.618 | 50% | 0.504 | S | S | * | . | trans | 68.4 | 108 | -169.4 | -85.6 | 91 | 0 | 0 | 0 | 117.9 | H207 L208 R209 | L205-H207 VanDerWaalsContact C-N 3.33Å; L205-H207 PolarHBondContact O-N 2.97Å; L205-L208 HydrophobicContact CB-CB 3.91Å; L205-L208 PolarHBondContact O-N 3.13Å; L205-R209 WeakPolarHBondContact O-CB 3.28Å; L205-R209 PolarHBondContact O-N 2.96Å; L205-R209 VanDerWaalsContact O-N 3.08Å | ||
| 206 | I | 52.9 | Low | 57.2 | Low | 128 Ų | 128 | 99.3 Ų | 99.3 | 66% | 0.656 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.6 | -41.6 | 172.5 | -66.4 | 167.9 | 0 | 0 | 0 | 111.9 | R209 | I206-R209 PolarHBondContact O-N 2.75Å |
| 207 | H | 52.6 | Low | 57.3 | Low | 138 Ų | 138 | 103.2 Ų | 103.2 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.3 | -37.6 | -179.3 | -84.3 | 83 | 0 | 0 | 0 | 113.1 | L205 R209 | L205-H207 VanDerWaalsContact C-N 3.33Å; L205-H207 PolarHBondContact O-N 2.97Å; H207-R209 VanDerWaalsContact C-N 3.34Å |
| 208 | L | 47.2 | Very low | 57.3 | Low | 99 Ų | 99 | 105.8 Ų | 105.8 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -74 | -28.9 | 178.5 | -159.3 | 70.4 | 0 | 0 | 0 | 111.7 | L205 I210 L211 | L205-L208 HydrophobicContact CB-CB 3.91Å; L205-L208 PolarHBondContact O-N 3.13Å; L208-I210 PolarHBondContact O-N 3.47Å; L208-L211 PolarHBondContact O-N 2.71Å |
| 209 | R | 48.4 | Very low | 58.2 | Low | 93 Ų | 93 | 106.5 Ų | 106.5 | 35% | 0.351 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.8 | -33.4 | -179.8 | -152.2 | 173.8 | -169.6 | -159.8 | 2.1 | 113.5 | W201 L205 I206 H207 L211 L212 G213 | W201-R209 PolarHBondContact O-NH2 3.32Å; L205-R209 WeakPolarHBondContact O-CB 3.28Å; L205-R209 PolarHBondContact O-N 2.96Å; L205-R209 VanDerWaalsContact O-N 3.08Å; I206-R209 PolarHBondContact O-N 2.75Å; H207-R209 VanDerWaalsContact C-N 3.34Å; R209-L211 VanDerWaalsContact C-N 3.34Å; R209-L212 PolarHBondContact O-N 3.38Å; R209-G213 PolarHBondContact O-N 3.08Å |
| 210 | I | 50.7 | Low | 59.8 | Low | 25 Ų | 25 | 109.4 Ų | 109.4 | 13% | 0.128 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 177.1 | -65 | 175.2 | 0 | 0 | 0 | 110.8 | L160 I196 L208 L212 H234 V236 | L160-I210 HydrophobicContact CD2-CD1 3.24Å; L160-I210 HydrophobicContact CG-CD1 4.41Å; I196-I210 HydrophobicContact CD1-CG2 3.54Å; L208-I210 PolarHBondContact O-N 3.47Å; I210-L212 VanDerWaalsContact C-N 3.29Å; I210-L212 PolarHBondContact O-N 3.41Å; I210-H234 HydrophobicContact CG1-CB 4.5Å; I210-V236 HydrophobicContact CG2-CG2 3.73Å |
| 211 | L | 48 | Very low | 62 | Low | 146 Ų | 146 | 100.8 Ų | 100.8 | 76% | 0.764 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.3 | -22.6 | -180 | -92.8 | 140.5 | 0 | 0 | 0 | 113.9 | L208 R209 | L208-L211 PolarHBondContact O-N 2.71Å; R209-L211 VanDerWaalsContact C-N 3.34Å |
| 212 | L | 51.8 | Low | 64.6 | Low | 147 Ų | 147 | 90.3 Ų | 90.3 | 77% | 0.77 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -103.2 | -8 | -179 | -68.9 | 169.3 | 0 | 0 | 0 | 113.9 | R209 I210 | R209-L212 PolarHBondContact O-N 3.38Å; I210-L212 VanDerWaalsContact C-N 3.29Å; I210-L212 PolarHBondContact O-N 3.41Å |
| 213 | G | 63.9 | Low | 67.4 | Low | 18 Ų | 18 | 85.3 Ų | 85.3 | 19% | 0.186 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -72.3 | 151.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R209 Q215 | R209-G213 PolarHBondContact O-N 3.08Å; G213-Q215 PolarHBondContact O-N 2.94Å |
| 214 | K | 78.9 | Confident | 70.1 | Confident | 134 Ų | 134 | 86.5 Ų | 86.5 | 58% | 0.583 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 122 | 176 | -154 | 177.2 | -176.6 | -174.7 | 0 | 107.9 | F197 L216 Y225 | F197-K214 PolarHBondContact N-O 3Å; F197-K214 PolarHBondContact O-N 3.39Å; K214-L216 PolarHBondContact O-N 3.31Å; K214-Y225 HydrophobicContact CD-CD1 4.42Å; K214-Y225 HydrophobicContact CD-CE1 4.27Å |
| 215 | Q | 86.8 | Confident | 72.7 | Confident | 73 Ų | 73 | 79.8 Ų | 79.8 | 34% | 0.341 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 132.7 | 170.9 | -173.4 | -172.1 | -24.4 | 0 | 0 | 108.5 | R194 G213 | R194-Q215 HydrophobicContact CG-CG 4.18Å; G213-Q215 PolarHBondContact O-N 2.94Å |
| 216 | L | 91.7 | Very high | 74.9 | Confident | 3 Ų | 3 | 79.3 Ų | 79.3 | 2% | 0.016 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 126.6 | 176.2 | -55.6 | -174.1 | 0 | 0 | 0 | 109.3 | I175 L195 F197 K214 Y225 I227 L233 | I175-L216 HydrophobicContact CD1-CB 3.89Å; I175-L216 HydrophobicContact CD1-CD1 3.68Å; I175-L216 HydrophobicContact CD1-CG 4.31Å; I175-L216 HydrophobicContact CG1-CB 3.92Å; I175-L216 HydrophobicContact CG2-CB 4.05Å; L195-L216 HydrophobicContact CB-CB 4.24Å; L195-L216 HydrophobicContact CB-CD1 3.96Å; L195-L216 HydrophobicContact CB-CG 4.32Å; L195-L216 PolarHBondContact O-N 3.3Å; F197-L216 HydrophobicContact CB-CD1 4.14Å; F197-L216 HydrophobicContact CB-CD2 3.71Å; F197-L216 HydrophobicContact CB-CG 4.13Å; K214-L216 PolarHBondContact O-N 3.31Å; L216-Y225 HydrophobicContact CB-CE2 4.32Å; L216-Y225 HydrophobicContact CD2-CD1 3.61Å; L216-Y225 HydrophobicContact CD2-CD2 3.68Å; L216-Y225 HydrophobicContact CD2-CE1 3.81Å; L216-Y225 HydrophobicContact CD2-CE2 3.86Å; L216-Y225 HydrophobicContact CD2-CG 3.55Å; L216-I227 HydrophobicContact CD1-CD1 3.86Å; L216-I227 HydrophobicContact CD2-CD1 4.36Å; L216-L233 HydrophobicContact CD1-CD2 3.45Å; L216-L233 VanDerWaalsContact CD1-CD2 3.45Å; L216-L233 HydrophobicContact CD1-CG 4.22Å |
| 217 | E | 90.1 | Very high | 76.7 | Confident | 100 Ų | 100 | 73.5 Ų | 73.5 | 47% | 0.467 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -87 | 137.9 | 176.7 | -61 | 169.3 | 178.4 | 0 | 0 | 110.8 | I175 R220 Y225 | I175-E217 WeakPolarHBondContact CB-O 3.2Å; I175-E217 VanDerWaalsContact CG1-O 3.25Å; I175-E217 WeakPolarHBondContact CG1-O 3.17Å; E217-R220 HydrophobicContact CB-CG 4.44Å; E217-R220 IonicContact OE2-CZ 3.3Å; E217-R220 VanDerWaalsContact OE2-CZ 3.32Å; E217-R220 IonicContact OE2-NE 3.98Å; E217-R220 PolarHBondContact OE2-NE 3.45Å; E217-R220 IonicContact OE2-NH2 2.84Å; E217-R220 PolarHBondContact OE2-NH2 2.94Å; E217-Y225 VanDerWaalsContact CB-OH 3.32Å; E217-Y225 WeakPolarHBondContact CB-OH 3.44Å; E217-Y225 PolarHBondContact N-OH 3.09Å |
| 218 | D | 87.7 | Confident | 78.3 | Confident | 81 Ų | 81 | 72.5 Ų | 72.5 | 43% | 0.433 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 150.8 | 171.3 | -64.1 | -13.6 | 0 | 0 | 0 | 110.3 | D176 K179 R220 | D176-D218 WeakPolarHBondContact OD1-CB 3.12Å; K179-D218 WeakPolarHBondContact CE-OD1 3.45Å; K179-D218 IonicContact NZ-OD1 3.46Å; K179-D218 PolarHBondContact NZ-OD1 3.3Å; K179-D218 IonicContact NZ-OD2 3.03Å; K179-D218 PolarHBondContact NZ-OD2 3.32Å; D218-R220 PolarHBondContact O-N 2.91Å |
| 219 | G | 87.8 | Confident | 80.2 | Confident | 54 Ų | 54 | 73.4 Ų | 73.4 | 56% | 0.557 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -19.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115.9 | D176 | D176-G219 PolarHBondContact OD2-N 3.47Š|
| 220 | R | 92.3 | Very high | 82 | Confident | 105 Ų | 105 | 75.6 Ų | 75.6 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | trans | -83.2 | 154.7 | 173.1 | -64.7 | -149.2 | -158.4 | -146.6 | -2.3 | 111.8 | T174 I175 E217 D218 D224 Y225 | T174-R220 CarbonylContact C-O 3.59Å; T174-R220 WeakPolarHBondContact CA-O 3.19Å; I175-R220 WeakPolarHBondContact CG1-O 3.42Å; I175-R220 PolarHBondContact N-O 2.94Å; E217-R220 HydrophobicContact CB-CG 4.44Å; E217-R220 IonicContact OE2-CZ 3.3Å; E217-R220 VanDerWaalsContact OE2-CZ 3.32Å; E217-R220 IonicContact OE2-NE 3.98Å; E217-R220 PolarHBondContact OE2-NE 3.45Å; E217-R220 IonicContact OE2-NH2 2.84Å; E217-R220 PolarHBondContact OE2-NH2 2.94Å; D218-R220 PolarHBondContact O-N 2.91Å; R220-D224 HydrophobicContact CB-CB 4.29Å; R220-Y225 HydrophobicContact CB-CD2 4.42Å; R220-Y225 HydrophobicContact CB-CE2 3.55Å; R220-Y225 WeakPolarHBondContact CD-OH 3.11Å; R220-Y225 HydrophobicContact CG-CE2 4.3Å | ||
| 221 | T | 92.1 | Very high | 83.9 | Confident | 28 Ų | 28 | 75.3 Ų | 75.3 | 17% | 0.172 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -91.2 | 164.1 | 179.6 | 66.4 | 0 | 0 | 0 | 0 | 112.8 | S172 D173 T174 S223 D224 Y225 | S172-T221 WeakPolarHBondContact O-CG2 3.48Å; D173-T221 CarbonylContact O-C 3.53Å; D173-T221 VanDerWaalsContact O-CA 3.23Å; D173-T221 WeakPolarHBondContact O-CA 3.42Å; T174-T221 HydrophobicContact CG2-CG2 4.39Å; T221-S223 PolarHBondContact O-N 2.87Å; T221-S223 PolarHBondContact OG1-OG 3.4Å; T221-D224 PolarHBondContact N-OD2 2.68Å; T221-D224 WeakPolarHBondContact O-CB 3.47Å; T221-D224 PolarHBondContact O-N 3.1Å; T221-D224 PolarHBondContact OG1-N 3.23Å; T221-D224 VanDerWaalsContact OG1-N 3.15Å; T221-D224 PolarHBondContact OG1-OD2 3.47Å; T221-Y225 WeakPolarHBondContact O-CD2 3.39Å |
| 222 | L | 91.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -37.4 | 171 | -69.9 | -177.2 | 0 | 0 | 0 | 112.2 | M153 I155 V169 D173 I175 V178 Y225 N226 I227 | M153-L222 HydrophobicContact CE-CD1 4.18Å; I155-L222 HydrophobicContact CD1-CD1 4.22Å; I155-L222 HydrophobicContact CD1-CD2 4.37Å; V169-L222 HydrophobicContact CB-CD1 3.58Å; V169-L222 HydrophobicContact CG1-CD1 4.14Å; V169-L222 HydrophobicContact CG2-CD1 3.39Å; D173-L222 HydrophobicContact CB-CD1 4.29Å; D173-L222 PolarHBondContact O-N 3.43Å; I175-L222 HydrophobicContact CD1-CD2 4.12Å; V178-L222 HydrophobicContact CG2-CD1 4.14Å; V178-L222 HydrophobicContact CG2-CD2 3.94Å; V178-L222 HydrophobicContact CG2-CG 4.11Å; L222-Y225 PolarHBondContact O-N 2.95Å; L222-N226 PolarHBondContact O-N 3.09Å; L222-I227 HydrophobicContact CB-CB 4.2Å; L222-I227 HydrophobicContact CD2-CB 4.19Å; L222-I227 HydrophobicContact CD2-CD1 3.57Å; L222-I227 HydrophobicContact CD2-CG1 4.47Å; L222-I227 HydrophobicContact CD2-CG2 4.1Å; L222-I227 WeakPolarHBondContact O-CB 3.49Å; L222-I227 PolarHBondContact O-N 3.31Å |
| 223 | S | 88.8 | Confident | 87.8 | Confident | 63 Ų | 63 | 63.7 Ų | 63.7 | 44% | 0.441 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -67.3 | -33.4 | 177.2 | 43.3 | 0 | 0 | 0 | 0 | 113.1 | P171 T221 Y225 N226 | P171-S223 VanDerWaalsContact O-CB 3.3Å; P171-S223 WeakPolarHBondContact O-CB 3.36Å; P171-S223 PolarHBondContact O-N 3.32Å; P171-S223 PolarHBondContact O-OG 3.47Å; T221-S223 PolarHBondContact O-N 2.87Å; T221-S223 PolarHBondContact OG1-OG 3.4Å; S223-Y225 PolarHBondContact O-N 3.19Å; S223-Y225 VanDerWaalsContact O-N 3.17Å; S223-N226 PolarHBondContact O-N 2.95Å |
| 224 | D | 90.3 | Very high | 89 | Confident | 98 Ų | 98 | 64.7 Ų | 64.7 | 52% | 0.524 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -58.7 | -29 | 173.4 | -67.3 | -37.3 | 0 | 0 | 0 | 113.1 | R220 T221 | R220-D224 HydrophobicContact CB-CB 4.29Å; T221-D224 PolarHBondContact N-OD2 2.68Å; T221-D224 WeakPolarHBondContact O-CB 3.47Å; T221-D224 PolarHBondContact O-N 3.1Å; T221-D224 PolarHBondContact OG1-N 3.23Å; T221-D224 VanDerWaalsContact OG1-N 3.15Å; T221-D224 PolarHBondContact OG1-OD2 3.47Å |
| 225 | Y | 90.4 | Very high | 89.5 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 9% | 0.094 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -98.2 | 4.7 | 176.6 | -65.8 | -75.5 | 0 | 0 | 0 | 113.5 | I175 K214 L216 E217 R220 T221 L222 S223 I227 | I175-Y225 HydrophobicContact CD1-CD2 4.28Å; I175-Y225 HydrophobicContact CD1-CE2 4.26Å; I175-Y225 HydrophobicContact CG1-CE2 4.07Å; K214-Y225 HydrophobicContact CD-CD1 4.42Å; K214-Y225 HydrophobicContact CD-CE1 4.27Å; L216-Y225 HydrophobicContact CB-CE2 4.32Å; L216-Y225 HydrophobicContact CD2-CD1 3.61Å; L216-Y225 HydrophobicContact CD2-CD2 3.68Å; L216-Y225 HydrophobicContact CD2-CE1 3.81Å; L216-Y225 HydrophobicContact CD2-CE2 3.86Å; L216-Y225 HydrophobicContact CD2-CG 3.55Å; E217-Y225 VanDerWaalsContact CB-OH 3.32Å; E217-Y225 WeakPolarHBondContact CB-OH 3.44Å; E217-Y225 PolarHBondContact N-OH 3.09Å; R220-Y225 HydrophobicContact CB-CD2 4.42Å; R220-Y225 HydrophobicContact CB-CE2 3.55Å; R220-Y225 WeakPolarHBondContact CD-OH 3.11Å; R220-Y225 HydrophobicContact CG-CE2 4.3Å; T221-Y225 WeakPolarHBondContact O-CD2 3.39Å; L222-Y225 PolarHBondContact O-N 2.95Å; S223-Y225 PolarHBondContact O-N 3.19Å; S223-Y225 VanDerWaalsContact O-N 3.17Å; Y225-I227 PolarHBondContact O-N 3.09Å |
| 226 | N | 90.1 | Very high | 89.4 | Confident | 108 Ų | 108 | 56.5 Ų | 56.5 | 58% | 0.578 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 40.4 | -173.4 | -168 | 24.4 | 0 | 0 | 0 | 112.1 | L222 S223 Q228 | L222-N226 PolarHBondContact O-N 3.09Å; S223-N226 PolarHBondContact O-N 2.95Å; N226-Q228 PolarHBondContact O-N 2.93Å; N226-Q228 PolarHBondContact OD1-NE2 3.25Å; N226-Q228 VanDerWaalsContact OD1-NE2 3.09Å |
| 227 | I | 89.2 | Confident | 88.9 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | trans | -75.3 | 122.1 | 172 | -65.8 | 169.4 | 0 | 0 | 0 | 106.4 | M153 I155 F197 L216 L222 Y225 L233 | M153-I227 HydrophobicContact CE-CG2 4.08Å; M153-I227 WeakPolarHBondContact CE-O 3.5Å; I155-I227 HydrophobicContact CG2-CG2 3.91Å; F197-I227 HydrophobicContact CB-CD1 4.4Å; F197-I227 HydrophobicContact CD1-CD1 4.14Å; F197-I227 HydrophobicContact CD1-CG1 3.6Å; F197-I227 HydrophobicContact CD2-CG1 4.3Å; F197-I227 HydrophobicContact CE1-CG1 3.6Å; F197-I227 HydrophobicContact CE2-CG1 4.32Å; F197-I227 HydrophobicContact CG-CD1 4.16Å; F197-I227 HydrophobicContact CG-CG1 3.96Å; F197-I227 HydrophobicContact CZ-CG1 3.98Å; L216-I227 HydrophobicContact CD1-CD1 3.86Å; L216-I227 HydrophobicContact CD2-CD1 4.36Å; L222-I227 HydrophobicContact CB-CB 4.2Å; L222-I227 HydrophobicContact CD2-CB 4.19Å; L222-I227 HydrophobicContact CD2-CD1 3.57Å; L222-I227 HydrophobicContact CD2-CG1 4.47Å; L222-I227 HydrophobicContact CD2-CG2 4.1Å; L222-I227 WeakPolarHBondContact O-CB 3.49Å; L222-I227 PolarHBondContact O-N 3.31Å; Y225-I227 PolarHBondContact O-N 3.09Å; I227-L233 HydrophobicContact CD1-CD1 4.46Å; I227-L233 HydrophobicContact CD1-CD2 4.29Å; I227-L233 HydrophobicContact CD1-CG 4.45Å; I227-L233 HydrophobicContact CG2-CD1 4.13Å | ||
| 228 | Q | 87.2 | Confident | 88.2 | Confident | 117 Ų | 117 | 60.5 Ų | 60.5 | 55% | 0.547 | 31% | 0.314 | S | S | . | . | trans | -110.9 | 172.4 | -177.7 | -60.5 | -167.8 | -5.9 | 0 | 0 | 111.3 | N226 E230 S231 | N226-Q228 PolarHBondContact O-N 2.93Å; N226-Q228 PolarHBondContact OD1-NE2 3.25Å; N226-Q228 VanDerWaalsContact OD1-NE2 3.09Å; Q228-E230 PolarHBondContact O-N 2.89Å; Q228-S231 PolarHBondContact N-OG 2.94Å; Q228-S231 WeakPolarHBondContact O-CB 3.38Å; Q228-S231 PolarHBondContact O-N 3.47Å; Q228-S231 PolarHBondContact O-OG 2.89Å | ||
| 229 | K | 86.1 | Confident | 87.1 | Confident | 119 Ų | 119 | 64.6 Ų | 64.6 | 52% | 0.517 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 135.9 | 172.4 | -166.8 | 171.3 | -179.6 | 163.8 | 0 | 111 | M153 S231 | M153-K229 HydrophobicContact CG-CB 4.2Å; K229-S231 PolarHBondContact O-N 3.41Å |
| 230 | E | 86.8 | Confident | 85.9 | Confident | 138 Ų | 138 | 71.8 Ų | 71.8 | 65% | 0.645 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 11.1 | -175.1 | -56.5 | -170.8 | 172.4 | 0 | 0 | 116.2 | Q154 F156 Q228 | Q154-E230 WeakPolarHBondContact O-CA 3.28Å; Q154-E230 PolarHBondContact O-N 3.2Å; F156-E230 HydrophobicContact CE2-CB 3.89Å; F156-E230 HydrophobicContact CE2-CG 4.14Å; Q228-E230 PolarHBondContact O-N 2.89Å |
| 231 | S | 90.8 | Very high | 84.2 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | trans | -61.5 | 144.7 | 172.6 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | I155 F156 Q228 K229 | I155-S231 WeakPolarHBondContact CA-O 3.22Å; F156-S231 PolarHBondContact N-O 2.99Å; Q228-S231 PolarHBondContact N-OG 2.94Å; Q228-S231 WeakPolarHBondContact O-CB 3.38Å; Q228-S231 PolarHBondContact O-N 3.47Å; Q228-S231 PolarHBondContact O-OG 2.89Å; K229-S231 PolarHBondContact O-N 3.41Å | ||
| 232 | T | 89.5 | Confident | 83.2 | Confident | 48 Ų | 48 | 67.5 Ų | 67.5 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.1 | 176.7 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | F156 K158 | F156-T232 HydrophobicContact CB-CG2 4.35Å; F156-T232 CarbonylContact O-C 3.58Å; F156-T232 VanDerWaalsContact O-CA 3.27Å; F156-T232 WeakPolarHBondContact O-CA 3.28Å; K158-T232 HydrophobicContact CB-CG2 4.33Å; K158-T232 HydrophobicContact CD-CG2 4.02Å; K158-T232 HydrophobicContact CG-CG2 3.93Å |
| 233 | L | 91.3 | Very high | 83 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 155.5 | 168.6 | -66 | 72.6 | 0 | 0 | 0 | 109.4 | I155 F156 V157 K158 L195 F197 L216 I227 | I155-L233 HydrophobicContact CB-CD1 4.18Å; I155-L233 HydrophobicContact CD1-CD1 3.82Å; I155-L233 HydrophobicContact CD1-CD2 4.38Å; I155-L233 HydrophobicContact CG1-CD1 4.46Å; F156-L233 PolarHBondContact O-N 3.2Å; V157-L233 WeakPolarHBondContact CA-O 3.42Å; V157-L233 HydrophobicContact CG2-CB 4.38Å; K158-L233 PolarHBondContact N-O 3.28Å; L195-L233 HydrophobicContact CB-CD2 4.48Å; L195-L233 HydrophobicContact CD1-CD2 4.29Å; L195-L233 HydrophobicContact CD2-CD2 4.46Å; F197-L233 HydrophobicContact CD2-CG 4.43Å; L216-L233 HydrophobicContact CD1-CD2 3.45Å; L216-L233 VanDerWaalsContact CD1-CD2 3.45Å; L216-L233 HydrophobicContact CD1-CG 4.22Å; I227-L233 HydrophobicContact CD1-CD1 4.46Å; I227-L233 HydrophobicContact CD1-CD2 4.29Å; I227-L233 HydrophobicContact CD1-CG 4.45Å; I227-L233 HydrophobicContact CG2-CD1 4.13Å |
| 234 | H | 89.3 | Confident | 83.1 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 18% | 0.181 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.4 | 175.2 | -66.9 | 37.2 | 0 | 0 | 0 | 109 | K158 I196 I210 | K158-H234 CarbonylContact O-C 3.6Å; K158-H234 WeakPolarHBondContact O-CA 3.44Å; I196-H234 HydrophobicContact CB-CB 4.49Å; I196-H234 PolarHBondContact N-O 2.92Å; I196-H234 PolarHBondContact O-N 3Å; I210-H234 HydrophobicContact CG1-CB 4.5Å |
| 235 | L | 89.2 | Confident | 83.3 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 120.5 | 176.7 | 176.8 | 63.1 | 0 | 0 | 0 | 109.7 | V157 K158 T159 I182 I188 Q193 L195 L237 | V157-L235 HydrophobicContact CG1-CB 3.57Å; V157-L235 HydrophobicContact CG1-CD2 4.49Å; K158-L235 PolarHBondContact O-N 2.93Å; T159-L235 HydrophobicContact CG2-CD2 4.38Å; I182-L235 HydrophobicContact CG2-CD2 4.11Å; I188-L235 HydrophobicContact CD1-CD2 4.01Å; Q193-L235 HydrophobicContact CB-CD1 3.71Å; Q193-L235 HydrophobicContact CG-CD1 3.92Å; L195-L235 HydrophobicContact CD2-CB 4.29Å; L195-L235 HydrophobicContact CD2-CD1 4.07Å; L235-L237 HydrophobicContact CD1-CD2 4.33Å; L235-L237 HydrophobicContact CD2-CD2 4.1Å; L235-L237 HydrophobicContact CG-CD2 4.1Å |
| 236 | V | 84.9 | Confident | 83.6 | Confident | 31 Ų | 31 | 64.1 Ų | 64.1 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.8 | 171 | 180 | 0 | 0 | 0 | 0 | 108.1 | L160 R194 I196 I210 | L160-V236 HydrophobicContact CD1-CG1 4.34Å; L160-V236 HydrophobicContact CD1-CG2 4.45Å; R194-V236 HydrophobicContact CB-CB 4.33Å; R194-V236 VanDerWaalsContact CB-O 3.24Å; R194-V236 WeakPolarHBondContact CB-O 3.42Å; R194-V236 PolarHBondContact N-O 3.24Å; R194-V236 PolarHBondContact O-N 3.38Å; I196-V236 HydrophobicContact CD1-CB 4.46Å; I196-V236 HydrophobicContact CD1-CG2 3.69Å; I210-V236 HydrophobicContact CG2-CG2 3.73Å |
| 237 | L | 82.2 | Confident | 84 | Confident | 94 Ų | 94 | 59 Ų | 59 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 130 | 178.4 | -58.5 | -179.8 | 0 | 0 | 0 | 110.1 | I188 Q192 L235 | I188-L237 HydrophobicContact CD1-CD2 4.15Å; I188-L237 HydrophobicContact CG2-CD2 3.63Å; Q192-L237 CarbonylContact O-C 3.57Å; Q192-L237 WeakPolarHBondContact O-CA 3.28Å; L235-L237 HydrophobicContact CD1-CD2 4.33Å; L235-L237 HydrophobicContact CD2-CD2 4.1Å; L235-L237 HydrophobicContact CG-CD2 4.1Å |
| 238 | R | 74.6 | Confident | 84.2 | Confident | 94 Ų | 94 | 62.8 Ų | 62.8 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | trans | -80.9 | 129.5 | 170.3 | -72.6 | -178.8 | 150.6 | 131.4 | -9.8 | 109.1 | Q192 R194 R240 | Q192-R238 PolarHBondContact O-N 3.48Å; R194-R238 HydrophobicContact CB-CG 4.5Å; R238-R240 VanDerWaalsContact C-N 3.27Å; R238-R240 PolarHBondContact O-N 3.43Å | ||
| 239 | L | 64.2 | Low | 84.3 | Confident | 167 Ų | 167 | 58.3 Ų | 58.3 | 87% | 0.874 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -21.4 | 177 | -68.5 | 168.8 | 0 | 0 | 0 | 113.4 | ||
| 240 | R | 62.7 | Low | 84.1 | Confident | 205 Ų | 205 | 59.2 Ų | 59.2 | 77% | 0.774 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.1 | 58.5 | -174.4 | -65.7 | -170.6 | -166.5 | -179.4 | 4.4 | 113 | R238 E258 | R238-R240 VanDerWaalsContact C-N 3.27Å; R238-R240 PolarHBondContact O-N 3.43Å; R240-E258 WeakPolarHBondContact CA-OE1 3.32Å |
| 241 | G | 58.2 | Low | 83.9 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 37% | 0.371 | 30% | 0.3 | S | S | . | . | trans | -89.5 | -26.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 242 | G | 70.8 | Confident | 83.6 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 6% | 0.062 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -104.6 | -174.1 | -159.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | D191 Q244 E258 | D191-G242 WeakPolarHBondContact OD2-CA 3.42Å; G242-Q244 PolarHBondContact O-N 3.24Å; G242-E258 WeakPolarHBondContact CA-OE2 3.24Å; G242-E258 PolarHBondContact N-OE2 3.15Å; G242-E258 VanDerWaalsContact N-OE2 3.1Å |
| 243 | M | 87.2 | Confident | 83.7 | Confident | 28 Ų | 28 | 63 Ų | 63 | 14% | 0.138 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 117.7 | 167.7 | 169.6 | 178.6 | 159.7 | 0 | 0 | 108.1 | I245 V259 P261 I303 K305 | M243-I245 HydrophobicContact CE-CG2 3.99Å; M243-V259 WeakPolarHBondContact CB-O 3.37Å; M243-V259 HydrophobicContact CE-CG2 4.3Å; M243-V259 HydrophobicContact CG-CG2 4.17Å; M243-V259 WeakPolarHBondContact O-CG2 3.47Å; M243-V259 PolarHBondContact O-N 2.84Å; M243-P261 HydrophobicContact SD-CG 3.81Å; M243-I303 HydrophobicContact CE-CG2 4.25Å; M243-I303 WeakPolarHBondContact CE-O 3.5Å; M243-K305 HydrophobicContact CG-CB 4.08Å |
| 244 | Q | 90.6 | Very high | 83.7 | Confident | 32 Ų | 32 | 66 Ų | 66 | 15% | 0.15 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 142.9 | 174.9 | -71.2 | 173.7 | 12.7 | 0 | 0 | 110.1 | G242 T256 L257 E258 E306 | G242-Q244 PolarHBondContact O-N 3.24Å; Q244-T256 HydrophobicContact CB-CG2 4.19Å; Q244-T256 HydrophobicContact CG-CG2 4.22Å; Q244-L257 CarbonylContact C-O 3.5Å; Q244-L257 VanDerWaalsContact CA-O 3.26Å; Q244-L257 WeakPolarHBondContact CA-O 3.28Å; Q244-E258 VanDerWaalsContact CD-OE1 3.29Å; Q244-E258 WeakPolarHBondContact CG-OE1 3.44Å; Q244-E258 PolarHBondContact NE2-OE1 3.48Å; Q244-E306 PolarHBondContact O-N 3.38Å |
| 245 | I | 95.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 158.7 | 166.4 | 63 | 172 | 0 | 0 | 0 | 109.7 | M243 L257 V259 V268 L298 I303 L309 | M243-I245 HydrophobicContact CE-CG2 3.99Å; I245-L257 HydrophobicContact CG1-CB 4.01Å; I245-L257 PolarHBondContact N-O 2.81Å; I245-L257 PolarHBondContact O-N 2.85Å; I245-V259 HydrophobicContact CB-CG2 4.32Å; I245-V259 HydrophobicContact CD1-CG1 3.9Å; I245-V259 HydrophobicContact CD1-CG2 4.03Å; I245-V259 HydrophobicContact CG1-CG1 4Å; I245-V259 HydrophobicContact CG1-CG2 3.82Å; I245-V259 HydrophobicContact CG2-CG2 3.74Å; I245-V268 HydrophobicContact CD1-CG1 4.26Å; I245-L298 HydrophobicContact CD1-CD1 4.29Å; I245-L298 HydrophobicContact CD1-CD2 4.36Å; I245-I303 HydrophobicContact CG2-CG2 3.91Å; I245-L309 HydrophobicContact CB-CD1 4.48Å; I245-L309 HydrophobicContact CD1-CD1 4.15Å; I245-L309 HydrophobicContact CD1-CD2 4.27Å |
| 246 | F | 96.7 | Very high | 84 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 24% | 0.237 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 137.9 | 176.6 | -57.1 | -70.9 | 0 | 0 | 0 | 110.1 | T254 I255 T256 E306 S307 T308 L309 | F246-T254 HydrophobicContact CB-CG2 3.96Å; F246-T254 HydrophobicContact CD1-CG2 4.03Å; F246-T254 HydrophobicContact CG-CG2 4.33Å; F246-I255 CarbonylContact C-O 3.58Å; F246-I255 WeakPolarHBondContact CA-O 3.44Å; F246-T256 HydrophobicContact CD1-CG2 4.26Å; F246-T256 HydrophobicContact CE1-CG2 4Å; F246-T256 WeakPolarHBondContact CE1-OG1 3.27Å; F246-E306 HydrophobicContact CD2-CB 4.49Å; F246-E306 WeakPolarHBondContact CD2-O 3.49Å; F246-E306 HydrophobicContact CE2-CB 3.83Å; F246-E306 HydrophobicContact CE2-CG 3.9Å; F246-E306 HydrophobicContact CZ-CG 4.4Å; F246-S307 PolarHBondContact N-O 3.15Å; F246-T308 HydrophobicContact CB-CG2 4.43Å; F246-T308 CarbonylContact O-C 3.6Å; F246-T308 WeakPolarHBondContact O-CA 3.19Å; F246-L309 PolarHBondContact O-N 2.9Å |
| 247 | V | 96.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 113.8 | 173.5 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | I255 L257 I272 L285 L309 L311 | V247-I255 HydrophobicContact CB-CB 4.34Å; V247-I255 PolarHBondContact N-O 2.81Å; V247-I255 PolarHBondContact O-N 2.9Å; V247-L257 HydrophobicContact CG2-CD1 3.6Å; V247-L257 HydrophobicContact CG2-CG 4.25Å; V247-I272 HydrophobicContact CG1-CD1 4.2Å; V247-I272 HydrophobicContact CG2-CD1 4.2Å; V247-L285 HydrophobicContact CG1-CD2 4.09Å; V247-L309 CarbonylContact C-O 3.51Å; V247-L309 WeakPolarHBondContact CA-O 3.33Å; V247-L309 HydrophobicContact CG2-CB 4.38Å; V247-L311 HydrophobicContact CG1-CB 3.53Å; V247-L311 HydrophobicContact CG1-CD2 4.34Å; V247-L311 HydrophobicContact CG1-CG 4.5Å |
| 248 | K | 95 | Very high | 84.6 | Confident | 87 Ų | 87 | 62.3 Ų | 62.3 | 38% | 0.378 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.6 | 176.8 | -76.8 | -171.1 | 179.9 | -179 | 0 | 110.9 | K253 T254 T308 L309 H310 L311 | K248-K253 WeakPolarHBondContact CA-O 3.37Å; K248-T254 WeakPolarHBondContact CE-OG1 3.34Å; K248-T254 HydrophobicContact CG-CG2 4.14Å; K248-T254 WeakPolarHBondContact CG-OG1 3.44Å; K248-T308 HydrophobicContact CB-CG2 4.28Å; K248-T308 HydrophobicContact CD-CG2 3.84Å; K248-T308 HydrophobicContact CG-CG2 3.81Å; K248-L309 PolarHBondContact N-O 3.36Å; K248-H310 CarbonylContact O-C 3.57Å; K248-H310 WeakPolarHBondContact O-CA 3.33Å; K248-L311 PolarHBondContact O-N 3.3Å |
| 249 | T | 89.5 | Confident | 85.4 | Confident | 23 Ų | 23 | 58 Ų | 58 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 163.6 | 170.2 | 68.3 | 0 | 0 | 0 | 0 | 110.5 | T251 G252 K253 I255 L311 | T249-T251 PolarHBondContact O-N 3.34Å; T249-T251 PolarHBondContact OG1-N 2.93Å; T249-T251 PolarHBondContact OG1-OG1 2.9Å; T249-G252 PolarHBondContact O-N 3.14Å; T249-K253 HydrophobicContact CG2-CB 4.3Å; T249-K253 PolarHBondContact N-O 2.61Å; T249-K253 WeakPolarHBondContact OG1-CB 3.42Å; T249-K253 PolarHBondContact OG1-N 2.85Å; T249-K253 VanDerWaalsContact OG1-N 3.17Å; T249-K253 PolarHBondContact OG1-O 2.74Å; T249-I255 HydrophobicContact CG2-CD1 4.13Å; T249-L311 HydrophobicContact CG2-CD2 4.44Å |
| 250 | L | 81.4 | Confident | 86.5 | Confident | 138 Ų | 138 | 51.8 Ų | 51.8 | 72% | 0.723 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21 | 172 | -65.8 | 176.2 | 0 | 0 | 0 | 113.5 | G252 V312 | L250-G252 PolarHBondContact O-N 3.06Å; L250-V312 HydrophobicContact CD1-CG1 4.32Å; L250-V312 HydrophobicContact CD1-CG2 4.43Å; L250-V312 HydrophobicContact CD2-CG2 4.41Å |
| 251 | T | 82.6 | Confident | 87.9 | Confident | 129 Ų | 129 | 45.2 Ų | 45.2 | 79% | 0.791 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -5.9 | 174.5 | 59.9 | 0 | 0 | 0 | 0 | 113 | T249 | T249-T251 PolarHBondContact O-N 3.34Å; T249-T251 PolarHBondContact OG1-N 2.93Å; T249-T251 PolarHBondContact OG1-OG1 2.9Å |
| 252 | G | 83.7 | Confident | 89.5 | Confident | 53 Ų | 53 | 46.9 Ų | 46.9 | 55% | 0.546 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 89.6 | -4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T249 L250 T254 | T249-G252 PolarHBondContact O-N 3.14Å; L250-G252 PolarHBondContact O-N 3.06Å; G252-T254 PolarHBondContact O-N 2.92Å |
| 253 | K | 90.7 | Very high | 90.5 | Very high | 102 Ų | 102 | 47.4 Ų | 47.4 | 44% | 0.443 | 27% | 0.269 | S | S | . | . | trans | -64 | 132.9 | 173.7 | -174.1 | -179.7 | 175.4 | -173 | 0 | 109.3 | K248 T249 E276 | K248-K253 WeakPolarHBondContact CA-O 3.37Å; T249-K253 HydrophobicContact CG2-CB 4.3Å; T249-K253 PolarHBondContact N-O 2.61Å; T249-K253 WeakPolarHBondContact OG1-CB 3.42Å; T249-K253 PolarHBondContact OG1-N 2.85Å; T249-K253 VanDerWaalsContact OG1-N 3.17Å; T249-K253 PolarHBondContact OG1-O 2.74Å; K253-E276 WeakPolarHBondContact CE-OE1 3.11Å; K253-E276 IonicContact NZ-OE1 2.99Å; K253-E276 PolarHBondContact NZ-OE1 2.81Å; K253-E276 IonicContact NZ-OE2 2.73Å; K253-E276 PolarHBondContact NZ-OE2 2.92Å | ||
| 254 | T | 92.4 | Very high | 90.9 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 39% | 0.387 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.8 | 176.3 | -54.9 | 0 | 0 | 0 | 0 | 109.4 | F246 K248 G252 | F246-T254 HydrophobicContact CB-CG2 3.96Å; F246-T254 HydrophobicContact CD1-CG2 4.03Å; F246-T254 HydrophobicContact CG-CG2 4.33Å; K248-T254 WeakPolarHBondContact CE-OG1 3.34Å; K248-T254 HydrophobicContact CG-CG2 4.14Å; K248-T254 WeakPolarHBondContact CG-OG1 3.44Å; G252-T254 PolarHBondContact O-N 2.92Å |
| 255 | I | 92.1 | Very high | 91.2 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 130 | 177.4 | -55.1 | 150.3 | 0 | 0 | 0 | 107.4 | F246 V247 T249 L257 K275 E276 | F246-I255 CarbonylContact C-O 3.58Å; F246-I255 WeakPolarHBondContact CA-O 3.44Å; V247-I255 HydrophobicContact CB-CB 4.34Å; V247-I255 PolarHBondContact N-O 2.81Å; V247-I255 PolarHBondContact O-N 2.9Å; T249-I255 HydrophobicContact CG2-CD1 4.13Å; I255-L257 HydrophobicContact CG2-CD2 4.1Å; I255-L257 HydrophobicContact CG2-CG 4.49Å; I255-K275 HydrophobicContact CG2-CD 4.22Å; I255-E276 HydrophobicContact CD1-CG 3.62Å; I255-E276 HydrophobicContact CG1-CG 4.03Å; I255-E276 HydrophobicContact CG2-CG 4.43Å |
| 256 | T | 92.8 | Very high | 91.2 | Very high | 52 Ų | 52 | 51.6 Ų | 51.6 | 32% | 0.319 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 129 | 174.3 | -54.3 | 0 | 0 | 0 | 0 | 109.6 | Q244 F246 K275 | Q244-T256 HydrophobicContact CB-CG2 4.19Å; Q244-T256 HydrophobicContact CG-CG2 4.22Å; F246-T256 HydrophobicContact CD1-CG2 4.26Å; F246-T256 HydrophobicContact CE1-CG2 4Å; F246-T256 WeakPolarHBondContact CE1-OG1 3.27Å; T256-K275 PolarHBondContact O-NZ 3.32Å |
| 257 | L | 91.3 | Very high | 91 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 139.1 | 176.5 | -60.2 | 176.5 | 0 | 0 | 0 | 110.4 | Q244 I245 V247 I255 V259 V268 K271 I272 K275 | Q244-L257 CarbonylContact C-O 3.5Å; Q244-L257 VanDerWaalsContact CA-O 3.26Å; Q244-L257 WeakPolarHBondContact CA-O 3.28Å; I245-L257 HydrophobicContact CG1-CB 4.01Å; I245-L257 PolarHBondContact N-O 2.81Å; I245-L257 PolarHBondContact O-N 2.85Å; V247-L257 HydrophobicContact CG2-CD1 3.6Å; V247-L257 HydrophobicContact CG2-CG 4.25Å; I255-L257 HydrophobicContact CG2-CD2 4.1Å; I255-L257 HydrophobicContact CG2-CG 4.49Å; L257-V259 HydrophobicContact CB-CG1 4.07Å; L257-V268 HydrophobicContact CD1-CG1 3.91Å; L257-K271 HydrophobicContact CD2-CB 4.31Å; L257-I272 HydrophobicContact CD1-CD1 4.09Å; L257-I272 HydrophobicContact CD1-CG1 3.55Å; L257-I272 HydrophobicContact CD2-CG1 4.38Å; L257-K275 HydrophobicContact CD2-CD 3.91Å |
| 258 | E | 88.5 | Confident | 90.9 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 15% | 0.15 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 123.3 | 167.8 | -64.5 | -76.4 | 160.5 | 0 | 0 | 108 | R240 G242 Q244 K271 | R240-E258 WeakPolarHBondContact CA-OE1 3.32Å; G242-E258 WeakPolarHBondContact CA-OE2 3.24Å; G242-E258 PolarHBondContact N-OE2 3.15Å; G242-E258 VanDerWaalsContact N-OE2 3.1Å; Q244-E258 VanDerWaalsContact CD-OE1 3.29Å; Q244-E258 WeakPolarHBondContact CG-OE1 3.44Å; Q244-E258 PolarHBondContact NE2-OE1 3.48Å; E258-K271 PolarHBondContact O-NZ 3.24Å |
| 259 | V | 90.7 | Very high | 90.9 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 158.7 | -171.8 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | M243 I245 L257 D263 V268 K271 L298 | M243-V259 WeakPolarHBondContact CB-O 3.37Å; M243-V259 HydrophobicContact CE-CG2 4.3Å; M243-V259 HydrophobicContact CG-CG2 4.17Å; M243-V259 WeakPolarHBondContact O-CG2 3.47Å; M243-V259 PolarHBondContact O-N 2.84Å; I245-V259 HydrophobicContact CB-CG2 4.32Å; I245-V259 HydrophobicContact CD1-CG1 3.9Å; I245-V259 HydrophobicContact CD1-CG2 4.03Å; I245-V259 HydrophobicContact CG1-CG1 4Å; I245-V259 HydrophobicContact CG1-CG2 3.82Å; I245-V259 HydrophobicContact CG2-CG2 3.74Å; L257-V259 HydrophobicContact CB-CG1 4.07Å; V259-D263 VanDerWaalsContact CA-OD2 3.26Å; V259-D263 WeakPolarHBondContact CA-OD2 3.49Å; V259-D263 WeakPolarHBondContact CB-OD2 3.44Å; V259-V268 HydrophobicContact CG1-CG2 4.28Å; V259-K271 HydrophobicContact CG1-CD 4.31Å; V259-L298 HydrophobicContact CB-CD1 3.59Å; V259-L298 HydrophobicContact CG1-CD1 4.11Å; V259-L298 HydrophobicContact CG2-CD1 3.49Å; V259-L298 VanDerWaalsContact CG2-CD1 3.49Å |
| 260 | E | 88.5 | Confident | 91 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | trans | -105.6 | 150.1 | 167.2 | -65.7 | -175.1 | 167.2 | 0 | 0 | 110 | P189 S262 D263 | P189-E260 WeakPolarHBondContact CB-OE1 3.21Å; E260-S262 WeakPolarHBondContact CB-OG 3.29Å; E260-S262 PolarHBondContact O-N 3.25Å; E260-S262 VanDerWaalsContact O-N 3.1Å; E260-S262 PolarHBondContact OE2-OG 2.83Å; E260-D263 PolarHBondContact N-OD2 3.39Å; E260-D263 VanDerWaalsContact O-CB 3.27Å; E260-D263 WeakPolarHBondContact O-CB 3.37Å; E260-D263 PolarHBondContact O-N 3.28Å | ||
| 261 | P | 91.4 | Very high | 91.5 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 43% | 0.429 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -27.7 | 175.3 | -24.3 | 32.7 | 0 | 0 | 0 | 114 | M243 D263 L298 S299 | M243-P261 HydrophobicContact SD-CG 3.81Å; P261-D263 VanDerWaalsContact C-N 3.34Å; P261-L298 PolarHBondContact O-N 2.87Å; P261-S299 WeakPolarHBondContact O-CB 3.36Å; P261-S299 PolarHBondContact O-N 3.11Å |
| 262 | S | 90.6 | Very high | 92.1 | Very high | 72 Ų | 72 | 40.4 Ų | 40.4 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -13.9 | 175.6 | 37.5 | 0 | 0 | 0 | 0 | 114.2 | E260 T264 T297 | E260-S262 WeakPolarHBondContact CB-OG 3.29Å; E260-S262 PolarHBondContact O-N 3.25Å; E260-S262 VanDerWaalsContact O-N 3.1Å; E260-S262 PolarHBondContact OE2-OG 2.83Å; S262-T264 PolarHBondContact O-N 3.3Å; S262-T297 WeakPolarHBondContact O-CG2 3.47Å |
| 263 | D | 91.9 | Very high | 92.4 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | trans | -59.9 | 130.3 | 179.3 | -80.7 | -24.8 | 0 | 0 | 0 | 110.1 | V259 E260 P261 N267 V268 K271 T297 L298 | V259-D263 VanDerWaalsContact CA-OD2 3.26Å; V259-D263 WeakPolarHBondContact CA-OD2 3.49Å; V259-D263 WeakPolarHBondContact CB-OD2 3.44Å; E260-D263 PolarHBondContact N-OD2 3.39Å; E260-D263 VanDerWaalsContact O-CB 3.27Å; E260-D263 WeakPolarHBondContact O-CB 3.37Å; E260-D263 PolarHBondContact O-N 3.28Å; P261-D263 VanDerWaalsContact C-N 3.34Å; D263-N267 HydrophobicContact CB-CB 4.45Å; D263-V268 HydrophobicContact CB-CG2 4.25Å; D263-K271 IonicContact OD1-NZ 3.49Å; D263-K271 IonicContact OD2-NZ 2.69Å; D263-K271 PolarHBondContact OD2-NZ 3.44Å; D263-T297 CarbonylContact O-C 3.59Å; D263-T297 WeakPolarHBondContact O-CA 3.42Å; D263-L298 HydrophobicContact CB-CD1 4.24Å; D263-L298 HydrophobicContact CB-CG 4.49Å; D263-L298 PolarHBondContact O-N 3.46Å | ||
| 264 | T | 95.8 | Very high | 92.1 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 22% | 0.221 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -70.7 | 156.7 | 170.2 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | S262 E266 N267 V268 R296 | S262-T264 PolarHBondContact O-N 3.3Å; T264-E266 PolarHBondContact O-N 3.45Å; T264-N267 WeakPolarHBondContact O-CB 3.32Å; T264-N267 PolarHBondContact O-N 2.81Å; T264-N267 VanDerWaalsContact O-N 3.1Å; T264-N267 PolarHBondContact OG1-N 3.24Å; T264-N267 PolarHBondContact OG1-OD1 2.84Å; T264-V268 WeakPolarHBondContact O-CG2 3.43Å; T264-V268 PolarHBondContact O-N 2.89Å; T264-R296 CarbonylContact C-O 3.56Å; T264-R296 WeakPolarHBondContact CA-O 3.3Å |
| 265 | I | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.6 | -32.5 | 174.9 | -60.7 | -56.3 | 0 | 0 | 0 | 111 | V268 K269 L285 L292 E293 D294 R296 L298 Y301 | I265-V268 PolarHBondContact O-N 2.88Å; I265-K269 WeakPolarHBondContact O-CG 3.24Å; I265-K269 PolarHBondContact O-N 2.91Å; I265-L285 HydrophobicContact CG2-CD1 4.24Å; I265-L292 HydrophobicContact CB-CB 4.5Å; I265-L292 HydrophobicContact CD1-CB 3.9Å; I265-L292 HydrophobicContact CD1-CD1 3.64Å; I265-L292 HydrophobicContact CD1-CG 4.29Å; I265-L292 HydrophobicContact CG1-CB 3.89Å; I265-L292 HydrophobicContact CG2-CB 3.81Å; I265-E293 WeakPolarHBondContact CB-O 3.37Å; I265-E293 VanDerWaalsContact CG1-O 3.29Å; I265-E293 WeakPolarHBondContact CG1-O 3.23Å; I265-D294 PolarHBondContact N-O 3.1Å; I265-R296 WeakPolarHBondContact CG1-O 3.5Å; I265-R296 PolarHBondContact N-O 3.25Å; I265-L298 HydrophobicContact CD1-CD2 3.9Å; I265-Y301 HydrophobicContact CD1-CD2 4.42Å; I265-Y301 HydrophobicContact CG1-CE2 4.21Å |
| 266 | E | 94.9 | Very high | 91.7 | Very high | 111 Ų | 111 | 46.7 Ų | 46.7 | 52% | 0.519 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.3 | -48.6 | 170.3 | -169.2 | 170.2 | -167.3 | 0 | 0 | 112.1 | T264 V268 K269 T270 D294 | T264-E266 PolarHBondContact O-N 3.45Å; E266-V268 VanDerWaalsContact C-N 3.27Å; E266-V268 PolarHBondContact O-N 3.38Å; E266-K269 WeakPolarHBondContact O-CB 3.39Å; E266-K269 PolarHBondContact O-N 3.11Å; E266-T270 PolarHBondContact O-N 2.82Å; E266-T270 PolarHBondContact O-OG1 3.02Å; E266-D294 HydrophobicContact CB-CB 4.26Å; E266-D294 PolarHBondContact N-O 2.87Å; E266-D294 VanDerWaalsContact N-O 3.08Å |
| 267 | N | 92.3 | Very high | 91.4 | Very high | 74 Ų | 74 | 47 Ų | 47 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 176 | -67.2 | -3 | 0 | 0 | 0 | 111.8 | D263 T264 K269 T270 K271 | D263-N267 HydrophobicContact CB-CB 4.45Å; T264-N267 WeakPolarHBondContact O-CB 3.32Å; T264-N267 PolarHBondContact O-N 2.81Å; T264-N267 VanDerWaalsContact O-N 3.1Å; T264-N267 PolarHBondContact OG1-N 3.24Å; T264-N267 PolarHBondContact OG1-OD1 2.84Å; N267-K269 VanDerWaalsContact C-N 3.31Å; N267-K269 PolarHBondContact O-N 2.7Å; N267-T270 PolarHBondContact O-N 3.02Å; N267-K271 WeakPolarHBondContact O-CG 3.43Å; N267-K271 PolarHBondContact O-N 2.6Å |
| 268 | V | 95.5 | Very high | 91 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 177 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | I245 L257 V259 D263 T264 I265 E266 K271 I272 L285 L298 | I245-V268 HydrophobicContact CD1-CG1 4.26Å; L257-V268 HydrophobicContact CD1-CG1 3.91Å; V259-V268 HydrophobicContact CG1-CG2 4.28Å; D263-V268 HydrophobicContact CB-CG2 4.25Å; T264-V268 WeakPolarHBondContact O-CG2 3.43Å; T264-V268 PolarHBondContact O-N 2.89Å; I265-V268 PolarHBondContact O-N 2.88Å; E266-V268 VanDerWaalsContact C-N 3.27Å; E266-V268 PolarHBondContact O-N 3.38Å; V268-K271 PolarHBondContact O-N 2.81Å; V268-I272 HydrophobicContact CG1-CD1 4.36Å; V268-I272 WeakPolarHBondContact O-CG1 3.19Å; V268-I272 PolarHBondContact O-N 2.79Å; V268-I272 VanDerWaalsContact O-N 3.07Å; V268-L285 HydrophobicContact CB-CD1 4.4Å; V268-L285 HydrophobicContact CG1-CD1 3.82Å; V268-L298 HydrophobicContact CG2-CD1 4.07Å; V268-L298 HydrophobicContact CG2-CD2 4.01Å; V268-L298 HydrophobicContact CG2-CG 4.1Å |
| 269 | K | 95 | Very high | 90.9 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 7% | 0.065 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.9 | -41 | 175.8 | -71.2 | 172.2 | 164.6 | -168.9 | 0 | 112.3 | I265 E266 N267 K271 I272 Q273 P280 Q283 L285 D294 | I265-K269 WeakPolarHBondContact O-CG 3.24Å; I265-K269 PolarHBondContact O-N 2.91Å; E266-K269 WeakPolarHBondContact O-CB 3.39Å; E266-K269 PolarHBondContact O-N 3.11Å; N267-K269 VanDerWaalsContact C-N 3.31Å; N267-K269 PolarHBondContact O-N 2.7Å; K269-K271 VanDerWaalsContact C-N 3.32Å; K269-K271 PolarHBondContact O-N 2.8Å; K269-I272 WeakPolarHBondContact O-CB 3.45Å; K269-I272 PolarHBondContact O-N 3.4Å; K269-I272 VanDerWaalsContact O-N 3.1Å; K269-Q273 PolarHBondContact O-N 3.17Å; K269-P280 HydrophobicContact CB-CB 3.8Å; K269-P280 HydrophobicContact CB-CG 4.31Å; K269-P280 HydrophobicContact CD-CB 4.22Å; K269-P280 PolarHBondContact NZ-O 2.9Å; K269-Q283 HydrophobicContact CD-CB 4.33Å; K269-Q283 WeakPolarHBondContact CE-O 3.45Å; K269-Q283 HydrophobicContact CG-CB 4.07Å; K269-Q283 PolarHBondContact NZ-O 2.9Å; K269-Q283 VanDerWaalsContact NZ-O 3.17Å; K269-Q283 PolarHBondContact O-NE2 3.31Å; K269-Q283 PolarHBondContact O-OE1 3.35Å; K269-L285 HydrophobicContact CG-CD1 4.01Å; K269-D294 WeakPolarHBondContact CE-OD1 3.4Å; K269-D294 VanDerWaalsContact NZ-CG 3.32Å; K269-D294 IonicContact NZ-OD1 3.49Å; K269-D294 PolarHBondContact NZ-OD1 2.93Å; K269-D294 IonicContact NZ-OD2 3.23Å; K269-D294 PolarHBondContact NZ-OD2 3.23Å; K269-D294 VanDerWaalsContact NZ-OD2 3.17Å |
| 270 | T | 91.7 | Very high | 90.8 | Very high | 53 Ų | 53 | 48.3 Ų | 48.3 | 33% | 0.325 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 172.7 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | E266 N267 I272 Q273 D274 | E266-T270 PolarHBondContact O-N 2.82Å; E266-T270 PolarHBondContact O-OG1 3.02Å; N267-T270 PolarHBondContact O-N 3.02Å; T270-I272 PolarHBondContact O-N 3.19Å; T270-Q273 WeakPolarHBondContact O-CA 3.42Å; T270-Q273 VanDerWaalsContact O-CB 3.31Å; T270-Q273 WeakPolarHBondContact O-CB 3.3Å; T270-Q273 PolarHBondContact O-N 3.34Å; T270-D274 VanDerWaalsContact O-CG 3.31Å; T270-D274 PolarHBondContact O-N 2.94Å |
| 271 | K | 92.9 | Very high | 90.5 | Very high | 54 Ų | 54 | 49.1 Ų | 49.1 | 24% | 0.235 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.3 | -30.9 | 174.8 | -70.6 | 176.6 | 177.5 | -173.3 | 0 | 113.3 | L257 E258 V259 D263 N267 V268 K269 K275 | L257-K271 HydrophobicContact CD2-CB 4.31Å; E258-K271 PolarHBondContact O-NZ 3.24Å; V259-K271 HydrophobicContact CG1-CD 4.31Å; D263-K271 IonicContact OD1-NZ 3.49Å; D263-K271 IonicContact OD2-NZ 2.69Å; D263-K271 PolarHBondContact OD2-NZ 3.44Å; N267-K271 WeakPolarHBondContact O-CG 3.43Å; N267-K271 PolarHBondContact O-N 2.6Å; V268-K271 PolarHBondContact O-N 2.81Å; K269-K271 VanDerWaalsContact C-N 3.32Å; K269-K271 PolarHBondContact O-N 2.8Å; K271-K275 PolarHBondContact O-N 3.31Å |
| 272 | I | 93.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.4 | -41.4 | 172.9 | -66.2 | 163.8 | 0 | 0 | 0 | 110.6 | V247 L257 V268 K269 T270 D274 K275 E276 Q283 L285 L311 | V247-I272 HydrophobicContact CG1-CD1 4.2Å; V247-I272 HydrophobicContact CG2-CD1 4.2Å; L257-I272 HydrophobicContact CD1-CD1 4.09Å; L257-I272 HydrophobicContact CD1-CG1 3.55Å; L257-I272 HydrophobicContact CD2-CG1 4.38Å; V268-I272 HydrophobicContact CG1-CD1 4.36Å; V268-I272 WeakPolarHBondContact O-CG1 3.19Å; V268-I272 PolarHBondContact O-N 2.79Å; V268-I272 VanDerWaalsContact O-N 3.07Å; K269-I272 WeakPolarHBondContact O-CB 3.45Å; K269-I272 PolarHBondContact O-N 3.4Å; K269-I272 VanDerWaalsContact O-N 3.1Å; T270-I272 PolarHBondContact O-N 3.19Å; I272-D274 VanDerWaalsContact C-N 3.32Å; I272-D274 PolarHBondContact O-N 3.02Å; I272-K275 PolarHBondContact O-N 2.9Å; I272-E276 WeakPolarHBondContact O-CB 3.3Å; I272-E276 PolarHBondContact O-N 3.48Å; I272-Q283 VanDerWaalsContact CD1-OE1 3.29Å; I272-L285 HydrophobicContact CD1-CD1 4.07Å; I272-L285 HydrophobicContact CD1-CD2 3.75Å; I272-L285 HydrophobicContact CD1-CG 4.39Å; I272-L311 HydrophobicContact CG2-CD2 4.12Å |
| 273 | Q | 90.5 | Very high | 90.3 | Very high | 50 Ų | 50 | 44.4 Ų | 44.4 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.8 | -46.6 | 174.9 | -177 | -179.8 | 21.8 | 0 | 0 | 110.7 | K269 T270 K275 E276 G277 I278 P280 E336 | K269-Q273 PolarHBondContact O-N 3.17Å; T270-Q273 WeakPolarHBondContact O-CA 3.42Å; T270-Q273 VanDerWaalsContact O-CB 3.31Å; T270-Q273 WeakPolarHBondContact O-CB 3.3Å; T270-Q273 PolarHBondContact O-N 3.34Å; Q273-K275 VanDerWaalsContact C-N 3.26Å; Q273-K275 PolarHBondContact O-N 2.73Å; Q273-E276 PolarHBondContact O-N 3.45Å; Q273-G277 WeakPolarHBondContact O-CA 3.41Å; Q273-G277 PolarHBondContact O-N 3.26Å; Q273-I278 VanDerWaalsContact CA-O 3.23Å; Q273-I278 WeakPolarHBondContact CA-O 3.27Å; Q273-I278 WeakPolarHBondContact CB-O 3.49Å; Q273-P280 HydrophobicContact CB-CG 4.48Å; Q273-P280 VanDerWaalsContact CD-CD 3.48Å; Q273-P280 VanDerWaalsContact OE1-CD 3.23Å; Q273-E336 PolarHBondContact NE2-OE1 3.43Å; Q273-E336 VanDerWaalsContact NE2-OE1 3.14Å |
| 274 | D | 85.2 | Confident | 90.4 | Very high | 124 Ų | 124 | 48 Ų | 48 | 66% | 0.663 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.1 | -34 | 179.9 | -64.3 | -25.7 | 0 | 0 | 0 | 112.6 | T270 I272 | T270-D274 VanDerWaalsContact O-CG 3.31Å; T270-D274 PolarHBondContact O-N 2.94Å; I272-D274 VanDerWaalsContact C-N 3.32Å; I272-D274 PolarHBondContact O-N 3.02Å |
| 275 | K | 87.1 | Confident | 90.4 | Very high | 121 Ų | 121 | 46.3 Ų | 46.3 | 53% | 0.526 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -86.4 | -35.9 | -179.2 | -77.7 | -157.2 | 178.9 | -165.5 | 0 | 114.6 | I255 T256 L257 K271 I272 Q273 | I255-K275 HydrophobicContact CG2-CD 4.22Å; T256-K275 PolarHBondContact O-NZ 3.32Å; L257-K275 HydrophobicContact CD2-CD 3.91Å; K271-K275 PolarHBondContact O-N 3.31Å; I272-K275 PolarHBondContact O-N 2.9Å; Q273-K275 VanDerWaalsContact C-N 3.26Å; Q273-K275 PolarHBondContact O-N 2.73Å |
| 276 | E | 89.2 | Confident | 90.4 | Very high | 63 Ų | 63 | 48.6 Ų | 48.6 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -121.9 | -4 | -167.1 | -63.5 | -74.1 | 142.7 | 0 | 0 | 112.9 | K253 I255 I272 Q273 I278 | K253-E276 WeakPolarHBondContact CE-OE1 3.11Å; K253-E276 IonicContact NZ-OE1 2.99Å; K253-E276 PolarHBondContact NZ-OE1 2.81Å; K253-E276 IonicContact NZ-OE2 2.73Å; K253-E276 PolarHBondContact NZ-OE2 2.92Å; I255-E276 HydrophobicContact CD1-CG 3.62Å; I255-E276 HydrophobicContact CG1-CG 4.03Å; I255-E276 HydrophobicContact CG2-CG 4.43Å; I272-E276 WeakPolarHBondContact O-CB 3.3Å; I272-E276 PolarHBondContact O-N 3.48Å; Q273-E276 PolarHBondContact O-N 3.45Å; E276-I278 HydrophobicContact CB-CD1 3.89Å; E276-I278 HydrophobicContact CB-CG1 3.91Å; E276-I278 PolarHBondContact O-N 2.8Å |
| 277 | G | 84.8 | Confident | 90.5 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 61% | 0.608 | 24% | 0.236 | S | C | * | . | trans | 70.9 | 15.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q273 P279 | Q273-G277 WeakPolarHBondContact O-CA 3.41Å; Q273-G277 PolarHBondContact O-N 3.26Å; G277-P279 WeakPolarHBondContact O-CD 3.44Å | ||
| 278 | I | 84.7 | Confident | 90.5 | Very high | 26 Ų | 26 | 45.8 Ų | 45.8 | 13% | 0.133 | 25% | 0.252 | C | S | . | . | trans | -93.7 | 117.4 | -174.6 | -54.1 | 176.2 | 0 | 0 | 0 | 109.5 | Q273 E276 Q282 Q283 L311 L313 | Q273-I278 VanDerWaalsContact CA-O 3.23Å; Q273-I278 WeakPolarHBondContact CA-O 3.27Å; Q273-I278 WeakPolarHBondContact CB-O 3.49Å; E276-I278 HydrophobicContact CB-CD1 3.89Å; E276-I278 HydrophobicContact CB-CG1 3.91Å; E276-I278 PolarHBondContact O-N 2.8Å; I278-Q282 HydrophobicContact CG2-CB 4.37Å; I278-Q283 HydrophobicContact CB-CG 4.42Å; I278-Q283 HydrophobicContact CG2-CG 3.73Å; I278-Q283 PolarHBondContact O-NE2 2.7Å; I278-L311 HydrophobicContact CD1-CD2 4.19Å; I278-L313 HydrophobicContact CD1-CD1 4.39Å; I278-L313 HydrophobicContact CD1-CD2 4.02Å; I278-L313 HydrophobicContact CG2-CD2 3.61Å | ||
| 279 | P | 84.6 | Confident | 90.3 | Very high | 15 Ų | 15 | 49.4 Ų | 49.4 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | trans | -59.1 | 139.8 | 179 | -29.9 | 39.4 | 0 | 0 | 0 | 114.2 | G277 D281 Q282 Q283 | G277-P279 WeakPolarHBondContact O-CD 3.44Å; P279-D281 VanDerWaalsContact C-N 3.26Å; P279-D281 WeakPolarHBondContact CB-OD1 3.39Å; P279-D281 PolarHBondContact O-N 2.77Å; P279-Q282 HydrophobicContact CB-CG 4.35Å; P279-Q282 WeakPolarHBondContact O-CB 3.42Å; P279-Q282 PolarHBondContact O-N 2.87Å; P279-Q283 WeakPolarHBondContact O-CG 3.16Å; P279-Q283 PolarHBondContact O-N 3.33Å | ||
| 280 | P | 88.7 | Confident | 90.3 | Very high | 23 Ų | 23 | 55.6 Ų | 55.6 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -56.1 | -31.5 | -176.9 | -30.9 | 37.6 | 0 | 0 | 0 | 115.7 | K269 Q273 Q282 Q283 E336 | K269-P280 HydrophobicContact CB-CB 3.8Å; K269-P280 HydrophobicContact CB-CG 4.31Å; K269-P280 HydrophobicContact CD-CB 4.22Å; K269-P280 PolarHBondContact NZ-O 2.9Å; Q273-P280 HydrophobicContact CB-CG 4.48Å; Q273-P280 VanDerWaalsContact CD-CD 3.48Å; Q273-P280 VanDerWaalsContact OE1-CD 3.23Å; P280-Q282 VanDerWaalsContact C-N 3.31Å; P280-Q283 WeakPolarHBondContact O-CB 3.38Å; P280-Q283 PolarHBondContact O-N 2.84Å; P280-Q283 VanDerWaalsContact O-N 3.16Å; P280-E336 WeakPolarHBondContact CD-OE1 3.43Å |
| 281 | D | 84.1 | Confident | 90.4 | Very high | 53 Ų | 53 | 57.2 Ų | 57.2 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -71.3 | -25 | 178.1 | 64 | -17.7 | 0 | 0 | 0 | 113.2 | P279 Q283 G318 | P279-D281 VanDerWaalsContact C-N 3.26Å; P279-D281 WeakPolarHBondContact CB-OD1 3.39Å; P279-D281 PolarHBondContact O-N 2.77Å; D281-Q283 VanDerWaalsContact C-N 3.34Å; D281-G318 WeakPolarHBondContact OD2-CA 3.07Å |
| 282 | Q | 86.1 | Confident | 90.6 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -83 | -13.9 | 171.3 | -62.3 | -176.9 | 7.6 | 0 | 0 | 112.4 | I278 P279 P280 L313 R314 E334 | I278-Q282 HydrophobicContact CG2-CB 4.37Å; P279-Q282 HydrophobicContact CB-CG 4.35Å; P279-Q282 WeakPolarHBondContact O-CB 3.42Å; P279-Q282 PolarHBondContact O-N 2.87Å; P280-Q282 VanDerWaalsContact C-N 3.31Å; Q282-L313 CarbonylContact O-C 3.48Å; Q282-L313 WeakPolarHBondContact O-CA 3.48Å; Q282-R314 PolarHBondContact O-N 2.98Å; Q282-E334 VanDerWaalsContact NE2-CB 3.34Å |
| 283 | Q | 91.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.009 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 129.2 | -177.1 | -61.8 | 178 | 35.4 | 0 | 0 | 112.1 | K269 I272 I278 P279 P280 D281 L311 | K269-Q283 HydrophobicContact CD-CB 4.33Å; K269-Q283 WeakPolarHBondContact CE-O 3.45Å; K269-Q283 HydrophobicContact CG-CB 4.07Å; K269-Q283 PolarHBondContact NZ-O 2.9Å; K269-Q283 VanDerWaalsContact NZ-O 3.17Å; K269-Q283 PolarHBondContact O-NE2 3.31Å; K269-Q283 PolarHBondContact O-OE1 3.35Å; I272-Q283 VanDerWaalsContact CD1-OE1 3.29Å; I278-Q283 HydrophobicContact CB-CG 4.42Å; I278-Q283 HydrophobicContact CG2-CG 3.73Å; I278-Q283 PolarHBondContact O-NE2 2.7Å; P279-Q283 WeakPolarHBondContact O-CG 3.16Å; P279-Q283 PolarHBondContact O-N 3.33Å; P280-Q283 WeakPolarHBondContact O-CB 3.38Å; P280-Q283 PolarHBondContact O-N 2.84Å; P280-Q283 VanDerWaalsContact O-N 3.16Å; D281-Q283 VanDerWaalsContact C-N 3.34Å; Q283-L311 HydrophobicContact CB-CD1 3.78Å; Q283-L311 HydrophobicContact CG-CD1 3.99Å |
| 284 | R | 92.8 | Very high | 90.7 | Very high | 93 Ų | 93 | 60.8 Ų | 60.8 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 109.7 | 168.1 | -159.4 | -178.7 | -157.8 | -176.8 | 1.6 | 109.2 | Q291 V312 | R284-Q291 HydrophobicContact CG-CG 4.07Å; R284-V312 HydrophobicContact CB-CB 4.3Å; R284-V312 VanDerWaalsContact CB-O 3.27Å; R284-V312 WeakPolarHBondContact CB-O 3.1Å; R284-V312 PolarHBondContact N-O 3.29Å; R284-V312 PolarHBondContact O-N 3.29Å |
| 285 | L | 96 | Very high | 91.1 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 135 | 178.4 | -65.4 | 175.6 | 0 | 0 | 0 | 110.7 | V247 I265 V268 K269 I272 L292 L309 L311 | V247-L285 HydrophobicContact CG1-CD2 4.09Å; I265-L285 HydrophobicContact CG2-CD1 4.24Å; V268-L285 HydrophobicContact CB-CD1 4.4Å; V268-L285 HydrophobicContact CG1-CD1 3.82Å; K269-L285 HydrophobicContact CG-CD1 4.01Å; I272-L285 HydrophobicContact CD1-CD1 4.07Å; I272-L285 HydrophobicContact CD1-CD2 3.75Å; I272-L285 HydrophobicContact CD1-CG 4.39Å; L285-L292 HydrophobicContact CB-CB 4.24Å; L285-L292 HydrophobicContact CB-CD1 3.93Å; L285-L292 HydrophobicContact CB-CG 4.28Å; L285-L292 PolarHBondContact O-N 2.99Å; L285-L309 HydrophobicContact CB-CD2 4.48Å; L285-L309 HydrophobicContact CD1-CD2 4.35Å; L285-L311 HydrophobicContact CD2-CB 4.24Å; L285-L311 HydrophobicContact CD2-CD1 3.92Å |
| 286 | I | 96.5 | Very high | 91.5 | Very high | 47 Ų | 47 | 57.9 Ų | 57.9 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.6 | -179.6 | -56.7 | 174.1 | 0 | 0 | 0 | 108.6 | K290 L309 H310 V312 | I286-K290 CarbonylContact C-O 3.58Å; I286-K290 VanDerWaalsContact CA-O 3.31Å; I286-K290 WeakPolarHBondContact CA-O 3.42Å; I286-K290 WeakPolarHBondContact CG2-O 3.42Å; I286-L309 CarbonylContact O-C 3.57Å; I286-L309 WeakPolarHBondContact O-CA 3.26Å; I286-H310 HydrophobicContact CB-CB 4.34Å; I286-H310 PolarHBondContact N-O 3.22Å; I286-H310 PolarHBondContact O-N 2.9Å; I286-V312 HydrophobicContact CD1-CG2 3.73Å |
| 287 | F | 97.1 | Very high | 91.8 | Very high | 40 Ų | 40 | 56.2 Ų | 56.2 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 134.8 | 173.3 | -177.1 | -112.4 | 0 | 0 | 0 | 109.8 | G289 K290 L292 I303 L309 | F287-G289 PolarHBondContact O-N 3.4Å; F287-G289 VanDerWaalsContact O-N 3.1Å; F287-K290 PolarHBondContact N-O 2.86Å; F287-K290 PolarHBondContact O-N 2.74Å; F287-L292 HydrophobicContact CB-CD1 4.13Å; F287-L292 HydrophobicContact CB-CD2 3.9Å; F287-L292 HydrophobicContact CB-CG 4.29Å; F287-I303 HydrophobicContact CB-CD1 4.32Å; F287-I303 HydrophobicContact CD1-CD1 4.13Å; F287-I303 HydrophobicContact CD1-CG1 3.53Å; F287-I303 HydrophobicContact CD2-CG1 4.35Å; F287-I303 HydrophobicContact CE1-CG1 3.64Å; F287-I303 HydrophobicContact CE2-CG1 4.46Å; F287-I303 HydrophobicContact CG-CD1 4.16Å; F287-I303 HydrophobicContact CG-CG1 3.9Å; F287-I303 HydrophobicContact CZ-CG1 4.12Å; F287-L309 HydrophobicContact CB-CG 4.26Å; F287-L309 HydrophobicContact CD2-CD1 4.04Å; F287-L309 HydrophobicContact CD2-CG 4.29Å |
| 288 | A | 93.4 | Very high | 92.3 | Very high | 87 Ų | 87 | 53.4 Ų | 53.4 | 72% | 0.719 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 40.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K290 | A288-K290 PolarHBondContact O-N 2.75Š|
| 289 | G | 91 | Very high | 92.7 | Very high | 76 Ų | 76 | 55.2 Ų | 55.2 | 78% | 0.784 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -1.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | F287 | F287-G289 PolarHBondContact O-N 3.4Å; F287-G289 VanDerWaalsContact O-N 3.1Å |
| 290 | K | 94.2 | Very high | 93.2 | Very high | 144 Ų | 144 | 59.1 Ų | 59.1 | 63% | 0.626 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.7 | 177.4 | -66.3 | -177.2 | 180 | 178.3 | 0 | 110.9 | I286 F287 A288 | I286-K290 CarbonylContact C-O 3.58Å; I286-K290 VanDerWaalsContact CA-O 3.31Å; I286-K290 WeakPolarHBondContact CA-O 3.42Å; I286-K290 WeakPolarHBondContact CG2-O 3.42Å; F287-K290 PolarHBondContact N-O 2.86Å; F287-K290 PolarHBondContact O-N 2.74Å; A288-K290 PolarHBondContact O-N 2.75Å |
| 291 | Q | 94.9 | Very high | 93.6 | Very high | 87 Ų | 87 | 59.9 Ų | 59.9 | 41% | 0.407 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 136.1 | 167.5 | -179.5 | -177.5 | -20.1 | 0 | 0 | 109.5 | R284 | R284-Q291 HydrophobicContact CG-CG 4.07Å |
| 292 | L | 96.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 136.1 | 177.3 | -55.2 | -173.7 | 0 | 0 | 0 | 110.7 | I265 L285 F287 Y301 I303 L309 | I265-L292 HydrophobicContact CB-CB 4.5Å; I265-L292 HydrophobicContact CD1-CB 3.9Å; I265-L292 HydrophobicContact CD1-CD1 3.64Å; I265-L292 HydrophobicContact CD1-CG 4.29Å; I265-L292 HydrophobicContact CG1-CB 3.89Å; I265-L292 HydrophobicContact CG2-CB 3.81Å; L285-L292 HydrophobicContact CB-CB 4.24Å; L285-L292 HydrophobicContact CB-CD1 3.93Å; L285-L292 HydrophobicContact CB-CG 4.28Å; L285-L292 PolarHBondContact O-N 2.99Å; F287-L292 HydrophobicContact CB-CD1 4.13Å; F287-L292 HydrophobicContact CB-CD2 3.9Å; F287-L292 HydrophobicContact CB-CG 4.29Å; L292-Y301 HydrophobicContact CB-CE2 4.27Å; L292-Y301 HydrophobicContact CD2-CD1 3.61Å; L292-Y301 HydrophobicContact CD2-CD2 3.67Å; L292-Y301 HydrophobicContact CD2-CE1 3.74Å; L292-Y301 HydrophobicContact CD2-CE2 3.76Å; L292-Y301 HydrophobicContact CD2-CG 3.57Å; L292-I303 HydrophobicContact CD1-CD1 3.87Å; L292-I303 HydrophobicContact CD2-CD1 4.44Å; L292-L309 HydrophobicContact CD1-CD2 3.53Å; L292-L309 HydrophobicContact CD1-CG 4.19Å |
| 293 | E | 95.2 | Very high | 94.5 | Very high | 105 Ų | 105 | 61.4 Ų | 61.4 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -95.6 | 133.3 | -179.9 | -67.9 | 171.1 | -174.9 | 0 | 0 | 110.7 | I265 G295 R296 Y301 | I265-E293 WeakPolarHBondContact CB-O 3.37Å; I265-E293 VanDerWaalsContact CG1-O 3.29Å; I265-E293 WeakPolarHBondContact CG1-O 3.23Å; E293-G295 VanDerWaalsContact C-N 3.32Å; E293-G295 PolarHBondContact O-N 2.92Å; E293-R296 HydrophobicContact CB-CG 4.27Å; E293-R296 PolarHBondContact O-N 2.79Å; E293-R296 VanDerWaalsContact O-N 3.1Å; E293-R296 IonicContact OE2-CZ 2.61Å; E293-R296 IonicContact OE2-NE 2.6Å; E293-R296 PolarHBondContact OE2-NE 2.88Å; E293-R296 IonicContact OE2-NH2 2.74Å; E293-R296 PolarHBondContact OE2-NH2 2.81Å; E293-Y301 WeakPolarHBondContact CB-OH 3.39Å; E293-Y301 PolarHBondContact N-OH 3.37Å |
| 294 | D | 92.4 | Very high | 94.5 | Very high | 70 Ų | 70 | 67 Ų | 67 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -39.5 | -169.2 | -69 | -14.5 | 0 | 0 | 0 | 114 | I265 E266 K269 R296 | I265-D294 PolarHBondContact N-O 3.1Å; E266-D294 HydrophobicContact CB-CB 4.26Å; E266-D294 PolarHBondContact N-O 2.87Å; E266-D294 VanDerWaalsContact N-O 3.08Å; K269-D294 WeakPolarHBondContact CE-OD1 3.4Å; K269-D294 VanDerWaalsContact NZ-CG 3.32Å; K269-D294 IonicContact NZ-OD1 3.49Å; K269-D294 PolarHBondContact NZ-OD1 2.93Å; K269-D294 IonicContact NZ-OD2 3.23Å; K269-D294 PolarHBondContact NZ-OD2 3.23Å; K269-D294 VanDerWaalsContact NZ-OD2 3.17Å; D294-R296 VanDerWaalsContact C-N 3.34Å; D294-R296 PolarHBondContact O-N 2.89Å |
| 295 | G | 92.2 | Very high | 94.5 | Very high | 71 Ų | 71 | 68.8 Ų | 68.8 | 73% | 0.732 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -0.6 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | E293 | E293-G295 VanDerWaalsContact C-N 3.32Å; E293-G295 PolarHBondContact O-N 2.92Å |
| 296 | R | 95.8 | Very high | 94.3 | Very high | 113 Ų | 113 | 74.8 Ų | 74.8 | 43% | 0.426 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -95.6 | 159 | 176.1 | -67.6 | -165 | -166.6 | -140.8 | -0.5 | 111.2 | T264 I265 E293 D294 D300 Y301 | T264-R296 CarbonylContact C-O 3.56Å; T264-R296 WeakPolarHBondContact CA-O 3.3Å; I265-R296 WeakPolarHBondContact CG1-O 3.5Å; I265-R296 PolarHBondContact N-O 3.25Å; E293-R296 HydrophobicContact CB-CG 4.27Å; E293-R296 PolarHBondContact O-N 2.79Å; E293-R296 VanDerWaalsContact O-N 3.1Å; E293-R296 IonicContact OE2-CZ 2.61Å; E293-R296 IonicContact OE2-NE 2.6Å; E293-R296 PolarHBondContact OE2-NE 2.88Å; E293-R296 IonicContact OE2-NH2 2.74Å; E293-R296 PolarHBondContact OE2-NH2 2.81Å; D294-R296 VanDerWaalsContact C-N 3.34Å; D294-R296 PolarHBondContact O-N 2.89Å; R296-D300 HydrophobicContact CB-CB 4.25Å; R296-Y301 HydrophobicContact CB-CD2 4.33Å; R296-Y301 HydrophobicContact CB-CE2 3.65Å; R296-Y301 HydrophobicContact CG-CE2 4.29Å |
| 297 | T | 95.6 | Very high | 94.3 | Very high | 28 Ų | 28 | 73.5 Ų | 73.5 | 17% | 0.172 | 41% | 0.407 | C | S | . | . | B | Isolated β-bridge | trans | -89.8 | 164.7 | 176.6 | 67.8 | 0 | 0 | 0 | 0 | 112.4 | S262 D263 S299 D300 | S262-T297 WeakPolarHBondContact O-CG2 3.47Å; D263-T297 CarbonylContact O-C 3.59Å; D263-T297 WeakPolarHBondContact O-CA 3.42Å; T297-S299 PolarHBondContact O-N 3.5Å; T297-S299 PolarHBondContact OG1-N 2.85Å; T297-S299 PolarHBondContact OG1-OG 3.24Å; T297-D300 PolarHBondContact N-OD2 2.97Å; T297-D300 PolarHBondContact O-N 2.73Å; T297-D300 PolarHBondContact OG1-N 2.86Å; T297-D300 PolarHBondContact OG1-OD2 2.61Å |
| 298 | L | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -37.9 | 169.5 | -70.1 | -179.1 | 0 | 0 | 0 | 111.9 | I245 V259 P261 D263 I265 V268 D300 Y301 N302 I303 | I245-L298 HydrophobicContact CD1-CD1 4.29Å; I245-L298 HydrophobicContact CD1-CD2 4.36Å; V259-L298 HydrophobicContact CB-CD1 3.59Å; V259-L298 HydrophobicContact CG1-CD1 4.11Å; V259-L298 HydrophobicContact CG2-CD1 3.49Å; V259-L298 VanDerWaalsContact CG2-CD1 3.49Å; P261-L298 PolarHBondContact O-N 2.87Å; D263-L298 HydrophobicContact CB-CD1 4.24Å; D263-L298 HydrophobicContact CB-CG 4.49Å; D263-L298 PolarHBondContact O-N 3.46Å; I265-L298 HydrophobicContact CD1-CD2 3.9Å; V268-L298 HydrophobicContact CG2-CD1 4.07Å; V268-L298 HydrophobicContact CG2-CD2 4.01Å; V268-L298 HydrophobicContact CG2-CG 4.1Å; L298-D300 VanDerWaalsContact C-N 3.35Å; L298-D300 PolarHBondContact O-N 3.1Å; L298-Y301 PolarHBondContact O-N 2.88Å; L298-N302 PolarHBondContact O-N 3.47Å; L298-I303 HydrophobicContact CB-CB 4.25Å; L298-I303 HydrophobicContact CD2-CB 4.22Å; L298-I303 HydrophobicContact CD2-CD1 3.54Å; L298-I303 HydrophobicContact CD2-CG1 4.47Å; L298-I303 HydrophobicContact CD2-CG2 4.12Å; L298-I303 WeakPolarHBondContact O-CB 3.27Å; L298-I303 PolarHBondContact O-N 2.75Å |
| 299 | S | 94.1 | Very high | 94.5 | Very high | 65 Ų | 65 | 69.8 Ų | 69.8 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -64.5 | -35.2 | 178.2 | 75 | 0 | 0 | 0 | 0 | 113.2 | P261 T297 Y301 N302 | P261-S299 WeakPolarHBondContact O-CB 3.36Å; P261-S299 PolarHBondContact O-N 3.11Å; T297-S299 PolarHBondContact O-N 3.5Å; T297-S299 PolarHBondContact OG1-N 2.85Å; T297-S299 PolarHBondContact OG1-OG 3.24Å; S299-Y301 PolarHBondContact O-N 3.29Å; S299-N302 WeakPolarHBondContact O-CA 3.39Å; S299-N302 PolarHBondContact O-N 3.37Å |
| 300 | D | 95.1 | Very high | 94.7 | Very high | 97 Ų | 97 | 70.7 Ų | 70.7 | 52% | 0.519 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -61.9 | -27.7 | 177.6 | -66.1 | -42.7 | 0 | 0 | 0 | 112.6 | R296 T297 L298 | R296-D300 HydrophobicContact CB-CB 4.25Å; T297-D300 PolarHBondContact N-OD2 2.97Å; T297-D300 PolarHBondContact O-N 2.73Å; T297-D300 PolarHBondContact OG1-N 2.86Å; T297-D300 PolarHBondContact OG1-OD2 2.61Å; L298-D300 VanDerWaalsContact C-N 3.35Å; L298-D300 PolarHBondContact O-N 3.1Å |
| 301 | Y | 95.6 | Very high | 94.8 | Very high | 39 Ų | 39 | 64 Ų | 64 | 15% | 0.153 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -96.8 | 4.4 | 175.7 | -70.8 | -76 | 0 | 0 | 0 | 113.5 | I265 L292 E293 R296 L298 S299 I303 | I265-Y301 HydrophobicContact CD1-CD2 4.42Å; I265-Y301 HydrophobicContact CG1-CE2 4.21Å; L292-Y301 HydrophobicContact CB-CE2 4.27Å; L292-Y301 HydrophobicContact CD2-CD1 3.61Å; L292-Y301 HydrophobicContact CD2-CD2 3.67Å; L292-Y301 HydrophobicContact CD2-CE1 3.74Å; L292-Y301 HydrophobicContact CD2-CE2 3.76Å; L292-Y301 HydrophobicContact CD2-CG 3.57Å; E293-Y301 WeakPolarHBondContact CB-OH 3.39Å; E293-Y301 PolarHBondContact N-OH 3.37Å; R296-Y301 HydrophobicContact CB-CD2 4.33Å; R296-Y301 HydrophobicContact CB-CE2 3.65Å; R296-Y301 HydrophobicContact CG-CE2 4.29Å; L298-Y301 PolarHBondContact O-N 2.88Å; S299-Y301 PolarHBondContact O-N 3.29Å; Y301-I303 PolarHBondContact O-N 3.14Å |
| 302 | N | 95.1 | Very high | 94.5 | Very high | 114 Ų | 114 | 61.7 Ų | 61.7 | 61% | 0.61 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 39 | -175.3 | -161.9 | 27.7 | 0 | 0 | 0 | 112.2 | L298 S299 Q304 | L298-N302 PolarHBondContact O-N 3.47Å; S299-N302 WeakPolarHBondContact O-CA 3.39Å; S299-N302 PolarHBondContact O-N 3.37Å; N302-Q304 PolarHBondContact O-N 3.47Å |
| 303 | I | 94 | Very high | 94.1 | Very high | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | trans | -75.7 | 121.8 | 174.8 | -66.6 | 168.1 | 0 | 0 | 0 | 107.4 | M243 I245 F287 L292 L298 Y301 L309 | M243-I303 HydrophobicContact CE-CG2 4.25Å; M243-I303 WeakPolarHBondContact CE-O 3.5Å; I245-I303 HydrophobicContact CG2-CG2 3.91Å; F287-I303 HydrophobicContact CB-CD1 4.32Å; F287-I303 HydrophobicContact CD1-CD1 4.13Å; F287-I303 HydrophobicContact CD1-CG1 3.53Å; F287-I303 HydrophobicContact CD2-CG1 4.35Å; F287-I303 HydrophobicContact CE1-CG1 3.64Å; F287-I303 HydrophobicContact CE2-CG1 4.46Å; F287-I303 HydrophobicContact CG-CD1 4.16Å; F287-I303 HydrophobicContact CG-CG1 3.9Å; F287-I303 HydrophobicContact CZ-CG1 4.12Å; L292-I303 HydrophobicContact CD1-CD1 3.87Å; L292-I303 HydrophobicContact CD2-CD1 4.44Å; L298-I303 HydrophobicContact CB-CB 4.25Å; L298-I303 HydrophobicContact CD2-CB 4.22Å; L298-I303 HydrophobicContact CD2-CD1 3.54Å; L298-I303 HydrophobicContact CD2-CG1 4.47Å; L298-I303 HydrophobicContact CD2-CG2 4.12Å; L298-I303 WeakPolarHBondContact O-CB 3.27Å; L298-I303 PolarHBondContact O-N 2.75Å; Y301-I303 PolarHBondContact O-N 3.14Å; I303-L309 HydrophobicContact CD1-CD1 4.3Å; I303-L309 HydrophobicContact CD1-CD2 4.34Å; I303-L309 HydrophobicContact CG2-CD1 4.04Å | ||
| 304 | Q | 92.3 | Very high | 93.3 | Very high | 118 Ų | 118 | 66.1 Ų | 66.1 | 55% | 0.551 | 34% | 0.343 | S | S | * | . | trans | -106.9 | 169.9 | -176.9 | -62 | -170 | -10.3 | 0 | 0 | 111.7 | N302 E306 S307 | N302-Q304 PolarHBondContact O-N 3.47Å; Q304-E306 PolarHBondContact O-N 2.91Å; Q304-S307 PolarHBondContact N-OG 3.1Å; Q304-S307 WeakPolarHBondContact O-CB 3.5Å; Q304-S307 PolarHBondContact O-N 2.92Å; Q304-S307 PolarHBondContact O-OG 2.89Å | ||
| 305 | K | 92.2 | Very high | 92 | Very high | 131 Ų | 131 | 70.4 Ų | 70.4 | 57% | 0.57 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 137.5 | 172.2 | -172.6 | 172.5 | 179.4 | 173.4 | 0 | 110.3 | M243 S307 | M243-K305 HydrophobicContact CG-CB 4.08Å; K305-S307 PolarHBondContact O-N 2.94Å |
| 306 | E | 93 | Very high | 90.6 | Very high | 127 Ų | 127 | 77 Ų | 77 | 59% | 0.593 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 10.8 | -176.4 | -65.2 | 173.2 | -170.6 | 0 | 0 | 115.6 | Q244 F246 Q304 | Q244-E306 PolarHBondContact O-N 3.38Å; F246-E306 HydrophobicContact CD2-CB 4.49Å; F246-E306 WeakPolarHBondContact CD2-O 3.49Å; F246-E306 HydrophobicContact CE2-CB 3.83Å; F246-E306 HydrophobicContact CE2-CG 3.9Å; F246-E306 HydrophobicContact CZ-CG 4.4Å; Q304-E306 PolarHBondContact O-N 2.91Å |
| 307 | S | 96.2 | Very high | 88.9 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 14% | 0.14 | 37% | 0.368 | C | S | . | . | trans | -60.3 | 143.1 | 171.6 | -68.3 | 0 | 0 | 0 | 0 | 111.6 | F246 Q304 K305 | F246-S307 PolarHBondContact N-O 3.15Å; Q304-S307 PolarHBondContact N-OG 3.1Å; Q304-S307 WeakPolarHBondContact O-CB 3.5Å; Q304-S307 PolarHBondContact O-N 2.92Å; Q304-S307 PolarHBondContact O-OG 2.89Å; K305-S307 PolarHBondContact O-N 2.94Å | ||
| 308 | T | 96.5 | Very high | 87.8 | Confident | 49 Ų | 49 | 72.5 Ų | 72.5 | 30% | 0.301 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 114.7 | 176.3 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | F246 K248 | F246-T308 HydrophobicContact CB-CG2 4.43Å; F246-T308 CarbonylContact O-C 3.6Å; F246-T308 WeakPolarHBondContact O-CA 3.19Å; K248-T308 HydrophobicContact CB-CG2 4.28Å; K248-T308 HydrophobicContact CD-CG2 3.84Å; K248-T308 HydrophobicContact CG-CG2 3.81Å |
| 309 | L | 97.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 153.1 | 169.3 | -73.4 | 66 | 0 | 0 | 0 | 109.3 | I245 F246 V247 K248 L285 I286 F287 L292 I303 | I245-L309 HydrophobicContact CB-CD1 4.48Å; I245-L309 HydrophobicContact CD1-CD1 4.15Å; I245-L309 HydrophobicContact CD1-CD2 4.27Å; F246-L309 PolarHBondContact O-N 2.9Å; V247-L309 CarbonylContact C-O 3.51Å; V247-L309 WeakPolarHBondContact CA-O 3.33Å; V247-L309 HydrophobicContact CG2-CB 4.38Å; K248-L309 PolarHBondContact N-O 3.36Å; L285-L309 HydrophobicContact CB-CD2 4.48Å; L285-L309 HydrophobicContact CD1-CD2 4.35Å; I286-L309 CarbonylContact O-C 3.57Å; I286-L309 WeakPolarHBondContact O-CA 3.26Å; F287-L309 HydrophobicContact CB-CG 4.26Å; F287-L309 HydrophobicContact CD2-CD1 4.04Å; F287-L309 HydrophobicContact CD2-CG 4.29Å; L292-L309 HydrophobicContact CD1-CD2 3.53Å; L292-L309 HydrophobicContact CD1-CG 4.19Å; I303-L309 HydrophobicContact CD1-CD1 4.3Å; I303-L309 HydrophobicContact CD1-CD2 4.34Å; I303-L309 HydrophobicContact CG2-CD1 4.04Å |
| 310 | H | 96.6 | Very high | 87.3 | Confident | 95 Ų | 95 | 72.4 Ų | 72.4 | 44% | 0.44 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 128.3 | 172.9 | -65.3 | 73.1 | 0 | 0 | 0 | 109.4 | K248 I286 | K248-H310 CarbonylContact O-C 3.57Å; K248-H310 WeakPolarHBondContact O-CA 3.33Å; I286-H310 HydrophobicContact CB-CB 4.34Å; I286-H310 PolarHBondContact N-O 3.22Å; I286-H310 PolarHBondContact O-N 2.9Å |
| 311 | L | 94.8 | Very high | 87.4 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 119.5 | 175.1 | 176.5 | 62.2 | 0 | 0 | 0 | 109.9 | V247 K248 T249 I272 I278 Q283 L285 L313 | V247-L311 HydrophobicContact CG1-CB 3.53Å; V247-L311 HydrophobicContact CG1-CD2 4.34Å; V247-L311 HydrophobicContact CG1-CG 4.5Å; K248-L311 PolarHBondContact O-N 3.3Å; T249-L311 HydrophobicContact CG2-CD2 4.44Å; I272-L311 HydrophobicContact CG2-CD2 4.12Å; I278-L311 HydrophobicContact CD1-CD2 4.19Å; Q283-L311 HydrophobicContact CB-CD1 3.78Å; Q283-L311 HydrophobicContact CG-CD1 3.99Å; L285-L311 HydrophobicContact CD2-CB 4.24Å; L285-L311 HydrophobicContact CD2-CD1 3.92Å; L311-L313 HydrophobicContact CD1-CD2 4.14Å; L311-L313 HydrophobicContact CD2-CD2 4.01Å; L311-L313 HydrophobicContact CG-CD2 3.96Å |
| 312 | V | 90.4 | Very high | 87.4 | Confident | 40 Ų | 40 | 68.6 Ų | 68.6 | 24% | 0.242 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.3 | 170.9 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | L250 R284 I286 | L250-V312 HydrophobicContact CD1-CG1 4.32Å; L250-V312 HydrophobicContact CD1-CG2 4.43Å; L250-V312 HydrophobicContact CD2-CG2 4.41Å; R284-V312 HydrophobicContact CB-CB 4.3Å; R284-V312 VanDerWaalsContact CB-O 3.27Å; R284-V312 WeakPolarHBondContact CB-O 3.1Å; R284-V312 PolarHBondContact N-O 3.29Å; R284-V312 PolarHBondContact O-N 3.29Å; I286-V312 HydrophobicContact CD1-CG2 3.73Å |
| 313 | L | 86.5 | Confident | 87.6 | Confident | 86 Ų | 86 | 63.1 Ų | 63.1 | 45% | 0.45 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 130 | 179.4 | -59.4 | -178.7 | 0 | 0 | 0 | 110.8 | I278 Q282 L311 | I278-L313 HydrophobicContact CD1-CD1 4.39Å; I278-L313 HydrophobicContact CD1-CD2 4.02Å; I278-L313 HydrophobicContact CG2-CD2 3.61Å; Q282-L313 CarbonylContact O-C 3.48Å; Q282-L313 WeakPolarHBondContact O-CA 3.48Å; L311-L313 HydrophobicContact CD1-CD2 4.14Å; L311-L313 HydrophobicContact CD2-CD2 4.01Å; L311-L313 HydrophobicContact CG-CD2 3.96Å |
| 314 | R | 78.3 | Confident | 87.7 | Confident | 115 Ų | 115 | 67 Ų | 67 | 43% | 0.434 | 32% | 0.322 | S | S | . | . | trans | -86.1 | 122.5 | 170.3 | -71.6 | 178.2 | 144.5 | 174.7 | -5.4 | 108.8 | Q282 R316 | Q282-R314 PolarHBondContact O-N 2.98Å; R314-R316 VanDerWaalsContact C-N 3.3Å; R314-R316 PolarHBondContact O-N 2.99Å | ||
| 315 | L | 66.6 | Low | 87.7 | Confident | 160 Ų | 160 | 62.6 Ų | 62.6 | 84% | 0.838 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -15.5 | -177.7 | -67 | 170.8 | 0 | 0 | 0 | 114.6 | ||
| 316 | R | 62.5 | Low | 87.4 | Confident | 210 Ų | 210 | 62.8 Ų | 62.8 | 79% | 0.792 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.1 | 36.2 | -172.3 | -64.1 | -169.5 | -175.3 | -176.1 | 1.8 | 114.3 | R314 | R314-R316 VanDerWaalsContact C-N 3.3Å; R314-R316 PolarHBondContact O-N 2.99Å |
| 317 | G | 59.6 | Low | 87.1 | Confident | 41 Ų | 41 | 62.8 Ų | 62.8 | 42% | 0.423 | 32% | 0.319 | S | S | . | . | trans | -80 | -21.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 318 | G | 73.5 | Confident | 86.6 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -101 | -176.1 | -160.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | D281 Q320 | D281-G318 WeakPolarHBondContact OD2-CA 3.07Å; G318-Q320 PolarHBondContact O-N 2.75Å |
| 319 | M | 88.3 | Confident | 86.5 | Confident | 29 Ų | 29 | 66.3 Ų | 66.3 | 14% | 0.143 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 113.6 | 167.5 | 168.7 | 169.5 | 160.1 | 0 | 0 | 108.3 | I321 V335 P337 L374 I379 K381 | M319-I321 HydrophobicContact CE-CG2 4.07Å; M319-V335 WeakPolarHBondContact CB-O 3.27Å; M319-V335 HydrophobicContact CE-CG2 4.22Å; M319-V335 HydrophobicContact CG-CG2 4.05Å; M319-V335 WeakPolarHBondContact O-CG2 3.45Å; M319-V335 PolarHBondContact O-N 2.97Å; M319-P337 HydrophobicContact SD-CG 3.83Å; M319-L374 HydrophobicContact CE-CD1 4.35Å; M319-I379 WeakPolarHBondContact CE-O 3.31Å; M319-K381 HydrophobicContact CG-CB 4.1Å |
| 320 | Q | 90.4 | Very high | 86.4 | Confident | 35 Ų | 35 | 69.7 Ų | 69.7 | 16% | 0.164 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 142 | 174.8 | -69.6 | 175.4 | 9.7 | 0 | 0 | 110 | G318 T332 L333 E334 E382 | G318-Q320 PolarHBondContact O-N 2.75Å; Q320-T332 HydrophobicContact CB-CG2 4.25Å; Q320-T332 HydrophobicContact CG-CG2 4.26Å; Q320-L333 CarbonylContact C-O 3.6Å; Q320-L333 VanDerWaalsContact CA-O 3.26Å; Q320-L333 WeakPolarHBondContact CA-O 3.42Å; Q320-E334 VanDerWaalsContact CG-CD 3.49Å; Q320-E334 VanDerWaalsContact CG-OE1 3.29Å; Q320-E334 WeakPolarHBondContact CG-OE1 3.21Å; Q320-E334 WeakPolarHBondContact CG-OE2 3.37Å; Q320-E334 PolarHBondContact NE2-OE1 2.97Å; Q320-E382 PolarHBondContact O-N 2.96Å |
| 321 | I | 95.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 160.2 | 164.9 | 63.5 | 171.7 | 0 | 0 | 0 | 109.5 | M319 L333 V335 V344 L374 I379 L385 | M319-I321 HydrophobicContact CE-CG2 4.07Å; I321-L333 HydrophobicContact CG1-CB 4.05Å; I321-L333 PolarHBondContact N-O 3.45Å; I321-L333 PolarHBondContact O-N 3.09Å; I321-V335 HydrophobicContact CB-CG2 4.32Å; I321-V335 HydrophobicContact CD1-CG1 3.9Å; I321-V335 HydrophobicContact CD1-CG2 4.07Å; I321-V335 HydrophobicContact CG1-CG1 3.92Å; I321-V335 HydrophobicContact CG1-CG2 3.82Å; I321-V335 HydrophobicContact CG2-CG2 3.75Å; I321-V344 HydrophobicContact CD1-CG1 4.22Å; I321-L374 HydrophobicContact CD1-CD1 4.19Å; I321-L374 HydrophobicContact CD1-CD2 4.28Å; I321-I379 HydrophobicContact CG2-CG2 3.99Å; I321-L385 HydrophobicContact CD1-CD1 4.3Å; I321-L385 HydrophobicContact CD1-CD2 4.28Å |
| 322 | F | 97.3 | Very high | 86.2 | Confident | 55 Ų | 55 | 67.9 Ų | 67.9 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.2 | 178.1 | -57.7 | -74.2 | 0 | 0 | 0 | 110 | T330 I331 T332 E382 S383 T384 L385 | F322-T330 HydrophobicContact CB-CG2 3.86Å; F322-T330 HydrophobicContact CD1-CG2 3.97Å; F322-T330 HydrophobicContact CG-CG2 4.28Å; F322-I331 CarbonylContact C-O 3.47Å; F322-I331 WeakPolarHBondContact CA-O 3.47Å; F322-T332 HydrophobicContact CD1-CG2 4.3Å; F322-T332 HydrophobicContact CE1-CG2 4.01Å; F322-E382 WeakPolarHBondContact CD2-O 3.4Å; F322-E382 HydrophobicContact CE2-CB 3.89Å; F322-E382 HydrophobicContact CE2-CG 3.94Å; F322-S383 PolarHBondContact N-O 2.91Å; F322-T384 HydrophobicContact CB-CG2 4.46Å; F322-T384 CarbonylContact O-C 3.59Å; F322-T384 VanDerWaalsContact O-CA 3.3Å; F322-T384 WeakPolarHBondContact O-CA 3.45Å; F322-L385 PolarHBondContact O-N 2.94Å |
| 323 | V | 97.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 111.5 | 174.4 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | I331 L333 I348 L361 L385 L387 | V323-I331 HydrophobicContact CB-CB 4.34Å; V323-I331 PolarHBondContact N-O 2.97Å; V323-I331 PolarHBondContact O-N 3.46Å; V323-L333 HydrophobicContact CG2-CD1 3.53Å; V323-L333 HydrophobicContact CG2-CG 4.17Å; V323-I348 HydrophobicContact CG1-CD1 4.09Å; V323-I348 HydrophobicContact CG2-CD1 4.13Å; V323-L361 HydrophobicContact CG1-CD2 4.05Å; V323-L385 CarbonylContact C-O 3.5Å; V323-L385 WeakPolarHBondContact CA-O 3.24Å; V323-L385 HydrophobicContact CG2-CB 4.33Å; V323-L387 HydrophobicContact CG1-CB 3.53Å; V323-L387 HydrophobicContact CG1-CD2 4.43Å |
| 324 | K | 96.8 | Very high | 86.3 | Confident | 88 Ų | 88 | 63.4 Ų | 63.4 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123.6 | -179.3 | -155.8 | 174.1 | -172.7 | 178.6 | 0 | 110.1 | T384 L385 H386 L387 | K324-T384 HydrophobicContact CB-CG2 4.03Å; K324-L385 PolarHBondContact N-O 2.9Å; K324-H386 CarbonylContact O-C 3.59Å; K324-H386 WeakPolarHBondContact O-CA 3.44Å; K324-L387 PolarHBondContact O-N 3.5Å |
| 325 | T | 92.4 | Very high | 86.9 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 15% | 0.153 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 162.4 | 175.2 | 65.1 | 0 | 0 | 0 | 0 | 110.9 | T327 G328 K329 I331 L387 | T325-T327 PolarHBondContact O-N 2.71Å; T325-T327 PolarHBondContact OG1-OG1 3.32Å; T325-G328 PolarHBondContact O-N 3.05Å; T325-K329 HydrophobicContact CG2-CB 4.45Å; T325-K329 PolarHBondContact N-O 3.43Å; T325-K329 WeakPolarHBondContact OG1-CB 3.32Å; T325-K329 PolarHBondContact OG1-N 3.41Å; T325-K329 VanDerWaalsContact OG1-N 3.13Å; T325-K329 PolarHBondContact OG1-O 3.01Å; T325-I331 HydrophobicContact CG2-CD1 3.94Å; T325-L387 HydrophobicContact CG2-CD2 4.34Å |
| 326 | L | 86.3 | Confident | 87.9 | Confident | 136 Ų | 136 | 52.4 Ų | 52.4 | 71% | 0.712 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.8 | 174.1 | -68.6 | 178.3 | 0 | 0 | 0 | 113.9 | G328 V388 | L326-G328 PolarHBondContact O-N 3.23Å; L326-V388 HydrophobicContact CD1-CG1 4.18Å; L326-V388 HydrophobicContact CD1-CG2 4.38Å; L326-V388 HydrophobicContact CD2-CG2 4.25Å; L326-V388 HydrophobicContact CG-CG2 4.38Å |
| 327 | T | 86.4 | Confident | 89.4 | Confident | 127 Ų | 127 | 45.6 Ų | 45.6 | 78% | 0.779 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -4.4 | 175.2 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | T325 | T325-T327 PolarHBondContact O-N 2.71Å; T325-T327 PolarHBondContact OG1-OG1 3.32Å |
| 328 | G | 86.2 | Confident | 90.9 | Very high | 41 Ų | 41 | 47.1 Ų | 47.1 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 90.3 | -6.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T325 L326 T330 | T325-G328 PolarHBondContact O-N 3.05Å; L326-G328 PolarHBondContact O-N 3.23Å; G328-T330 PolarHBondContact O-N 3.27Å |
| 329 | K | 94.3 | Very high | 91.8 | Very high | 101 Ų | 101 | 47.6 Ų | 47.6 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | trans | -64.3 | 132.1 | 173.1 | -178.2 | -178.3 | 176.4 | -174.2 | 0 | 109.9 | T325 E352 | T325-K329 HydrophobicContact CG2-CB 4.45Å; T325-K329 PolarHBondContact N-O 3.43Å; T325-K329 WeakPolarHBondContact OG1-CB 3.32Å; T325-K329 PolarHBondContact OG1-N 3.41Å; T325-K329 VanDerWaalsContact OG1-N 3.13Å; T325-K329 PolarHBondContact OG1-O 3.01Å; K329-E352 WeakPolarHBondContact CE-OE1 3.44Å; K329-E352 IonicContact NZ-OE1 3.81Å; K329-E352 PolarHBondContact NZ-OE1 2.9Å; K329-E352 IonicContact NZ-OE2 3.85Å; K329-E352 PolarHBondContact NZ-OE2 3.1Å | ||
| 330 | T | 94.8 | Very high | 92.1 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 44% | 0.436 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.9 | 174.8 | -57 | 0 | 0 | 0 | 0 | 109.9 | F322 G328 | F322-T330 HydrophobicContact CB-CG2 3.86Å; F322-T330 HydrophobicContact CD1-CG2 3.97Å; F322-T330 HydrophobicContact CG-CG2 4.28Å; G328-T330 PolarHBondContact O-N 3.27Å |
| 331 | I | 93.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.3 | 176.3 | -55.8 | 149.6 | 0 | 0 | 0 | 107.5 | F322 V323 T325 L333 K351 E352 | F322-I331 CarbonylContact C-O 3.47Å; F322-I331 WeakPolarHBondContact CA-O 3.47Å; V323-I331 HydrophobicContact CB-CB 4.34Å; V323-I331 PolarHBondContact N-O 2.97Å; V323-I331 PolarHBondContact O-N 3.46Å; T325-I331 HydrophobicContact CG2-CD1 3.94Å; I331-L333 HydrophobicContact CG2-CD2 3.92Å; I331-L333 HydrophobicContact CG2-CG 4.43Å; I331-K351 HydrophobicContact CG2-CD 4.19Å; I331-E352 HydrophobicContact CD1-CG 3.6Å; I331-E352 HydrophobicContact CG1-CG 3.97Å; I331-E352 HydrophobicContact CG2-CG 4.48Å |
| 332 | T | 93.2 | Very high | 92.3 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.1 | 173.7 | -54.1 | 0 | 0 | 0 | 0 | 109.6 | Q320 F322 K351 | Q320-T332 HydrophobicContact CB-CG2 4.25Å; Q320-T332 HydrophobicContact CG-CG2 4.26Å; F322-T332 HydrophobicContact CD1-CG2 4.3Å; F322-T332 HydrophobicContact CE1-CG2 4.01Å; T332-K351 PolarHBondContact O-NZ 3.21Å |
| 333 | L | 91.1 | Very high | 92 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139.2 | 176.4 | -58.6 | 178.2 | 0 | 0 | 0 | 110.3 | Q320 I321 V323 I331 V335 V344 K347 I348 K351 | Q320-L333 CarbonylContact C-O 3.6Å; Q320-L333 VanDerWaalsContact CA-O 3.26Å; Q320-L333 WeakPolarHBondContact CA-O 3.42Å; I321-L333 HydrophobicContact CG1-CB 4.05Å; I321-L333 PolarHBondContact N-O 3.45Å; I321-L333 PolarHBondContact O-N 3.09Å; V323-L333 HydrophobicContact CG2-CD1 3.53Å; V323-L333 HydrophobicContact CG2-CG 4.17Å; I331-L333 HydrophobicContact CG2-CD2 3.92Å; I331-L333 HydrophobicContact CG2-CG 4.43Å; L333-V335 HydrophobicContact CB-CG1 4Å; L333-V344 HydrophobicContact CD1-CG1 3.83Å; L333-K347 HydrophobicContact CD2-CB 4.31Å; L333-I348 HydrophobicContact CD1-CD1 4.09Å; L333-I348 HydrophobicContact CD1-CG1 3.55Å; L333-I348 HydrophobicContact CD2-CG1 4.3Å; L333-I348 HydrophobicContact CG-CG1 4.48Å; L333-K351 HydrophobicContact CD2-CD 3.98Å |
| 334 | E | 88 | Confident | 92 | Very high | 32 Ų | 32 | 52.2 Ų | 52.2 | 15% | 0.15 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122.1 | 167.9 | -62.7 | -74.6 | 167.3 | 0 | 0 | 107.9 | Q282 Q320 K347 | Q282-E334 VanDerWaalsContact NE2-CB 3.34Å; Q320-E334 VanDerWaalsContact CG-CD 3.49Å; Q320-E334 VanDerWaalsContact CG-OE1 3.29Å; Q320-E334 WeakPolarHBondContact CG-OE1 3.21Å; Q320-E334 WeakPolarHBondContact CG-OE2 3.37Å; Q320-E334 PolarHBondContact NE2-OE1 2.97Å; E334-K347 PolarHBondContact O-NZ 2.89Å |
| 335 | V | 90.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 159.5 | -171.1 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | M319 I321 L333 D339 V344 K347 L374 | M319-V335 WeakPolarHBondContact CB-O 3.27Å; M319-V335 HydrophobicContact CE-CG2 4.22Å; M319-V335 HydrophobicContact CG-CG2 4.05Å; M319-V335 WeakPolarHBondContact O-CG2 3.45Å; M319-V335 PolarHBondContact O-N 2.97Å; I321-V335 HydrophobicContact CB-CG2 4.32Å; I321-V335 HydrophobicContact CD1-CG1 3.9Å; I321-V335 HydrophobicContact CD1-CG2 4.07Å; I321-V335 HydrophobicContact CG1-CG1 3.92Å; I321-V335 HydrophobicContact CG1-CG2 3.82Å; I321-V335 HydrophobicContact CG2-CG2 3.75Å; L333-V335 HydrophobicContact CB-CG1 4Å; V335-D339 VanDerWaalsContact CA-OD2 3.27Å; V335-D339 WeakPolarHBondContact CA-OD2 3.41Å; V335-D339 WeakPolarHBondContact CB-OD2 3.43Å; V335-V344 HydrophobicContact CG1-CG2 4.29Å; V335-K347 HydrophobicContact CG1-CD 4.16Å; V335-L374 HydrophobicContact CB-CD1 3.59Å; V335-L374 HydrophobicContact CG1-CD1 4.13Å; V335-L374 HydrophobicContact CG2-CD1 3.44Å; V335-L374 VanDerWaalsContact CG2-CD1 3.44Å |
| 336 | E | 88.6 | Confident | 91.7 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | trans | -106 | 151 | 168.8 | -66.5 | 178.1 | 177.9 | 0 | 0 | 110 | Q273 P280 S338 D339 | Q273-E336 PolarHBondContact NE2-OE1 3.43Å; Q273-E336 VanDerWaalsContact NE2-OE1 3.14Å; P280-E336 WeakPolarHBondContact CD-OE1 3.43Å; E336-S338 PolarHBondContact O-N 2.9Å; E336-S338 VanDerWaalsContact O-N 3.1Å; E336-D339 PolarHBondContact N-OD2 3.18Å; E336-D339 VanDerWaalsContact O-CB 3.3Å; E336-D339 WeakPolarHBondContact O-CB 3.35Å; E336-D339 PolarHBondContact O-N 3.47Å | ||
| 337 | P | 92.2 | Very high | 92 | Very high | 67 Ų | 67 | 45.8 Ų | 45.8 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28.6 | 175.1 | -24.7 | 33 | 0 | 0 | 0 | 113.8 | M319 S375 | M319-P337 HydrophobicContact SD-CG 3.83Å; P337-S375 WeakPolarHBondContact O-CB 3.25Å; P337-S375 PolarHBondContact O-N 2.92Å; P337-S375 PolarHBondContact O-OG 3.3Å |
| 338 | S | 91.5 | Very high | 92.4 | Very high | 74 Ų | 74 | 39.7 Ų | 39.7 | 52% | 0.517 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -12 | 176 | 38.5 | 0 | 0 | 0 | 0 | 114.2 | E336 T340 T373 | E336-S338 PolarHBondContact O-N 2.9Å; E336-S338 VanDerWaalsContact O-N 3.1Å; S338-T340 PolarHBondContact O-N 3.42Å; S338-T373 WeakPolarHBondContact O-CG2 3.2Å |
| 339 | D | 92.2 | Very high | 92.6 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | trans | -60 | 130.1 | 179.4 | -87.2 | -34.3 | 0 | 0 | 0 | 110.3 | V335 E336 N343 V344 K347 T373 L374 | V335-D339 VanDerWaalsContact CA-OD2 3.27Å; V335-D339 WeakPolarHBondContact CA-OD2 3.41Å; V335-D339 WeakPolarHBondContact CB-OD2 3.43Å; E336-D339 PolarHBondContact N-OD2 3.18Å; E336-D339 VanDerWaalsContact O-CB 3.3Å; E336-D339 WeakPolarHBondContact O-CB 3.35Å; E336-D339 PolarHBondContact O-N 3.47Å; D339-N343 HydrophobicContact CB-CB 4.27Å; D339-N343 PolarHBondContact OD1-ND2 3.24Å; D339-V344 HydrophobicContact CB-CG2 4.28Å; D339-K347 VanDerWaalsContact OD2-CE 3.23Å; D339-K347 WeakPolarHBondContact OD2-CE 3.45Å; D339-K347 IonicContact OD2-NZ 3.49Å; D339-K347 PolarHBondContact OD2-NZ 3.17Å; D339-T373 CarbonylContact O-C 3.58Å; D339-T373 WeakPolarHBondContact O-CA 3.41Å; D339-L374 HydrophobicContact CB-CD1 4.27Å; D339-L374 HydrophobicContact CB-CG 4.49Å; D339-L374 PolarHBondContact O-N 2.83Å | ||
| 340 | T | 95.6 | Very high | 92.2 | Very high | 35 Ų | 35 | 41.7 Ų | 41.7 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -70.7 | 158.3 | 170.4 | 64.8 | 0 | 0 | 0 | 0 | 110.5 | S338 E342 N343 V344 R372 | S338-T340 PolarHBondContact O-N 3.42Å; T340-E342 PolarHBondContact O-N 2.86Å; T340-N343 WeakPolarHBondContact O-CB 3.23Å; T340-N343 PolarHBondContact O-N 2.65Å; T340-N343 VanDerWaalsContact O-N 3.09Å; T340-N343 PolarHBondContact OG1-N 3.35Å; T340-N343 VanDerWaalsContact OG1-N 3.09Å; T340-N343 PolarHBondContact OG1-OD1 2.67Å; T340-N343 VanDerWaalsContact OG1-OD1 3.09Å; T340-V344 WeakPolarHBondContact O-CG2 3.47Å; T340-V344 PolarHBondContact O-N 3.4Å; T340-R372 CarbonylContact C-O 3.55Å; T340-R372 VanDerWaalsContact CA-O 3.24Å; T340-R372 WeakPolarHBondContact CA-O 3.42Å |
| 341 | I | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.4 | -30.9 | 174.5 | -60.6 | -56.4 | 0 | 0 | 0 | 111.2 | V344 K345 L361 L368 E369 D370 R372 L374 Y377 | I341-V344 PolarHBondContact O-N 2.93Å; I341-K345 WeakPolarHBondContact O-CG 3.19Å; I341-K345 PolarHBondContact O-N 3.4Å; I341-L361 HydrophobicContact CG2-CD1 4.18Å; I341-L368 HydrophobicContact CD1-CB 3.95Å; I341-L368 HydrophobicContact CD1-CD1 3.58Å; I341-L368 HydrophobicContact CD1-CG 4.31Å; I341-L368 HydrophobicContact CG1-CB 3.89Å; I341-L368 HydrophobicContact CG1-CD1 4.46Å; I341-L368 HydrophobicContact CG2-CB 3.89Å; I341-E369 WeakPolarHBondContact CB-O 2.88Å; I341-E369 VanDerWaalsContact CG1-O 3.28Å; I341-E369 WeakPolarHBondContact CG1-O 3.5Å; I341-D370 PolarHBondContact N-O 2.93Å; I341-R372 WeakPolarHBondContact CG1-O 3.33Å; I341-R372 PolarHBondContact N-O 3.04Å; I341-L374 HydrophobicContact CD1-CD2 3.96Å; I341-Y377 HydrophobicContact CD1-CD2 4.39Å; I341-Y377 HydrophobicContact CD1-CE2 4.48Å; I341-Y377 HydrophobicContact CG1-CD2 4.49Å; I341-Y377 HydrophobicContact CG1-CE2 4.13Å |
| 342 | E | 93.2 | Very high | 91.7 | Very high | 109 Ų | 109 | 46.9 Ų | 46.9 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 170.2 | -170 | 170.7 | -162.7 | 0 | 0 | 112.8 | T340 V344 K345 T346 D370 | T340-E342 PolarHBondContact O-N 2.86Å; E342-V344 VanDerWaalsContact C-N 3.31Å; E342-V344 PolarHBondContact O-N 2.73Å; E342-K345 WeakPolarHBondContact O-CB 3.4Å; E342-K345 PolarHBondContact O-N 2.72Å; E342-T346 PolarHBondContact O-N 3.01Å; E342-T346 PolarHBondContact O-OG1 2.81Å; E342-D370 HydrophobicContact CB-CB 4.27Å; E342-D370 PolarHBondContact N-O 3.09Å; E342-D370 VanDerWaalsContact N-O 3.15Å |
| 343 | N | 92.1 | Very high | 91.4 | Very high | 72 Ų | 72 | 47.2 Ų | 47.2 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 173.2 | -67.5 | -1.1 | 0 | 0 | 0 | 111 | D339 T340 K345 T346 K347 | D339-N343 HydrophobicContact CB-CB 4.27Å; D339-N343 PolarHBondContact OD1-ND2 3.24Å; T340-N343 WeakPolarHBondContact O-CB 3.23Å; T340-N343 PolarHBondContact O-N 2.65Å; T340-N343 VanDerWaalsContact O-N 3.09Å; T340-N343 PolarHBondContact OG1-N 3.35Å; T340-N343 VanDerWaalsContact OG1-N 3.09Å; T340-N343 PolarHBondContact OG1-OD1 2.67Å; T340-N343 VanDerWaalsContact OG1-OD1 3.09Å; N343-K345 VanDerWaalsContact C-N 3.32Å; N343-K345 PolarHBondContact O-N 3.28Å; N343-T346 WeakPolarHBondContact O-CB 3.41Å; N343-T346 PolarHBondContact O-N 3.46Å; N343-K347 WeakPolarHBondContact O-CG 3.31Å; N343-K347 PolarHBondContact O-N 3.45Å |
| 344 | V | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 178.1 | 177.6 | 0 | 0 | 0 | 0 | 111 | I321 L333 V335 D339 T340 I341 E342 K347 I348 L361 L374 | I321-V344 HydrophobicContact CD1-CG1 4.22Å; L333-V344 HydrophobicContact CD1-CG1 3.83Å; V335-V344 HydrophobicContact CG1-CG2 4.29Å; D339-V344 HydrophobicContact CB-CG2 4.28Å; T340-V344 WeakPolarHBondContact O-CG2 3.47Å; T340-V344 PolarHBondContact O-N 3.4Å; I341-V344 PolarHBondContact O-N 2.93Å; E342-V344 VanDerWaalsContact C-N 3.31Å; E342-V344 PolarHBondContact O-N 2.73Å; V344-K347 PolarHBondContact O-N 3.35Å; V344-I348 HydrophobicContact CG1-CD1 4.31Å; V344-I348 WeakPolarHBondContact O-CG1 3.29Å; V344-I348 PolarHBondContact O-N 3.21Å; V344-L361 HydrophobicContact CB-CD1 4.32Å; V344-L361 HydrophobicContact CG1-CD1 3.76Å; V344-L374 HydrophobicContact CG2-CD1 4.09Å; V344-L374 HydrophobicContact CG2-CD2 4.01Å; V344-L374 HydrophobicContact CG2-CG 4.11Å |
| 345 | K | 94.2 | Very high | 90.8 | Very high | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 175.8 | -73.9 | 172.1 | 163.2 | -169.1 | 0 | 112.5 | I341 E342 N343 K347 I348 Q349 P356 Q359 L361 D370 | I341-K345 WeakPolarHBondContact O-CG 3.19Å; I341-K345 PolarHBondContact O-N 3.4Å; E342-K345 WeakPolarHBondContact O-CB 3.4Å; E342-K345 PolarHBondContact O-N 2.72Å; N343-K345 VanDerWaalsContact C-N 3.32Å; N343-K345 PolarHBondContact O-N 3.28Å; K345-K347 VanDerWaalsContact C-N 3.35Å; K345-I348 WeakPolarHBondContact O-CB 3.37Å; K345-I348 PolarHBondContact O-N 2.75Å; K345-I348 VanDerWaalsContact O-N 3.14Å; K345-Q349 PolarHBondContact O-N 3.36Å; K345-P356 HydrophobicContact CB-CB 3.85Å; K345-P356 HydrophobicContact CB-CG 4.36Å; K345-P356 HydrophobicContact CD-CB 4.2Å; K345-P356 PolarHBondContact NZ-O 3.44Å; K345-Q359 HydrophobicContact CD-CB 4.38Å; K345-Q359 WeakPolarHBondContact CE-O 3.43Å; K345-Q359 HydrophobicContact CG-CB 4.06Å; K345-Q359 PolarHBondContact NZ-O 2.84Å; K345-Q359 PolarHBondContact O-NE2 3.35Å; K345-Q359 PolarHBondContact O-OE1 3.26Å; K345-L361 HydrophobicContact CG-CD1 3.95Å; K345-L361 HydrophobicContact CG-CG 4.47Å; K345-D370 WeakPolarHBondContact CE-OD1 3.31Å; K345-D370 VanDerWaalsContact NZ-CG 3.26Å; K345-D370 IonicContact NZ-OD1 2.89Å; K345-D370 PolarHBondContact NZ-OD1 2.94Å; K345-D370 IonicContact NZ-OD2 2.9Å; K345-D370 PolarHBondContact NZ-OD2 3.32Å |
| 346 | T | 90.6 | Very high | 90.7 | Very high | 55 Ų | 55 | 48.5 Ų | 48.5 | 34% | 0.337 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 174.5 | -52.7 | 0 | 0 | 0 | 0 | 110.5 | E342 N343 I348 Q349 D350 | E342-T346 PolarHBondContact O-N 3.01Å; E342-T346 PolarHBondContact O-OG1 2.81Å; N343-T346 WeakPolarHBondContact O-CB 3.41Å; N343-T346 PolarHBondContact O-N 3.46Å; T346-I348 PolarHBondContact O-N 3.36Å; T346-Q349 WeakPolarHBondContact O-CA 3.49Å; T346-Q349 VanDerWaalsContact O-CB 3.28Å; T346-Q349 WeakPolarHBondContact O-CB 3.23Å; T346-Q349 PolarHBondContact O-N 3.45Å; T346-D350 VanDerWaalsContact O-CG 3.31Å; T346-D350 PolarHBondContact O-N 3.31Å |
| 347 | K | 92.5 | Very high | 90.3 | Very high | 51 Ų | 51 | 48.5 Ų | 48.5 | 22% | 0.222 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.4 | -30.9 | 174.7 | -67.9 | 169.2 | -172.1 | -101.4 | 0 | 113.3 | L333 E334 V335 D339 N343 V344 K345 K351 | L333-K347 HydrophobicContact CD2-CB 4.31Å; E334-K347 PolarHBondContact O-NZ 2.89Å; V335-K347 HydrophobicContact CG1-CD 4.16Å; D339-K347 VanDerWaalsContact OD2-CE 3.23Å; D339-K347 WeakPolarHBondContact OD2-CE 3.45Å; D339-K347 IonicContact OD2-NZ 3.49Å; D339-K347 PolarHBondContact OD2-NZ 3.17Å; N343-K347 WeakPolarHBondContact O-CG 3.31Å; N343-K347 PolarHBondContact O-N 3.45Å; V344-K347 PolarHBondContact O-N 3.35Å; K345-K347 VanDerWaalsContact C-N 3.35Å; K347-K351 PolarHBondContact O-N 2.98Å |
| 348 | I | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.5 | -42 | 173 | -66.5 | 163.4 | 0 | 0 | 0 | 110.5 | V323 L333 V344 K345 T346 D350 K351 E352 Q359 L361 L387 | V323-I348 HydrophobicContact CG1-CD1 4.09Å; V323-I348 HydrophobicContact CG2-CD1 4.13Å; L333-I348 HydrophobicContact CD1-CD1 4.09Å; L333-I348 HydrophobicContact CD1-CG1 3.55Å; L333-I348 HydrophobicContact CD2-CG1 4.3Å; L333-I348 HydrophobicContact CG-CG1 4.48Å; V344-I348 HydrophobicContact CG1-CD1 4.31Å; V344-I348 WeakPolarHBondContact O-CG1 3.29Å; V344-I348 PolarHBondContact O-N 3.21Å; K345-I348 WeakPolarHBondContact O-CB 3.37Å; K345-I348 PolarHBondContact O-N 2.75Å; K345-I348 VanDerWaalsContact O-N 3.14Å; T346-I348 PolarHBondContact O-N 3.36Å; I348-D350 VanDerWaalsContact C-N 3.31Å; I348-D350 PolarHBondContact O-N 3.31Å; I348-K351 PolarHBondContact O-N 3.47Å; I348-E352 WeakPolarHBondContact O-CB 3.43Å; I348-E352 PolarHBondContact O-N 2.73Å; I348-Q359 VanDerWaalsContact CD1-OE1 3.28Å; I348-L361 HydrophobicContact CD1-CD1 4.02Å; I348-L361 HydrophobicContact CD1-CD2 3.71Å; I348-L361 HydrophobicContact CD1-CG 4.37Å; I348-L387 HydrophobicContact CG2-CD2 4.07Å |
| 349 | Q | 90.1 | Very high | 89.9 | Confident | 60 Ų | 60 | 43.7 Ų | 43.7 | 28% | 0.28 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.9 | -46.3 | 175.2 | -177.3 | -176.3 | 14.2 | 0 | 0 | 110.7 | K345 T346 K351 E352 G353 I354 P356 | K345-Q349 PolarHBondContact O-N 3.36Å; T346-Q349 WeakPolarHBondContact O-CA 3.49Å; T346-Q349 VanDerWaalsContact O-CB 3.28Å; T346-Q349 WeakPolarHBondContact O-CB 3.23Å; T346-Q349 PolarHBondContact O-N 3.45Å; Q349-K351 VanDerWaalsContact C-N 3.25Å; Q349-K351 PolarHBondContact O-N 3Å; Q349-E352 PolarHBondContact O-N 3.02Å; Q349-G353 WeakPolarHBondContact O-CA 2.87Å; Q349-G353 PolarHBondContact O-N 3.07Å; Q349-I354 VanDerWaalsContact CA-O 3.27Å; Q349-I354 WeakPolarHBondContact CA-O 3.19Å; Q349-I354 WeakPolarHBondContact CB-O 3.12Å; Q349-P356 VanDerWaalsContact OE1-CD 3.25Å |
| 350 | D | 85.8 | Confident | 89.9 | Confident | 123 Ų | 123 | 47.8 Ų | 47.8 | 66% | 0.658 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -60.6 | -35.5 | 179.5 | -63.8 | -25.3 | 0 | 0 | 0 | 112.5 | T346 I348 | T346-D350 VanDerWaalsContact O-CG 3.31Å; T346-D350 PolarHBondContact O-N 3.31Å; I348-D350 VanDerWaalsContact C-N 3.31Å; I348-D350 PolarHBondContact O-N 3.31Å |
| 351 | K | 89 | Confident | 89.9 | Confident | 121 Ų | 121 | 46.2 Ų | 46.2 | 53% | 0.526 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -86 | -35 | -178.6 | -75.4 | -158.9 | 178 | -166.5 | 0 | 114.7 | I331 T332 L333 K347 I348 Q349 | I331-K351 HydrophobicContact CG2-CD 4.19Å; T332-K351 PolarHBondContact O-NZ 3.21Å; L333-K351 HydrophobicContact CD2-CD 3.98Å; K347-K351 PolarHBondContact O-N 2.98Å; I348-K351 PolarHBondContact O-N 3.47Å; Q349-K351 VanDerWaalsContact C-N 3.25Å; Q349-K351 PolarHBondContact O-N 3Å |
| 352 | E | 90.6 | Very high | 89.9 | Confident | 66 Ų | 66 | 48.4 Ų | 48.4 | 31% | 0.308 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -121.9 | -4.9 | -168 | -63.9 | -71.7 | 144.4 | 0 | 0 | 113.4 | K329 I331 I348 Q349 I354 | K329-E352 WeakPolarHBondContact CE-OE1 3.44Å; K329-E352 IonicContact NZ-OE1 3.81Å; K329-E352 PolarHBondContact NZ-OE1 2.9Å; K329-E352 IonicContact NZ-OE2 3.85Å; K329-E352 PolarHBondContact NZ-OE2 3.1Å; I331-E352 HydrophobicContact CD1-CG 3.6Å; I331-E352 HydrophobicContact CG1-CG 3.97Å; I331-E352 HydrophobicContact CG2-CG 4.48Å; I348-E352 WeakPolarHBondContact O-CB 3.43Å; I348-E352 PolarHBondContact O-N 2.73Å; Q349-E352 PolarHBondContact O-N 3.02Å; E352-I354 HydrophobicContact CB-CD1 3.91Å; E352-I354 HydrophobicContact CB-CG1 3.94Å; E352-I354 PolarHBondContact O-N 2.71Å |
| 353 | G | 85.4 | Confident | 90.1 | Very high | 60 Ų | 60 | 45.2 Ų | 45.2 | 62% | 0.619 | 24% | 0.236 | S | C | * | . | trans | 71.1 | 14.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q349 P355 | Q349-G353 WeakPolarHBondContact O-CA 2.87Å; Q349-G353 PolarHBondContact O-N 3.07Å; G353-P355 WeakPolarHBondContact O-CD 3.45Å | ||
| 354 | I | 85.1 | Confident | 90.2 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | trans | -92.2 | 117.1 | -175.2 | -54.9 | 174.8 | 0 | 0 | 0 | 109.4 | Q349 E352 Q358 Q359 L387 L389 | Q349-I354 VanDerWaalsContact CA-O 3.27Å; Q349-I354 WeakPolarHBondContact CA-O 3.19Å; Q349-I354 WeakPolarHBondContact CB-O 3.12Å; E352-I354 HydrophobicContact CB-CD1 3.91Å; E352-I354 HydrophobicContact CB-CG1 3.94Å; E352-I354 PolarHBondContact O-N 2.71Å; I354-Q358 HydrophobicContact CG2-CB 4.33Å; I354-Q359 HydrophobicContact CB-CG 4.48Å; I354-Q359 HydrophobicContact CG2-CG 3.77Å; I354-Q359 PolarHBondContact O-NE2 2.67Å; I354-L387 HydrophobicContact CD1-CD2 4.12Å; I354-L389 HydrophobicContact CD1-CD2 4.05Å; I354-L389 HydrophobicContact CG2-CD2 3.65Å | ||
| 355 | P | 82.8 | Confident | 90 | Very high | 23 Ų | 23 | 50 Ų | 50 | 15% | 0.149 | 29% | 0.293 | C | S | . | . | trans | -60.8 | 142.2 | -179.7 | -26.9 | 37.3 | 0 | 0 | 0 | 113.9 | G353 D357 Q358 Q359 | G353-P355 WeakPolarHBondContact O-CD 3.45Å; P355-D357 VanDerWaalsContact C-N 3.28Å; P355-D357 VanDerWaalsContact CB-OD1 3.26Å; P355-D357 WeakPolarHBondContact CB-OD1 3.29Å; P355-D357 PolarHBondContact O-N 2.84Å; P355-Q358 HydrophobicContact CB-CG 4.47Å; P355-Q358 WeakPolarHBondContact O-CB 3.45Å; P355-Q358 PolarHBondContact O-N 3.36Å; P355-Q358 VanDerWaalsContact O-N 3.08Å; P355-Q359 WeakPolarHBondContact O-CG 3.38Å | ||
| 356 | P | 86.8 | Confident | 90 | Very high | 13 Ų | 13 | 54.7 Ų | 54.7 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -55.2 | -33 | -175.8 | -30.9 | 37.6 | 0 | 0 | 0 | 115.8 | K345 Q349 Q358 Q359 | K345-P356 HydrophobicContact CB-CB 3.85Å; K345-P356 HydrophobicContact CB-CG 4.36Å; K345-P356 HydrophobicContact CD-CB 4.2Å; K345-P356 PolarHBondContact NZ-O 3.44Å; Q349-P356 VanDerWaalsContact OE1-CD 3.25Å; P356-Q358 VanDerWaalsContact C-N 3.33Å; P356-Q358 PolarHBondContact O-N 3.19Å; P356-Q359 WeakPolarHBondContact O-CB 3.32Å; P356-Q359 PolarHBondContact O-N 3.03Å; P356-Q359 VanDerWaalsContact O-N 3.15Å |
| 357 | D | 80.4 | Confident | 90.2 | Very high | 39 Ų | 39 | 56 Ų | 56 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -70.1 | -27.1 | 179.3 | 62.7 | -11.3 | 0 | 0 | 0 | 113.5 | P355 Q359 G394 | P355-D357 VanDerWaalsContact C-N 3.28Å; P355-D357 VanDerWaalsContact CB-OD1 3.26Å; P355-D357 WeakPolarHBondContact CB-OD1 3.29Å; P355-D357 PolarHBondContact O-N 2.84Å; D357-Q359 VanDerWaalsContact C-N 3.31Å; D357-G394 WeakPolarHBondContact OD2-CA 3.42Å |
| 358 | Q | 84.9 | Confident | 90.4 | Very high | 41 Ų | 41 | 53.7 Ų | 53.7 | 19% | 0.192 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -80 | -14.9 | 172.2 | -61.7 | -173.6 | 0.5 | 0 | 0 | 112.4 | I354 P355 P356 L389 R390 E410 | I354-Q358 HydrophobicContact CG2-CB 4.33Å; P355-Q358 HydrophobicContact CB-CG 4.47Å; P355-Q358 WeakPolarHBondContact O-CB 3.45Å; P355-Q358 PolarHBondContact O-N 3.36Å; P355-Q358 VanDerWaalsContact O-N 3.08Å; P356-Q358 VanDerWaalsContact C-N 3.33Å; P356-Q358 PolarHBondContact O-N 3.19Å; Q358-L389 CarbonylContact O-C 3.59Å; Q358-L389 WeakPolarHBondContact O-CA 3.41Å; Q358-R390 PolarHBondContact O-N 2.88Å; Q358-E410 PolarHBondContact NE2-OE1 3.26Å |
| 359 | Q | 90.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.6 | -176.3 | -59.8 | 178.9 | 34.6 | 0 | 0 | 111.8 | K345 I348 I354 P355 P356 D357 L387 | K345-Q359 HydrophobicContact CD-CB 4.38Å; K345-Q359 WeakPolarHBondContact CE-O 3.43Å; K345-Q359 HydrophobicContact CG-CB 4.06Å; K345-Q359 PolarHBondContact NZ-O 2.84Å; K345-Q359 PolarHBondContact O-NE2 3.35Å; K345-Q359 PolarHBondContact O-OE1 3.26Å; I348-Q359 VanDerWaalsContact CD1-OE1 3.28Å; I354-Q359 HydrophobicContact CB-CG 4.48Å; I354-Q359 HydrophobicContact CG2-CG 3.77Å; I354-Q359 PolarHBondContact O-NE2 2.67Å; P355-Q359 WeakPolarHBondContact O-CG 3.38Å; P356-Q359 WeakPolarHBondContact O-CB 3.32Å; P356-Q359 PolarHBondContact O-N 3.03Å; P356-Q359 VanDerWaalsContact O-N 3.15Å; D357-Q359 VanDerWaalsContact C-N 3.31Å; Q359-L387 HydrophobicContact CB-CD1 3.71Å; Q359-L387 HydrophobicContact CG-CD1 3.93Å |
| 360 | R | 92.1 | Very high | 90.3 | Very high | 100 Ų | 100 | 58.4 Ų | 58.4 | 38% | 0.377 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 110.2 | 164.1 | -119.4 | -179.5 | 178.3 | 167.8 | 7.1 | 109 | Q367 V388 R390 | R360-Q367 HydrophobicContact CG-CG 4.17Å; R360-Q367 VanDerWaalsContact NE-CD 3.33Å; R360-Q367 VanDerWaalsContact NH2-OE1 3.15Å; R360-V388 WeakPolarHBondContact CA-O 3.26Å; R360-V388 HydrophobicContact CB-CB 4.12Å; R360-V388 WeakPolarHBondContact CB-O 3.37Å; R360-V388 PolarHBondContact N-O 3.08Å; R360-V388 PolarHBondContact O-N 2.9Å; R360-R390 HydrophobicContact CG-CG 4.48Å |
| 361 | L | 95.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 132.9 | 174 | -65.1 | 177.9 | 0 | 0 | 0 | 110.4 | V323 I341 V344 K345 I348 L368 L385 H386 L387 | V323-L361 HydrophobicContact CG1-CD2 4.05Å; I341-L361 HydrophobicContact CG2-CD1 4.18Å; V344-L361 HydrophobicContact CB-CD1 4.32Å; V344-L361 HydrophobicContact CG1-CD1 3.76Å; K345-L361 HydrophobicContact CG-CD1 3.95Å; K345-L361 HydrophobicContact CG-CG 4.47Å; I348-L361 HydrophobicContact CD1-CD1 4.02Å; I348-L361 HydrophobicContact CD1-CD2 3.71Å; I348-L361 HydrophobicContact CD1-CG 4.37Å; L361-L368 HydrophobicContact CB-CB 4.38Å; L361-L368 HydrophobicContact CB-CD1 4.04Å; L361-L368 HydrophobicContact CB-CG 4.4Å; L361-L368 PolarHBondContact O-N 3.38Å; L361-L385 HydrophobicContact CB-CD2 4.43Å; L361-L385 HydrophobicContact CD1-CD2 4.34Å; L361-H386 WeakPolarHBondContact CA-O 3.3Å; L361-L387 HydrophobicContact CD2-CB 4.23Å; L361-L387 HydrophobicContact CD2-CD1 3.97Å |
| 362 | I | 96.8 | Very high | 90.8 | Very high | 46 Ų | 46 | 55 Ų | 55 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.8 | -179.1 | -56.5 | 173.2 | 0 | 0 | 0 | 108.4 | K366 L385 H386 V388 | I362-K366 CarbonylContact C-O 3.57Å; I362-K366 VanDerWaalsContact CA-O 3.32Å; I362-K366 WeakPolarHBondContact CA-O 3.38Å; I362-L385 CarbonylContact O-C 3.58Å; I362-L385 WeakPolarHBondContact O-CA 3.12Å; I362-H386 HydrophobicContact CB-CB 4.33Å; I362-H386 PolarHBondContact N-O 3.03Å; I362-H386 PolarHBondContact O-N 2.85Å; I362-V388 HydrophobicContact CD1-CG2 3.74Å |
| 363 | F | 97.6 | Very high | 91.1 | Very high | 42 Ų | 42 | 53.1 Ų | 53.1 | 18% | 0.184 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 134.7 | 172.8 | -177.1 | -115.1 | 0 | 0 | 0 | 109.5 | G365 K366 L368 I379 L385 | F363-G365 PolarHBondContact O-N 3.15Å; F363-G365 VanDerWaalsContact O-N 3.11Å; F363-K366 PolarHBondContact N-O 2.93Å; F363-K366 PolarHBondContact O-N 3.26Å; F363-L368 HydrophobicContact CB-CD1 4.1Å; F363-L368 HydrophobicContact CB-CD2 3.89Å; F363-L368 HydrophobicContact CB-CG 4.29Å; F363-I379 HydrophobicContact CB-CD1 4.25Å; F363-I379 HydrophobicContact CB-CG1 4.47Å; F363-I379 HydrophobicContact CD1-CD1 4.09Å; F363-I379 HydrophobicContact CD1-CG1 3.45Å; F363-I379 VanDerWaalsContact CD1-CG1 3.45Å; F363-I379 HydrophobicContact CD2-CG1 4.24Å; F363-I379 HydrophobicContact CE1-CB 4.49Å; F363-I379 HydrophobicContact CE1-CG1 3.57Å; F363-I379 HydrophobicContact CE2-CG1 4.36Å; F363-I379 HydrophobicContact CG-CD1 4.11Å; F363-I379 HydrophobicContact CG-CG1 3.8Å; F363-I379 HydrophobicContact CZ-CG1 4.04Å; F363-L385 HydrophobicContact CB-CG 4.23Å; F363-L385 HydrophobicContact CD2-CD1 3.85Å; F363-L385 HydrophobicContact CD2-CG 4.35Å; F363-L385 HydrophobicContact CE2-CD1 4.49Å; F363-L385 HydrophobicContact CG-CD1 4.41Å |
| 364 | A | 94.1 | Very high | 91.6 | Very high | 95 Ų | 95 | 50.2 Ų | 50.2 | 79% | 0.785 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 40 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | K366 | A364-K366 PolarHBondContact O-N 3.17Š|
| 365 | G | 91.4 | Very high | 92.1 | Very high | 77 Ų | 77 | 52 Ų | 52 | 79% | 0.794 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | -3.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F363 | F363-G365 PolarHBondContact O-N 3.15Å; F363-G365 VanDerWaalsContact O-N 3.11Å |
| 366 | K | 94.4 | Very high | 92.7 | Very high | 106 Ų | 106 | 55.4 Ų | 55.4 | 46% | 0.461 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.8 | 178.5 | -170.1 | 176.9 | 177.9 | -176.9 | 0 | 111 | I362 F363 A364 Y377 | I362-K366 CarbonylContact C-O 3.57Å; I362-K366 VanDerWaalsContact CA-O 3.32Å; I362-K366 WeakPolarHBondContact CA-O 3.38Å; F363-K366 PolarHBondContact N-O 2.93Å; F363-K366 PolarHBondContact O-N 3.26Å; A364-K366 PolarHBondContact O-N 3.17Å; K366-Y377 HydrophobicContact CD-CE1 4.12Å |
| 367 | Q | 94.1 | Very high | 93.2 | Very high | 82 Ų | 82 | 56.1 Ų | 56.1 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 133.6 | 169.5 | -171.8 | -168.6 | -42.7 | 0 | 0 | 109.7 | R360 | R360-Q367 HydrophobicContact CG-CG 4.17Å; R360-Q367 VanDerWaalsContact NE-CD 3.33Å; R360-Q367 VanDerWaalsContact NH2-OE1 3.15Å |
| 368 | L | 96 | Very high | 93.9 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 146.4 | 179 | -53.6 | -175.8 | 0 | 0 | 0 | 111.3 | I341 L361 F363 Y377 I379 L385 | I341-L368 HydrophobicContact CD1-CB 3.95Å; I341-L368 HydrophobicContact CD1-CD1 3.58Å; I341-L368 HydrophobicContact CD1-CG 4.31Å; I341-L368 HydrophobicContact CG1-CB 3.89Å; I341-L368 HydrophobicContact CG1-CD1 4.46Å; I341-L368 HydrophobicContact CG2-CB 3.89Å; L361-L368 HydrophobicContact CB-CB 4.38Å; L361-L368 HydrophobicContact CB-CD1 4.04Å; L361-L368 HydrophobicContact CB-CG 4.4Å; L361-L368 PolarHBondContact O-N 3.38Å; F363-L368 HydrophobicContact CB-CD1 4.1Å; F363-L368 HydrophobicContact CB-CD2 3.89Å; F363-L368 HydrophobicContact CB-CG 4.29Å; L368-Y377 HydrophobicContact CB-CE2 4.19Å; L368-Y377 HydrophobicContact CD2-CD1 3.68Å; L368-Y377 HydrophobicContact CD2-CD2 3.74Å; L368-Y377 HydrophobicContact CD2-CE1 3.77Å; L368-Y377 HydrophobicContact CD2-CE2 3.79Å; L368-Y377 HydrophobicContact CD2-CG 3.66Å; L368-I379 HydrophobicContact CD1-CD1 3.84Å; L368-I379 HydrophobicContact CD2-CD1 4.47Å; L368-L385 HydrophobicContact CD1-CD2 3.57Å; L368-L385 HydrophobicContact CD1-CG 4.13Å |
| 369 | E | 93.3 | Very high | 94.5 | Very high | 93 Ų | 93 | 57.9 Ų | 57.9 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -102.7 | 133.8 | -179.2 | -67.5 | 161.7 | -151.3 | 0 | 0 | 110.2 | I341 G371 R372 Y377 | I341-E369 WeakPolarHBondContact CB-O 2.88Å; I341-E369 VanDerWaalsContact CG1-O 3.28Å; I341-E369 WeakPolarHBondContact CG1-O 3.5Å; E369-G371 VanDerWaalsContact C-N 3.33Å; E369-G371 PolarHBondContact O-N 3.28Å; E369-R372 HydrophobicContact CB-CG 4.31Å; E369-R372 PolarHBondContact O-N 3.1Å; E369-R372 VanDerWaalsContact O-N 3.15Å; E369-R372 IonicContact OE1-NH2 3.17Å; E369-R372 IonicContact OE2-CZ 2.89Å; E369-R372 IonicContact OE2-NE 2.68Å; E369-R372 PolarHBondContact OE2-NE 3.27Å; E369-R372 IonicContact OE2-NH2 2.7Å; E369-R372 PolarHBondContact OE2-NH2 2.9Å; E369-Y377 WeakPolarHBondContact CB-OH 3.25Å; E369-Y377 WeakPolarHBondContact CG-OH 3.42Å; E369-Y377 PolarHBondContact N-OH 3.3Å |
| 370 | D | 89.4 | Confident | 94.6 | Very high | 66 Ų | 66 | 63.6 Ų | 63.6 | 35% | 0.353 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -39.5 | -169.1 | -69.2 | -8 | 0 | 0 | 0 | 113.8 | I341 E342 K345 R372 | I341-D370 PolarHBondContact N-O 2.93Å; E342-D370 HydrophobicContact CB-CB 4.27Å; E342-D370 PolarHBondContact N-O 3.09Å; E342-D370 VanDerWaalsContact N-O 3.15Å; K345-D370 WeakPolarHBondContact CE-OD1 3.31Å; K345-D370 VanDerWaalsContact NZ-CG 3.26Å; K345-D370 IonicContact NZ-OD1 2.89Å; K345-D370 PolarHBondContact NZ-OD1 2.94Å; K345-D370 IonicContact NZ-OD2 2.9Å; K345-D370 PolarHBondContact NZ-OD2 3.32Å; D370-R372 PolarHBondContact O-N 3.04Å |
| 371 | G | 89.7 | Confident | 94.7 | Very high | 71 Ų | 71 | 64.6 Ų | 64.6 | 73% | 0.732 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 1.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | E369 | E369-G371 VanDerWaalsContact C-N 3.33Å; E369-G371 PolarHBondContact O-N 3.28Å |
| 372 | R | 95.3 | Very high | 94.6 | Very high | 100 Ų | 100 | 70.6 Ų | 70.6 | 38% | 0.377 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -98.7 | 158.6 | 175.6 | -67.4 | -161.6 | -163.8 | -141.2 | -4.1 | 111.2 | T340 I341 E369 D370 D376 Y377 | T340-R372 CarbonylContact C-O 3.55Å; T340-R372 VanDerWaalsContact CA-O 3.24Å; T340-R372 WeakPolarHBondContact CA-O 3.42Å; I341-R372 WeakPolarHBondContact CG1-O 3.33Å; I341-R372 PolarHBondContact N-O 3.04Å; E369-R372 HydrophobicContact CB-CG 4.31Å; E369-R372 PolarHBondContact O-N 3.1Å; E369-R372 VanDerWaalsContact O-N 3.15Å; E369-R372 IonicContact OE1-NH2 3.17Å; E369-R372 IonicContact OE2-CZ 2.89Å; E369-R372 IonicContact OE2-NE 2.68Å; E369-R372 PolarHBondContact OE2-NE 3.27Å; E369-R372 IonicContact OE2-NH2 2.7Å; E369-R372 PolarHBondContact OE2-NH2 2.9Å; D370-R372 PolarHBondContact O-N 3.04Å; R372-D376 HydrophobicContact CB-CB 4.22Å; R372-Y377 HydrophobicContact CB-CD2 4.31Å; R372-Y377 HydrophobicContact CB-CE2 3.6Å; R372-Y377 HydrophobicContact CG-CE2 4.31Å |
| 373 | T | 96.5 | Very high | 94.6 | Very high | 27 Ų | 27 | 69.4 Ų | 69.4 | 17% | 0.166 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -91.8 | 168.1 | 178.4 | 70.6 | 0 | 0 | 0 | 0 | 113 | S338 D339 S375 D376 Y377 | S338-T373 WeakPolarHBondContact O-CG2 3.2Å; D339-T373 CarbonylContact O-C 3.58Å; D339-T373 WeakPolarHBondContact O-CA 3.41Å; T373-S375 VanDerWaalsContact C-N 3.27Å; T373-S375 PolarHBondContact O-N 2.9Å; T373-S375 PolarHBondContact OG1-N 3.48Å; T373-S375 PolarHBondContact OG1-OG 3.05Å; T373-D376 PolarHBondContact N-OD2 2.68Å; T373-D376 PolarHBondContact O-N 3.05Å; T373-D376 VanDerWaalsContact OG1-CG 3.27Å; T373-D376 PolarHBondContact OG1-N 3.1Å; T373-D376 PolarHBondContact OG1-OD2 3.25Å; T373-Y377 WeakPolarHBondContact O-CD2 3.47Å |
| 374 | L | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -39.2 | 169.6 | -69.1 | -178.4 | 0 | 0 | 0 | 112.1 | M319 I321 V335 D339 I341 V344 D376 Y377 N378 I379 | M319-L374 HydrophobicContact CE-CD1 4.35Å; I321-L374 HydrophobicContact CD1-CD1 4.19Å; I321-L374 HydrophobicContact CD1-CD2 4.28Å; V335-L374 HydrophobicContact CB-CD1 3.59Å; V335-L374 HydrophobicContact CG1-CD1 4.13Å; V335-L374 HydrophobicContact CG2-CD1 3.44Å; V335-L374 VanDerWaalsContact CG2-CD1 3.44Å; D339-L374 HydrophobicContact CB-CD1 4.27Å; D339-L374 HydrophobicContact CB-CG 4.49Å; D339-L374 PolarHBondContact O-N 2.83Å; I341-L374 HydrophobicContact CD1-CD2 3.96Å; V344-L374 HydrophobicContact CG2-CD1 4.09Å; V344-L374 HydrophobicContact CG2-CD2 4.01Å; V344-L374 HydrophobicContact CG2-CG 4.11Å; L374-D376 VanDerWaalsContact C-N 3.35Å; L374-D376 PolarHBondContact O-N 3.33Å; L374-Y377 PolarHBondContact O-N 2.96Å; L374-N378 PolarHBondContact O-N 2.9Å; L374-I379 HydrophobicContact CB-CB 4.25Å; L374-I379 HydrophobicContact CD2-CB 4.15Å; L374-I379 HydrophobicContact CD2-CD1 3.59Å; L374-I379 HydrophobicContact CD2-CG1 4.47Å; L374-I379 HydrophobicContact CD2-CG2 4.06Å; L374-I379 WeakPolarHBondContact O-CB 2.9Å; L374-I379 PolarHBondContact O-N 3.45Å |
| 375 | S | 95.4 | Very high | 94.7 | Very high | 64 Ų | 64 | 65.8 Ų | 65.8 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -64.8 | -35.4 | 177.3 | 64.7 | 0 | 0 | 0 | 0 | 112.9 | P337 T373 Y377 N378 | P337-S375 WeakPolarHBondContact O-CB 3.25Å; P337-S375 PolarHBondContact O-N 2.92Å; P337-S375 PolarHBondContact O-OG 3.3Å; T373-S375 VanDerWaalsContact C-N 3.27Å; T373-S375 PolarHBondContact O-N 2.9Å; T373-S375 PolarHBondContact OG1-N 3.48Å; T373-S375 PolarHBondContact OG1-OG 3.05Å; S375-Y377 PolarHBondContact O-N 3.08Å; S375-N378 WeakPolarHBondContact O-CA 3.41Å; S375-N378 PolarHBondContact O-N 3.32Å |
| 376 | D | 96.3 | Very high | 95 | Very high | 95 Ų | 95 | 66.5 Ų | 66.5 | 51% | 0.508 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -60.4 | -30.2 | 177.7 | -68.9 | -24.4 | 0 | 0 | 0 | 112.6 | R372 T373 L374 | R372-D376 HydrophobicContact CB-CB 4.22Å; T373-D376 PolarHBondContact N-OD2 2.68Å; T373-D376 PolarHBondContact O-N 3.05Å; T373-D376 VanDerWaalsContact OG1-CG 3.27Å; T373-D376 PolarHBondContact OG1-N 3.1Å; T373-D376 PolarHBondContact OG1-OD2 3.25Å; L374-D376 VanDerWaalsContact C-N 3.35Å; L374-D376 PolarHBondContact O-N 3.33Å |
| 377 | Y | 96.7 | Very high | 95.1 | Very high | 29 Ų | 29 | 61.6 Ų | 61.6 | 11% | 0.114 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -95 | 3.9 | 175.5 | -69.6 | -73.8 | 0 | 0 | 0 | 113.4 | I341 K366 L368 E369 R372 T373 L374 S375 I379 | I341-Y377 HydrophobicContact CD1-CD2 4.39Å; I341-Y377 HydrophobicContact CD1-CE2 4.48Å; I341-Y377 HydrophobicContact CG1-CD2 4.49Å; I341-Y377 HydrophobicContact CG1-CE2 4.13Å; K366-Y377 HydrophobicContact CD-CE1 4.12Å; L368-Y377 HydrophobicContact CB-CE2 4.19Å; L368-Y377 HydrophobicContact CD2-CD1 3.68Å; L368-Y377 HydrophobicContact CD2-CD2 3.74Å; L368-Y377 HydrophobicContact CD2-CE1 3.77Å; L368-Y377 HydrophobicContact CD2-CE2 3.79Å; L368-Y377 HydrophobicContact CD2-CG 3.66Å; E369-Y377 WeakPolarHBondContact CB-OH 3.25Å; E369-Y377 WeakPolarHBondContact CG-OH 3.42Å; E369-Y377 PolarHBondContact N-OH 3.3Å; R372-Y377 HydrophobicContact CB-CD2 4.31Å; R372-Y377 HydrophobicContact CB-CE2 3.6Å; R372-Y377 HydrophobicContact CG-CE2 4.31Å; T373-Y377 WeakPolarHBondContact O-CD2 3.47Å; L374-Y377 PolarHBondContact O-N 2.96Å; S375-Y377 PolarHBondContact O-N 3.08Å; Y377-I379 PolarHBondContact O-N 2.94Å |
| 378 | N | 95.9 | Very high | 95 | Very high | 110 Ų | 110 | 59.6 Ų | 59.6 | 59% | 0.588 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 38.8 | -173.5 | -166.7 | 29.5 | 0 | 0 | 0 | 112.2 | L374 S375 Q380 | L374-N378 PolarHBondContact O-N 2.9Å; S375-N378 WeakPolarHBondContact O-CA 3.41Å; S375-N378 PolarHBondContact O-N 3.32Å; N378-Q380 PolarHBondContact O-N 2.9Å; N378-Q380 PolarHBondContact OD1-NE2 3.16Å |
| 379 | I | 96.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 63.3 Ų | 63.3 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | trans | -75.5 | 119.5 | 172.8 | -66.3 | 164.3 | 0 | 0 | 0 | 106.7 | M319 I321 F363 L368 L374 Y377 L385 | M319-I379 WeakPolarHBondContact CE-O 3.31Å; I321-I379 HydrophobicContact CG2-CG2 3.99Å; F363-I379 HydrophobicContact CB-CD1 4.25Å; F363-I379 HydrophobicContact CB-CG1 4.47Å; F363-I379 HydrophobicContact CD1-CD1 4.09Å; F363-I379 HydrophobicContact CD1-CG1 3.45Å; F363-I379 VanDerWaalsContact CD1-CG1 3.45Å; F363-I379 HydrophobicContact CD2-CG1 4.24Å; F363-I379 HydrophobicContact CE1-CB 4.49Å; F363-I379 HydrophobicContact CE1-CG1 3.57Å; F363-I379 HydrophobicContact CE2-CG1 4.36Å; F363-I379 HydrophobicContact CG-CD1 4.11Å; F363-I379 HydrophobicContact CG-CG1 3.8Å; F363-I379 HydrophobicContact CZ-CG1 4.04Å; L368-I379 HydrophobicContact CD1-CD1 3.84Å; L368-I379 HydrophobicContact CD2-CD1 4.47Å; L374-I379 HydrophobicContact CB-CB 4.25Å; L374-I379 HydrophobicContact CD2-CB 4.15Å; L374-I379 HydrophobicContact CD2-CD1 3.59Å; L374-I379 HydrophobicContact CD2-CG1 4.47Å; L374-I379 HydrophobicContact CD2-CG2 4.06Å; L374-I379 WeakPolarHBondContact O-CB 2.9Å; L374-I379 PolarHBondContact O-N 3.45Å; Y377-I379 PolarHBondContact O-N 2.94Å; I379-L385 HydrophobicContact CD1-CD1 4.17Å; I379-L385 HydrophobicContact CD1-CD2 4.4Å; I379-L385 HydrophobicContact CG1-CD1 4.49Å; I379-L385 HydrophobicContact CG2-CD1 3.91Å | ||
| 380 | Q | 93.7 | Very high | 93.8 | Very high | 120 Ų | 120 | 62.8 Ų | 62.8 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | trans | -105 | 171.5 | -177.3 | -60.8 | -166.9 | -8.5 | 0 | 0 | 111.5 | N378 E382 S383 | N378-Q380 PolarHBondContact O-N 2.9Å; N378-Q380 PolarHBondContact OD1-NE2 3.16Å; Q380-E382 PolarHBondContact O-N 3.49Å; Q380-S383 PolarHBondContact N-OG 2.86Å; Q380-S383 WeakPolarHBondContact O-CB 3.36Å; Q380-S383 PolarHBondContact O-N 3.12Å; Q380-S383 PolarHBondContact O-OG 2.88Å | ||
| 381 | K | 93 | Very high | 92.5 | Very high | 121 Ų | 121 | 67.2 Ų | 67.2 | 53% | 0.526 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 138.2 | 170.9 | -179 | 170.3 | 177.5 | 170.8 | 0 | 110.7 | M319 S383 | M319-K381 HydrophobicContact CG-CB 4.1Å; K381-S383 PolarHBondContact O-N 3.19Å |
| 382 | E | 93.6 | Very high | 91 | Very high | 128 Ų | 128 | 74.3 Ų | 74.3 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 9.2 | -177.4 | -65.6 | 167.7 | -164.8 | 0 | 0 | 115.6 | Q320 F322 Q380 | Q320-E382 PolarHBondContact O-N 2.96Å; F322-E382 WeakPolarHBondContact CD2-O 3.4Å; F322-E382 HydrophobicContact CE2-CB 3.89Å; F322-E382 HydrophobicContact CE2-CG 3.94Å; Q380-E382 PolarHBondContact O-N 3.49Å |
| 383 | S | 97.2 | Very high | 89.3 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 15% | 0.147 | 36% | 0.362 | C | S | . | . | trans | -61.2 | 145.3 | 171.6 | -67.3 | 0 | 0 | 0 | 0 | 111.8 | F322 Q380 K381 | F322-S383 PolarHBondContact N-O 2.91Å; Q380-S383 PolarHBondContact N-OG 2.86Å; Q380-S383 WeakPolarHBondContact O-CB 3.36Å; Q380-S383 PolarHBondContact O-N 3.12Å; Q380-S383 PolarHBondContact O-OG 2.88Å; K381-S383 PolarHBondContact O-N 3.19Å | ||
| 384 | T | 97.3 | Very high | 87.9 | Confident | 61 Ų | 61 | 70.3 Ų | 70.3 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 115.5 | 176 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | F322 K324 | F322-T384 HydrophobicContact CB-CG2 4.46Å; F322-T384 CarbonylContact O-C 3.59Å; F322-T384 VanDerWaalsContact O-CA 3.3Å; F322-T384 WeakPolarHBondContact O-CA 3.45Å; K324-T384 HydrophobicContact CB-CG2 4.03Å |
| 385 | L | 97.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 152.8 | 168 | -79.2 | 63 | 0 | 0 | 0 | 109.2 | I321 F322 V323 K324 L361 I362 F363 L368 I379 | I321-L385 HydrophobicContact CD1-CD1 4.3Å; I321-L385 HydrophobicContact CD1-CD2 4.28Å; F322-L385 PolarHBondContact O-N 2.94Å; V323-L385 CarbonylContact C-O 3.5Å; V323-L385 WeakPolarHBondContact CA-O 3.24Å; V323-L385 HydrophobicContact CG2-CB 4.33Å; K324-L385 PolarHBondContact N-O 2.9Å; L361-L385 HydrophobicContact CB-CD2 4.43Å; L361-L385 HydrophobicContact CD1-CD2 4.34Å; I362-L385 CarbonylContact O-C 3.58Å; I362-L385 WeakPolarHBondContact O-CA 3.12Å; F363-L385 HydrophobicContact CB-CG 4.23Å; F363-L385 HydrophobicContact CD2-CD1 3.85Å; F363-L385 HydrophobicContact CD2-CG 4.35Å; F363-L385 HydrophobicContact CE2-CD1 4.49Å; F363-L385 HydrophobicContact CG-CD1 4.41Å; L368-L385 HydrophobicContact CD1-CD2 3.57Å; L368-L385 HydrophobicContact CD1-CG 4.13Å; I379-L385 HydrophobicContact CD1-CD1 4.17Å; I379-L385 HydrophobicContact CD1-CD2 4.4Å; I379-L385 HydrophobicContact CG1-CD1 4.49Å; I379-L385 HydrophobicContact CG2-CD1 3.91Å |
| 386 | H | 97.6 | Very high | 87 | Confident | 92 Ų | 92 | 70.8 Ų | 70.8 | 43% | 0.426 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.9 | 172.5 | -67.7 | 73.5 | 0 | 0 | 0 | 109.7 | K324 L361 I362 | K324-H386 CarbonylContact O-C 3.59Å; K324-H386 WeakPolarHBondContact O-CA 3.44Å; L361-H386 WeakPolarHBondContact CA-O 3.3Å; I362-H386 HydrophobicContact CB-CB 4.33Å; I362-H386 PolarHBondContact N-O 3.03Å; I362-H386 PolarHBondContact O-N 2.85Å |
| 387 | L | 95.3 | Very high | 86.9 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 117.4 | 173.3 | 176.2 | 62.2 | 0 | 0 | 0 | 109.9 | V323 K324 T325 I348 I354 Q359 L361 L389 | V323-L387 HydrophobicContact CG1-CB 3.53Å; V323-L387 HydrophobicContact CG1-CD2 4.43Å; K324-L387 PolarHBondContact O-N 3.5Å; T325-L387 HydrophobicContact CG2-CD2 4.34Å; I348-L387 HydrophobicContact CG2-CD2 4.07Å; I354-L387 HydrophobicContact CD1-CD2 4.12Å; Q359-L387 HydrophobicContact CB-CD1 3.71Å; Q359-L387 HydrophobicContact CG-CD1 3.93Å; L361-L387 HydrophobicContact CD2-CB 4.23Å; L361-L387 HydrophobicContact CD2-CD1 3.97Å; L387-L389 HydrophobicContact CD1-CD2 4.18Å; L387-L389 HydrophobicContact CD2-CD2 4.08Å; L387-L389 HydrophobicContact CG-CD2 4.02Å |
| 388 | V | 91.8 | Very high | 86.9 | Confident | 41 Ų | 41 | 67.2 Ų | 67.2 | 25% | 0.248 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.8 | 171 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | L326 R360 I362 | L326-V388 HydrophobicContact CD1-CG1 4.18Å; L326-V388 HydrophobicContact CD1-CG2 4.38Å; L326-V388 HydrophobicContact CD2-CG2 4.25Å; L326-V388 HydrophobicContact CG-CG2 4.38Å; R360-V388 WeakPolarHBondContact CA-O 3.26Å; R360-V388 HydrophobicContact CB-CB 4.12Å; R360-V388 WeakPolarHBondContact CB-O 3.37Å; R360-V388 PolarHBondContact N-O 3.08Å; R360-V388 PolarHBondContact O-N 2.9Å; I362-V388 HydrophobicContact CD1-CG2 3.74Å |
| 389 | L | 87.2 | Confident | 87 | Confident | 82 Ų | 82 | 62 Ų | 62 | 43% | 0.429 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 129.3 | 178.3 | -58.3 | -178.4 | 0 | 0 | 0 | 110.5 | I354 Q358 L387 | I354-L389 HydrophobicContact CD1-CD2 4.05Å; I354-L389 HydrophobicContact CG2-CD2 3.65Å; Q358-L389 CarbonylContact O-C 3.59Å; Q358-L389 WeakPolarHBondContact O-CA 3.41Å; L387-L389 HydrophobicContact CD1-CD2 4.18Å; L387-L389 HydrophobicContact CD2-CD2 4.08Å; L387-L389 HydrophobicContact CG-CD2 4.02Å |
| 390 | R | 78 | Confident | 86.9 | Confident | 81 Ų | 81 | 66 Ų | 66 | 31% | 0.306 | 32% | 0.319 | S | S | . | . | trans | -84.7 | 114.7 | 168.3 | -66.1 | -177.8 | -179.5 | 150.4 | -1.8 | 108.4 | Q358 R360 R392 | Q358-R390 PolarHBondContact O-N 2.88Å; R360-R390 HydrophobicContact CG-CG 4.48Å; R390-R392 VanDerWaalsContact C-N 3.27Å; R390-R392 PolarHBondContact O-N 2.85Å | ||
| 391 | L | 62.3 | Low | 86.8 | Confident | 160 Ų | 160 | 61.5 Ų | 61.5 | 84% | 0.838 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -12.4 | -174.8 | -69.2 | 170.1 | 0 | 0 | 0 | 115.1 | ||
| 392 | R | 57.6 | Low | 86.4 | Confident | 219 Ų | 219 | 62.4 Ų | 62.4 | 83% | 0.826 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.8 | 20.1 | -173.6 | -64 | -170.8 | -173.8 | 169.5 | 2.6 | 115.3 | R390 | R390-R392 VanDerWaalsContact C-N 3.27Å; R390-R392 PolarHBondContact O-N 2.85Å |
| 393 | G | 59.1 | Low | 85.9 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 44% | 0.443 | 32% | 0.319 | S | S | . | . | trans | -81.9 | -27.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 394 | G | 67.9 | Low | 85.3 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -74.5 | 165.2 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | D357 Q396 K457 | D357-G394 WeakPolarHBondContact OD2-CA 3.42Å; G394-Q396 PolarHBondContact O-N 2.87Å; G394-Q396 VanDerWaalsContact O-N 3.17Å; G394-K457 WeakPolarHBondContact O-CE 3.1Å; G394-K457 PolarHBondContact O-NZ 2.72Å |
| 395 | M | 85.6 | Confident | 85 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 13% | 0.133 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 99.8 | 169.1 | 171.8 | 172.5 | 164 | 0 | 0 | 107.8 | I397 V411 P413 L450 I455 K457 | M395-I397 HydrophobicContact CE-CG2 4.15Å; M395-V411 WeakPolarHBondContact CB-O 3.44Å; M395-V411 HydrophobicContact CE-CG2 4.25Å; M395-V411 HydrophobicContact CG-CG2 4.07Å; M395-V411 VanDerWaalsContact O-CG2 3.31Å; M395-V411 WeakPolarHBondContact O-CG2 3.44Å; M395-V411 PolarHBondContact O-N 3.18Å; M395-V411 VanDerWaalsContact O-O 3.05Å; M395-P413 HydrophobicContact SD-CB 4.47Å; M395-P413 HydrophobicContact SD-CG 3.74Å; M395-L450 HydrophobicContact CE-CD1 4.25Å; M395-I455 HydrophobicContact CE-CG2 4.4Å; M395-I455 WeakPolarHBondContact CE-O 3.35Å; M395-K457 HydrophobicContact CG-CB 4.23Å |
| 396 | Q | 87.7 | Confident | 84.7 | Confident | 46 Ų | 46 | 68.9 Ų | 68.9 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 141.5 | 172.2 | -70.7 | 179.8 | 9.9 | 0 | 0 | 109.9 | G394 T408 L409 E410 E458 | G394-Q396 PolarHBondContact O-N 2.87Å; G394-Q396 VanDerWaalsContact O-N 3.17Å; Q396-T408 HydrophobicContact CB-CG2 4.27Å; Q396-T408 HydrophobicContact CG-CG2 4.28Å; Q396-L409 CarbonylContact C-O 3.55Å; Q396-L409 VanDerWaalsContact CA-O 3.25Å; Q396-L409 WeakPolarHBondContact CA-O 3.41Å; Q396-E410 HydrophobicContact CG-CG 4.37Å; Q396-E410 VanDerWaalsContact CG-OE1 3.31Å; Q396-E410 WeakPolarHBondContact CG-OE1 3.47Å; Q396-E410 WeakPolarHBondContact CG-OE2 3.27Å; Q396-E410 PolarHBondContact NE2-OE1 2.99Å; Q396-E458 WeakPolarHBondContact O-CA 3.46Å; Q396-E458 PolarHBondContact O-N 3.47Å |
| 397 | I | 94.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 159.9 | 164.3 | 63.9 | 171.7 | 0 | 0 | 0 | 109.1 | M395 L409 V411 V420 L450 I455 S459 L461 | M395-I397 HydrophobicContact CE-CG2 4.15Å; I397-L409 HydrophobicContact CG1-CB 4.02Å; I397-L409 PolarHBondContact N-O 2.93Å; I397-L409 PolarHBondContact O-N 2.79Å; I397-V411 HydrophobicContact CB-CG2 4.31Å; I397-V411 HydrophobicContact CD1-CG1 3.89Å; I397-V411 HydrophobicContact CD1-CG2 3.98Å; I397-V411 HydrophobicContact CG1-CG1 3.97Å; I397-V411 HydrophobicContact CG1-CG2 3.78Å; I397-V411 HydrophobicContact CG2-CG2 3.74Å; I397-V420 HydrophobicContact CD1-CG1 4.22Å; I397-L450 HydrophobicContact CD1-CD1 4.2Å; I397-L450 HydrophobicContact CD1-CD2 4.32Å; I397-I455 HydrophobicContact CG2-CG2 3.89Å; I397-S459 WeakPolarHBondContact CA-O 3.34Å; I397-L461 HydrophobicContact CB-CD1 4.43Å; I397-L461 HydrophobicContact CD1-CD1 4.04Å; I397-L461 HydrophobicContact CD1-CD2 4.28Å |
| 398 | F | 96 | Very high | 84.2 | Confident | 50 Ų | 50 | 67.1 Ų | 67.1 | 22% | 0.219 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 138.4 | 177.9 | -56.2 | -71.7 | 0 | 0 | 0 | 109.9 | T406 I407 T408 E458 S459 T460 L461 | F398-T406 HydrophobicContact CB-CG2 3.89Å; F398-T406 HydrophobicContact CD1-CG2 4.08Å; F398-T406 HydrophobicContact CG-CG2 4.31Å; F398-I407 CarbonylContact C-O 3.59Å; F398-I407 WeakPolarHBondContact CA-O 3.46Å; F398-T408 HydrophobicContact CD1-CG2 4.11Å; F398-T408 HydrophobicContact CE1-CG2 3.83Å; F398-E458 WeakPolarHBondContact CD2-O 3.38Å; F398-E458 HydrophobicContact CE2-CB 3.86Å; F398-E458 HydrophobicContact CE2-CG 3.97Å; F398-E458 HydrophobicContact CZ-CG 4.45Å; F398-S459 PolarHBondContact N-O 3.05Å; F398-T460 HydrophobicContact CB-CG2 4.38Å; F398-T460 CarbonylContact O-C 3.58Å; F398-T460 VanDerWaalsContact O-CA 3.3Å; F398-T460 WeakPolarHBondContact O-CA 3.42Å; F398-L461 PolarHBondContact O-N 2.91Å |
| 399 | V | 97.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 112.1 | 174.1 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | I407 L409 I424 L437 L461 L463 | V399-I407 HydrophobicContact CB-CB 4.31Å; V399-I407 PolarHBondContact N-O 2.83Å; V399-I407 PolarHBondContact O-N 3.22Å; V399-L409 HydrophobicContact CG2-CD1 3.59Å; V399-L409 HydrophobicContact CG2-CG 4.24Å; V399-I424 HydrophobicContact CG1-CD1 4.15Å; V399-I424 HydrophobicContact CG2-CD1 4.18Å; V399-L437 HydrophobicContact CG1-CD2 3.92Å; V399-L461 CarbonylContact C-O 3.57Å; V399-L461 WeakPolarHBondContact CA-O 3.37Å; V399-L461 HydrophobicContact CG2-CB 4.37Å; V399-L463 HydrophobicContact CG1-CB 3.51Å; V399-L463 HydrophobicContact CG1-CD2 4.37Å |
| 400 | K | 95.7 | Very high | 84 | Confident | 89 Ų | 89 | 63.2 Ų | 63.2 | 39% | 0.387 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.7 | 176.6 | -82.4 | -173 | 178.5 | -179.5 | 0 | 110.9 | K405 T406 T460 L461 H462 L463 | K400-K405 WeakPolarHBondContact CA-O 3.32Å; K400-T406 WeakPolarHBondContact CE-OG1 3.44Å; K400-T406 HydrophobicContact CG-CG2 4.13Å; K400-T406 WeakPolarHBondContact CG-OG1 3.45Å; K400-T460 HydrophobicContact CB-CG2 4.28Å; K400-T460 HydrophobicContact CD-CG2 3.95Å; K400-T460 HydrophobicContact CG-CG2 3.93Å; K400-L461 PolarHBondContact N-O 2.92Å; K400-H462 CarbonylContact O-C 3.47Å; K400-H462 WeakPolarHBondContact O-CA 3.44Å; K400-L463 PolarHBondContact O-N 3.07Å |
| 401 | T | 91.2 | Very high | 84.6 | Confident | 26 Ų | 26 | 59.5 Ų | 59.5 | 16% | 0.16 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 163.5 | 170.7 | 68.3 | 0 | 0 | 0 | 0 | 110.6 | T403 G404 K405 I407 L463 | T401-T403 PolarHBondContact O-N 3.46Å; T401-T403 PolarHBondContact OG1-N 2.99Å; T401-T403 PolarHBondContact OG1-OG1 3.04Å; T401-G404 PolarHBondContact O-N 3.05Å; T401-K405 HydrophobicContact CG2-CB 4.34Å; T401-K405 PolarHBondContact N-O 2.83Å; T401-K405 WeakPolarHBondContact OG1-CB 3.26Å; T401-K405 PolarHBondContact OG1-N 3.3Å; T401-K405 PolarHBondContact OG1-O 3.32Å; T401-I407 HydrophobicContact CG2-CD1 4.06Å; T401-L463 HydrophobicContact CG2-CD2 4.37Å |
| 402 | L | 83.5 | Confident | 85.7 | Confident | 141 Ų | 141 | 54.8 Ų | 54.8 | 74% | 0.738 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.6 | 170.9 | -66.8 | 175.9 | 0 | 0 | 0 | 113.5 | G404 V464 | L402-G404 PolarHBondContact O-N 2.83Å; L402-V464 HydrophobicContact CD1-CG1 4.22Å; L402-V464 HydrophobicContact CD1-CG2 4.29Å; L402-V464 HydrophobicContact CD2-CG2 4.36Å; L402-V464 HydrophobicContact CG-CG2 4.36Å |
| 403 | T | 84.2 | Confident | 87.3 | Confident | 128 Ų | 128 | 47.6 Ų | 47.6 | 79% | 0.785 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -3.7 | 174.9 | 60.7 | 0 | 0 | 0 | 0 | 113 | T401 K405 | T401-T403 PolarHBondContact O-N 3.46Å; T401-T403 PolarHBondContact OG1-N 2.99Å; T401-T403 PolarHBondContact OG1-OG1 3.04Å; T403-K405 VanDerWaalsContact C-N 3.33Å |
| 404 | G | 83.4 | Confident | 88.8 | Confident | 53 Ų | 53 | 49 Ų | 49 | 55% | 0.546 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 86.6 | -3.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T401 L402 T406 | T401-G404 PolarHBondContact O-N 3.05Å; L402-G404 PolarHBondContact O-N 2.83Å; G404-T406 PolarHBondContact O-N 3.33Å |
| 405 | K | 90.6 | Very high | 90 | Very high | 101 Ų | 101 | 49.7 Ų | 49.7 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | trans | -64.8 | 132.5 | 173.9 | -174.8 | 179.3 | 174.9 | -174.6 | 0 | 109.2 | K400 T401 T403 E428 | K400-K405 WeakPolarHBondContact CA-O 3.32Å; T401-K405 HydrophobicContact CG2-CB 4.34Å; T401-K405 PolarHBondContact N-O 2.83Å; T401-K405 WeakPolarHBondContact OG1-CB 3.26Å; T401-K405 PolarHBondContact OG1-N 3.3Å; T401-K405 PolarHBondContact OG1-O 3.32Å; T403-K405 VanDerWaalsContact C-N 3.33Å; K405-E428 WeakPolarHBondContact CE-OE1 3.49Å; K405-E428 IonicContact NZ-OE1 2.68Å; K405-E428 PolarHBondContact NZ-OE1 3.43Å; K405-E428 IonicContact NZ-OE2 3.47Å; K405-E428 PolarHBondContact NZ-OE2 3.35Å | ||
| 406 | T | 91.7 | Very high | 90.5 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 39% | 0.387 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 123.7 | 175.4 | -54.6 | 0 | 0 | 0 | 0 | 109.1 | F398 K400 G404 | F398-T406 HydrophobicContact CB-CG2 3.89Å; F398-T406 HydrophobicContact CD1-CG2 4.08Å; F398-T406 HydrophobicContact CG-CG2 4.31Å; K400-T406 WeakPolarHBondContact CE-OG1 3.44Å; K400-T406 HydrophobicContact CG-CG2 4.13Å; K400-T406 WeakPolarHBondContact CG-OG1 3.45Å; G404-T406 PolarHBondContact O-N 3.33Å |
| 407 | I | 90.9 | Very high | 91 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 125.3 | 177.5 | -54.9 | 151.5 | 0 | 0 | 0 | 107.3 | F398 V399 T401 L409 K427 E428 | F398-I407 CarbonylContact C-O 3.59Å; F398-I407 WeakPolarHBondContact CA-O 3.46Å; V399-I407 HydrophobicContact CB-CB 4.31Å; V399-I407 PolarHBondContact N-O 2.83Å; V399-I407 PolarHBondContact O-N 3.22Å; T401-I407 HydrophobicContact CG2-CD1 4.06Å; I407-L409 HydrophobicContact CG2-CD2 4.04Å; I407-L409 HydrophobicContact CG2-CG 4.42Å; I407-K427 HydrophobicContact CG2-CD 4.23Å; I407-E428 HydrophobicContact CD1-CG 3.66Å; I407-E428 HydrophobicContact CG1-CG 4.04Å; I407-E428 HydrophobicContact CG2-CG 4.43Å |
| 408 | T | 91.5 | Very high | 91.1 | Very high | 53 Ų | 53 | 53.2 Ų | 53.2 | 33% | 0.325 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 127.1 | 174.7 | -51.4 | 0 | 0 | 0 | 0 | 109.6 | Q396 F398 K427 | Q396-T408 HydrophobicContact CB-CG2 4.27Å; Q396-T408 HydrophobicContact CG-CG2 4.28Å; F398-T408 HydrophobicContact CD1-CG2 4.11Å; F398-T408 HydrophobicContact CE1-CG2 3.83Å; T408-K427 PolarHBondContact O-NZ 3.15Å |
| 409 | L | 89.8 | Confident | 91 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.6 | 176.4 | -60.6 | 177.7 | 0 | 0 | 0 | 110.4 | Q396 I397 V399 I407 V411 V420 K423 I424 K427 | Q396-L409 CarbonylContact C-O 3.55Å; Q396-L409 VanDerWaalsContact CA-O 3.25Å; Q396-L409 WeakPolarHBondContact CA-O 3.41Å; I397-L409 HydrophobicContact CG1-CB 4.02Å; I397-L409 PolarHBondContact N-O 2.93Å; I397-L409 PolarHBondContact O-N 2.79Å; V399-L409 HydrophobicContact CG2-CD1 3.59Å; V399-L409 HydrophobicContact CG2-CG 4.24Å; I407-L409 HydrophobicContact CG2-CD2 4.04Å; I407-L409 HydrophobicContact CG2-CG 4.42Å; L409-V411 HydrophobicContact CB-CG1 4.05Å; L409-V420 HydrophobicContact CD1-CG1 3.73Å; L409-K423 HydrophobicContact CD2-CB 4.24Å; L409-I424 HydrophobicContact CD1-CD1 4.12Å; L409-I424 HydrophobicContact CD1-CG1 3.59Å; L409-I424 HydrophobicContact CD2-CG1 4.42Å; L409-K427 HydrophobicContact CD2-CD 3.91Å |
| 410 | E | 85.9 | Confident | 90.9 | Very high | 40 Ų | 40 | 54.2 Ų | 54.2 | 19% | 0.187 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.3 | 168 | -64.1 | -77.9 | -175.3 | 0 | 0 | 107.6 | Q358 Q396 K423 | Q358-E410 PolarHBondContact NE2-OE1 3.26Å; Q396-E410 HydrophobicContact CG-CG 4.37Å; Q396-E410 VanDerWaalsContact CG-OE1 3.31Å; Q396-E410 WeakPolarHBondContact CG-OE1 3.47Å; Q396-E410 WeakPolarHBondContact CG-OE2 3.27Å; Q396-E410 PolarHBondContact NE2-OE1 2.99Å; E410-K423 PolarHBondContact O-NZ 3.28Å |
| 411 | V | 89.3 | Confident | 90.9 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 161.3 | -170.8 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | M395 I397 L409 D415 V420 K423 L450 | M395-V411 WeakPolarHBondContact CB-O 3.44Å; M395-V411 HydrophobicContact CE-CG2 4.25Å; M395-V411 HydrophobicContact CG-CG2 4.07Å; M395-V411 VanDerWaalsContact O-CG2 3.31Å; M395-V411 WeakPolarHBondContact O-CG2 3.44Å; M395-V411 PolarHBondContact O-N 3.18Å; M395-V411 VanDerWaalsContact O-O 3.05Å; I397-V411 HydrophobicContact CB-CG2 4.31Å; I397-V411 HydrophobicContact CD1-CG1 3.89Å; I397-V411 HydrophobicContact CD1-CG2 3.98Å; I397-V411 HydrophobicContact CG1-CG1 3.97Å; I397-V411 HydrophobicContact CG1-CG2 3.78Å; I397-V411 HydrophobicContact CG2-CG2 3.74Å; L409-V411 HydrophobicContact CB-CG1 4.05Å; V411-D415 WeakPolarHBondContact CA-OD2 3.41Å; V411-V420 HydrophobicContact CG1-CG2 4.18Å; V411-K423 HydrophobicContact CG1-CD 4.12Å; V411-L450 HydrophobicContact CB-CD1 3.57Å; V411-L450 HydrophobicContact CG1-CD1 4.13Å; V411-L450 HydrophobicContact CG2-CD1 3.38Å |
| 412 | E | 87.1 | Confident | 90.9 | Very high | 60 Ų | 60 | 52 Ų | 52 | 28% | 0.28 | 30% | 0.299 | S | S | . | . | trans | -107 | 151.6 | 169.1 | -64.8 | -173.5 | 177 | 0 | 0 | 110.8 | S414 D415 | E412-S414 PolarHBondContact O-N 2.93Å; E412-S414 VanDerWaalsContact O-N 3.09Å; E412-D415 PolarHBondContact N-OD2 3.41Å; E412-D415 VanDerWaalsContact O-CB 3.32Å; E412-D415 WeakPolarHBondContact O-CB 3.44Å; E412-D415 PolarHBondContact O-N 3.17Å | ||
| 413 | P | 90.9 | Very high | 91.4 | Very high | 68 Ų | 68 | 47.7 Ų | 47.7 | 44% | 0.442 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.1 | 176.3 | -23.2 | 31.5 | 0 | 0 | 0 | 113.9 | M395 S451 | M395-P413 HydrophobicContact SD-CB 4.47Å; M395-P413 HydrophobicContact SD-CG 3.74Å; P413-S451 WeakPolarHBondContact O-CB 3.32Å; P413-S451 PolarHBondContact O-N 3.12Å; P413-S451 PolarHBondContact O-OG 3.41Å; P413-S451 VanDerWaalsContact O-OG 3.1Å |
| 414 | S | 91.1 | Very high | 91.8 | Very high | 72 Ų | 72 | 41.6 Ų | 41.6 | 50% | 0.503 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -14.1 | 176.7 | 41.9 | 0 | 0 | 0 | 0 | 113.8 | E412 T416 T449 | E412-S414 PolarHBondContact O-N 2.93Å; E412-S414 VanDerWaalsContact O-N 3.09Å; S414-T416 PolarHBondContact O-N 2.8Å; S414-T449 WeakPolarHBondContact O-CG2 3.42Å |
| 415 | D | 92 | Very high | 92.2 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | trans | -59.1 | 131 | 179.2 | -86.5 | -33.4 | 0 | 0 | 0 | 110.1 | V411 E412 N419 V420 K423 T449 L450 | V411-D415 WeakPolarHBondContact CA-OD2 3.41Å; E412-D415 PolarHBondContact N-OD2 3.41Å; E412-D415 VanDerWaalsContact O-CB 3.32Å; E412-D415 WeakPolarHBondContact O-CB 3.44Å; E412-D415 PolarHBondContact O-N 3.17Å; D415-N419 HydrophobicContact CB-CB 4.3Å; D415-N419 PolarHBondContact OD1-ND2 3.16Å; D415-V420 HydrophobicContact CB-CG2 4.33Å; D415-K423 VanDerWaalsContact OD2-CE 3.25Å; D415-K423 WeakPolarHBondContact OD2-CE 3.43Å; D415-K423 IonicContact OD2-NZ 3.32Å; D415-K423 PolarHBondContact OD2-NZ 2.9Å; D415-T449 CarbonylContact O-C 3.59Å; D415-T449 WeakPolarHBondContact O-CA 3.21Å; D415-L450 HydrophobicContact CB-CD1 4.34Å; D415-L450 PolarHBondContact O-N 3.38Å | ||
| 416 | T | 97 | Very high | 91.9 | Very high | 37 Ų | 37 | 42.4 Ų | 42.4 | 23% | 0.227 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -71.7 | 157.8 | 171.1 | 64.1 | 0 | 0 | 0 | 0 | 110.5 | S414 E418 N419 V420 R448 | S414-T416 PolarHBondContact O-N 2.8Å; T416-E418 PolarHBondContact O-N 3.01Å; T416-N419 WeakPolarHBondContact O-CB 3.42Å; T416-N419 PolarHBondContact O-N 3.31Å; T416-N419 VanDerWaalsContact O-N 3.08Å; T416-N419 PolarHBondContact OG1-N 2.9Å; T416-N419 VanDerWaalsContact OG1-N 3.13Å; T416-N419 PolarHBondContact OG1-OD1 2.89Å; T416-N419 VanDerWaalsContact OG1-OD1 3.09Å; T416-V420 WeakPolarHBondContact O-CG2 3.38Å; T416-V420 PolarHBondContact O-N 2.75Å; T416-R448 CarbonylContact C-O 3.59Å; T416-R448 WeakPolarHBondContact CA-O 3.17Å |
| 417 | I | 97.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.6 | -32.2 | 174.4 | -59.1 | -54.4 | 0 | 0 | 0 | 110.9 | V420 K421 L437 L444 E445 D446 R448 L450 Y453 | I417-V420 PolarHBondContact O-N 3.02Å; I417-K421 WeakPolarHBondContact O-CG 3.27Å; I417-K421 PolarHBondContact O-N 2.72Å; I417-L437 HydrophobicContact CG2-CD1 4.14Å; I417-L444 HydrophobicContact CD1-CB 4.03Å; I417-L444 HydrophobicContact CD1-CD1 3.65Å; I417-L444 HydrophobicContact CD1-CG 4.39Å; I417-L444 HydrophobicContact CG1-CB 3.93Å; I417-L444 HydrophobicContact CG1-CD1 4.48Å; I417-L444 HydrophobicContact CG2-CB 3.86Å; I417-E445 WeakPolarHBondContact CB-O 3.24Å; I417-E445 VanDerWaalsContact CG1-O 3.28Å; I417-E445 WeakPolarHBondContact CG1-O 3.29Å; I417-D446 PolarHBondContact N-O 2.75Å; I417-R448 WeakPolarHBondContact CG1-O 3.39Å; I417-R448 PolarHBondContact N-O 2.62Å; I417-L450 HydrophobicContact CD1-CD2 3.9Å; I417-Y453 HydrophobicContact CD1-CD2 4.32Å; I417-Y453 HydrophobicContact CD1-CE2 4.46Å; I417-Y453 HydrophobicContact CG1-CD2 4.47Å; I417-Y453 HydrophobicContact CG1-CE2 4.14Å |
| 418 | E | 96.2 | Very high | 91.6 | Very high | 110 Ų | 110 | 48.1 Ų | 48.1 | 51% | 0.514 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 170.1 | -168.4 | 168 | -169.1 | 0 | 0 | 112.1 | T416 V420 K421 T422 D446 | T416-E418 PolarHBondContact O-N 3.01Å; E418-V420 VanDerWaalsContact C-N 3.29Å; E418-V420 PolarHBondContact O-N 2.78Å; E418-K421 WeakPolarHBondContact O-CB 3.4Å; E418-K421 PolarHBondContact O-N 2.83Å; E418-T422 PolarHBondContact O-N 3.24Å; E418-T422 PolarHBondContact O-OG1 2.73Å; E418-D446 HydrophobicContact CB-CB 4.28Å; E418-D446 PolarHBondContact N-O 3.32Å; E418-D446 VanDerWaalsContact N-O 3.09Å |
| 419 | N | 93.4 | Very high | 91.3 | Very high | 71 Ų | 71 | 48.5 Ų | 48.5 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.5 | -42.7 | 174.9 | -66.2 | -2 | 0 | 0 | 0 | 111.6 | D415 T416 K421 T422 K423 | D415-N419 HydrophobicContact CB-CB 4.3Å; D415-N419 PolarHBondContact OD1-ND2 3.16Å; T416-N419 WeakPolarHBondContact O-CB 3.42Å; T416-N419 PolarHBondContact O-N 3.31Å; T416-N419 VanDerWaalsContact O-N 3.08Å; T416-N419 PolarHBondContact OG1-N 2.9Å; T416-N419 VanDerWaalsContact OG1-N 3.13Å; T416-N419 PolarHBondContact OG1-OD1 2.89Å; T416-N419 VanDerWaalsContact OG1-OD1 3.09Å; N419-K421 VanDerWaalsContact C-N 3.31Å; N419-K421 PolarHBondContact O-N 3.11Å; N419-T422 PolarHBondContact O-N 3.22Å; N419-K423 WeakPolarHBondContact O-CG 3.49Å; N419-K423 PolarHBondContact O-N 3.41Å |
| 420 | V | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 177.9 | 179.6 | 0 | 0 | 0 | 0 | 111 | I397 L409 V411 D415 T416 I417 E418 K423 I424 L437 L450 | I397-V420 HydrophobicContact CD1-CG1 4.22Å; L409-V420 HydrophobicContact CD1-CG1 3.73Å; V411-V420 HydrophobicContact CG1-CG2 4.18Å; D415-V420 HydrophobicContact CB-CG2 4.33Å; T416-V420 WeakPolarHBondContact O-CG2 3.38Å; T416-V420 PolarHBondContact O-N 2.75Å; I417-V420 PolarHBondContact O-N 3.02Å; E418-V420 VanDerWaalsContact C-N 3.29Å; E418-V420 PolarHBondContact O-N 2.78Å; V420-K423 PolarHBondContact O-N 3.15Å; V420-I424 HydrophobicContact CG1-CD1 4.31Å; V420-I424 WeakPolarHBondContact O-CG1 3.17Å; V420-I424 PolarHBondContact O-N 3.17Å; V420-L437 HydrophobicContact CB-CD1 4.31Å; V420-L437 HydrophobicContact CG1-CD1 3.84Å; V420-L450 HydrophobicContact CG2-CD1 4.13Å; V420-L450 HydrophobicContact CG2-CD2 4.04Å; V420-L450 HydrophobicContact CG2-CG 4.18Å |
| 421 | K | 95.5 | Very high | 91.2 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.5 | -71.3 | 171.4 | 163.1 | -166.7 | 0 | 112.3 | I417 E418 N419 K423 I424 Q425 P432 Q435 L437 D446 | I417-K421 WeakPolarHBondContact O-CG 3.27Å; I417-K421 PolarHBondContact O-N 2.72Å; E418-K421 WeakPolarHBondContact O-CB 3.4Å; E418-K421 PolarHBondContact O-N 2.83Å; N419-K421 VanDerWaalsContact C-N 3.31Å; N419-K421 PolarHBondContact O-N 3.11Å; K421-K423 VanDerWaalsContact C-N 3.35Å; K421-I424 WeakPolarHBondContact O-CB 3.23Å; K421-I424 PolarHBondContact O-N 3.16Å; K421-I424 VanDerWaalsContact O-N 3.14Å; K421-Q425 PolarHBondContact O-N 2.77Å; K421-P432 HydrophobicContact CB-CB 3.78Å; K421-P432 HydrophobicContact CB-CG 4.32Å; K421-P432 HydrophobicContact CD-CB 4.23Å; K421-P432 WeakPolarHBondContact CD-O 3.13Å; K421-P432 PolarHBondContact NZ-O 2.85Å; K421-Q435 HydrophobicContact CD-CB 4.33Å; K421-Q435 WeakPolarHBondContact CE-O 3.46Å; K421-Q435 HydrophobicContact CG-CB 4.05Å; K421-Q435 PolarHBondContact NZ-O 2.92Å; K421-Q435 VanDerWaalsContact NZ-O 3.13Å; K421-Q435 PolarHBondContact O-NE2 2.81Å; K421-Q435 PolarHBondContact O-OE1 3.08Å; K421-L437 HydrophobicContact CG-CD1 4Å; K421-D446 WeakPolarHBondContact CE-OD1 3.19Å; K421-D446 VanDerWaalsContact NZ-CG 3.31Å; K421-D446 IonicContact NZ-OD1 3.87Å; K421-D446 PolarHBondContact NZ-OD1 3.02Å; K421-D446 IonicContact NZ-OD2 3.16Å; K421-D446 PolarHBondContact NZ-OD2 2.89Å; K421-D446 VanDerWaalsContact NZ-OD2 3.15Å |
| 422 | T | 92.4 | Very high | 91.2 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 34% | 0.337 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 172.7 | -53.4 | 0 | 0 | 0 | 0 | 110.9 | E418 N419 I424 Q425 D426 | E418-T422 PolarHBondContact O-N 3.24Å; E418-T422 PolarHBondContact O-OG1 2.73Å; N419-T422 PolarHBondContact O-N 3.22Å; T422-I424 PolarHBondContact O-N 3.35Å; T422-Q425 CarbonylContact O-C 3.54Å; T422-Q425 WeakPolarHBondContact O-CA 3.4Å; T422-Q425 VanDerWaalsContact O-CB 3.3Å; T422-Q425 WeakPolarHBondContact O-CB 3.33Å; T422-Q425 PolarHBondContact O-N 2.92Å; T422-D426 VanDerWaalsContact O-CG 3.3Å; T422-D426 PolarHBondContact O-N 2.7Å |
| 423 | K | 92.3 | Very high | 91.2 | Very high | 51 Ų | 51 | 49 Ų | 49 | 22% | 0.222 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -31.4 | 174.8 | -68.9 | 170.3 | -173.2 | -104.1 | 0 | 113 | L409 E410 V411 D415 N419 V420 K421 K427 | L409-K423 HydrophobicContact CD2-CB 4.24Å; E410-K423 PolarHBondContact O-NZ 3.28Å; V411-K423 HydrophobicContact CG1-CD 4.12Å; D415-K423 VanDerWaalsContact OD2-CE 3.25Å; D415-K423 WeakPolarHBondContact OD2-CE 3.43Å; D415-K423 IonicContact OD2-NZ 3.32Å; D415-K423 PolarHBondContact OD2-NZ 2.9Å; N419-K423 WeakPolarHBondContact O-CG 3.49Å; N419-K423 PolarHBondContact O-N 3.41Å; V420-K423 PolarHBondContact O-N 3.15Å; K421-K423 VanDerWaalsContact C-N 3.35Å; K423-K427 PolarHBondContact O-N 3.46Å |
| 424 | I | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.6 | -41.9 | 172.7 | -65.4 | 163.2 | 0 | 0 | 0 | 110.6 | V399 L409 V420 K421 T422 D426 K427 E428 Q435 L437 L463 | V399-I424 HydrophobicContact CG1-CD1 4.15Å; V399-I424 HydrophobicContact CG2-CD1 4.18Å; L409-I424 HydrophobicContact CD1-CD1 4.12Å; L409-I424 HydrophobicContact CD1-CG1 3.59Å; L409-I424 HydrophobicContact CD2-CG1 4.42Å; V420-I424 HydrophobicContact CG1-CD1 4.31Å; V420-I424 WeakPolarHBondContact O-CG1 3.17Å; V420-I424 PolarHBondContact O-N 3.17Å; K421-I424 WeakPolarHBondContact O-CB 3.23Å; K421-I424 PolarHBondContact O-N 3.16Å; K421-I424 VanDerWaalsContact O-N 3.14Å; T422-I424 PolarHBondContact O-N 3.35Å; I424-D426 VanDerWaalsContact C-N 3.31Å; I424-D426 PolarHBondContact O-N 2.91Å; I424-K427 PolarHBondContact O-N 3.1Å; I424-E428 HydrophobicContact CG2-CB 4.44Å; I424-E428 WeakPolarHBondContact O-CB 3.36Å; I424-E428 PolarHBondContact O-N 2.85Å; I424-Q435 VanDerWaalsContact CD1-OE1 3.28Å; I424-L437 HydrophobicContact CD1-CD1 4.06Å; I424-L437 HydrophobicContact CD1-CD2 3.78Å; I424-L437 HydrophobicContact CD1-CG 4.37Å; I424-L463 HydrophobicContact CG2-CD2 4.08Å |
| 425 | Q | 91.2 | Very high | 91.2 | Very high | 48 Ų | 48 | 44.5 Ų | 44.5 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.7 | -46.3 | 174.6 | -176.2 | -179 | 21.7 | 0 | 0 | 110.7 | K421 T422 K427 E428 G429 I430 P432 E488 | K421-Q425 PolarHBondContact O-N 2.77Å; T422-Q425 CarbonylContact O-C 3.54Å; T422-Q425 WeakPolarHBondContact O-CA 3.4Å; T422-Q425 VanDerWaalsContact O-CB 3.3Å; T422-Q425 WeakPolarHBondContact O-CB 3.33Å; T422-Q425 PolarHBondContact O-N 2.92Å; Q425-K427 VanDerWaalsContact C-N 3.27Å; Q425-K427 PolarHBondContact O-N 2.96Å; Q425-E428 PolarHBondContact O-N 2.73Å; Q425-G429 WeakPolarHBondContact O-CA 3.4Å; Q425-G429 PolarHBondContact O-N 3.32Å; Q425-I430 VanDerWaalsContact CA-O 3.3Å; Q425-I430 WeakPolarHBondContact CA-O 3.08Å; Q425-I430 VanDerWaalsContact CB-O 3.24Å; Q425-I430 WeakPolarHBondContact CB-O 3.33Å; Q425-P432 HydrophobicContact CB-CG 4.49Å; Q425-P432 VanDerWaalsContact OE1-CD 3.28Å; Q425-E488 PolarHBondContact NE2-OE2 3.39Å |
| 426 | D | 84.4 | Confident | 91.3 | Very high | 124 Ų | 124 | 47.8 Ų | 47.8 | 66% | 0.663 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.6 | -36.2 | 179.5 | -64.3 | -26.8 | 0 | 0 | 0 | 112.4 | T422 I424 | T422-D426 VanDerWaalsContact O-CG 3.3Å; T422-D426 PolarHBondContact O-N 2.7Å; I424-D426 VanDerWaalsContact C-N 3.31Å; I424-D426 PolarHBondContact O-N 2.91Å |
| 427 | K | 86.3 | Confident | 91.2 | Very high | 124 Ų | 124 | 46 Ų | 46 | 54% | 0.539 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -85.3 | -34.4 | -179.1 | -76.3 | -158.8 | 178.1 | -163.5 | 0 | 114.6 | I407 T408 L409 K423 I424 Q425 | I407-K427 HydrophobicContact CG2-CD 4.23Å; T408-K427 PolarHBondContact O-NZ 3.15Å; L409-K427 HydrophobicContact CD2-CD 3.91Å; K423-K427 PolarHBondContact O-N 3.46Å; I424-K427 PolarHBondContact O-N 3.1Å; Q425-K427 VanDerWaalsContact C-N 3.27Å; Q425-K427 PolarHBondContact O-N 2.96Å |
| 428 | E | 90.3 | Very high | 91.2 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -123.3 | -5.7 | -166.6 | -63.1 | -71.6 | 143 | 0 | 0 | 113.5 | K405 I407 I424 Q425 I430 | K405-E428 WeakPolarHBondContact CE-OE1 3.49Å; K405-E428 IonicContact NZ-OE1 2.68Å; K405-E428 PolarHBondContact NZ-OE1 3.43Å; K405-E428 IonicContact NZ-OE2 3.47Å; K405-E428 PolarHBondContact NZ-OE2 3.35Å; I407-E428 HydrophobicContact CD1-CG 3.66Å; I407-E428 HydrophobicContact CG1-CG 4.04Å; I407-E428 HydrophobicContact CG2-CG 4.43Å; I424-E428 HydrophobicContact CG2-CB 4.44Å; I424-E428 WeakPolarHBondContact O-CB 3.36Å; I424-E428 PolarHBondContact O-N 2.85Å; Q425-E428 PolarHBondContact O-N 2.73Å; E428-I430 VanDerWaalsContact C-N 3.26Å; E428-I430 HydrophobicContact CB-CD1 3.97Å; E428-I430 HydrophobicContact CB-CG1 3.98Å; E428-I430 PolarHBondContact O-N 2.9Å |
| 429 | G | 85.2 | Confident | 91.3 | Very high | 60 Ų | 60 | 44.9 Ų | 44.9 | 62% | 0.619 | 24% | 0.236 | S | C | * | . | trans | 72.1 | 13.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q425 P431 | Q425-G429 WeakPolarHBondContact O-CA 3.4Å; Q425-G429 PolarHBondContact O-N 3.32Å; G429-P431 WeakPolarHBondContact O-CD 3.45Å | ||
| 430 | I | 86.9 | Confident | 91.4 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 14% | 0.138 | 25% | 0.253 | C | S | . | . | trans | -92.8 | 117.7 | -174.8 | -54.6 | 175.9 | 0 | 0 | 0 | 109.5 | Q425 E428 Q434 Q435 L463 L465 | Q425-I430 VanDerWaalsContact CA-O 3.3Å; Q425-I430 WeakPolarHBondContact CA-O 3.08Å; Q425-I430 VanDerWaalsContact CB-O 3.24Å; Q425-I430 WeakPolarHBondContact CB-O 3.33Å; E428-I430 VanDerWaalsContact C-N 3.26Å; E428-I430 HydrophobicContact CB-CD1 3.97Å; E428-I430 HydrophobicContact CB-CG1 3.98Å; E428-I430 PolarHBondContact O-N 2.9Å; I430-Q434 HydrophobicContact CG2-CB 4.4Å; I430-Q435 HydrophobicContact CB-CG 4.45Å; I430-Q435 HydrophobicContact CG2-CG 3.75Å; I430-Q435 PolarHBondContact O-NE2 2.91Å; I430-L463 HydrophobicContact CD1-CD2 4.24Å; I430-L465 HydrophobicContact CD1-CD1 4.39Å; I430-L465 HydrophobicContact CD1-CD2 3.98Å; I430-L465 HydrophobicContact CG2-CD2 3.65Å | ||
| 431 | P | 86.6 | Confident | 91.2 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | trans | -59.4 | 139.8 | 180 | -28.8 | 38.4 | 0 | 0 | 0 | 113.7 | G429 D433 Q434 Q435 | G429-P431 WeakPolarHBondContact O-CD 3.45Å; P431-D433 VanDerWaalsContact C-N 3.27Å; P431-D433 WeakPolarHBondContact CB-OD1 3.48Å; P431-D433 PolarHBondContact O-N 3.1Å; P431-Q434 HydrophobicContact CB-CG 4.39Å; P431-Q434 WeakPolarHBondContact O-CB 3.43Å; P431-Q434 PolarHBondContact O-N 2.88Å; P431-Q435 WeakPolarHBondContact O-CG 3.27Å; P431-Q435 PolarHBondContact O-N 2.82Å | ||
| 432 | P | 90.3 | Very high | 91.2 | Very high | 22 Ų | 22 | 55.6 Ų | 55.6 | 14% | 0.143 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -55.6 | -32.7 | -176.1 | -31.1 | 37.8 | 0 | 0 | 0 | 115.7 | K421 Q425 Q434 Q435 | K421-P432 HydrophobicContact CB-CB 3.78Å; K421-P432 HydrophobicContact CB-CG 4.32Å; K421-P432 HydrophobicContact CD-CB 4.23Å; K421-P432 WeakPolarHBondContact CD-O 3.13Å; K421-P432 PolarHBondContact NZ-O 2.85Å; Q425-P432 HydrophobicContact CB-CG 4.49Å; Q425-P432 VanDerWaalsContact OE1-CD 3.28Å; P432-Q434 VanDerWaalsContact C-N 3.3Å; P432-Q434 PolarHBondContact O-N 3.39Å; P432-Q435 WeakPolarHBondContact O-CB 3.33Å; P432-Q435 PolarHBondContact O-N 3.31Å; P432-Q435 VanDerWaalsContact O-N 3.14Å |
| 433 | D | 86.8 | Confident | 91.3 | Very high | 50 Ų | 50 | 57.9 Ų | 57.9 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -70.8 | -24.9 | 178.6 | 63.1 | -13.1 | 0 | 0 | 0 | 113.3 | P431 Q435 G470 | P431-D433 VanDerWaalsContact C-N 3.27Å; P431-D433 WeakPolarHBondContact CB-OD1 3.48Å; P431-D433 PolarHBondContact O-N 3.1Å; D433-Q435 VanDerWaalsContact C-N 3.32Å; D433-G470 WeakPolarHBondContact OD2-CA 3.5Å; D433-G470 PolarHBondContact OD2-N 3Å |
| 434 | Q | 88.3 | Confident | 91.6 | Very high | 43 Ų | 43 | 55.6 Ų | 55.6 | 20% | 0.201 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -82.6 | -11.9 | 171.9 | -63.2 | -178.3 | 9.9 | 0 | 0 | 112.3 | I430 P431 P432 L465 R466 | I430-Q434 HydrophobicContact CG2-CB 4.4Å; P431-Q434 HydrophobicContact CB-CG 4.39Å; P431-Q434 WeakPolarHBondContact O-CB 3.43Å; P431-Q434 PolarHBondContact O-N 2.88Å; P432-Q434 VanDerWaalsContact C-N 3.3Å; P432-Q434 PolarHBondContact O-N 3.39Å; Q434-L465 CarbonylContact O-C 3.6Å; Q434-L465 WeakPolarHBondContact O-CA 3.33Å; Q434-R466 PolarHBondContact O-N 3.49Å |
| 435 | Q | 92.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 128.7 | -177.9 | -59.6 | 177.5 | 36.1 | 0 | 0 | 111.8 | K421 I424 I430 P431 P432 D433 L463 | K421-Q435 HydrophobicContact CD-CB 4.33Å; K421-Q435 WeakPolarHBondContact CE-O 3.46Å; K421-Q435 HydrophobicContact CG-CB 4.05Å; K421-Q435 PolarHBondContact NZ-O 2.92Å; K421-Q435 VanDerWaalsContact NZ-O 3.13Å; K421-Q435 PolarHBondContact O-NE2 2.81Å; K421-Q435 PolarHBondContact O-OE1 3.08Å; I424-Q435 VanDerWaalsContact CD1-OE1 3.28Å; I430-Q435 HydrophobicContact CB-CG 4.45Å; I430-Q435 HydrophobicContact CG2-CG 3.75Å; I430-Q435 PolarHBondContact O-NE2 2.91Å; P431-Q435 WeakPolarHBondContact O-CG 3.27Å; P431-Q435 PolarHBondContact O-N 2.82Å; P432-Q435 WeakPolarHBondContact O-CB 3.33Å; P432-Q435 PolarHBondContact O-N 3.31Å; P432-Q435 VanDerWaalsContact O-N 3.14Å; D433-Q435 VanDerWaalsContact C-N 3.32Å; Q435-L463 HydrophobicContact CB-CD1 3.71Å; Q435-L463 HydrophobicContact CG-CD1 3.96Å |
| 436 | R | 93.7 | Very high | 91.8 | Very high | 86 Ų | 86 | 61.5 Ų | 61.5 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.4 | 159.4 | -74.2 | -175.3 | 179.9 | -180 | 0 | 109.6 | L463 V464 R466 | R436-L463 WeakPolarHBondContact O-CA 3.44Å; R436-V464 HydrophobicContact CB-CB 4.31Å; R436-V464 WeakPolarHBondContact CB-O 3.5Å; R436-V464 PolarHBondContact N-O 3.32Å; R436-V464 PolarHBondContact O-N 3.43Å; R436-R466 HydrophobicContact CG-CG 3.82Å |
| 437 | L | 96.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 136.9 | 172.2 | -68.3 | 172.8 | 0 | 0 | 0 | 110.3 | V399 I417 V420 K421 I424 L444 L461 H462 L463 | V399-L437 HydrophobicContact CG1-CD2 3.92Å; I417-L437 HydrophobicContact CG2-CD1 4.14Å; V420-L437 HydrophobicContact CB-CD1 4.31Å; V420-L437 HydrophobicContact CG1-CD1 3.84Å; K421-L437 HydrophobicContact CG-CD1 4Å; I424-L437 HydrophobicContact CD1-CD1 4.06Å; I424-L437 HydrophobicContact CD1-CD2 3.78Å; I424-L437 HydrophobicContact CD1-CG 4.37Å; L437-L444 HydrophobicContact CB-CB 4.27Å; L437-L444 HydrophobicContact CB-CD1 3.94Å; L437-L444 HydrophobicContact CB-CG 4.29Å; L437-L444 PolarHBondContact O-N 3.02Å; L437-L461 HydrophobicContact CB-CD2 4.4Å; L437-L461 HydrophobicContact CD1-CD2 4.31Å; L437-L461 HydrophobicContact CD2-CB 4.49Å; L437-L461 HydrophobicContact CD2-CD2 4.4Å; L437-H462 CarbonylContact C-O 3.5Å; L437-H462 WeakPolarHBondContact CA-O 3.33Å; L437-L463 HydrophobicContact CD2-CB 4.25Å; L437-L463 HydrophobicContact CD2-CD1 4.09Å |
| 438 | I | 97.3 | Very high | 92.8 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.3 | -179 | -58.4 | 162.7 | 0 | 0 | 0 | 108.3 | K442 L461 H462 V464 | I438-K442 CarbonylContact C-O 3.58Å; I438-K442 VanDerWaalsContact CA-O 3.27Å; I438-K442 WeakPolarHBondContact CA-O 3.4Å; I438-K442 WeakPolarHBondContact CG2-O 3.26Å; I438-L461 CarbonylContact O-C 3.6Å; I438-L461 WeakPolarHBondContact O-CA 3.49Å; I438-H462 HydrophobicContact CB-CB 4.32Å; I438-H462 PolarHBondContact N-O 3.48Å; I438-H462 PolarHBondContact O-N 3.14Å; I438-V464 HydrophobicContact CD1-CB 4.48Å; I438-V464 HydrophobicContact CD1-CG2 3.68Å |
| 439 | F | 97.7 | Very high | 93.1 | Very high | 38 Ų | 38 | 56.4 Ų | 56.4 | 17% | 0.167 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 135.7 | 174.1 | -176.1 | -111.8 | 0 | 0 | 0 | 109.8 | G441 K442 L444 I455 L461 | F439-G441 PolarHBondContact O-N 2.68Å; F439-G441 VanDerWaalsContact O-N 3.11Å; F439-K442 PolarHBondContact N-O 2.93Å; F439-K442 PolarHBondContact O-N 3.17Å; F439-L444 HydrophobicContact CB-CD1 4.11Å; F439-L444 HydrophobicContact CB-CD2 3.91Å; F439-L444 HydrophobicContact CB-CG 4.3Å; F439-I455 HydrophobicContact CB-CD1 4.23Å; F439-I455 HydrophobicContact CB-CG1 4.46Å; F439-I455 HydrophobicContact CD1-CD1 4.07Å; F439-I455 HydrophobicContact CD1-CG1 3.44Å; F439-I455 VanDerWaalsContact CD1-CG1 3.44Å; F439-I455 HydrophobicContact CD2-CG1 4.24Å; F439-I455 HydrophobicContact CE1-CB 4.47Å; F439-I455 HydrophobicContact CE1-CG1 3.56Å; F439-I455 HydrophobicContact CE2-CG1 4.37Å; F439-I455 HydrophobicContact CG-CD1 4.09Å; F439-I455 HydrophobicContact CG-CG1 3.79Å; F439-I455 HydrophobicContact CZ-CG1 4.04Å; F439-L461 HydrophobicContact CB-CG 4.28Å; F439-L461 HydrophobicContact CD2-CD1 4.11Å; F439-L461 HydrophobicContact CD2-CG 4.29Å |
| 440 | A | 94.5 | Very high | 93.6 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 74% | 0.744 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 40.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K442 | A440-K442 PolarHBondContact O-N 3.3Š|
| 441 | G | 91.8 | Very high | 94 | Very high | 76 Ų | 76 | 55.3 Ų | 55.3 | 78% | 0.784 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | -0.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F439 | F439-G441 PolarHBondContact O-N 2.68Å; F439-G441 VanDerWaalsContact O-N 3.11Å |
| 442 | K | 95.4 | Very high | 94.5 | Very high | 141 Ų | 141 | 59 Ų | 59 | 61% | 0.613 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.3 | 177.1 | -64.9 | -176.6 | 180 | 178.9 | 0 | 110.7 | I438 F439 A440 | I438-K442 CarbonylContact C-O 3.58Å; I438-K442 VanDerWaalsContact CA-O 3.27Å; I438-K442 WeakPolarHBondContact CA-O 3.4Å; I438-K442 WeakPolarHBondContact CG2-O 3.26Å; F439-K442 PolarHBondContact N-O 2.93Å; F439-K442 PolarHBondContact O-N 3.17Å; A440-K442 PolarHBondContact O-N 3.3Å |
| 443 | Q | 95.7 | Very high | 94.9 | Very high | 103 Ų | 103 | 59.7 Ų | 59.7 | 48% | 0.481 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 132.6 | 166.2 | -174.2 | -177.4 | -37.1 | 0 | 0 | 108.7 | ||
| 444 | L | 97.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 140.4 | -179.5 | -55.1 | -173 | 0 | 0 | 0 | 110.8 | I417 L437 F439 Y453 I455 L461 | I417-L444 HydrophobicContact CD1-CB 4.03Å; I417-L444 HydrophobicContact CD1-CD1 3.65Å; I417-L444 HydrophobicContact CD1-CG 4.39Å; I417-L444 HydrophobicContact CG1-CB 3.93Å; I417-L444 HydrophobicContact CG1-CD1 4.48Å; I417-L444 HydrophobicContact CG2-CB 3.86Å; L437-L444 HydrophobicContact CB-CB 4.27Å; L437-L444 HydrophobicContact CB-CD1 3.94Å; L437-L444 HydrophobicContact CB-CG 4.29Å; L437-L444 PolarHBondContact O-N 3.02Å; F439-L444 HydrophobicContact CB-CD1 4.11Å; F439-L444 HydrophobicContact CB-CD2 3.91Å; F439-L444 HydrophobicContact CB-CG 4.3Å; L444-Y453 HydrophobicContact CB-CE2 4.24Å; L444-Y453 HydrophobicContact CD2-CD1 3.65Å; L444-Y453 HydrophobicContact CD2-CD2 3.69Å; L444-Y453 HydrophobicContact CD2-CE1 3.79Å; L444-Y453 HydrophobicContact CD2-CE2 3.8Å; L444-Y453 HydrophobicContact CD2-CG 3.61Å; L444-I455 HydrophobicContact CD1-CD1 3.82Å; L444-L461 HydrophobicContact CD1-CD2 3.6Å; L444-L461 HydrophobicContact CD1-CG 4.27Å |
| 445 | E | 96.4 | Very high | 95.7 | Very high | 104 Ų | 104 | 60.7 Ų | 60.7 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 133.5 | -179.9 | -65.9 | 170.4 | -174.8 | 0 | 0 | 110.8 | I417 G447 R448 Y453 | I417-E445 WeakPolarHBondContact CB-O 3.24Å; I417-E445 VanDerWaalsContact CG1-O 3.28Å; I417-E445 WeakPolarHBondContact CG1-O 3.29Å; E445-G447 VanDerWaalsContact C-N 3.33Å; E445-G447 PolarHBondContact O-N 3.2Å; E445-R448 HydrophobicContact CB-CG 4.28Å; E445-R448 PolarHBondContact O-N 3.34Å; E445-R448 VanDerWaalsContact O-N 3.13Å; E445-R448 IonicContact OE1-NH2 2.78Å; E445-R448 IonicContact OE2-CZ 2.9Å; E445-R448 IonicContact OE2-NE 2.9Å; E445-R448 PolarHBondContact OE2-NE 3.14Å; E445-R448 IonicContact OE2-NH2 2.6Å; E445-R448 PolarHBondContact OE2-NH2 2.74Å; E445-R448 VanDerWaalsContact OE2-NH2 3.16Å; E445-Y453 WeakPolarHBondContact CB-OH 3.4Å; E445-Y453 PolarHBondContact N-OH 2.97Å |
| 446 | D | 93.8 | Very high | 95.7 | Very high | 67 Ų | 67 | 66.1 Ų | 66.1 | 36% | 0.358 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -39.9 | -169.5 | -68.6 | -4.6 | 0 | 0 | 0 | 114.1 | I417 E418 K421 R448 | I417-D446 PolarHBondContact N-O 2.75Å; E418-D446 HydrophobicContact CB-CB 4.28Å; E418-D446 PolarHBondContact N-O 3.32Å; E418-D446 VanDerWaalsContact N-O 3.09Å; K421-D446 WeakPolarHBondContact CE-OD1 3.19Å; K421-D446 VanDerWaalsContact NZ-CG 3.31Å; K421-D446 IonicContact NZ-OD1 3.87Å; K421-D446 PolarHBondContact NZ-OD1 3.02Å; K421-D446 IonicContact NZ-OD2 3.16Å; K421-D446 PolarHBondContact NZ-OD2 2.89Å; K421-D446 VanDerWaalsContact NZ-OD2 3.15Å; D446-R448 VanDerWaalsContact C-N 3.34Å; D446-R448 PolarHBondContact O-N 2.85Å |
| 447 | G | 93.5 | Very high | 95.5 | Very high | 72 Ų | 72 | 66.8 Ų | 66.8 | 74% | 0.742 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -0 | -178 | 0 | 0 | 0 | 0 | 0 | 116.2 | E445 | E445-G447 VanDerWaalsContact C-N 3.33Å; E445-G447 PolarHBondContact O-N 3.2Å |
| 448 | R | 97.2 | Very high | 95.3 | Very high | 108 Ų | 108 | 72.8 Ų | 72.8 | 41% | 0.408 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -96.1 | 160.2 | 176.3 | -67.9 | -155.4 | -159 | -156.7 | -1.3 | 111.4 | T416 I417 E445 D446 D452 Y453 | T416-R448 CarbonylContact C-O 3.59Å; T416-R448 WeakPolarHBondContact CA-O 3.17Å; I417-R448 WeakPolarHBondContact CG1-O 3.39Å; I417-R448 PolarHBondContact N-O 2.62Å; E445-R448 HydrophobicContact CB-CG 4.28Å; E445-R448 PolarHBondContact O-N 3.34Å; E445-R448 VanDerWaalsContact O-N 3.13Å; E445-R448 IonicContact OE1-NH2 2.78Å; E445-R448 IonicContact OE2-CZ 2.9Å; E445-R448 IonicContact OE2-NE 2.9Å; E445-R448 PolarHBondContact OE2-NE 3.14Å; E445-R448 IonicContact OE2-NH2 2.6Å; E445-R448 PolarHBondContact OE2-NH2 2.74Å; E445-R448 VanDerWaalsContact OE2-NH2 3.16Å; D446-R448 VanDerWaalsContact C-N 3.34Å; D446-R448 PolarHBondContact O-N 2.85Å; R448-D452 WeakPolarHBondContact CA-OD2 3.07Å; R448-D452 HydrophobicContact CB-CB 4.19Å; R448-D452 WeakPolarHBondContact CB-OD2 3.29Å; R448-Y453 HydrophobicContact CB-CD2 4.34Å; R448-Y453 HydrophobicContact CB-CE2 3.57Å; R448-Y453 WeakPolarHBondContact CD-OH 3.21Å; R448-Y453 HydrophobicContact CG-CE2 4.27Å |
| 449 | T | 97 | Very high | 95.3 | Very high | 27 Ų | 27 | 71.5 Ų | 71.5 | 17% | 0.166 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -92 | 169.8 | 178.2 | 67.2 | 0 | 0 | 0 | 0 | 112.8 | S414 D415 S451 D452 Y453 | S414-T449 WeakPolarHBondContact O-CG2 3.42Å; D415-T449 CarbonylContact O-C 3.59Å; D415-T449 WeakPolarHBondContact O-CA 3.21Å; T449-S451 VanDerWaalsContact C-N 3.29Å; T449-S451 PolarHBondContact O-N 3.25Å; T449-S451 PolarHBondContact OG1-N 2.99Å; T449-S451 PolarHBondContact OG1-OG 3.22Å; T449-D452 PolarHBondContact N-OD2 3.45Å; T449-D452 PolarHBondContact O-N 2.71Å; T449-D452 VanDerWaalsContact OG1-CG 3.24Å; T449-D452 PolarHBondContact OG1-N 2.96Å; T449-D452 VanDerWaalsContact OG1-N 3.09Å; T449-D452 PolarHBondContact OG1-OD2 3.06Å; T449-Y453 WeakPolarHBondContact O-CD2 3.39Å |
| 450 | L | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -38.6 | 168.1 | -68.1 | -176.9 | 0 | 0 | 0 | 112.2 | M395 I397 V411 D415 I417 V420 Y453 N454 I455 | M395-L450 HydrophobicContact CE-CD1 4.25Å; I397-L450 HydrophobicContact CD1-CD1 4.2Å; I397-L450 HydrophobicContact CD1-CD2 4.32Å; V411-L450 HydrophobicContact CB-CD1 3.57Å; V411-L450 HydrophobicContact CG1-CD1 4.13Å; V411-L450 HydrophobicContact CG2-CD1 3.38Å; D415-L450 HydrophobicContact CB-CD1 4.34Å; D415-L450 PolarHBondContact O-N 3.38Å; I417-L450 HydrophobicContact CD1-CD2 3.9Å; V420-L450 HydrophobicContact CG2-CD1 4.13Å; V420-L450 HydrophobicContact CG2-CD2 4.04Å; V420-L450 HydrophobicContact CG2-CG 4.18Å; L450-Y453 PolarHBondContact O-N 3.28Å; L450-N454 PolarHBondContact O-N 3.31Å; L450-I455 HydrophobicContact CB-CB 4.19Å; L450-I455 HydrophobicContact CD2-CB 4.15Å; L450-I455 HydrophobicContact CD2-CD1 3.57Å; L450-I455 HydrophobicContact CD2-CG1 4.45Å; L450-I455 HydrophobicContact CD2-CG2 4.07Å; L450-I455 WeakPolarHBondContact O-CB 3.42Å; L450-I455 PolarHBondContact O-N 2.92Å |
| 451 | S | 95.6 | Very high | 95.4 | Very high | 64 Ų | 64 | 67.8 Ų | 67.8 | 45% | 0.448 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -65.4 | -35.2 | 177.6 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | P413 T449 Y453 N454 | P413-S451 WeakPolarHBondContact O-CB 3.32Å; P413-S451 PolarHBondContact O-N 3.12Å; P413-S451 PolarHBondContact O-OG 3.41Å; P413-S451 VanDerWaalsContact O-OG 3.1Å; T449-S451 VanDerWaalsContact C-N 3.29Å; T449-S451 PolarHBondContact O-N 3.25Å; T449-S451 PolarHBondContact OG1-N 2.99Å; T449-S451 PolarHBondContact OG1-OG 3.22Å; S451-Y453 PolarHBondContact O-N 3.35Å; S451-N454 PolarHBondContact O-N 3.33Å |
| 452 | D | 97 | Very high | 95.6 | Very high | 94 Ų | 94 | 68.7 Ų | 68.7 | 50% | 0.503 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -58.8 | -32.3 | 176.1 | -71.5 | -28.6 | 0 | 0 | 0 | 112.8 | R448 T449 | R448-D452 WeakPolarHBondContact CA-OD2 3.07Å; R448-D452 HydrophobicContact CB-CB 4.19Å; R448-D452 WeakPolarHBondContact CB-OD2 3.29Å; T449-D452 PolarHBondContact N-OD2 3.45Å; T449-D452 PolarHBondContact O-N 2.71Å; T449-D452 VanDerWaalsContact OG1-CG 3.24Å; T449-D452 PolarHBondContact OG1-N 2.96Å; T449-D452 VanDerWaalsContact OG1-N 3.09Å; T449-D452 PolarHBondContact OG1-OD2 3.06Å |
| 453 | Y | 97.2 | Very high | 95.7 | Very high | 37 Ų | 37 | 62.1 Ų | 62.1 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -94.7 | 3.9 | 176.7 | -68.7 | -73.3 | 0 | 0 | 0 | 113.5 | I417 L444 E445 R448 T449 L450 S451 I455 | I417-Y453 HydrophobicContact CD1-CD2 4.32Å; I417-Y453 HydrophobicContact CD1-CE2 4.46Å; I417-Y453 HydrophobicContact CG1-CD2 4.47Å; I417-Y453 HydrophobicContact CG1-CE2 4.14Å; L444-Y453 HydrophobicContact CB-CE2 4.24Å; L444-Y453 HydrophobicContact CD2-CD1 3.65Å; L444-Y453 HydrophobicContact CD2-CD2 3.69Å; L444-Y453 HydrophobicContact CD2-CE1 3.79Å; L444-Y453 HydrophobicContact CD2-CE2 3.8Å; L444-Y453 HydrophobicContact CD2-CG 3.61Å; E445-Y453 WeakPolarHBondContact CB-OH 3.4Å; E445-Y453 PolarHBondContact N-OH 2.97Å; R448-Y453 HydrophobicContact CB-CD2 4.34Å; R448-Y453 HydrophobicContact CB-CE2 3.57Å; R448-Y453 WeakPolarHBondContact CD-OH 3.21Å; R448-Y453 HydrophobicContact CG-CE2 4.27Å; T449-Y453 WeakPolarHBondContact O-CD2 3.39Å; L450-Y453 PolarHBondContact O-N 3.28Å; S451-Y453 PolarHBondContact O-N 3.35Å; Y453-I455 PolarHBondContact O-N 2.98Å |
| 454 | N | 96.2 | Very high | 95.5 | Very high | 108 Ų | 108 | 59.1 Ų | 59.1 | 58% | 0.578 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 40.4 | -173.2 | -168.6 | 31.5 | 0 | 0 | 0 | 112 | L450 S451 Q456 | L450-N454 PolarHBondContact O-N 3.31Å; S451-N454 PolarHBondContact O-N 3.33Å; N454-Q456 PolarHBondContact O-N 3.1Å; N454-Q456 PolarHBondContact OD1-NE2 3.5Å |
| 455 | I | 96 | Very high | 95.1 | Very high | 6 Ų | 6 | 63.3 Ų | 63.3 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | trans | -76.2 | 121.6 | 171.8 | -66 | 166.7 | 0 | 0 | 0 | 106.7 | M395 I397 F439 L444 L450 Y453 L461 | M395-I455 HydrophobicContact CE-CG2 4.4Å; M395-I455 WeakPolarHBondContact CE-O 3.35Å; I397-I455 HydrophobicContact CG2-CG2 3.89Å; F439-I455 HydrophobicContact CB-CD1 4.23Å; F439-I455 HydrophobicContact CB-CG1 4.46Å; F439-I455 HydrophobicContact CD1-CD1 4.07Å; F439-I455 HydrophobicContact CD1-CG1 3.44Å; F439-I455 VanDerWaalsContact CD1-CG1 3.44Å; F439-I455 HydrophobicContact CD2-CG1 4.24Å; F439-I455 HydrophobicContact CE1-CB 4.47Å; F439-I455 HydrophobicContact CE1-CG1 3.56Å; F439-I455 HydrophobicContact CE2-CG1 4.37Å; F439-I455 HydrophobicContact CG-CD1 4.09Å; F439-I455 HydrophobicContact CG-CG1 3.79Å; F439-I455 HydrophobicContact CZ-CG1 4.04Å; L444-I455 HydrophobicContact CD1-CD1 3.82Å; L450-I455 HydrophobicContact CB-CB 4.19Å; L450-I455 HydrophobicContact CD2-CB 4.15Å; L450-I455 HydrophobicContact CD2-CD1 3.57Å; L450-I455 HydrophobicContact CD2-CG1 4.45Å; L450-I455 HydrophobicContact CD2-CG2 4.07Å; L450-I455 WeakPolarHBondContact O-CB 3.42Å; L450-I455 PolarHBondContact O-N 2.92Å; Y453-I455 PolarHBondContact O-N 2.98Å; I455-L461 HydrophobicContact CD1-CD1 4.29Å; I455-L461 HydrophobicContact CD1-CD2 4.25Å; I455-L461 HydrophobicContact CD1-CG 4.42Å; I455-L461 HydrophobicContact CG2-CD1 3.97Å | ||
| 456 | Q | 93.2 | Very high | 94.4 | Very high | 115 Ų | 115 | 62.9 Ų | 62.9 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | trans | -110.5 | 172.7 | -176.3 | -60.7 | -171.9 | -3.7 | 0 | 0 | 111.2 | N454 E458 S459 | N454-Q456 PolarHBondContact O-N 3.1Å; N454-Q456 PolarHBondContact OD1-NE2 3.5Å; Q456-E458 PolarHBondContact O-N 3.33Å; Q456-S459 PolarHBondContact N-OG 3.39Å; Q456-S459 WeakPolarHBondContact O-CB 3.36Å; Q456-S459 PolarHBondContact O-N 3.27Å; Q456-S459 PolarHBondContact O-OG 3.31Å | ||
| 457 | K | 90.5 | Very high | 93.3 | Very high | 100 Ų | 100 | 67.5 Ų | 67.5 | 44% | 0.435 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 136.7 | 171.7 | -177.8 | 164.4 | 179.3 | 153 | 0 | 110.7 | G394 M395 S459 | G394-K457 WeakPolarHBondContact O-CE 3.1Å; G394-K457 PolarHBondContact O-NZ 2.72Å; M395-K457 HydrophobicContact CG-CB 4.23Å; K457-S459 PolarHBondContact O-N 3.47Å |
| 458 | E | 91.9 | Very high | 92 | Very high | 127 Ų | 127 | 73.2 Ų | 73.2 | 59% | 0.593 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 10.3 | -176.4 | -64.6 | 174.8 | -171.9 | 0 | 0 | 115.7 | Q396 F398 Q456 | Q396-E458 WeakPolarHBondContact O-CA 3.46Å; Q396-E458 PolarHBondContact O-N 3.47Å; F398-E458 WeakPolarHBondContact CD2-O 3.38Å; F398-E458 HydrophobicContact CE2-CB 3.86Å; F398-E458 HydrophobicContact CE2-CG 3.97Å; F398-E458 HydrophobicContact CZ-CG 4.45Å; Q456-E458 PolarHBondContact O-N 3.33Å |
| 459 | S | 96.6 | Very high | 90.3 | Very high | 20 Ų | 20 | 70 Ų | 70 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | trans | -60.6 | 143.9 | 172.4 | -68.1 | 0 | 0 | 0 | 0 | 111.7 | I397 F398 Q456 K457 | I397-S459 WeakPolarHBondContact CA-O 3.34Å; F398-S459 PolarHBondContact N-O 3.05Å; Q456-S459 PolarHBondContact N-OG 3.39Å; Q456-S459 WeakPolarHBondContact O-CB 3.36Å; Q456-S459 PolarHBondContact O-N 3.27Å; Q456-S459 PolarHBondContact O-OG 3.31Å; K457-S459 PolarHBondContact O-N 3.47Å | ||
| 460 | T | 96.8 | Very high | 89.3 | Confident | 51 Ų | 51 | 69.1 Ų | 69.1 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117.2 | 176.3 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | F398 K400 | F398-T460 HydrophobicContact CB-CG2 4.38Å; F398-T460 CarbonylContact O-C 3.58Å; F398-T460 VanDerWaalsContact O-CA 3.3Å; F398-T460 WeakPolarHBondContact O-CA 3.42Å; K400-T460 HydrophobicContact CB-CG2 4.28Å; K400-T460 HydrophobicContact CD-CG2 3.95Å; K400-T460 HydrophobicContact CG-CG2 3.93Å |
| 461 | L | 97.6 | Very high | 89 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 154.1 | 170.1 | -71.7 | 66.4 | 0 | 0 | 0 | 109.3 | I397 F398 V399 K400 L437 I438 F439 L444 I455 | I397-L461 HydrophobicContact CB-CD1 4.43Å; I397-L461 HydrophobicContact CD1-CD1 4.04Å; I397-L461 HydrophobicContact CD1-CD2 4.28Å; F398-L461 PolarHBondContact O-N 2.91Å; V399-L461 CarbonylContact C-O 3.57Å; V399-L461 WeakPolarHBondContact CA-O 3.37Å; V399-L461 HydrophobicContact CG2-CB 4.37Å; K400-L461 PolarHBondContact N-O 2.92Å; L437-L461 HydrophobicContact CB-CD2 4.4Å; L437-L461 HydrophobicContact CD1-CD2 4.31Å; L437-L461 HydrophobicContact CD2-CB 4.49Å; L437-L461 HydrophobicContact CD2-CD2 4.4Å; I438-L461 CarbonylContact O-C 3.6Å; I438-L461 WeakPolarHBondContact O-CA 3.49Å; F439-L461 HydrophobicContact CB-CG 4.28Å; F439-L461 HydrophobicContact CD2-CD1 4.11Å; F439-L461 HydrophobicContact CD2-CG 4.29Å; L444-L461 HydrophobicContact CD1-CD2 3.6Å; L444-L461 HydrophobicContact CD1-CG 4.27Å; I455-L461 HydrophobicContact CD1-CD1 4.29Å; I455-L461 HydrophobicContact CD1-CD2 4.25Å; I455-L461 HydrophobicContact CD1-CG 4.42Å; I455-L461 HydrophobicContact CG2-CD1 3.97Å |
| 462 | H | 97.4 | Very high | 88.8 | Confident | 95 Ų | 95 | 69.2 Ų | 69.2 | 44% | 0.44 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129.5 | 172.7 | -65.5 | 73.3 | 0 | 0 | 0 | 109.6 | K400 L437 I438 | K400-H462 CarbonylContact O-C 3.47Å; K400-H462 WeakPolarHBondContact O-CA 3.44Å; L437-H462 CarbonylContact C-O 3.5Å; L437-H462 WeakPolarHBondContact CA-O 3.33Å; I438-H462 HydrophobicContact CB-CB 4.32Å; I438-H462 PolarHBondContact N-O 3.48Å; I438-H462 PolarHBondContact O-N 3.14Å |
| 463 | L | 95.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 121.7 | 174.7 | 176.5 | 62.5 | 0 | 0 | 0 | 110 | V399 K400 T401 I424 I430 Q435 R436 L437 L465 | V399-L463 HydrophobicContact CG1-CB 3.51Å; V399-L463 HydrophobicContact CG1-CD2 4.37Å; K400-L463 PolarHBondContact O-N 3.07Å; T401-L463 HydrophobicContact CG2-CD2 4.37Å; I424-L463 HydrophobicContact CG2-CD2 4.08Å; I430-L463 HydrophobicContact CD1-CD2 4.24Å; Q435-L463 HydrophobicContact CB-CD1 3.71Å; Q435-L463 HydrophobicContact CG-CD1 3.96Å; R436-L463 WeakPolarHBondContact O-CA 3.44Å; L437-L463 HydrophobicContact CD2-CB 4.25Å; L437-L463 HydrophobicContact CD2-CD1 4.09Å; L463-L465 HydrophobicContact CD1-CD2 4.19Å; L463-L465 HydrophobicContact CD2-CD2 4.05Å; L463-L465 HydrophobicContact CG-CD2 4Å |
| 464 | V | 92.3 | Very high | 88.7 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 24% | 0.242 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.2 | 170.6 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | L402 R436 I438 | L402-V464 HydrophobicContact CD1-CG1 4.22Å; L402-V464 HydrophobicContact CD1-CG2 4.29Å; L402-V464 HydrophobicContact CD2-CG2 4.36Å; L402-V464 HydrophobicContact CG-CG2 4.36Å; R436-V464 HydrophobicContact CB-CB 4.31Å; R436-V464 WeakPolarHBondContact CB-O 3.5Å; R436-V464 PolarHBondContact N-O 3.32Å; R436-V464 PolarHBondContact O-N 3.43Å; I438-V464 HydrophobicContact CD1-CB 4.48Å; I438-V464 HydrophobicContact CD1-CG2 3.68Å |
| 465 | L | 88.5 | Confident | 88.8 | Confident | 93 Ų | 93 | 60.4 Ų | 60.4 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 131.1 | 178.7 | -57.1 | -177.5 | 0 | 0 | 0 | 110.4 | I430 Q434 L463 | I430-L465 HydrophobicContact CD1-CD1 4.39Å; I430-L465 HydrophobicContact CD1-CD2 3.98Å; I430-L465 HydrophobicContact CG2-CD2 3.65Å; Q434-L465 CarbonylContact O-C 3.6Å; Q434-L465 WeakPolarHBondContact O-CA 3.33Å; L463-L465 HydrophobicContact CD1-CD2 4.19Å; L463-L465 HydrophobicContact CD2-CD2 4.05Å; L463-L465 HydrophobicContact CG-CD2 4Å |
| 466 | R | 82.9 | Confident | 88.8 | Confident | 95 Ų | 95 | 64.2 Ų | 64.2 | 36% | 0.358 | 31% | 0.313 | S | S | . | . | trans | -86.8 | 132 | 170.4 | -55.7 | 176.3 | 91.9 | 137.9 | -9.1 | 108 | Q434 R436 R468 | Q434-R466 PolarHBondContact O-N 3.49Å; R436-R466 HydrophobicContact CG-CG 3.82Å; R466-R468 VanDerWaalsContact C-N 3.26Å; R466-R468 PolarHBondContact O-N 2.88Å | ||
| 467 | L | 69.6 | Low | 88.6 | Confident | 163 Ų | 163 | 60 Ų | 60 | 85% | 0.853 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -72.4 | -21.3 | 176.8 | -67.1 | 170.6 | 0 | 0 | 0 | 113.1 | ||
| 468 | R | 66.6 | Low | 88.2 | Confident | 193 Ų | 193 | 62 Ų | 62 | 73% | 0.728 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -150 | 110.4 | -179.4 | -61.8 | -173.2 | -164.7 | 173.3 | 4 | 108.6 | R466 | R466-R468 VanDerWaalsContact C-N 3.26Å; R466-R468 PolarHBondContact O-N 2.88Å |
| 469 | G | 61.5 | Low | 87.7 | Confident | 40 Ų | 40 | 62 Ų | 62 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | trans | -138.6 | -22.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 470 | G | 75.8 | Confident | 87.1 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 9% | 0.093 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -111.3 | -168.4 | -162.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | D433 Q472 E486 | D433-G470 WeakPolarHBondContact OD2-CA 3.5Å; D433-G470 PolarHBondContact OD2-N 3Å; G470-Q472 PolarHBondContact O-N 2.85Å; G470-E486 PolarHBondContact N-OE2 3.1Å; G470-E486 VanDerWaalsContact N-OE2 3.13Å |
| 471 | M | 89.7 | Confident | 86.9 | Confident | 27 Ų | 27 | 66 Ų | 66 | 13% | 0.133 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 120.8 | 162.9 | 174.1 | -175.3 | 175.3 | 0 | 0 | 108.1 | I473 V487 P489 I531 K533 | M471-I473 HydrophobicContact CE-CG2 4.11Å; M471-V487 WeakPolarHBondContact CB-O 3.45Å; M471-V487 HydrophobicContact CE-CG2 4.48Å; M471-V487 HydrophobicContact CG-CG2 4.09Å; M471-V487 WeakPolarHBondContact O-CG2 3.38Å; M471-V487 PolarHBondContact O-N 3.26Å; M471-V487 VanDerWaalsContact O-O 3.06Å; M471-V487 HydrophobicContact SD-CG2 4.35Å; M471-P489 HydrophobicContact SD-CG 3.83Å; M471-I531 HydrophobicContact CE-CG2 4.39Å; M471-I531 WeakPolarHBondContact CE-O 3.44Å; M471-K533 HydrophobicContact CG-CB 4.07Å; M471-K533 HydrophobicContact CG-CG 4.46Å |
| 472 | Q | 91.4 | Very high | 86.8 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 141.8 | 174.8 | -67.6 | 179.1 | 24.8 | 0 | 0 | 109.2 | G470 T484 L485 E486 E534 | G470-Q472 PolarHBondContact O-N 2.85Å; Q472-T484 HydrophobicContact CB-CG2 4.14Å; Q472-T484 HydrophobicContact CG-CG2 4.3Å; Q472-T484 VanDerWaalsContact OE1-CG2 3.26Å; Q472-L485 CarbonylContact C-O 3.57Å; Q472-L485 VanDerWaalsContact CA-O 3.25Å; Q472-L485 WeakPolarHBondContact CA-O 3.44Å; Q472-E486 WeakPolarHBondContact CG-OE1 3.29Å; Q472-E486 PolarHBondContact NE2-OE1 3.23Å; Q472-E534 WeakPolarHBondContact O-CA 3.41Å; Q472-E534 PolarHBondContact O-N 3.33Å |
| 473 | I | 95.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 157.8 | 167.3 | 62.6 | 173.3 | 0 | 0 | 0 | 109.2 | M471 L485 V487 V496 L526 I531 L537 | M471-I473 HydrophobicContact CE-CG2 4.11Å; I473-L485 HydrophobicContact CG1-CB 4.03Å; I473-L485 PolarHBondContact N-O 2.82Å; I473-L485 PolarHBondContact O-N 3.11Å; I473-V487 HydrophobicContact CB-CG2 4.33Å; I473-V487 HydrophobicContact CD1-CG1 3.85Å; I473-V487 HydrophobicContact CD1-CG2 4.06Å; I473-V487 HydrophobicContact CG1-CG1 3.94Å; I473-V487 HydrophobicContact CG1-CG2 3.83Å; I473-V487 HydrophobicContact CG2-CG2 3.76Å; I473-V496 HydrophobicContact CD1-CG1 4.29Å; I473-L526 HydrophobicContact CD1-CD1 4.2Å; I473-L526 HydrophobicContact CD1-CD2 4.25Å; I473-I531 HydrophobicContact CG2-CG2 3.88Å; I473-L537 HydrophobicContact CB-CD1 4.37Å; I473-L537 HydrophobicContact CD1-CD1 3.99Å; I473-L537 HydrophobicContact CD1-CD2 4.34Å |
| 474 | F | 97.1 | Very high | 86.4 | Confident | 54 Ų | 54 | 67.3 Ų | 67.3 | 24% | 0.237 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136.7 | 177.6 | -58.2 | -69.9 | 0 | 0 | 0 | 109.9 | T482 I483 T484 E534 S535 T536 L537 | F474-T482 HydrophobicContact CB-CG2 3.89Å; F474-T482 HydrophobicContact CD1-CG2 3.93Å; F474-T482 HydrophobicContact CG-CG2 4.23Å; F474-I483 CarbonylContact C-O 3.6Å; F474-I483 WeakPolarHBondContact CA-O 3.37Å; F474-T484 HydrophobicContact CD1-CG2 4.2Å; F474-T484 HydrophobicContact CE1-CG2 3.9Å; F474-E534 WeakPolarHBondContact CD2-O 3.31Å; F474-E534 HydrophobicContact CE2-CB 3.87Å; F474-E534 HydrophobicContact CE2-CG 3.94Å; F474-E534 HydrophobicContact CZ-CG 4.46Å; F474-S535 PolarHBondContact N-O 3.04Å; F474-T536 HydrophobicContact CB-CG2 4.45Å; F474-T536 CarbonylContact O-C 3.52Å; F474-T536 VanDerWaalsContact O-CA 3.3Å; F474-T536 WeakPolarHBondContact O-CA 3.06Å; F474-L537 PolarHBondContact O-N 3.43Å |
| 475 | V | 97.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 114.5 | 173.1 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | I483 L485 I500 L513 L537 L539 | V475-I483 HydrophobicContact CB-CB 4.34Å; V475-I483 PolarHBondContact N-O 2.88Å; V475-I483 PolarHBondContact O-N 3.25Å; V475-L485 HydrophobicContact CG2-CD1 3.58Å; V475-L485 HydrophobicContact CG2-CG 4.22Å; V475-I500 HydrophobicContact CG1-CD1 4.13Å; V475-I500 HydrophobicContact CG2-CD1 4.14Å; V475-L513 HydrophobicContact CG1-CD2 4.09Å; V475-L537 CarbonylContact C-O 3.42Å; V475-L537 WeakPolarHBondContact CA-O 3.5Å; V475-L537 HydrophobicContact CG2-CB 4.37Å; V475-L539 HydrophobicContact CG1-CB 3.55Å; V475-L539 HydrophobicContact CG1-CD2 4.43Å |
| 476 | K | 96.3 | Very high | 86.4 | Confident | 86 Ų | 86 | 62.2 Ų | 62.2 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127.3 | 175.9 | -79.3 | -172.2 | 178.9 | -178.4 | 0 | 110.8 | K481 T482 T536 L537 H538 L539 | K476-K481 WeakPolarHBondContact CA-O 3.46Å; K476-T482 WeakPolarHBondContact CE-OG1 3.49Å; K476-T482 HydrophobicContact CG-CG2 4.3Å; K476-T482 WeakPolarHBondContact CG-OG1 3.38Å; K476-T536 HydrophobicContact CB-CG2 4.32Å; K476-T536 HydrophobicContact CD-CG2 3.91Å; K476-T536 HydrophobicContact CG-CG2 3.87Å; K476-L537 PolarHBondContact N-O 3.18Å; K476-H538 WeakPolarHBondContact O-CA 3.42Å; K476-L539 PolarHBondContact O-N 3.33Å |
| 477 | T | 89.7 | Confident | 86.8 | Confident | 26 Ų | 26 | 57.9 Ų | 57.9 | 16% | 0.16 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 164.3 | 170.1 | 68.4 | 0 | 0 | 0 | 0 | 110.6 | T479 G480 K481 I483 L539 | T477-T479 PolarHBondContact O-N 3.28Å; T477-T479 PolarHBondContact OG1-N 2.76Å; T477-T479 PolarHBondContact OG1-OG1 2.88Å; T477-G480 PolarHBondContact O-N 3.2Å; T477-K481 HydrophobicContact CG2-CB 4.35Å; T477-K481 PolarHBondContact N-O 2.88Å; T477-K481 WeakPolarHBondContact OG1-CB 3.43Å; T477-K481 PolarHBondContact OG1-N 2.91Å; T477-K481 PolarHBondContact OG1-O 3.1Å; T477-I483 HydrophobicContact CG2-CD1 3.9Å; T477-L539 HydrophobicContact CG2-CD2 4.48Å |
| 478 | L | 82 | Confident | 87.8 | Confident | 141 Ų | 141 | 52 Ų | 52 | 74% | 0.738 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.1 | 172.2 | -68.8 | 175.9 | 0 | 0 | 0 | 113.8 | G480 V540 | L478-G480 PolarHBondContact O-N 3.29Å; L478-V540 HydrophobicContact CD1-CG1 4.21Å; L478-V540 HydrophobicContact CD1-CG2 4.46Å; L478-V540 HydrophobicContact CD2-CG2 4.16Å; L478-V540 HydrophobicContact CG-CG2 4.37Å |
| 479 | T | 81.4 | Confident | 89 | Confident | 128 Ų | 128 | 46.2 Ų | 46.2 | 79% | 0.785 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -3.7 | 175.3 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | T477 K481 | T477-T479 PolarHBondContact O-N 3.28Å; T477-T479 PolarHBondContact OG1-N 2.76Å; T477-T479 PolarHBondContact OG1-OG1 2.88Å; T479-K481 VanDerWaalsContact C-N 3.34Å |
| 480 | G | 84.1 | Confident | 90.5 | Very high | 53 Ų | 53 | 47.8 Ų | 47.8 | 55% | 0.546 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 86.7 | -2.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T477 L478 T482 | T477-G480 PolarHBondContact O-N 3.2Å; L478-G480 PolarHBondContact O-N 3.29Å; G480-T482 PolarHBondContact O-N 2.78Å |
| 481 | K | 92.6 | Very high | 91.2 | Very high | 103 Ų | 103 | 48 Ų | 48 | 45% | 0.448 | 27% | 0.273 | S | S | . | . | trans | -65.1 | 132.9 | 174.1 | -174.5 | -178.3 | 172.9 | -170.4 | 0 | 109.2 | K476 T477 T479 E504 | K476-K481 WeakPolarHBondContact CA-O 3.46Å; T477-K481 HydrophobicContact CG2-CB 4.35Å; T477-K481 PolarHBondContact N-O 2.88Å; T477-K481 WeakPolarHBondContact OG1-CB 3.43Å; T477-K481 PolarHBondContact OG1-N 2.91Å; T477-K481 PolarHBondContact OG1-O 3.1Å; T479-K481 VanDerWaalsContact C-N 3.34Å; K481-E504 WeakPolarHBondContact CE-OE1 3.39Å; K481-E504 IonicContact NZ-OE1 3.94Å; K481-E504 PolarHBondContact NZ-OE1 3.13Å; K481-E504 IonicContact NZ-OE2 2.72Å; K481-E504 PolarHBondContact NZ-OE2 2.8Å | ||
| 482 | T | 94.6 | Very high | 91.5 | Very high | 66 Ų | 66 | 48.5 Ų | 48.5 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126.3 | 176 | -56.1 | 0 | 0 | 0 | 0 | 109.4 | F474 K476 G480 | F474-T482 HydrophobicContact CB-CG2 3.89Å; F474-T482 HydrophobicContact CD1-CG2 3.93Å; F474-T482 HydrophobicContact CG-CG2 4.23Å; K476-T482 WeakPolarHBondContact CE-OG1 3.49Å; K476-T482 HydrophobicContact CG-CG2 4.3Å; K476-T482 WeakPolarHBondContact CG-OG1 3.38Å; G480-T482 PolarHBondContact O-N 2.78Å |
| 483 | I | 93 | Very high | 91.8 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.1 | 177.2 | -54.2 | 149.3 | 0 | 0 | 0 | 107.3 | F474 V475 T477 L485 K503 E504 | F474-I483 CarbonylContact C-O 3.6Å; F474-I483 WeakPolarHBondContact CA-O 3.37Å; V475-I483 HydrophobicContact CB-CB 4.34Å; V475-I483 PolarHBondContact N-O 2.88Å; V475-I483 PolarHBondContact O-N 3.25Å; T477-I483 HydrophobicContact CG2-CD1 3.9Å; I483-L485 HydrophobicContact CG2-CD2 4.17Å; I483-K503 HydrophobicContact CG2-CB 4.49Å; I483-K503 HydrophobicContact CG2-CD 4.12Å; I483-E504 HydrophobicContact CD1-CG 3.58Å; I483-E504 HydrophobicContact CG1-CG 3.96Å; I483-E504 HydrophobicContact CG2-CG 4.43Å |
| 484 | T | 93.5 | Very high | 91.7 | Very high | 51 Ų | 51 | 52.3 Ų | 52.3 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 128.4 | 174.8 | -51.3 | 0 | 0 | 0 | 0 | 109.5 | Q472 F474 K503 | Q472-T484 HydrophobicContact CB-CG2 4.14Å; Q472-T484 HydrophobicContact CG-CG2 4.3Å; Q472-T484 VanDerWaalsContact OE1-CG2 3.26Å; F474-T484 HydrophobicContact CD1-CG2 4.2Å; F474-T484 HydrophobicContact CE1-CG2 3.9Å; T484-K503 PolarHBondContact O-NZ 2.6Å |
| 485 | L | 91.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 137.8 | 175.8 | -61.9 | 177.2 | 0 | 0 | 0 | 110.5 | Q472 I473 V475 I483 V487 V496 K499 I500 K503 | Q472-L485 CarbonylContact C-O 3.57Å; Q472-L485 VanDerWaalsContact CA-O 3.25Å; Q472-L485 WeakPolarHBondContact CA-O 3.44Å; I473-L485 HydrophobicContact CG1-CB 4.03Å; I473-L485 PolarHBondContact N-O 2.82Å; I473-L485 PolarHBondContact O-N 3.11Å; V475-L485 HydrophobicContact CG2-CD1 3.58Å; V475-L485 HydrophobicContact CG2-CG 4.22Å; I483-L485 HydrophobicContact CG2-CD2 4.17Å; L485-V487 HydrophobicContact CB-CG1 4.06Å; L485-V496 HydrophobicContact CD1-CG1 3.93Å; L485-K499 HydrophobicContact CD2-CB 4.18Å; L485-I500 HydrophobicContact CD1-CD1 4.12Å; L485-I500 HydrophobicContact CD1-CG1 3.57Å; L485-I500 HydrophobicContact CD2-CG1 4.37Å; L485-K503 HydrophobicContact CD2-CD 3.94Å; L485-K503 HydrophobicContact CD2-CG 4.46Å |
| 486 | E | 88.7 | Confident | 91.4 | Very high | 26 Ų | 26 | 53.3 Ų | 53.3 | 12% | 0.121 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 125 | 166.9 | -58.6 | -75.5 | 153.8 | 0 | 0 | 108 | G470 Q472 K499 | G470-E486 PolarHBondContact N-OE2 3.1Å; G470-E486 VanDerWaalsContact N-OE2 3.13Å; Q472-E486 WeakPolarHBondContact CG-OE1 3.29Å; Q472-E486 PolarHBondContact NE2-OE1 3.23Å; E486-K499 PolarHBondContact O-NZ 3.19Å |
| 487 | V | 91.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 159.2 | -172.3 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | M471 I473 L485 D491 V496 K499 L526 | M471-V487 WeakPolarHBondContact CB-O 3.45Å; M471-V487 HydrophobicContact CE-CG2 4.48Å; M471-V487 HydrophobicContact CG-CG2 4.09Å; M471-V487 WeakPolarHBondContact O-CG2 3.38Å; M471-V487 PolarHBondContact O-N 3.26Å; M471-V487 VanDerWaalsContact O-O 3.06Å; M471-V487 HydrophobicContact SD-CG2 4.35Å; I473-V487 HydrophobicContact CB-CG2 4.33Å; I473-V487 HydrophobicContact CD1-CG1 3.85Å; I473-V487 HydrophobicContact CD1-CG2 4.06Å; I473-V487 HydrophobicContact CG1-CG1 3.94Å; I473-V487 HydrophobicContact CG1-CG2 3.83Å; I473-V487 HydrophobicContact CG2-CG2 3.76Å; L485-V487 HydrophobicContact CB-CG1 4.06Å; V487-D491 VanDerWaalsContact CA-OD2 3.26Å; V487-D491 WeakPolarHBondContact CA-OD2 3.28Å; V487-D491 WeakPolarHBondContact CB-OD2 3.32Å; V487-V496 HydrophobicContact CG1-CG2 4.36Å; V487-K499 HydrophobicContact CG1-CD 4.35Å; V487-L526 HydrophobicContact CB-CD1 3.56Å; V487-L526 HydrophobicContact CG1-CD1 4.07Å; V487-L526 HydrophobicContact CG2-CD1 3.49Å; V487-L526 VanDerWaalsContact CG2-CD1 3.49Å |
| 488 | E | 89.7 | Confident | 91.4 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 19% | 0.187 | 29% | 0.294 | C | S | . | . | trans | -107.1 | 150.1 | 167.4 | -65.1 | -175.5 | 150.2 | 0 | 0 | 109.9 | Q425 S490 D491 | Q425-E488 PolarHBondContact NE2-OE2 3.39Å; E488-S490 PolarHBondContact O-N 2.95Å; E488-S490 VanDerWaalsContact O-N 3.08Å; E488-D491 PolarHBondContact N-OD2 3.21Å; E488-D491 VanDerWaalsContact O-CB 3.29Å; E488-D491 WeakPolarHBondContact O-CB 3.49Å; E488-D491 PolarHBondContact O-N 2.82Å | ||
| 489 | P | 92.6 | Very high | 91.8 | Very high | 71 Ų | 71 | 46 Ų | 46 | 46% | 0.461 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -27.1 | 176.5 | -24.6 | 33.1 | 0 | 0 | 0 | 114 | M471 S527 | M471-P489 HydrophobicContact SD-CG 3.83Å; P489-S527 WeakPolarHBondContact O-CB 3.42Å; P489-S527 PolarHBondContact O-N 3.29Å |
| 490 | S | 92 | Very high | 92.4 | Very high | 74 Ų | 74 | 39.9 Ų | 39.9 | 52% | 0.517 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -11.6 | 176 | 42.8 | 0 | 0 | 0 | 0 | 114.2 | E488 T492 T525 | E488-S490 PolarHBondContact O-N 2.95Å; E488-S490 VanDerWaalsContact O-N 3.08Å; S490-T492 PolarHBondContact O-N 2.82Å; S490-T525 WeakPolarHBondContact O-CG2 3.5Å |
| 491 | D | 91.7 | Very high | 92.6 | Very high | 14 Ų | 14 | 39.9 Ų | 39.9 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | trans | -59.3 | 130.3 | 178.5 | -82.8 | -24.1 | 0 | 0 | 0 | 110.1 | V487 E488 N495 V496 K499 T525 L526 | V487-D491 VanDerWaalsContact CA-OD2 3.26Å; V487-D491 WeakPolarHBondContact CA-OD2 3.28Å; V487-D491 WeakPolarHBondContact CB-OD2 3.32Å; E488-D491 PolarHBondContact N-OD2 3.21Å; E488-D491 VanDerWaalsContact O-CB 3.29Å; E488-D491 WeakPolarHBondContact O-CB 3.49Å; E488-D491 PolarHBondContact O-N 2.82Å; D491-N495 HydrophobicContact CB-CB 4.48Å; D491-V496 HydrophobicContact CB-CG2 4.26Å; D491-K499 IonicContact OD1-NZ 2.76Å; D491-K499 IonicContact OD2-NZ 2.63Å; D491-K499 PolarHBondContact OD2-NZ 3.23Å; D491-T525 CarbonylContact O-C 3.58Å; D491-T525 WeakPolarHBondContact O-CA 3.21Å; D491-L526 HydrophobicContact CB-CD1 4.27Å; D491-L526 HydrophobicContact CB-CG 4.48Å; D491-L526 PolarHBondContact O-N 3.01Å | ||
| 492 | T | 95.3 | Very high | 92.2 | Very high | 37 Ų | 37 | 41.2 Ų | 41.2 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -72.1 | 157.2 | 170.8 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | S490 E494 N495 V496 R524 | S490-T492 PolarHBondContact O-N 2.82Å; T492-E494 PolarHBondContact O-N 3.14Å; T492-N495 WeakPolarHBondContact O-CB 3.3Å; T492-N495 PolarHBondContact O-N 3.11Å; T492-N495 VanDerWaalsContact O-N 3.08Å; T492-N495 PolarHBondContact OG1-N 2.99Å; T492-N495 VanDerWaalsContact OG1-N 3.16Å; T492-N495 PolarHBondContact OG1-OD1 3.37Å; T492-V496 WeakPolarHBondContact O-CG2 3.43Å; T492-V496 PolarHBondContact O-N 3.13Å; T492-R524 CarbonylContact C-O 3.47Å; T492-R524 VanDerWaalsContact CA-O 3.24Å; T492-R524 WeakPolarHBondContact CA-O 3.49Å |
| 493 | I | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -32.2 | 175 | -61.6 | -56.7 | 0 | 0 | 0 | 111.3 | V496 K497 L513 L520 E521 D522 R524 L526 Y529 | I493-V496 PolarHBondContact O-N 2.9Å; I493-K497 WeakPolarHBondContact O-CG 3.41Å; I493-K497 PolarHBondContact O-N 3.32Å; I493-L513 HydrophobicContact CG2-CD1 4.27Å; I493-L520 HydrophobicContact CD1-CB 3.9Å; I493-L520 HydrophobicContact CD1-CD1 3.63Å; I493-L520 HydrophobicContact CD1-CG 4.29Å; I493-L520 HydrophobicContact CG1-CB 3.9Å; I493-L520 HydrophobicContact CG2-CB 3.86Å; I493-E521 VanDerWaalsContact CB-O 3.28Å; I493-E521 WeakPolarHBondContact CB-O 3.43Å; I493-E521 VanDerWaalsContact CG1-O 3.28Å; I493-E521 WeakPolarHBondContact CG1-O 3.38Å; I493-D522 PolarHBondContact N-O 3.43Å; I493-R524 WeakPolarHBondContact CG1-O 3.49Å; I493-R524 PolarHBondContact N-O 3.24Å; I493-L526 HydrophobicContact CD1-CD2 4.02Å; I493-Y529 HydrophobicContact CD1-CD2 4.46Å; I493-Y529 HydrophobicContact CG1-CE2 4.23Å |
| 494 | E | 94.4 | Very high | 91.7 | Very high | 119 Ų | 119 | 46.7 Ų | 46.7 | 56% | 0.556 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -58.8 | -47.1 | 169.9 | -170.5 | 172.7 | -166 | 0 | 0 | 112.1 | T492 V496 K497 A498 D522 | T492-E494 PolarHBondContact O-N 3.14Å; E494-V496 VanDerWaalsContact C-N 3.32Å; E494-V496 PolarHBondContact O-N 3.04Å; E494-K497 WeakPolarHBondContact O-CB 3.28Å; E494-K497 PolarHBondContact O-N 3.25Å; E494-K497 VanDerWaalsContact O-N 3.15Å; E494-A498 PolarHBondContact O-N 3.46Å; E494-D522 HydrophobicContact CB-CB 4.22Å; E494-D522 PolarHBondContact N-O 3.35Å |
| 495 | N | 92.2 | Very high | 91.2 | Very high | 75 Ų | 75 | 47 Ų | 47 | 40% | 0.401 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 175.7 | -67.2 | -3.7 | 0 | 0 | 0 | 111.6 | D491 T492 K497 A498 K499 | D491-N495 HydrophobicContact CB-CB 4.48Å; T492-N495 WeakPolarHBondContact O-CB 3.3Å; T492-N495 PolarHBondContact O-N 3.11Å; T492-N495 VanDerWaalsContact O-N 3.08Å; T492-N495 PolarHBondContact OG1-N 2.99Å; T492-N495 VanDerWaalsContact OG1-N 3.16Å; T492-N495 PolarHBondContact OG1-OD1 3.37Å; N495-K497 VanDerWaalsContact C-N 3.29Å; N495-K497 PolarHBondContact O-N 3.47Å; N495-A498 PolarHBondContact O-N 3Å; N495-K499 WeakPolarHBondContact O-CG 3.44Å; N495-K499 PolarHBondContact O-N 2.83Å |
| 496 | V | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 176.8 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | I473 L485 V487 D491 T492 I493 E494 K499 I500 L513 L526 | I473-V496 HydrophobicContact CD1-CG1 4.29Å; L485-V496 HydrophobicContact CD1-CG1 3.93Å; V487-V496 HydrophobicContact CG1-CG2 4.36Å; D491-V496 HydrophobicContact CB-CG2 4.26Å; T492-V496 WeakPolarHBondContact O-CG2 3.43Å; T492-V496 PolarHBondContact O-N 3.13Å; I493-V496 PolarHBondContact O-N 2.9Å; E494-V496 VanDerWaalsContact C-N 3.32Å; E494-V496 PolarHBondContact O-N 3.04Å; V496-K499 WeakPolarHBondContact O-CB 3.32Å; V496-K499 PolarHBondContact O-N 3.1Å; V496-I500 HydrophobicContact CG1-CD1 4.36Å; V496-I500 WeakPolarHBondContact O-CG1 3.5Å; V496-I500 PolarHBondContact O-N 3.21Å; V496-I500 VanDerWaalsContact O-N 3.09Å; V496-L513 HydrophobicContact CB-CD1 4.44Å; V496-L513 HydrophobicContact CG1-CD1 3.84Å; V496-L526 HydrophobicContact CG2-CD1 4.17Å; V496-L526 HydrophobicContact CG2-CD2 3.97Å; V496-L526 HydrophobicContact CG2-CG 4.13Å |
| 497 | K | 94.4 | Very high | 90.6 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.3 | -42 | 175.6 | -72.2 | 172.4 | 165.7 | -171.2 | 0 | 112.6 | I493 E494 N495 K499 I500 Q501 P508 Q511 L513 D522 | I493-K497 WeakPolarHBondContact O-CG 3.41Å; I493-K497 PolarHBondContact O-N 3.32Å; E494-K497 WeakPolarHBondContact O-CB 3.28Å; E494-K497 PolarHBondContact O-N 3.25Å; E494-K497 VanDerWaalsContact O-N 3.15Å; N495-K497 VanDerWaalsContact C-N 3.29Å; N495-K497 PolarHBondContact O-N 3.47Å; K497-K499 VanDerWaalsContact C-N 3.29Å; K497-K499 PolarHBondContact O-N 2.9Å; K497-I500 WeakPolarHBondContact O-CB 3.19Å; K497-I500 PolarHBondContact O-N 3.27Å; K497-I500 VanDerWaalsContact O-N 3.1Å; K497-Q501 PolarHBondContact O-N 2.72Å; K497-P508 HydrophobicContact CB-CB 3.84Å; K497-P508 HydrophobicContact CB-CG 4.35Å; K497-P508 HydrophobicContact CD-CB 4.23Å; K497-P508 WeakPolarHBondContact CD-O 3.32Å; K497-P508 PolarHBondContact NZ-O 3.09Å; K497-Q511 HydrophobicContact CD-CB 4.32Å; K497-Q511 WeakPolarHBondContact CE-O 3.16Å; K497-Q511 HydrophobicContact CG-CB 4.06Å; K497-Q511 PolarHBondContact NZ-O 3.3Å; K497-Q511 PolarHBondContact O-NE2 3.01Å; K497-Q511 PolarHBondContact O-OE1 3.19Å; K497-L513 HydrophobicContact CG-CD1 3.9Å; K497-L513 HydrophobicContact CG-CG 4.48Å; K497-D522 WeakPolarHBondContact CD-OD1 3.43Å; K497-D522 WeakPolarHBondContact CE-OD1 3.35Å; K497-D522 IonicContact NZ-OD1 2.74Å; K497-D522 PolarHBondContact NZ-OD1 2.98Å; K497-D522 IonicContact NZ-OD2 2.62Å; K497-D522 PolarHBondContact NZ-OD2 3.22Å |
| 498 | A | 90.8 | Very high | 90.5 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 31% | 0.306 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.9 | -44.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | E494 N495 I500 Q501 D502 | E494-A498 PolarHBondContact O-N 3.46Å; N495-A498 PolarHBondContact O-N 3Å; A498-I500 VanDerWaalsContact C-N 3.25Å; A498-I500 PolarHBondContact O-N 3.23Å; A498-Q501 WeakPolarHBondContact O-CA 3.28Å; A498-Q501 VanDerWaalsContact O-CB 3.29Å; A498-Q501 WeakPolarHBondContact O-CB 3.38Å; A498-Q501 PolarHBondContact O-N 3.26Å; A498-D502 PolarHBondContact O-N 2.78Å |
| 499 | K | 92.2 | Very high | 90.2 | Very high | 52 Ų | 52 | 51 Ų | 51 | 23% | 0.226 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.8 | -31.5 | 175.1 | -70.4 | 177.4 | 176.1 | -172.1 | 0 | 113.6 | L485 E486 V487 D491 N495 V496 K497 K503 | L485-K499 HydrophobicContact CD2-CB 4.18Å; E486-K499 PolarHBondContact O-NZ 3.19Å; V487-K499 HydrophobicContact CG1-CD 4.35Å; D491-K499 IonicContact OD1-NZ 2.76Å; D491-K499 IonicContact OD2-NZ 2.63Å; D491-K499 PolarHBondContact OD2-NZ 3.23Å; N495-K499 WeakPolarHBondContact O-CG 3.44Å; N495-K499 PolarHBondContact O-N 2.83Å; V496-K499 WeakPolarHBondContact O-CB 3.32Å; V496-K499 PolarHBondContact O-N 3.1Å; K497-K499 VanDerWaalsContact C-N 3.29Å; K497-K499 PolarHBondContact O-N 2.9Å; K499-K503 PolarHBondContact O-N 2.87Å |
| 500 | I | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.2 | -40.4 | 173.1 | -66.2 | 164.4 | 0 | 0 | 0 | 110.7 | V475 L485 V496 K497 A498 D502 K503 E504 I506 Q511 L513 L539 | V475-I500 HydrophobicContact CG1-CD1 4.13Å; V475-I500 HydrophobicContact CG2-CD1 4.14Å; L485-I500 HydrophobicContact CD1-CD1 4.12Å; L485-I500 HydrophobicContact CD1-CG1 3.57Å; L485-I500 HydrophobicContact CD2-CG1 4.37Å; V496-I500 HydrophobicContact CG1-CD1 4.36Å; V496-I500 WeakPolarHBondContact O-CG1 3.5Å; V496-I500 PolarHBondContact O-N 3.21Å; V496-I500 VanDerWaalsContact O-N 3.09Å; K497-I500 WeakPolarHBondContact O-CB 3.19Å; K497-I500 PolarHBondContact O-N 3.27Å; K497-I500 VanDerWaalsContact O-N 3.1Å; A498-I500 VanDerWaalsContact C-N 3.25Å; A498-I500 PolarHBondContact O-N 3.23Å; I500-D502 VanDerWaalsContact C-N 3.3Å; I500-D502 PolarHBondContact O-N 2.91Å; I500-K503 PolarHBondContact O-N 2.8Å; I500-E504 WeakPolarHBondContact O-CB 3.4Å; I500-E504 PolarHBondContact O-N 3.49Å; I500-I506 HydrophobicContact CG2-CD1 4.44Å; I500-Q511 VanDerWaalsContact CD1-OE1 3.3Å; I500-L513 HydrophobicContact CD1-CD1 3.99Å; I500-L513 HydrophobicContact CD1-CD2 3.66Å; I500-L513 HydrophobicContact CD1-CG 4.33Å; I500-L539 HydrophobicContact CG2-CD2 4Å |
| 501 | Q | 89.2 | Confident | 89.9 | Confident | 54 Ų | 54 | 45.5 Ų | 45.5 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.5 | -45.3 | 174.5 | -177.4 | -178.8 | 28.7 | 0 | 0 | 110.5 | K497 A498 K503 G505 I506 P508 E564 | K497-Q501 PolarHBondContact O-N 2.72Å; A498-Q501 WeakPolarHBondContact O-CA 3.28Å; A498-Q501 VanDerWaalsContact O-CB 3.29Å; A498-Q501 WeakPolarHBondContact O-CB 3.38Å; A498-Q501 PolarHBondContact O-N 3.26Å; Q501-K503 VanDerWaalsContact C-N 3.27Å; Q501-K503 PolarHBondContact O-N 2.76Å; Q501-G505 WeakPolarHBondContact O-CA 3.1Å; Q501-G505 PolarHBondContact O-N 3.22Å; Q501-I506 VanDerWaalsContact CA-O 3.29Å; Q501-I506 WeakPolarHBondContact CA-O 3.39Å; Q501-I506 WeakPolarHBondContact CB-O 3.25Å; Q501-P508 HydrophobicContact CB-CG 4.46Å; Q501-P508 VanDerWaalsContact CD-CD 3.5Å; Q501-E564 PolarHBondContact NE2-OE1 2.81Å; Q501-E564 VanDerWaalsContact NE2-OE1 3.16Å |
| 502 | D | 84.2 | Confident | 90 | Very high | 131 Ų | 131 | 49.8 Ų | 49.8 | 70% | 0.701 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62 | -35.3 | 178.9 | -66.9 | -25.9 | 0 | 0 | 0 | 112.7 | A498 I500 | A498-D502 PolarHBondContact O-N 2.78Å; I500-D502 VanDerWaalsContact C-N 3.3Å; I500-D502 PolarHBondContact O-N 2.91Å |
| 503 | K | 87.3 | Confident | 90 | Very high | 120 Ų | 120 | 48 Ų | 48 | 52% | 0.522 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -86.3 | -35.5 | -178.5 | -75.4 | -155.4 | 178.8 | -164.7 | 0 | 114.7 | I483 T484 L485 K499 I500 Q501 | I483-K503 HydrophobicContact CG2-CB 4.49Å; I483-K503 HydrophobicContact CG2-CD 4.12Å; T484-K503 PolarHBondContact O-NZ 2.6Å; L485-K503 HydrophobicContact CD2-CD 3.94Å; L485-K503 HydrophobicContact CD2-CG 4.46Å; K499-K503 PolarHBondContact O-N 2.87Å; I500-K503 PolarHBondContact O-N 2.8Å; Q501-K503 VanDerWaalsContact C-N 3.27Å; Q501-K503 PolarHBondContact O-N 2.76Å |
| 504 | E | 89.2 | Confident | 90 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 31% | 0.308 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -122.7 | -4.9 | -168.9 | -63.5 | -70.1 | 142.6 | 0 | 0 | 113.3 | K481 I483 I500 I506 | K481-E504 WeakPolarHBondContact CE-OE1 3.39Å; K481-E504 IonicContact NZ-OE1 3.94Å; K481-E504 PolarHBondContact NZ-OE1 3.13Å; K481-E504 IonicContact NZ-OE2 2.72Å; K481-E504 PolarHBondContact NZ-OE2 2.8Å; I483-E504 HydrophobicContact CD1-CG 3.58Å; I483-E504 HydrophobicContact CG1-CG 3.96Å; I483-E504 HydrophobicContact CG2-CG 4.43Å; I500-E504 WeakPolarHBondContact O-CB 3.4Å; I500-E504 PolarHBondContact O-N 3.49Å; E504-I506 VanDerWaalsContact C-N 3.27Å; E504-I506 HydrophobicContact CB-CD1 3.74Å; E504-I506 HydrophobicContact CB-CG1 4Å; E504-I506 PolarHBondContact O-N 2.88Å |
| 505 | G | 83.1 | Confident | 90.1 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 61% | 0.608 | 25% | 0.246 | S | C | * | . | trans | 72.7 | 15.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q501 P507 | Q501-G505 WeakPolarHBondContact O-CA 3.1Å; Q501-G505 PolarHBondContact O-N 3.22Å; G505-P507 WeakPolarHBondContact O-CD 3.27Å | ||
| 506 | I | 85.1 | Confident | 90.2 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | trans | -90.8 | 118.5 | -175.2 | -56.6 | 164.1 | 0 | 0 | 0 | 109.1 | I500 Q501 E504 Q510 Q511 L539 L541 | I500-I506 HydrophobicContact CG2-CD1 4.44Å; Q501-I506 VanDerWaalsContact CA-O 3.29Å; Q501-I506 WeakPolarHBondContact CA-O 3.39Å; Q501-I506 WeakPolarHBondContact CB-O 3.25Å; E504-I506 VanDerWaalsContact C-N 3.27Å; E504-I506 HydrophobicContact CB-CD1 3.74Å; E504-I506 HydrophobicContact CB-CG1 4Å; E504-I506 PolarHBondContact O-N 2.88Å; I506-Q510 HydrophobicContact CG2-CB 4.42Å; I506-Q511 HydrophobicContact CB-CG 4.33Å; I506-Q511 HydrophobicContact CG2-CG 3.64Å; I506-Q511 PolarHBondContact O-NE2 2.92Å; I506-L539 HydrophobicContact CD1-CD2 3.89Å; I506-L541 HydrophobicContact CD1-CD2 4.2Å; I506-L541 HydrophobicContact CG2-CD2 3.49Å; I506-L541 VanDerWaalsContact CG2-CD2 3.49Å | ||
| 507 | P | 83.4 | Confident | 89.9 | Confident | 24 Ų | 24 | 50.9 Ų | 50.9 | 16% | 0.156 | 30% | 0.301 | C | S | . | . | trans | -58.6 | 138.3 | 178.6 | -27.9 | 37.8 | 0 | 0 | 0 | 113.8 | G505 D509 Q510 Q511 | G505-P507 WeakPolarHBondContact O-CD 3.27Å; P507-D509 VanDerWaalsContact C-N 3.27Å; P507-D509 WeakPolarHBondContact CB-OD1 3.46Å; P507-D509 PolarHBondContact O-N 3.47Å; P507-Q510 HydrophobicContact CB-CG 4.35Å; P507-Q510 WeakPolarHBondContact O-CB 3.25Å; P507-Q510 PolarHBondContact O-N 2.92Å; P507-Q511 WeakPolarHBondContact O-CG 3.39Å; P507-Q511 PolarHBondContact O-N 3.35Å | ||
| 508 | P | 87.8 | Confident | 89.9 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 16% | 0.156 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -32.1 | -176.8 | -30.9 | 38 | 0 | 0 | 0 | 115.7 | K497 Q501 Q510 Q511 E564 | K497-P508 HydrophobicContact CB-CB 3.84Å; K497-P508 HydrophobicContact CB-CG 4.35Å; K497-P508 HydrophobicContact CD-CB 4.23Å; K497-P508 WeakPolarHBondContact CD-O 3.32Å; K497-P508 PolarHBondContact NZ-O 3.09Å; Q501-P508 HydrophobicContact CB-CG 4.46Å; Q501-P508 VanDerWaalsContact CD-CD 3.5Å; P508-Q510 VanDerWaalsContact C-N 3.3Å; P508-Q510 PolarHBondContact O-N 2.92Å; P508-Q511 PolarHBondContact O-N 2.93Å; P508-E564 WeakPolarHBondContact CD-OE1 3.23Å |
| 509 | D | 83.5 | Confident | 90.1 | Very high | 79 Ų | 79 | 59.1 Ų | 59.1 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -29.4 | 177.9 | 66.6 | -34.5 | 0 | 0 | 0 | 112.5 | P507 Q511 | P507-D509 VanDerWaalsContact C-N 3.27Å; P507-D509 WeakPolarHBondContact CB-OD1 3.46Å; P507-D509 PolarHBondContact O-N 3.47Å; D509-Q511 VanDerWaalsContact C-N 3.34Å |
| 510 | Q | 86.2 | Confident | 90.3 | Very high | 30 Ų | 30 | 56.8 Ų | 56.8 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -14.8 | 173.4 | -62.4 | -177.4 | 8 | 0 | 0 | 113 | I506 P507 P508 L541 R542 E562 | I506-Q510 HydrophobicContact CG2-CB 4.42Å; P507-Q510 HydrophobicContact CB-CG 4.35Å; P507-Q510 WeakPolarHBondContact O-CB 3.25Å; P507-Q510 PolarHBondContact O-N 2.92Å; P508-Q510 VanDerWaalsContact C-N 3.3Å; P508-Q510 PolarHBondContact O-N 2.92Å; Q510-L541 CarbonylContact O-C 3.55Å; Q510-L541 WeakPolarHBondContact O-CA 3.34Å; Q510-R542 PolarHBondContact O-N 3.39Å; Q510-E562 PolarHBondContact NE2-OE2 2.91Å |
| 511 | Q | 91.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.5 | -178.6 | -62.3 | 179.2 | 34.5 | 0 | 0 | 111.8 | K497 I500 I506 P507 P508 D509 L539 | K497-Q511 HydrophobicContact CD-CB 4.32Å; K497-Q511 WeakPolarHBondContact CE-O 3.16Å; K497-Q511 HydrophobicContact CG-CB 4.06Å; K497-Q511 PolarHBondContact NZ-O 3.3Å; K497-Q511 PolarHBondContact O-NE2 3.01Å; K497-Q511 PolarHBondContact O-OE1 3.19Å; I500-Q511 VanDerWaalsContact CD1-OE1 3.3Å; I506-Q511 HydrophobicContact CB-CG 4.33Å; I506-Q511 HydrophobicContact CG2-CG 3.64Å; I506-Q511 PolarHBondContact O-NE2 2.92Å; P507-Q511 WeakPolarHBondContact O-CG 3.39Å; P507-Q511 PolarHBondContact O-N 3.35Å; P508-Q511 PolarHBondContact O-N 2.93Å; D509-Q511 VanDerWaalsContact C-N 3.34Å; Q511-L539 HydrophobicContact CB-CD1 3.76Å; Q511-L539 HydrophobicContact CG-CD1 3.95Å |
| 512 | R | 93.6 | Very high | 90.5 | Very high | 103 Ų | 103 | 62.6 Ų | 62.6 | 39% | 0.389 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 108.6 | 166.7 | -165.2 | -176.1 | -161.3 | -172.8 | 2.7 | 109.3 | Q519 V540 R542 | R512-Q519 HydrophobicContact CG-CG 3.99Å; R512-V540 WeakPolarHBondContact CA-O 3.12Å; R512-V540 HydrophobicContact CB-CB 4.33Å; R512-V540 WeakPolarHBondContact CB-O 3.4Å; R512-V540 PolarHBondContact N-O 3.01Å; R512-V540 PolarHBondContact O-N 3.47Å; R512-R542 HydrophobicContact CB-CG 4.26Å |
| 513 | L | 96.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 136.9 | 177.5 | -64.9 | 175.9 | 0 | 0 | 0 | 111.1 | V475 I493 V496 K497 I500 L520 L537 H538 L539 | V475-L513 HydrophobicContact CG1-CD2 4.09Å; I493-L513 HydrophobicContact CG2-CD1 4.27Å; V496-L513 HydrophobicContact CB-CD1 4.44Å; V496-L513 HydrophobicContact CG1-CD1 3.84Å; K497-L513 HydrophobicContact CG-CD1 3.9Å; K497-L513 HydrophobicContact CG-CG 4.48Å; I500-L513 HydrophobicContact CD1-CD1 3.99Å; I500-L513 HydrophobicContact CD1-CD2 3.66Å; I500-L513 HydrophobicContact CD1-CG 4.33Å; L513-L520 HydrophobicContact CB-CB 4.28Å; L513-L520 HydrophobicContact CB-CD1 4Å; L513-L520 HydrophobicContact CB-CG 4.33Å; L513-L520 PolarHBondContact O-N 2.9Å; L513-L537 HydrophobicContact CD1-CD2 4.42Å; L513-H538 WeakPolarHBondContact CA-O 3.43Å; L513-L539 HydrophobicContact CD2-CB 4.17Å; L513-L539 HydrophobicContact CD2-CD1 3.9Å |
| 514 | I | 96.2 | Very high | 91.2 | Very high | 44 Ų | 44 | 59.7 Ų | 59.7 | 23% | 0.226 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 132.7 | -178.4 | -58.5 | 168.4 | 0 | 0 | 0 | 109.1 | K518 L537 H538 V540 | I514-K518 CarbonylContact C-O 3.46Å; I514-K518 VanDerWaalsContact CA-O 3.28Å; I514-K518 WeakPolarHBondContact CA-O 3.49Å; I514-L537 CarbonylContact O-C 3.47Å; I514-L537 WeakPolarHBondContact O-CA 3.42Å; I514-H538 HydrophobicContact CB-CB 4.33Å; I514-H538 PolarHBondContact N-O 2.95Å; I514-H538 PolarHBondContact O-N 2.98Å; I514-V540 HydrophobicContact CD1-CG2 3.86Å |
| 515 | F | 97.2 | Very high | 91.6 | Very high | 41 Ų | 41 | 57.9 Ų | 57.9 | 18% | 0.18 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 136.3 | 173.2 | -176.9 | -112.9 | 0 | 0 | 0 | 109.9 | G517 K518 L520 I531 T536 L537 | F515-G517 PolarHBondContact O-N 3Å; F515-G517 VanDerWaalsContact O-N 3.1Å; F515-K518 PolarHBondContact N-O 2.92Å; F515-K518 PolarHBondContact O-N 3.38Å; F515-L520 HydrophobicContact CB-CD1 4.15Å; F515-L520 HydrophobicContact CB-CD2 3.96Å; F515-L520 HydrophobicContact CB-CG 4.35Å; F515-I531 HydrophobicContact CB-CD1 4.33Å; F515-I531 HydrophobicContact CD1-CD1 4.1Å; F515-I531 HydrophobicContact CD1-CG1 3.49Å; F515-I531 VanDerWaalsContact CD1-CG1 3.49Å; F515-I531 HydrophobicContact CD2-CG1 4.36Å; F515-I531 HydrophobicContact CE1-CG1 3.59Å; F515-I531 HydrophobicContact CE2-CG1 4.45Å; F515-I531 HydrophobicContact CG-CD1 4.16Å; F515-I531 HydrophobicContact CG-CG1 3.9Å; F515-I531 HydrophobicContact CZ-CG1 4.09Å; F515-T536 WeakPolarHBondContact CD2-O 3.47Å; F515-L537 HydrophobicContact CB-CG 4.3Å; F515-L537 HydrophobicContact CD2-CD1 4.24Å; F515-L537 HydrophobicContact CD2-CG 4.36Å |
| 516 | A | 93.9 | Very high | 92.2 | Very high | 90 Ų | 90 | 55.1 Ų | 55.1 | 74% | 0.744 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 41.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K518 | A516-K518 PolarHBondContact O-N 2.69Š|
| 517 | G | 90.6 | Very high | 92.7 | Very high | 78 Ų | 78 | 57 Ų | 57 | 80% | 0.804 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | -2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | F515 | F515-G517 PolarHBondContact O-N 3Å; F515-G517 VanDerWaalsContact O-N 3.1Å |
| 518 | K | 94 | Very high | 93.3 | Very high | 141 Ų | 141 | 60.2 Ų | 60.2 | 61% | 0.613 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 138.2 | 178.1 | -67 | -175.7 | 179.9 | 179.4 | 0 | 111.3 | I514 F515 A516 | I514-K518 CarbonylContact C-O 3.46Å; I514-K518 VanDerWaalsContact CA-O 3.28Å; I514-K518 WeakPolarHBondContact CA-O 3.49Å; F515-K518 PolarHBondContact N-O 2.92Å; F515-K518 PolarHBondContact O-N 3.38Å; A516-K518 PolarHBondContact O-N 2.69Å |
| 519 | Q | 94.3 | Very high | 93.7 | Very high | 78 Ų | 78 | 61 Ų | 61 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 137 | 166.5 | -176.5 | -171.4 | -37.5 | 0 | 0 | 109.3 | R512 R542 | R512-Q519 HydrophobicContact CG-CG 3.99Å; Q519-R542 VanDerWaalsContact NE2-NH2 3.19Å |
| 520 | L | 96.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 140 | 178.4 | -54.6 | -175 | 0 | 0 | 0 | 111.2 | I493 L513 F515 Y529 I531 L537 | I493-L520 HydrophobicContact CD1-CB 3.9Å; I493-L520 HydrophobicContact CD1-CD1 3.63Å; I493-L520 HydrophobicContact CD1-CG 4.29Å; I493-L520 HydrophobicContact CG1-CB 3.9Å; I493-L520 HydrophobicContact CG2-CB 3.86Å; L513-L520 HydrophobicContact CB-CB 4.28Å; L513-L520 HydrophobicContact CB-CD1 4Å; L513-L520 HydrophobicContact CB-CG 4.33Å; L513-L520 PolarHBondContact O-N 2.9Å; F515-L520 HydrophobicContact CB-CD1 4.15Å; F515-L520 HydrophobicContact CB-CD2 3.96Å; F515-L520 HydrophobicContact CB-CG 4.35Å; L520-Y529 HydrophobicContact CB-CE2 4.26Å; L520-Y529 HydrophobicContact CD2-CD1 3.66Å; L520-Y529 HydrophobicContact CD2-CD2 3.68Å; L520-Y529 HydrophobicContact CD2-CE1 3.76Å; L520-Y529 HydrophobicContact CD2-CE2 3.74Å; L520-Y529 HydrophobicContact CD2-CG 3.62Å; L520-I531 HydrophobicContact CD1-CD1 3.93Å; L520-L537 HydrophobicContact CD1-CD2 3.49Å; L520-L537 VanDerWaalsContact CD1-CD2 3.49Å; L520-L537 HydrophobicContact CD1-CG 4.21Å |
| 521 | E | 94.9 | Very high | 94.7 | Very high | 107 Ų | 107 | 61.2 Ų | 61.2 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 134.2 | -179.3 | -67 | 170.3 | -178.4 | 0 | 0 | 110.8 | I493 G523 R524 Y529 | I493-E521 VanDerWaalsContact CB-O 3.28Å; I493-E521 WeakPolarHBondContact CB-O 3.43Å; I493-E521 VanDerWaalsContact CG1-O 3.28Å; I493-E521 WeakPolarHBondContact CG1-O 3.38Å; E521-G523 VanDerWaalsContact C-N 3.29Å; E521-G523 PolarHBondContact O-N 2.69Å; E521-R524 HydrophobicContact CB-CG 4.34Å; E521-R524 PolarHBondContact O-N 3.04Å; E521-R524 VanDerWaalsContact O-N 3.1Å; E521-R524 IonicContact OE2-CZ 3.92Å; E521-R524 IonicContact OE2-NE 3.92Å; E521-R524 PolarHBondContact OE2-NE 2.71Å; E521-R524 VanDerWaalsContact OE2-NE 3.1Å; E521-R524 IonicContact OE2-NH2 2.74Å; E521-Y529 WeakPolarHBondContact CB-OH 3.49Å; E521-Y529 PolarHBondContact N-OH 2.7Å |
| 522 | D | 91.1 | Very high | 94.8 | Very high | 68 Ų | 68 | 66.5 Ų | 66.5 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -37.9 | -171.4 | -68.9 | -20 | 0 | 0 | 0 | 113.8 | I493 E494 K497 R524 | I493-D522 PolarHBondContact N-O 3.43Å; E494-D522 HydrophobicContact CB-CB 4.22Å; E494-D522 PolarHBondContact N-O 3.35Å; K497-D522 WeakPolarHBondContact CD-OD1 3.43Å; K497-D522 WeakPolarHBondContact CE-OD1 3.35Å; K497-D522 IonicContact NZ-OD1 2.74Å; K497-D522 PolarHBondContact NZ-OD1 2.98Å; K497-D522 IonicContact NZ-OD2 2.62Å; K497-D522 PolarHBondContact NZ-OD2 3.22Å; D522-R524 VanDerWaalsContact C-N 3.33Å; D522-R524 PolarHBondContact O-N 2.76Å |
| 523 | G | 91.3 | Very high | 94.8 | Very high | 75 Ų | 75 | 67.7 Ų | 67.7 | 77% | 0.773 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 3.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | E521 | E521-G523 VanDerWaalsContact C-N 3.29Å; E521-G523 PolarHBondContact O-N 2.69Å |
| 524 | R | 95.5 | Very high | 94.7 | Very high | 116 Ų | 116 | 73.7 Ų | 73.7 | 44% | 0.438 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -103.2 | 159.1 | 176.2 | -68.9 | -157.9 | -172.7 | -126.4 | -1.2 | 111.5 | T492 I493 E521 D522 D528 Y529 | T492-R524 CarbonylContact C-O 3.47Å; T492-R524 VanDerWaalsContact CA-O 3.24Å; T492-R524 WeakPolarHBondContact CA-O 3.49Å; I493-R524 WeakPolarHBondContact CG1-O 3.49Å; I493-R524 PolarHBondContact N-O 3.24Å; E521-R524 HydrophobicContact CB-CG 4.34Å; E521-R524 PolarHBondContact O-N 3.04Å; E521-R524 VanDerWaalsContact O-N 3.1Å; E521-R524 IonicContact OE2-CZ 3.92Å; E521-R524 IonicContact OE2-NE 3.92Å; E521-R524 PolarHBondContact OE2-NE 2.71Å; E521-R524 VanDerWaalsContact OE2-NE 3.1Å; E521-R524 IonicContact OE2-NH2 2.74Å; D522-R524 VanDerWaalsContact C-N 3.33Å; D522-R524 PolarHBondContact O-N 2.76Å; R524-D528 HydrophobicContact CB-CB 4.3Å; R524-Y529 HydrophobicContact CB-CD2 4.28Å; R524-Y529 HydrophobicContact CB-CE2 3.6Å; R524-Y529 HydrophobicContact CG-CE2 4.3Å |
| 525 | T | 96.2 | Very high | 94.8 | Very high | 28 Ų | 28 | 72.5 Ų | 72.5 | 17% | 0.172 | 40% | 0.404 | C | S | . | . | B | Isolated β-bridge | trans | -92.6 | 166.4 | 178.1 | 67.8 | 0 | 0 | 0 | 0 | 112.5 | S490 D491 S527 D528 | S490-T525 WeakPolarHBondContact O-CG2 3.5Å; D491-T525 CarbonylContact O-C 3.58Å; D491-T525 WeakPolarHBondContact O-CA 3.21Å; T525-S527 VanDerWaalsContact C-N 3.26Å; T525-S527 PolarHBondContact O-N 2.88Å; T525-S527 PolarHBondContact OG1-N 2.8Å; T525-S527 PolarHBondContact OG1-OG 3.42Å; T525-D528 PolarHBondContact N-OD2 3.22Å; T525-D528 PolarHBondContact O-N 3.45Å; T525-D528 PolarHBondContact OG1-N 2.88Å; T525-D528 PolarHBondContact OG1-OD2 3.25Å |
| 526 | L | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -39.1 | 169.5 | -68.7 | -177.8 | 0 | 0 | 0 | 112.1 | I473 V487 D491 I493 V496 D528 Y529 N530 I531 | I473-L526 HydrophobicContact CD1-CD1 4.2Å; I473-L526 HydrophobicContact CD1-CD2 4.25Å; V487-L526 HydrophobicContact CB-CD1 3.56Å; V487-L526 HydrophobicContact CG1-CD1 4.07Å; V487-L526 HydrophobicContact CG2-CD1 3.49Å; V487-L526 VanDerWaalsContact CG2-CD1 3.49Å; D491-L526 HydrophobicContact CB-CD1 4.27Å; D491-L526 HydrophobicContact CB-CG 4.48Å; D491-L526 PolarHBondContact O-N 3.01Å; I493-L526 HydrophobicContact CD1-CD2 4.02Å; V496-L526 HydrophobicContact CG2-CD1 4.17Å; V496-L526 HydrophobicContact CG2-CD2 3.97Å; V496-L526 HydrophobicContact CG2-CG 4.13Å; L526-D528 PolarHBondContact O-N 2.82Å; L526-Y529 PolarHBondContact O-N 3.23Å; L526-N530 PolarHBondContact O-N 3.25Å; L526-I531 HydrophobicContact CB-CB 4.23Å; L526-I531 HydrophobicContact CD2-CB 4.19Å; L526-I531 HydrophobicContact CD2-CD1 3.57Å; L526-I531 HydrophobicContact CD2-CG1 4.46Å; L526-I531 HydrophobicContact CD2-CG2 4.12Å; L526-I531 WeakPolarHBondContact O-CB 3.49Å; L526-I531 PolarHBondContact O-N 2.87Å |
| 527 | S | 95.5 | Very high | 94.9 | Very high | 66 Ų | 66 | 68.7 Ų | 68.7 | 46% | 0.462 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -64 | -36.2 | 178.3 | 78.4 | 0 | 0 | 0 | 0 | 113 | P489 T525 Y529 N530 | P489-S527 WeakPolarHBondContact O-CB 3.42Å; P489-S527 PolarHBondContact O-N 3.29Å; T525-S527 VanDerWaalsContact C-N 3.26Å; T525-S527 PolarHBondContact O-N 2.88Å; T525-S527 PolarHBondContact OG1-N 2.8Å; T525-S527 PolarHBondContact OG1-OG 3.42Å; S527-Y529 PolarHBondContact O-N 3.44Å; S527-N530 WeakPolarHBondContact O-CA 3.42Å; S527-N530 PolarHBondContact O-N 3.36Å |
| 528 | D | 95.9 | Very high | 95.2 | Very high | 92 Ų | 92 | 69.6 Ų | 69.6 | 49% | 0.492 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -61.6 | -30.5 | 178.4 | -67.3 | -45.4 | 0 | 0 | 0 | 112.5 | R524 T525 L526 | R524-D528 HydrophobicContact CB-CB 4.3Å; T525-D528 PolarHBondContact N-OD2 3.22Å; T525-D528 PolarHBondContact O-N 3.45Å; T525-D528 PolarHBondContact OG1-N 2.88Å; T525-D528 PolarHBondContact OG1-OD2 3.25Å; L526-D528 PolarHBondContact O-N 2.82Å |
| 529 | Y | 96.2 | Very high | 95.3 | Very high | 40 Ų | 40 | 63.1 Ų | 63.1 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -93.7 | 3.9 | 175.4 | -71.7 | -74.1 | 0 | 0 | 0 | 113.5 | I493 L520 E521 R524 L526 S527 I531 | I493-Y529 HydrophobicContact CD1-CD2 4.46Å; I493-Y529 HydrophobicContact CG1-CE2 4.23Å; L520-Y529 HydrophobicContact CB-CE2 4.26Å; L520-Y529 HydrophobicContact CD2-CD1 3.66Å; L520-Y529 HydrophobicContact CD2-CD2 3.68Å; L520-Y529 HydrophobicContact CD2-CE1 3.76Å; L520-Y529 HydrophobicContact CD2-CE2 3.74Å; L520-Y529 HydrophobicContact CD2-CG 3.62Å; E521-Y529 WeakPolarHBondContact CB-OH 3.49Å; E521-Y529 PolarHBondContact N-OH 2.7Å; R524-Y529 HydrophobicContact CB-CD2 4.28Å; R524-Y529 HydrophobicContact CB-CE2 3.6Å; R524-Y529 HydrophobicContact CG-CE2 4.3Å; L526-Y529 PolarHBondContact O-N 3.23Å; S527-Y529 PolarHBondContact O-N 3.44Å; Y529-I531 PolarHBondContact O-N 2.78Å |
| 530 | N | 95.6 | Very high | 95.1 | Very high | 110 Ų | 110 | 61.3 Ų | 61.3 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 38.2 | -175.2 | -163.1 | 25.5 | 0 | 0 | 0 | 112.3 | L526 S527 Q532 | L526-N530 PolarHBondContact O-N 3.25Å; S527-N530 WeakPolarHBondContact O-CA 3.42Å; S527-N530 PolarHBondContact O-N 3.36Å; N530-Q532 PolarHBondContact O-N 3.39Å; N530-Q532 PolarHBondContact OD1-NE2 3.03Å |
| 531 | I | 95.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.015 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 120.6 | 174.7 | -66.4 | 168.4 | 0 | 0 | 0 | 107.1 | M471 I473 F515 L520 L526 Y529 L537 | M471-I531 HydrophobicContact CE-CG2 4.39Å; M471-I531 WeakPolarHBondContact CE-O 3.44Å; I473-I531 HydrophobicContact CG2-CG2 3.88Å; F515-I531 HydrophobicContact CB-CD1 4.33Å; F515-I531 HydrophobicContact CD1-CD1 4.1Å; F515-I531 HydrophobicContact CD1-CG1 3.49Å; F515-I531 VanDerWaalsContact CD1-CG1 3.49Å; F515-I531 HydrophobicContact CD2-CG1 4.36Å; F515-I531 HydrophobicContact CE1-CG1 3.59Å; F515-I531 HydrophobicContact CE2-CG1 4.45Å; F515-I531 HydrophobicContact CG-CD1 4.16Å; F515-I531 HydrophobicContact CG-CG1 3.9Å; F515-I531 HydrophobicContact CZ-CG1 4.09Å; L520-I531 HydrophobicContact CD1-CD1 3.93Å; L526-I531 HydrophobicContact CB-CB 4.23Å; L526-I531 HydrophobicContact CD2-CB 4.19Å; L526-I531 HydrophobicContact CD2-CD1 3.57Å; L526-I531 HydrophobicContact CD2-CG1 4.46Å; L526-I531 HydrophobicContact CD2-CG2 4.12Å; L526-I531 WeakPolarHBondContact O-CB 3.49Å; L526-I531 PolarHBondContact O-N 2.87Å; Y529-I531 PolarHBondContact O-N 2.78Å; I531-L537 HydrophobicContact CD1-CD1 4.31Å; I531-L537 HydrophobicContact CD1-CD2 4.32Å; I531-L537 HydrophobicContact CD1-CG 4.48Å; I531-L537 HydrophobicContact CG2-CD1 4.06Å |
| 532 | Q | 94.7 | Very high | 93.9 | Very high | 111 Ų | 111 | 65.1 Ų | 65.1 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -103.3 | 168.9 | -176.2 | -64.2 | -63.5 | -28.3 | 0 | 0 | 111.3 | N530 E534 S535 | N530-Q532 PolarHBondContact O-N 3.39Å; N530-Q532 PolarHBondContact OD1-NE2 3.03Å; Q532-E534 PolarHBondContact O-N 3.16Å; Q532-S535 PolarHBondContact N-OG 3.32Å; Q532-S535 WeakPolarHBondContact O-CB 2.86Å; Q532-S535 PolarHBondContact O-N 3.03Å; Q532-S535 PolarHBondContact O-OG 3.41Å |
| 533 | K | 93.5 | Very high | 92.4 | Very high | 128 Ų | 128 | 70.3 Ų | 70.3 | 56% | 0.557 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 137.7 | 170.9 | -173 | 172.3 | 178.7 | 176.4 | 0 | 110.2 | M471 S535 | M471-K533 HydrophobicContact CG-CB 4.07Å; M471-K533 HydrophobicContact CG-CG 4.46Å; K533-S535 PolarHBondContact O-N 3.18Å |
| 534 | E | 94.5 | Very high | 90.7 | Very high | 128 Ų | 128 | 77.2 Ų | 77.2 | 60% | 0.598 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 11.3 | -176.5 | -65.4 | 170.3 | -169.7 | 0 | 0 | 115.6 | Q472 F474 Q532 | Q472-E534 WeakPolarHBondContact O-CA 3.41Å; Q472-E534 PolarHBondContact O-N 3.33Å; F474-E534 WeakPolarHBondContact CD2-O 3.31Å; F474-E534 HydrophobicContact CE2-CB 3.87Å; F474-E534 HydrophobicContact CE2-CG 3.94Å; F474-E534 HydrophobicContact CZ-CG 4.46Å; Q532-E534 PolarHBondContact O-N 3.16Å |
| 535 | S | 97.2 | Very high | 88.9 | Confident | 19 Ų | 19 | 74.7 Ų | 74.7 | 13% | 0.133 | 38% | 0.379 | C | S | . | . | trans | -61.4 | 146 | 172.1 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | F474 Q532 K533 | F474-S535 PolarHBondContact N-O 3.04Å; Q532-S535 PolarHBondContact N-OG 3.32Å; Q532-S535 WeakPolarHBondContact O-CB 2.86Å; Q532-S535 PolarHBondContact O-N 3.03Å; Q532-S535 PolarHBondContact O-OG 3.41Å; K533-S535 PolarHBondContact O-N 3.18Å | ||
| 536 | T | 97.1 | Very high | 87.3 | Confident | 51 Ų | 51 | 73.9 Ų | 73.9 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 116 | 177.1 | -58 | 0 | 0 | 0 | 0 | 111.3 | F474 K476 F515 | F474-T536 HydrophobicContact CB-CG2 4.45Å; F474-T536 CarbonylContact O-C 3.52Å; F474-T536 VanDerWaalsContact O-CA 3.3Å; F474-T536 WeakPolarHBondContact O-CA 3.06Å; K476-T536 HydrophobicContact CB-CG2 4.32Å; K476-T536 HydrophobicContact CD-CG2 3.91Å; K476-T536 HydrophobicContact CG-CG2 3.87Å; F515-T536 WeakPolarHBondContact CD2-O 3.47Å |
| 537 | L | 97.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 153.4 | 169 | -71.2 | 69 | 0 | 0 | 0 | 109.4 | I473 F474 V475 K476 L513 I514 F515 L520 I531 | I473-L537 HydrophobicContact CB-CD1 4.37Å; I473-L537 HydrophobicContact CD1-CD1 3.99Å; I473-L537 HydrophobicContact CD1-CD2 4.34Å; F474-L537 PolarHBondContact O-N 3.43Å; V475-L537 CarbonylContact C-O 3.42Å; V475-L537 WeakPolarHBondContact CA-O 3.5Å; V475-L537 HydrophobicContact CG2-CB 4.37Å; K476-L537 PolarHBondContact N-O 3.18Å; L513-L537 HydrophobicContact CD1-CD2 4.42Å; I514-L537 CarbonylContact O-C 3.47Å; I514-L537 WeakPolarHBondContact O-CA 3.42Å; F515-L537 HydrophobicContact CB-CG 4.3Å; F515-L537 HydrophobicContact CD2-CD1 4.24Å; F515-L537 HydrophobicContact CD2-CG 4.36Å; L520-L537 HydrophobicContact CD1-CD2 3.49Å; L520-L537 VanDerWaalsContact CD1-CD2 3.49Å; L520-L537 HydrophobicContact CD1-CG 4.21Å; I531-L537 HydrophobicContact CD1-CD1 4.31Å; I531-L537 HydrophobicContact CD1-CD2 4.32Å; I531-L537 HydrophobicContact CD1-CG 4.48Å; I531-L537 HydrophobicContact CG2-CD1 4.06Å |
| 538 | H | 96.9 | Very high | 85.3 | Confident | 97 Ų | 97 | 79.8 Ų | 79.8 | 45% | 0.449 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.1 | 172.6 | -66.7 | 73.6 | 0 | 0 | 0 | 109.7 | K476 L513 I514 | K476-H538 WeakPolarHBondContact O-CA 3.42Å; L513-H538 WeakPolarHBondContact CA-O 3.43Å; I514-H538 HydrophobicContact CB-CB 4.33Å; I514-H538 PolarHBondContact N-O 2.95Å; I514-H538 PolarHBondContact O-N 2.98Å |
| 539 | L | 95 | Very high | 84.5 | Confident | 4 Ų | 4 | 76.4 Ų | 76.4 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120 | 174.2 | 175.9 | 62.7 | 0 | 0 | 0 | 110 | V475 K476 T477 I500 I506 Q511 L513 L541 | V475-L539 HydrophobicContact CG1-CB 3.55Å; V475-L539 HydrophobicContact CG1-CD2 4.43Å; K476-L539 PolarHBondContact O-N 3.33Å; T477-L539 HydrophobicContact CG2-CD2 4.48Å; I500-L539 HydrophobicContact CG2-CD2 4Å; I506-L539 HydrophobicContact CD1-CD2 3.89Å; Q511-L539 HydrophobicContact CB-CD1 3.76Å; Q511-L539 HydrophobicContact CG-CD1 3.95Å; L513-L539 HydrophobicContact CD2-CB 4.17Å; L513-L539 HydrophobicContact CD2-CD1 3.9Å; L539-L541 HydrophobicContact CD1-CD2 4.49Å; L539-L541 HydrophobicContact CD2-CD2 4.45Å; L539-L541 HydrophobicContact CG-CD2 4.38Å |
| 540 | V | 91.2 | Very high | 83.9 | Confident | 40 Ų | 40 | 79.9 Ų | 79.9 | 24% | 0.242 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.7 | 170.9 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | L478 R512 I514 | L478-V540 HydrophobicContact CD1-CG1 4.21Å; L478-V540 HydrophobicContact CD1-CG2 4.46Å; L478-V540 HydrophobicContact CD2-CG2 4.16Å; L478-V540 HydrophobicContact CG-CG2 4.37Å; R512-V540 WeakPolarHBondContact CA-O 3.12Å; R512-V540 HydrophobicContact CB-CB 4.33Å; R512-V540 WeakPolarHBondContact CB-O 3.4Å; R512-V540 PolarHBondContact N-O 3.01Å; R512-V540 PolarHBondContact O-N 3.47Å; I514-V540 HydrophobicContact CD1-CG2 3.86Å |
| 541 | L | 86.3 | Confident | 83.2 | Confident | 86 Ų | 86 | 75.6 Ų | 75.6 | 45% | 0.45 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 133.6 | 176.6 | -60.2 | -178.6 | 0 | 0 | 0 | 110.3 | I506 Q510 L539 | I506-L541 HydrophobicContact CD1-CD2 4.2Å; I506-L541 HydrophobicContact CG2-CD2 3.49Å; I506-L541 VanDerWaalsContact CG2-CD2 3.49Å; Q510-L541 CarbonylContact O-C 3.55Å; Q510-L541 WeakPolarHBondContact O-CA 3.34Å; L539-L541 HydrophobicContact CD1-CD2 4.49Å; L539-L541 HydrophobicContact CD2-CD2 4.45Å; L539-L541 HydrophobicContact CG-CD2 4.38Å |
| 542 | R | 79.1 | Confident | 82.4 | Confident | 105 Ų | 105 | 83 Ų | 83 | 40% | 0.396 | 41% | 0.406 | S | S | . | . | trans | -82.2 | 123.8 | 169.8 | -69.9 | 176.1 | 164.1 | 166.8 | -3.1 | 108.6 | Q510 R512 Q519 R544 | Q510-R542 PolarHBondContact O-N 3.39Å; R512-R542 HydrophobicContact CB-CG 4.26Å; Q519-R542 VanDerWaalsContact NE2-NH2 3.19Å; R542-R544 PolarHBondContact O-N 3.3Å; R542-R544 VanDerWaalsContact O-N 3.11Å | ||
| 543 | L | 60.3 | Low | 81.6 | Confident | 177 Ų | 177 | 79.5 Ų | 79.5 | 93% | 0.927 | 39% | 0.392 | S | S | * | . | trans | -79.4 | 24.4 | -178.4 | -67.6 | 171.8 | 0 | 0 | 0 | 114.4 | ||||
| 544 | R | 55.3 | Low | 80.7 | Confident | 221 Ų | 221 | 82.5 Ų | 82.5 | 83% | 0.834 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -104.1 | 115.3 | 175.9 | -73.6 | -170.2 | -178.3 | 178.1 | 0.9 | 108.6 | R542 G546 | R542-R544 PolarHBondContact O-N 3.3Å; R542-R544 VanDerWaalsContact O-N 3.11Å; R544-G546 PolarHBondContact O-N 3.31Å |
| 545 | G | 57.5 | Low | 79.8 | Confident | 62 Ų | 62 | 82.5 Ų | 82.5 | 64% | 0.639 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 131.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 546 | G | 62.4 | Low | 78.7 | Confident | 12 Ų | 12 | 84 Ų | 84 | 12% | 0.124 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 170.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | R544 Q548 E562 | R544-G546 PolarHBondContact O-N 3.31Å; G546-Q548 PolarHBondContact O-N 2.98Å; G546-Q548 VanDerWaalsContact O-N 3.13Å; G546-E562 PolarHBondContact N-OE1 2.88Å |
| 547 | M | 73 | Confident | 77.9 | Confident | 104 Ų | 104 | 86.5 Ų | 86.5 | 51% | 0.512 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 123.2 | 173.9 | 176.7 | 178.4 | -178.3 | 0 | 0 | 109 | E562 V563 P565 | M547-E562 CarbonylContact O-C 3.6Å; M547-E562 WeakPolarHBondContact O-CA 3.34Å; M547-V563 WeakPolarHBondContact CB-O 3.34Å; M547-V563 HydrophobicContact CG-CG2 4.04Å; M547-V563 PolarHBondContact O-N 2.85Å; M547-V563 VanDerWaalsContact O-O 3.09Å; M547-V563 HydrophobicContact SD-CG2 4.48Å; M547-P565 HydrophobicContact SD-CG 4.49Å |
| 548 | Q | 76.5 | Confident | 77.1 | Confident | 85 Ų | 85 | 89.6 Ų | 89.6 | 40% | 0.397 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 137.2 | -177.9 | -79.6 | 172 | 22.4 | 0 | 0 | 110.3 | G546 T560 L561 E562 | G546-Q548 PolarHBondContact O-N 2.98Å; G546-Q548 VanDerWaalsContact O-N 3.13Å; Q548-T560 HydrophobicContact CB-CG2 4.02Å; Q548-T560 HydrophobicContact CG-CG2 3.89Å; Q548-L561 CarbonylContact C-O 3.57Å; Q548-L561 VanDerWaalsContact CA-O 3.23Å; Q548-L561 WeakPolarHBondContact CA-O 3.32Å; Q548-E562 HydrophobicContact CG-CG 3.82Å; Q548-E562 PolarHBondContact NE2-OE1 2.71Å |
| 549 | I | 80.5 | Confident | 76.3 | Confident | 21 Ų | 21 | 85.3 Ų | 85.3 | 11% | 0.108 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 146.4 | 165.1 | 62.1 | 171.1 | 0 | 0 | 0 | 109.6 | L561 V563 V572 M602 | I549-L561 HydrophobicContact CD1-CD1 4.16Å; I549-L561 HydrophobicContact CG1-CB 3.86Å; I549-L561 HydrophobicContact CG1-CD1 4.25Å; I549-L561 PolarHBondContact N-O 2.82Å; I549-L561 PolarHBondContact O-N 3.14Å; I549-V563 HydrophobicContact CB-CG2 4.37Å; I549-V563 HydrophobicContact CD1-CG1 3.66Å; I549-V563 HydrophobicContact CD1-CG2 4.47Å; I549-V563 HydrophobicContact CG1-CG1 3.72Å; I549-V563 HydrophobicContact CG1-CG2 4.1Å; I549-V563 HydrophobicContact CG2-CG2 3.63Å; I549-V572 HydrophobicContact CD1-CG1 3.72Å; I549-V572 HydrophobicContact CD1-CG2 4.06Å; I549-M602 HydrophobicContact CD1-SD 4.37Å |
| 550 | F | 81.9 | Confident | 75.7 | Confident | 114 Ų | 114 | 87.5 Ų | 87.5 | 50% | 0.5 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 117.2 | 178.9 | -60.1 | -85.5 | 0 | 0 | 0 | 109.3 | T558 I559 T560 | F550-T558 HydrophobicContact CB-CG2 3.9Å; F550-T558 HydrophobicContact CD1-CG2 3.98Å; F550-T558 HydrophobicContact CG-CG2 4.39Å; F550-I559 CarbonylContact C-O 3.58Å; F550-I559 WeakPolarHBondContact CA-O 3.29Å; F550-T560 HydrophobicContact CD1-CG2 4.04Å; F550-T560 WeakPolarHBondContact CD1-OG1 3.4Å; F550-T560 HydrophobicContact CE1-CG2 3.63Å; F550-T560 WeakPolarHBondContact CE1-OG1 3.34Å; F550-T560 HydrophobicContact CZ-CG2 4.24Å |
| 551 | V | 81.7 | Confident | 75.2 | Confident | 19 Ų | 19 | 85.7 Ų | 85.7 | 12% | 0.115 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 111.7 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | I559 L561 I576 L589 | V551-I559 HydrophobicContact CB-CB 4.41Å; V551-I559 PolarHBondContact N-O 2.91Å; V551-I559 PolarHBondContact O-N 3.25Å; V551-L561 HydrophobicContact CB-CD1 4.49Å; V551-L561 HydrophobicContact CG2-CD1 3.52Å; V551-L561 HydrophobicContact CG2-CG 4.36Å; V551-I576 HydrophobicContact CG1-CD1 4.14Å; V551-I576 HydrophobicContact CG2-CD1 4.15Å; V551-L589 HydrophobicContact CG1-CD2 4.12Å |
| 552 | K | 77.6 | Confident | 74.7 | Confident | 158 Ų | 158 | 84.5 Ų | 84.5 | 69% | 0.687 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 125.8 | 170.8 | -90.7 | -177.8 | 175.4 | -179.9 | 0 | 110.3 | K557 T558 | K552-K557 WeakPolarHBondContact CA-O 3.39Å; K552-T558 WeakPolarHBondContact CE-OG1 3.23Å; K552-T558 HydrophobicContact CG-CG2 4.33Å; K552-T558 WeakPolarHBondContact CG-OG1 3.41Å |
| 553 | T | 78.1 | Confident | 74.7 | Confident | 39 Ų | 39 | 80 Ų | 80 | 24% | 0.239 | 43% | 0.426 | C | S | . | . | trans | -77 | 162.4 | 170 | 70.1 | 0 | 0 | 0 | 0 | 110.7 | T555 G556 K557 I559 | T553-T555 PolarHBondContact O-N 3.09Å; T553-T555 VanDerWaalsContact O-N 3.17Å; T553-T555 PolarHBondContact OG1-N 3.49Å; T553-T555 PolarHBondContact OG1-OG1 3.07Å; T553-G556 PolarHBondContact O-N 3.09Å; T553-K557 HydrophobicContact CG2-CB 4.46Å; T553-K557 PolarHBondContact N-O 3.38Å; T553-K557 WeakPolarHBondContact OG1-CB 3.46Å; T553-K557 PolarHBondContact OG1-N 2.78Å; T553-K557 PolarHBondContact OG1-O 2.85Å; T553-I559 HydrophobicContact CG2-CD1 3.49Å; T553-I559 VanDerWaalsContact CG2-CD1 3.49Å; T553-I559 HydrophobicContact CG2-CG1 4.29Å | ||
| 554 | L | 75 | Confident | 75.3 | Confident | 190 Ų | 190 | 74.1 Ų | 74.1 | 100% | 0.995 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20 | 174.6 | -66.1 | 174.9 | 0 | 0 | 0 | 113.4 | G556 | L554-G556 PolarHBondContact O-N 2.99Š|
| 555 | T | 76 | Confident | 76.1 | Confident | 128 Ų | 128 | 69.5 Ų | 69.5 | 79% | 0.785 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -4.2 | 175.1 | 69 | 0 | 0 | 0 | 0 | 113.2 | T553 | T553-T555 PolarHBondContact O-N 3.09Å; T553-T555 VanDerWaalsContact O-N 3.17Å; T553-T555 PolarHBondContact OG1-N 3.49Å; T553-T555 PolarHBondContact OG1-OG1 3.07Å |
| 556 | G | 73.4 | Confident | 76.9 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 53% | 0.526 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 89.8 | -10.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T553 L554 T558 | T553-G556 PolarHBondContact O-N 3.09Å; L554-G556 PolarHBondContact O-N 2.99Å; G556-T558 PolarHBondContact O-N 3.23Å |
| 557 | K | 80.5 | Confident | 77.6 | Confident | 103 Ų | 103 | 71.3 Ų | 71.3 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | trans | -63.1 | 130.4 | 174 | -177 | -178.8 | 174.3 | -170.4 | 0 | 110.5 | K552 T553 E580 | K552-K557 WeakPolarHBondContact CA-O 3.39Å; T553-K557 HydrophobicContact CG2-CB 4.46Å; T553-K557 PolarHBondContact N-O 3.38Å; T553-K557 WeakPolarHBondContact OG1-CB 3.46Å; T553-K557 PolarHBondContact OG1-N 2.78Å; T553-K557 PolarHBondContact OG1-O 2.85Å; K557-E580 WeakPolarHBondContact CE-OE1 3.29Å; K557-E580 IonicContact NZ-OE1 2.72Å; K557-E580 PolarHBondContact NZ-OE1 2.83Å; K557-E580 IonicContact NZ-OE2 2.66Å; K557-E580 PolarHBondContact NZ-OE2 2.8Å | ||
| 558 | T | 81 | Confident | 78 | Confident | 65 Ų | 65 | 69.6 Ų | 69.6 | 40% | 0.399 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 127.2 | 173.9 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | F550 K552 G556 | F550-T558 HydrophobicContact CB-CG2 3.9Å; F550-T558 HydrophobicContact CD1-CG2 3.98Å; F550-T558 HydrophobicContact CG-CG2 4.39Å; K552-T558 WeakPolarHBondContact CE-OG1 3.23Å; K552-T558 HydrophobicContact CG-CG2 4.33Å; K552-T558 WeakPolarHBondContact CG-OG1 3.41Å; G556-T558 PolarHBondContact O-N 3.23Å |
| 559 | I | 80 | Confident | 78.2 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 120.6 | 176.4 | -56 | 152.4 | 0 | 0 | 0 | 107.2 | F550 V551 T553 L561 K579 E580 | F550-I559 CarbonylContact C-O 3.58Å; F550-I559 WeakPolarHBondContact CA-O 3.29Å; V551-I559 HydrophobicContact CB-CB 4.41Å; V551-I559 PolarHBondContact N-O 2.91Å; V551-I559 PolarHBondContact O-N 3.25Å; T553-I559 HydrophobicContact CG2-CD1 3.49Å; T553-I559 VanDerWaalsContact CG2-CD1 3.49Å; T553-I559 HydrophobicContact CG2-CG1 4.29Å; I559-L561 HydrophobicContact CG2-CD2 3.96Å; I559-L561 HydrophobicContact CG2-CG 4.32Å; I559-K579 HydrophobicContact CG2-CB 4.47Å; I559-K579 HydrophobicContact CG2-CD 4.05Å; I559-E580 HydrophobicContact CD1-CG 3.52Å; I559-E580 HydrophobicContact CG1-CG 4Å |
| 560 | T | 82.7 | Confident | 78.3 | Confident | 49 Ų | 49 | 70.2 Ų | 70.2 | 30% | 0.301 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 127.2 | 173.3 | -49.6 | 0 | 0 | 0 | 0 | 108.9 | Q548 F550 K579 | Q548-T560 HydrophobicContact CB-CG2 4.02Å; Q548-T560 HydrophobicContact CG-CG2 3.89Å; F550-T560 HydrophobicContact CD1-CG2 4.04Å; F550-T560 WeakPolarHBondContact CD1-OG1 3.4Å; F550-T560 HydrophobicContact CE1-CG2 3.63Å; F550-T560 WeakPolarHBondContact CE1-OG1 3.34Å; F550-T560 HydrophobicContact CZ-CG2 4.24Å; T560-K579 PolarHBondContact O-NZ 2.9Å |
| 561 | L | 80.8 | Confident | 78.4 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.6 | 174.9 | -56.6 | 168.1 | 0 | 0 | 0 | 108.7 | Q548 I549 V551 I559 V563 V572 K575 I576 K579 | Q548-L561 CarbonylContact C-O 3.57Å; Q548-L561 VanDerWaalsContact CA-O 3.23Å; Q548-L561 WeakPolarHBondContact CA-O 3.32Å; I549-L561 HydrophobicContact CD1-CD1 4.16Å; I549-L561 HydrophobicContact CG1-CB 3.86Å; I549-L561 HydrophobicContact CG1-CD1 4.25Å; I549-L561 PolarHBondContact N-O 2.82Å; I549-L561 PolarHBondContact O-N 3.14Å; V551-L561 HydrophobicContact CB-CD1 4.49Å; V551-L561 HydrophobicContact CG2-CD1 3.52Å; V551-L561 HydrophobicContact CG2-CG 4.36Å; I559-L561 HydrophobicContact CG2-CD2 3.96Å; I559-L561 HydrophobicContact CG2-CG 4.32Å; L561-V563 HydrophobicContact CB-CG1 4.45Å; L561-V572 HydrophobicContact CD1-CG1 3.95Å; L561-K575 HydrophobicContact CD2-CB 4.15Å; L561-I576 HydrophobicContact CD1-CD1 4.03Å; L561-I576 HydrophobicContact CD1-CG1 3.46Å; L561-I576 VanDerWaalsContact CD1-CG1 3.46Å; L561-I576 HydrophobicContact CD2-CG1 4.22Å; L561-I576 HydrophobicContact CG-CG1 4.41Å; L561-K579 HydrophobicContact CD2-CD 4.04Å |
| 562 | E | 76.3 | Confident | 78.5 | Confident | 61 Ų | 61 | 67.2 Ų | 67.2 | 29% | 0.285 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 132.1 | 166.3 | -59.6 | -146.1 | 141.5 | 0 | 0 | 109.2 | Q510 G546 M547 Q548 K575 | Q510-E562 PolarHBondContact NE2-OE2 2.91Å; G546-E562 PolarHBondContact N-OE1 2.88Å; M547-E562 CarbonylContact O-C 3.6Å; M547-E562 WeakPolarHBondContact O-CA 3.34Å; Q548-E562 HydrophobicContact CG-CG 3.82Å; Q548-E562 PolarHBondContact NE2-OE1 2.71Å; E562-K575 WeakPolarHBondContact O-CD 3.42Å; E562-K575 PolarHBondContact O-NZ 3.21Å |
| 563 | V | 78.7 | Confident | 78.9 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | trans | -135.6 | 158 | -176.1 | -66.6 | 0 | 0 | 0 | 0 | 110.8 | M547 I549 L561 D567 V572 K575 | M547-V563 WeakPolarHBondContact CB-O 3.34Å; M547-V563 HydrophobicContact CG-CG2 4.04Å; M547-V563 PolarHBondContact O-N 2.85Å; M547-V563 VanDerWaalsContact O-O 3.09Å; M547-V563 HydrophobicContact SD-CG2 4.48Å; I549-V563 HydrophobicContact CB-CG2 4.37Å; I549-V563 HydrophobicContact CD1-CG1 3.66Å; I549-V563 HydrophobicContact CD1-CG2 4.47Å; I549-V563 HydrophobicContact CG1-CG1 3.72Å; I549-V563 HydrophobicContact CG1-CG2 4.1Å; I549-V563 HydrophobicContact CG2-CG2 3.63Å; L561-V563 HydrophobicContact CB-CG1 4.45Å; V563-D567 VanDerWaalsContact CA-OD2 3.28Å; V563-D567 WeakPolarHBondContact CA-OD2 3.26Å; V563-V572 HydrophobicContact CG1-CG2 4.15Å; V563-K575 HydrophobicContact CG1-CD 4.48Å | ||
| 564 | E | 71.7 | Confident | 79.2 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 25% | 0.248 | 36% | 0.358 | C | S | . | . | trans | -107.8 | 157.2 | 170.2 | -70.6 | -172.5 | -153 | 0 | 0 | 111.2 | Q501 P508 S566 D567 | Q501-E564 PolarHBondContact NE2-OE1 2.81Å; Q501-E564 VanDerWaalsContact NE2-OE1 3.16Å; P508-E564 WeakPolarHBondContact CD-OE1 3.23Å; E564-S566 PolarHBondContact O-N 2.93Å; E564-D567 PolarHBondContact N-OD2 2.79Å; E564-D567 WeakPolarHBondContact O-CB 3.41Å; E564-D567 PolarHBondContact O-N 2.93Å | ||
| 565 | P | 72.8 | Confident | 79.8 | Confident | 123 Ų | 123 | 56.1 Ų | 56.1 | 80% | 0.799 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -21.9 | 176.4 | -24.7 | 34.3 | 0 | 0 | 0 | 114.3 | M547 | M547-P565 HydrophobicContact SD-CG 4.49Š|
| 566 | S | 74.1 | Confident | 80.2 | Confident | 88 Ų | 88 | 50.3 Ų | 50.3 | 62% | 0.615 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -12.3 | 178.4 | 53.5 | 0 | 0 | 0 | 0 | 114 | E564 T568 | E564-S566 PolarHBondContact O-N 2.93Å; S566-T568 PolarHBondContact O-N 3.49Å |
| 567 | D | 76.4 | Confident | 80.7 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 13% | 0.128 | 28% | 0.278 | C | S | . | . | trans | -62.5 | 134.5 | -175.6 | -89.6 | -33.5 | 0 | 0 | 0 | 111.7 | V563 E564 N571 K575 A599 | V563-D567 VanDerWaalsContact CA-OD2 3.28Å; V563-D567 WeakPolarHBondContact CA-OD2 3.26Å; E564-D567 PolarHBondContact N-OD2 2.79Å; E564-D567 WeakPolarHBondContact O-CB 3.41Å; E564-D567 PolarHBondContact O-N 2.93Å; D567-N571 HydrophobicContact CB-CB 4.11Å; D567-N571 WeakPolarHBondContact OD1-CB 3.48Å; D567-N571 PolarHBondContact OD1-ND2 2.78Å; D567-K575 IonicContact OD1-NZ 2.82Å; D567-K575 IonicContact OD2-NZ 3.41Å; D567-K575 PolarHBondContact OD2-NZ 3.09Å; D567-A599 WeakPolarHBondContact O-CB 3.49Å | ||
| 568 | T | 82.6 | Confident | 80.8 | Confident | 68 Ų | 68 | 52.2 Ų | 52.2 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | trans | -86.7 | 170.4 | 173.1 | 81.7 | 0 | 0 | 0 | 0 | 112 | S566 E570 N571 V572 | S566-T568 PolarHBondContact O-N 3.49Å; T568-E570 PolarHBondContact O-N 3.36Å; T568-E570 PolarHBondContact OG1-N 3.05Å; T568-N571 WeakPolarHBondContact O-CB 3.39Å; T568-N571 PolarHBondContact O-N 3.33Å; T568-N571 VanDerWaalsContact O-N 3.14Å; T568-N571 PolarHBondContact OG1-N 2.91Å; T568-N571 PolarHBondContact OG1-OD1 2.7Å; T568-V572 WeakPolarHBondContact O-CG2 3.32Å; T568-V572 PolarHBondContact O-N 3.17Å | ||
| 569 | I | 81.3 | Confident | 80.9 | Confident | 20 Ų | 20 | 54.9 Ų | 54.9 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.6 | -34.3 | 177.2 | -69.6 | -64.5 | 0 | 0 | 0 | 110.3 | N571 V572 K573 L589 T598 A599 | I569-N571 VanDerWaalsContact C-N 3.35Å; I569-V572 PolarHBondContact O-N 2.78Å; I569-K573 HydrophobicContact CG2-CD 4.47Å; I569-K573 HydrophobicContact CG2-CG 4.46Å; I569-K573 WeakPolarHBondContact O-CG 3.47Å; I569-K573 PolarHBondContact O-N 3.1Å; I569-L589 HydrophobicContact CG2-CD1 4.25Å; I569-T598 VanDerWaalsContact CG1-C 3.45Å; I569-A599 HydrophobicContact CD1-CB 3.98Å; I569-A599 HydrophobicContact CG1-CB 3.97Å |
| 570 | E | 82.6 | Confident | 81.1 | Confident | 99 Ų | 99 | 57.6 Ų | 57.6 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.5 | -36.4 | 178.2 | -149.7 | 62.8 | -164 | 0 | 0 | 111 | T568 V572 K573 T574 | T568-E570 PolarHBondContact O-N 3.36Å; T568-E570 PolarHBondContact OG1-N 3.05Å; E570-V572 PolarHBondContact O-N 3.29Å; E570-K573 PolarHBondContact O-N 3.11Å; E570-K573 IonicContact OE2-NZ 3.94Å; E570-T574 PolarHBondContact O-N 3.12Å; E570-T574 PolarHBondContact O-OG1 2.89Å |
| 571 | N | 83.1 | Confident | 81 | Confident | 65 Ų | 65 | 58.1 Ų | 58.1 | 35% | 0.348 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 170.9 | -58.9 | 31.5 | 0 | 0 | 0 | 110.3 | D567 T568 I569 K573 T574 K575 | D567-N571 HydrophobicContact CB-CB 4.11Å; D567-N571 WeakPolarHBondContact OD1-CB 3.48Å; D567-N571 PolarHBondContact OD1-ND2 2.78Å; T568-N571 WeakPolarHBondContact O-CB 3.39Å; T568-N571 PolarHBondContact O-N 3.33Å; T568-N571 VanDerWaalsContact O-N 3.14Å; T568-N571 PolarHBondContact OG1-N 2.91Å; T568-N571 PolarHBondContact OG1-OD1 2.7Å; I569-N571 VanDerWaalsContact C-N 3.35Å; N571-K573 VanDerWaalsContact C-N 3.33Å; N571-K573 PolarHBondContact O-N 2.84Å; N571-T574 PolarHBondContact O-N 2.9Å; N571-K575 WeakPolarHBondContact O-CG 3.2Å; N571-K575 PolarHBondContact O-N 3.37Å |
| 572 | V | 84.2 | Confident | 80.8 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 4% | 0.036 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61 | -42.6 | 179 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | I549 L561 V563 T568 I569 E570 K575 I576 L589 | I549-V572 HydrophobicContact CD1-CG1 3.72Å; I549-V572 HydrophobicContact CD1-CG2 4.06Å; L561-V572 HydrophobicContact CD1-CG1 3.95Å; V563-V572 HydrophobicContact CG1-CG2 4.15Å; T568-V572 WeakPolarHBondContact O-CG2 3.32Å; T568-V572 PolarHBondContact O-N 3.17Å; I569-V572 PolarHBondContact O-N 2.78Å; E570-V572 PolarHBondContact O-N 3.29Å; V572-K575 PolarHBondContact O-N 3.06Å; V572-I576 HydrophobicContact CG1-CD1 4.2Å; V572-I576 WeakPolarHBondContact O-CG1 3.44Å; V572-I576 PolarHBondContact O-N 3.44Å; V572-L589 HydrophobicContact CB-CD1 4.42Å; V572-L589 HydrophobicContact CG1-CD1 3.87Å |
| 573 | K | 86 | Confident | 80.8 | Confident | 36 Ų | 36 | 60 Ų | 60 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 176.8 | -74.6 | 178.8 | 168.2 | -165.2 | 0 | 112.7 | I569 E570 N571 K575 I576 Q577 P584 Q587 L589 | I569-K573 HydrophobicContact CG2-CD 4.47Å; I569-K573 HydrophobicContact CG2-CG 4.46Å; I569-K573 WeakPolarHBondContact O-CG 3.47Å; I569-K573 PolarHBondContact O-N 3.1Å; E570-K573 PolarHBondContact O-N 3.11Å; E570-K573 IonicContact OE2-NZ 3.94Å; N571-K573 VanDerWaalsContact C-N 3.33Å; N571-K573 PolarHBondContact O-N 2.84Å; K573-K575 VanDerWaalsContact C-N 3.31Å; K573-K575 PolarHBondContact O-N 3.49Å; K573-I576 WeakPolarHBondContact O-CB 3.03Å; K573-I576 PolarHBondContact O-N 2.72Å; K573-I576 VanDerWaalsContact O-N 3.14Å; K573-Q577 PolarHBondContact O-N 2.98Å; K573-P584 HydrophobicContact CB-CB 4Å; K573-P584 HydrophobicContact CB-CG 4.47Å; K573-P584 HydrophobicContact CD-CB 4.11Å; K573-P584 PolarHBondContact NZ-O 2.76Å; K573-Q587 HydrophobicContact CG-CB 4.31Å; K573-Q587 PolarHBondContact O-NE2 3.24Å; K573-Q587 PolarHBondContact O-OE1 3.49Å; K573-L589 HydrophobicContact CG-CD1 3.78Å; K573-L589 HydrophobicContact CG-CG 4.46Å |
| 574 | T | 85.1 | Confident | 80.7 | Confident | 57 Ų | 57 | 60.5 Ų | 60.5 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 176.1 | -50.4 | 0 | 0 | 0 | 0 | 109.9 | E570 N571 I576 Q577 D578 | E570-T574 PolarHBondContact O-N 3.12Å; E570-T574 PolarHBondContact O-OG1 2.89Å; N571-T574 PolarHBondContact O-N 2.9Å; T574-I576 VanDerWaalsContact C-N 3.27Å; T574-I576 PolarHBondContact O-N 3.35Å; T574-Q577 WeakPolarHBondContact O-CA 3.48Å; T574-Q577 VanDerWaalsContact O-CB 3.31Å; T574-Q577 WeakPolarHBondContact O-CB 3.3Å; T574-Q577 PolarHBondContact O-N 2.86Å; T574-D578 PolarHBondContact O-N 3.07Å |
| 575 | K | 86.7 | Confident | 81.1 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 26% | 0.261 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.2 | -32.8 | 174.8 | -69.5 | 177.9 | 173.6 | -170.2 | 0 | 113.7 | L561 E562 V563 D567 N571 V572 K573 K579 | L561-K575 HydrophobicContact CD2-CB 4.15Å; E562-K575 WeakPolarHBondContact O-CD 3.42Å; E562-K575 PolarHBondContact O-NZ 3.21Å; V563-K575 HydrophobicContact CG1-CD 4.48Å; D567-K575 IonicContact OD1-NZ 2.82Å; D567-K575 IonicContact OD2-NZ 3.41Å; D567-K575 PolarHBondContact OD2-NZ 3.09Å; N571-K575 WeakPolarHBondContact O-CG 3.2Å; N571-K575 PolarHBondContact O-N 3.37Å; V572-K575 PolarHBondContact O-N 3.06Å; K573-K575 VanDerWaalsContact C-N 3.31Å; K573-K575 PolarHBondContact O-N 3.49Å; K575-K579 PolarHBondContact O-N 2.91Å |
| 576 | I | 83.8 | Confident | 81.3 | Confident | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.036 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.5 | -41.1 | 173.1 | -66.2 | 163.6 | 0 | 0 | 0 | 111 | V551 L561 V572 K573 T574 D578 K579 E580 Q587 L589 | V551-I576 HydrophobicContact CG1-CD1 4.14Å; V551-I576 HydrophobicContact CG2-CD1 4.15Å; L561-I576 HydrophobicContact CD1-CD1 4.03Å; L561-I576 HydrophobicContact CD1-CG1 3.46Å; L561-I576 VanDerWaalsContact CD1-CG1 3.46Å; L561-I576 HydrophobicContact CD2-CG1 4.22Å; L561-I576 HydrophobicContact CG-CG1 4.41Å; V572-I576 HydrophobicContact CG1-CD1 4.2Å; V572-I576 WeakPolarHBondContact O-CG1 3.44Å; V572-I576 PolarHBondContact O-N 3.44Å; K573-I576 WeakPolarHBondContact O-CB 3.03Å; K573-I576 PolarHBondContact O-N 2.72Å; K573-I576 VanDerWaalsContact O-N 3.14Å; T574-I576 VanDerWaalsContact C-N 3.27Å; T574-I576 PolarHBondContact O-N 3.35Å; I576-D578 VanDerWaalsContact C-N 3.28Å; I576-D578 PolarHBondContact O-N 3.17Å; I576-K579 PolarHBondContact O-N 3.24Å; I576-E580 PolarHBondContact O-N 3.13Å; I576-Q587 HydrophobicContact CG2-CG 4.49Å; I576-L589 HydrophobicContact CD1-CD1 4.21Å; I576-L589 HydrophobicContact CD1-CD2 3.6Å; I576-L589 HydrophobicContact CD1-CG 4.39Å |
| 577 | Q | 85.1 | Confident | 81.6 | Confident | 69 Ų | 69 | 61.6 Ų | 61.6 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 175.8 | -178.2 | -178.7 | 15.3 | 0 | 0 | 110.3 | K573 T574 K579 G581 I582 | K573-Q577 PolarHBondContact O-N 2.98Å; T574-Q577 WeakPolarHBondContact O-CA 3.48Å; T574-Q577 VanDerWaalsContact O-CB 3.31Å; T574-Q577 WeakPolarHBondContact O-CB 3.3Å; T574-Q577 PolarHBondContact O-N 2.86Å; Q577-K579 VanDerWaalsContact C-N 3.31Å; Q577-K579 PolarHBondContact O-N 2.94Å; Q577-G581 WeakPolarHBondContact O-CA 3.46Å; Q577-G581 PolarHBondContact O-N 3.49Å; Q577-I582 VanDerWaalsContact CA-O 3.27Å; Q577-I582 WeakPolarHBondContact CA-O 3.38Å; Q577-I582 WeakPolarHBondContact CB-O 3.13Å; Q577-I582 WeakPolarHBondContact CG-O 3.28Å |
| 578 | D | 81.6 | Confident | 81.7 | Confident | 124 Ų | 124 | 68.8 Ų | 68.8 | 66% | 0.663 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64 | -35.5 | -179.6 | -64.4 | -26.6 | 0 | 0 | 0 | 112.6 | T574 I576 | T574-D578 PolarHBondContact O-N 3.07Å; I576-D578 VanDerWaalsContact C-N 3.28Å; I576-D578 PolarHBondContact O-N 3.17Å |
| 579 | K | 82.5 | Confident | 81.5 | Confident | 121 Ų | 121 | 66.6 Ų | 66.6 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -82.4 | -35.5 | 179.6 | -82.6 | -161.1 | 177.9 | -173.7 | 0 | 114.8 | I559 T560 L561 K575 I576 Q577 | I559-K579 HydrophobicContact CG2-CB 4.47Å; I559-K579 HydrophobicContact CG2-CD 4.05Å; T560-K579 PolarHBondContact O-NZ 2.9Å; L561-K579 HydrophobicContact CD2-CD 4.04Å; K575-K579 PolarHBondContact O-N 2.91Å; I576-K579 PolarHBondContact O-N 3.24Å; Q577-K579 VanDerWaalsContact C-N 3.31Å; Q577-K579 PolarHBondContact O-N 2.94Å |
| 580 | E | 84.5 | Confident | 81.1 | Confident | 66 Ų | 66 | 70.9 Ų | 70.9 | 31% | 0.308 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -121 | -5.6 | -168.7 | -62.5 | -69.1 | 138.6 | 0 | 0 | 113.6 | K557 I559 I576 I582 | K557-E580 WeakPolarHBondContact CE-OE1 3.29Å; K557-E580 IonicContact NZ-OE1 2.72Å; K557-E580 PolarHBondContact NZ-OE1 2.83Å; K557-E580 IonicContact NZ-OE2 2.66Å; K557-E580 PolarHBondContact NZ-OE2 2.8Å; I559-E580 HydrophobicContact CD1-CG 3.52Å; I559-E580 HydrophobicContact CG1-CG 4Å; I576-E580 PolarHBondContact O-N 3.13Å; E580-I582 VanDerWaalsContact C-N 3.29Å; E580-I582 HydrophobicContact CB-CD1 4.23Å; E580-I582 HydrophobicContact CB-CG1 4.19Å; E580-I582 PolarHBondContact O-N 2.83Å |
| 581 | G | 80.4 | Confident | 80.5 | Confident | 59 Ų | 59 | 68.2 Ų | 68.2 | 61% | 0.608 | 35% | 0.348 | S | S | * | . | trans | 73.7 | 13.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q577 P583 | Q577-G581 WeakPolarHBondContact O-CA 3.46Å; Q577-G581 PolarHBondContact O-N 3.49Å; G581-P583 WeakPolarHBondContact O-CD 3.28Å | ||
| 582 | I | 78.3 | Confident | 79.7 | Confident | 65 Ų | 65 | 69.4 Ų | 69.4 | 33% | 0.333 | 37% | 0.366 | S | S | . | . | trans | -92.4 | 118.8 | -177.3 | -54.5 | 174.2 | 0 | 0 | 0 | 109.8 | Q577 E580 Q586 Q587 | Q577-I582 VanDerWaalsContact CA-O 3.27Å; Q577-I582 WeakPolarHBondContact CA-O 3.38Å; Q577-I582 WeakPolarHBondContact CB-O 3.13Å; Q577-I582 WeakPolarHBondContact CG-O 3.28Å; E580-I582 VanDerWaalsContact C-N 3.29Å; E580-I582 HydrophobicContact CB-CD1 4.23Å; E580-I582 HydrophobicContact CB-CG1 4.19Å; E580-I582 PolarHBondContact O-N 2.83Å; I582-Q586 HydrophobicContact CG2-CB 4.04Å; I582-Q587 HydrophobicContact CB-CG 4.34Å; I582-Q587 HydrophobicContact CG2-CG 3.8Å; I582-Q587 PolarHBondContact O-NE2 2.88Å | ||
| 583 | P | 75.4 | Confident | 78.4 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 25% | 0.253 | 40% | 0.401 | S | S | . | . | trans | -59.8 | 144.4 | 178.5 | -27.5 | 37.5 | 0 | 0 | 0 | 114.4 | G581 D585 Q586 Q587 | G581-P583 WeakPolarHBondContact O-CD 3.28Å; P583-D585 VanDerWaalsContact C-N 3.27Å; P583-D585 WeakPolarHBondContact CB-OD1 3.4Å; P583-D585 PolarHBondContact O-N 2.82Å; P583-D585 VanDerWaalsContact O-N 3.16Å; P583-Q586 HydrophobicContact CB-CG 4.37Å; P583-Q586 WeakPolarHBondContact O-CA 3.33Å; P583-Q586 WeakPolarHBondContact O-CB 3.35Å; P583-Q586 PolarHBondContact O-N 3.13Å; P583-Q587 WeakPolarHBondContact O-CG 3.48Å; P583-Q587 PolarHBondContact O-N 3.25Å | ||
| 584 | P | 76 | Confident | 76.8 | Confident | 21 Ų | 21 | 78.4 Ų | 78.4 | 14% | 0.136 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.4 | -175.1 | -29.9 | 36.5 | 0 | 0 | 0 | 116 | K573 Q586 Q587 | K573-P584 HydrophobicContact CB-CB 4Å; K573-P584 HydrophobicContact CB-CG 4.47Å; K573-P584 HydrophobicContact CD-CB 4.11Å; K573-P584 PolarHBondContact NZ-O 2.76Å; P584-Q586 VanDerWaalsContact C-N 3.33Å; P584-Q587 PolarHBondContact O-N 3.29Å |
| 585 | D | 80 | Confident | 75.3 | Confident | 135 Ų | 135 | 84 Ų | 84 | 72% | 0.722 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -26.8 | 175.8 | 62.7 | -42.8 | 0 | 0 | 0 | 112.5 | P583 Q587 | P583-D585 VanDerWaalsContact C-N 3.27Å; P583-D585 WeakPolarHBondContact CB-OD1 3.4Å; P583-D585 PolarHBondContact O-N 2.82Å; P583-D585 VanDerWaalsContact O-N 3.16Å; D585-Q587 VanDerWaalsContact C-N 3.34Å |
| 586 | Q | 77.6 | Confident | 73.7 | Confident | 136 Ų | 136 | 83.5 Ų | 83.5 | 64% | 0.636 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -7 | 173.7 | -59.1 | -174.6 | 0.3 | 0 | 0 | 112.9 | I582 P583 P584 | I582-Q586 HydrophobicContact CG2-CB 4.04Å; P583-Q586 HydrophobicContact CB-CG 4.37Å; P583-Q586 WeakPolarHBondContact O-CA 3.33Å; P583-Q586 WeakPolarHBondContact O-CB 3.35Å; P583-Q586 PolarHBondContact O-N 3.13Å; P584-Q586 VanDerWaalsContact C-N 3.33Å |
| 587 | Q | 80.8 | Confident | 72.2 | Confident | 17 Ų | 17 | 91.9 Ų | 91.9 | 8% | 0.079 | 48% | 0.478 | C | S | . | . | trans | -92.1 | 130 | 179.6 | -63.7 | 178.5 | 30.7 | 0 | 0 | 112.5 | K573 I576 I582 P583 P584 D585 | K573-Q587 HydrophobicContact CG-CB 4.31Å; K573-Q587 PolarHBondContact O-NE2 3.24Å; K573-Q587 PolarHBondContact O-OE1 3.49Å; I576-Q587 HydrophobicContact CG2-CG 4.49Å; I582-Q587 HydrophobicContact CB-CG 4.34Å; I582-Q587 HydrophobicContact CG2-CG 3.8Å; I582-Q587 PolarHBondContact O-NE2 2.88Å; P583-Q587 WeakPolarHBondContact O-CG 3.48Å; P583-Q587 PolarHBondContact O-N 3.25Å; P584-Q587 PolarHBondContact O-N 3.29Å; D585-Q587 VanDerWaalsContact C-N 3.34Å | ||
| 588 | R | 78.1 | Confident | 70.2 | Confident | 175 Ų | 175 | 92.8 Ų | 92.8 | 66% | 0.66 | 49% | 0.489 | S | S | * | . | trans | -117.5 | 105.8 | 166.8 | -103.7 | -177.5 | 176.7 | -175.5 | -0.4 | 110.3 | ||||
| 589 | L | 79 | Confident | 68.2 | Low | 21 Ų | 21 | 88 Ų | 88 | 11% | 0.11 | 47% | 0.466 | C | S | . | . | trans | -86.5 | 128.3 | 172.9 | -63.8 | 174.1 | 0 | 0 | 0 | 110.3 | V551 I569 V572 K573 I576 | V551-L589 HydrophobicContact CG1-CD2 4.12Å; I569-L589 HydrophobicContact CG2-CD1 4.25Å; V572-L589 HydrophobicContact CB-CD1 4.42Å; V572-L589 HydrophobicContact CG1-CD1 3.87Å; K573-L589 HydrophobicContact CG-CD1 3.78Å; K573-L589 HydrophobicContact CG-CG 4.46Å; I576-L589 HydrophobicContact CD1-CD1 4.21Å; I576-L589 HydrophobicContact CD1-CD2 3.6Å; I576-L589 HydrophobicContact CD1-CG 4.39Å | ||
| 590 | I | 71.6 | Confident | 66 | Low | 110 Ų | 110 | 87.1 Ų | 87.1 | 56% | 0.564 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.4 | -179.8 | -56 | 175.5 | 0 | 0 | 0 | 107.6 | ||
| 591 | F | 71.8 | Confident | 63.7 | Low | 44 Ų | 44 | 86.1 Ų | 86.1 | 19% | 0.193 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.4 | 175.2 | -178.1 | -112.7 | 0 | 0 | 0 | 109.3 | G593 K594 Q596 S601 M602 A603 I604 | F591-G593 PolarHBondContact O-N 3.49Å; F591-G593 VanDerWaalsContact O-N 3.16Å; F591-K594 PolarHBondContact N-O 2.97Å; F591-K594 PolarHBondContact O-N 3.33Å; F591-K594 VanDerWaalsContact O-N 3.1Å; F591-K594 VanDerWaalsContact O-O 3.13Å; F591-Q596 HydrophobicContact CB-CG 3.85Å; F591-S601 WeakPolarHBondContact CD1-O 3.31Å; F591-S601 WeakPolarHBondContact CE1-O 3.48Å; F591-M602 HydrophobicContact CB-CE 4.21Å; F591-M602 HydrophobicContact CB-CG 4.21Å; F591-M602 HydrophobicContact CD2-CG 4.19Å; F591-M602 HydrophobicContact CG-CG 4.02Å; F591-A603 WeakPolarHBondContact CZ-O 3.42Å; F591-I604 HydrophobicContact CD2-CD1 4.17Å; F591-I604 HydrophobicContact CD2-CG1 4.22Å; F591-I604 HydrophobicContact CE2-CD1 3.71Å; F591-I604 HydrophobicContact CE2-CG1 3.33Å; F591-I604 HydrophobicContact CZ-CG1 4Å |
| 592 | A | 65.2 | Low | 61.7 | Low | 89 Ų | 89 | 85.1 Ų | 85.1 | 74% | 0.736 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 39 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K594 | A592-K594 VanDerWaalsContact C-N 3.27Å; A592-K594 PolarHBondContact O-N 3.27Å |
| 593 | G | 56.9 | Low | 59.3 | Low | 74 Ų | 74 | 85.8 Ų | 85.8 | 76% | 0.763 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 4.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | F591 | F591-G593 PolarHBondContact O-N 3.49Å; F591-G593 VanDerWaalsContact O-N 3.16Å |
| 594 | K | 51.8 | Low | 57.2 | Low | 158 Ų | 158 | 88.8 Ų | 88.8 | 69% | 0.687 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 142.3 | 173.2 | -71.3 | -174.9 | 179.6 | 179.3 | 0 | 111.7 | F591 A592 Q596 | F591-K594 PolarHBondContact N-O 2.97Å; F591-K594 PolarHBondContact O-N 3.33Å; F591-K594 VanDerWaalsContact O-N 3.1Å; F591-K594 VanDerWaalsContact O-O 3.13Å; A592-K594 VanDerWaalsContact C-N 3.27Å; A592-K594 PolarHBondContact O-N 3.27Å; K594-Q596 PolarHBondContact O-N 3.13Å |
| 595 | R | 55 | Low | 54.8 | Low | 173 Ų | 173 | 93.1 Ų | 93.1 | 65% | 0.653 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 119.6 | 174.4 | -161 | 177.6 | -176.2 | -166.3 | -2.4 | 108 | ||
| 596 | Q | 53.4 | Low | 52.3 | Low | 50 Ų | 50 | 97.4 Ų | 97.4 | 23% | 0.234 | 52% | 0.523 | C | S | . | . | trans | -89.1 | 140.6 | -175.6 | -72.3 | -68.5 | -18.3 | 0 | 0 | 111.6 | F591 K594 S601 | F591-Q596 HydrophobicContact CB-CG 3.85Å; K594-Q596 PolarHBondContact O-N 3.13Å; Q596-S601 PolarHBondContact OE1-OG 3.46Å; Q596-S601 VanDerWaalsContact OE1-OG 3.05Å | ||
| 597 | Q | 51.2 | Low | 50 | Low | 184 Ų | 184 | 101.2 Ų | 101.2 | 86% | 0.86 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -107.3 | -11.5 | 174 | -71.6 | -176.6 | -11.3 | 0 | 0 | 112.8 | ||
| 598 | T | 42.1 | Very low | 47.7 | Very low | 88 Ų | 88 | 115.2 Ų | 115.2 | 54% | 0.54 | 59% | 0.585 | S | S | . | * | trans | -143 | 148.7 | -178.8 | 46.1 | 0 | 0 | 0 | 0 | 111.1 | I569 | I569-T598 VanDerWaalsContact CG1-C 3.45Š| ||
| 599 | A | 40.3 | Very low | 46.2 | Very low | 22 Ų | 22 | 112.2 Ų | 112.2 | 18% | 0.182 | 58% | 0.582 | C | S | . | * | G | 310 helix | trans | -80.7 | -26.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D567 I569 S601 M602 | D567-A599 WeakPolarHBondContact O-CB 3.49Å; I569-A599 HydrophobicContact CD1-CB 3.98Å; I569-A599 HydrophobicContact CG1-CB 3.97Å; A599-S601 PolarHBondContact O-N 2.81Å; A599-M602 PolarHBondContact O-N 2.91Å; A599-M602 VanDerWaalsContact O-N 3.11Å |
| 600 | A | 37.6 | Very low | 44.5 | Very low | 103 Ų | 103 | 117 Ų | 117 | 85% | 0.851 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -58.2 | -15.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 601 | S | 36 | Very low | 43 | Very low | 45 Ų | 45 | 117.4 Ų | 117.4 | 32% | 0.315 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -85.7 | -5.4 | -179.6 | -38.5 | 0 | 0 | 0 | 0 | 114.7 | F591 Q596 A599 A603 | F591-S601 WeakPolarHBondContact CD1-O 3.31Å; F591-S601 WeakPolarHBondContact CE1-O 3.48Å; Q596-S601 PolarHBondContact OE1-OG 3.46Å; Q596-S601 VanDerWaalsContact OE1-OG 3.05Å; A599-S601 PolarHBondContact O-N 2.81Å; S601-A603 PolarHBondContact O-N 3.05Å |
| 602 | M | 36.6 | Very low | 41.3 | Very low | 38 Ų | 38 | 121.7 Ų | 121.7 | 19% | 0.187 | 63% | 0.633 | C | S | . | * | trans | -86.6 | 73.4 | 176.7 | -89.8 | -174.7 | 156.9 | 0 | 0 | 111.1 | I549 F591 A599 | I549-M602 HydrophobicContact CD1-SD 4.37Å; F591-M602 HydrophobicContact CB-CE 4.21Å; F591-M602 HydrophobicContact CB-CG 4.21Å; F591-M602 HydrophobicContact CD2-CG 4.19Å; F591-M602 HydrophobicContact CG-CG 4.02Å; A599-M602 PolarHBondContact O-N 2.91Å; A599-M602 VanDerWaalsContact O-N 3.11Å | ||
| 603 | A | 28.2 | Very low | 39.8 | Very low | 79 Ų | 79 | 123.8 Ų | 123.8 | 65% | 0.653 | 63% | 0.627 | S | S | * | * | trans | -93.7 | 100.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | F591 S601 | F591-A603 WeakPolarHBondContact CZ-O 3.42Å; S601-A603 PolarHBondContact O-N 3.05Å | ||
| 604 | I | 32.1 | Very low | 38.6 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 52% | 0.523 | 62% | 0.618 | S | S | . | * | trans | -105.7 | 105.1 | 163.6 | -64.5 | 176.4 | 0 | 0 | 0 | 107.8 | F591 | F591-I604 HydrophobicContact CD2-CD1 4.17Å; F591-I604 HydrophobicContact CD2-CG1 4.22Å; F591-I604 HydrophobicContact CE2-CD1 3.71Å; F591-I604 HydrophobicContact CE2-CG1 3.33Å; F591-I604 HydrophobicContact CZ-CG1 4Å | ||
| 605 | V | 25.7 | Very low | 37.7 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | trans | -83.4 | 120.4 | 155.8 | 173.8 | 0 | 0 | 0 | 0 | 107.3 | Y607 | V605-Y607 HydrophobicContact CG1-CD2 4.32Š| ||
| 606 | Y | 27.3 | Very low | 36.3 | Very low | 224 Ų | 224 | 121.2 Ų | 121.2 | 88% | 0.878 | 61% | 0.61 | S | S | * | * | trans | -148.7 | 125.5 | 138.1 | -95.9 | -77.4 | 0 | 0 | 0 | 108.7 | ||||
| 607 | Y | 28.5 | Very low | 34.9 | Very low | 216 Ų | 216 | 127.1 Ų | 127.1 | 85% | 0.847 | 64% | 0.641 | S | S | * | * | trans | -68.6 | 139.8 | -177.8 | -92.2 | -98.9 | 0 | 0 | 0 | 113.3 | V605 | V605-Y607 HydrophobicContact CG1-CD2 4.32Š| ||
| 608 | R | 33.5 | Very low | 33.4 | Very low | 311 Ų | 311 | 121.9 Ų | 121.9 | 100% | 1.174 | 62% | 0.621 | S | S | * | * | -143.8 | 0 | 112.4 | -129.8 | -174.9 | -165 | -169.6 | 4.4 | 110.9 |
Retrieved 608 of 608 residues in 399.2 ms
(Link to these results)