| 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 | 96 | Very high | 95 | Very high | 60 Ų | 60 | 66.1 Ų | 66.1 | 30% | 0.296 | 35% | 0.35 | S | S | . | . | 0 | 150.1 | 0 | 69.2 | 176.3 | 177.1 | 0 | 0 | 108.4 | I3 V17 P19 L56 I61 K63 | M1-I3 HydrophobicContact CE-CG2 4.38Å; M1-V17 HydrophobicContact CE-CG2 4.04Å; M1-V17 HydrophobicContact CG-CG2 3.88Å; M1-V17 WeakPolarHBondContact CG-O 3.35Å; M1-V17 PolarHBondContact N-O 2.91Å; M1-V17 WeakPolarHBondContact O-CG2 3.29Å; M1-V17 PolarHBondContact O-N 2.88Å; M1-P19 HydrophobicContact CE-CB 4.45Å; M1-P19 HydrophobicContact CE-CG 4.05Å; M1-P19 HydrophobicContact SD-CG 4.18Å; M1-L56 HydrophobicContact CE-CD1 4.15Å; M1-I61 WeakPolarHBondContact CE-O 3.45Å; M1-K63 HydrophobicContact CB-CB 4.34Å; M1-K63 HydrophobicContact SD-CB 4.46Å; M1-K63 PolarHBondContact SD-N 3.19Å | |||
| 2 | Q | 97.4 | Very high | 95.1 | Very high | 84 Ų | 84 | 66.8 Ų | 66.8 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 134.4 | 177.9 | -73 | 178.4 | 19.5 | 0 | 0 | 111.2 | T14 L15 E16 E64 | Q2-T14 HydrophobicContact CB-CG2 4.45Å; Q2-T14 HydrophobicContact CG-CG2 4.28Å; Q2-L15 WeakPolarHBondContact CA-O 3.48Å; Q2-E16 VanDerWaalsContact CD-OE1 3.23Å; Q2-E16 WeakPolarHBondContact CG-OE1 3.24Å; Q2-E16 WeakPolarHBondContact CG-OE2 3.46Å; Q2-E16 PolarHBondContact NE2-OE1 3.32Å; Q2-E64 PolarHBondContact O-N 2.79Å |
| 3 | I | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 165.5 | 164.8 | 66 | 169 | 0 | 0 | 0 | 109.3 | M1 L15 V17 V26 L56 I61 L67 | M1-I3 HydrophobicContact CE-CG2 4.38Å; I3-L15 HydrophobicContact CG1-CB 4.01Å; I3-L15 PolarHBondContact N-O 3.39Å; I3-L15 PolarHBondContact O-N 3.17Å; I3-V17 HydrophobicContact CB-CG2 4.3Å; I3-V17 HydrophobicContact CD1-CG1 3.92Å; I3-V17 HydrophobicContact CD1-CG2 3.92Å; I3-V17 HydrophobicContact CG1-CG1 4.02Å; I3-V17 HydrophobicContact CG1-CG2 3.75Å; I3-V17 HydrophobicContact CG2-CG2 3.72Å; I3-V26 HydrophobicContact CD1-CG1 4.42Å; I3-L56 HydrophobicContact CD1-CD1 4.3Å; I3-L56 HydrophobicContact CD1-CD2 4.45Å; I3-I61 HydrophobicContact CG2-CG2 4.03Å; I3-L67 HydrophobicContact CD1-CD1 3.99Å; I3-L67 HydrophobicContact CD1-CD2 4.16Å |
| 4 | F | 98.4 | Very high | 95.3 | Very high | 54 Ų | 54 | 61.8 Ų | 61.8 | 24% | 0.237 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 142.6 | 177.5 | -56.4 | -72.1 | 0 | 0 | 0 | 110.5 | T12 I13 T14 E64 S65 T66 L67 | F4-T12 HydrophobicContact CB-CG2 3.88Å; F4-T12 HydrophobicContact CD1-CG2 3.88Å; F4-T12 HydrophobicContact CG-CG2 4.21Å; F4-I13 CarbonylContact C-O 3.46Å; F4-I13 WeakPolarHBondContact CA-O 3.43Å; F4-T14 HydrophobicContact CD1-CG2 4.38Å; F4-T14 HydrophobicContact CE1-CG2 4.08Å; F4-E64 HydrophobicContact CE2-CB 4.06Å; F4-E64 HydrophobicContact CE2-CG 4.04Å; F4-S65 PolarHBondContact N-O 3.5Å; F4-T66 HydrophobicContact CB-CG2 4.3Å; F4-T66 CarbonylContact O-C 3.54Å; F4-T66 WeakPolarHBondContact O-CA 3.21Å; F4-L67 PolarHBondContact O-N 2.89Å |
| 5 | V | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 115.6 | 171.7 | -178.5 | 0 | 0 | 0 | 0 | 108 | T12 I13 L15 I30 L43 L67 L69 | V5-T12 WeakPolarHBondContact O-CA 3.48Å; V5-I13 HydrophobicContact CB-CB 4.29Å; V5-I13 HydrophobicContact CB-CD1 4.43Å; V5-I13 HydrophobicContact CG1-CD1 4.41Å; V5-I13 PolarHBondContact N-O 2.92Å; V5-I13 PolarHBondContact O-N 3.2Å; V5-L15 HydrophobicContact CG2-CD1 3.53Å; V5-L15 HydrophobicContact CG2-CG 4.2Å; V5-I30 HydrophobicContact CG1-CD1 4.12Å; V5-I30 HydrophobicContact CG2-CD1 4.09Å; V5-I30 HydrophobicContact CG2-CG1 4.46Å; V5-L43 HydrophobicContact CG1-CD2 4.18Å; V5-L67 CarbonylContact C-O 3.59Å; V5-L67 WeakPolarHBondContact CA-O 3.24Å; V5-L67 HydrophobicContact CG2-CB 4.34Å; V5-L69 HydrophobicContact CG1-CB 3.57Å; V5-L69 HydrophobicContact CG1-CD2 4.47Å |
| 6 | K | 97.7 | Very high | 95.7 | Very high | 90 Ų | 90 | 60.6 Ų | 60.6 | 39% | 0.391 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.5 | 179.2 | -164.9 | 172.8 | -175.9 | 178 | 0 | 110.2 | T66 L67 H68 L69 | K6-T66 HydrophobicContact CB-CG2 3.96Å; K6-L67 PolarHBondContact N-O 3.23Å; K6-H68 WeakPolarHBondContact O-CA 3.16Å; K6-L69 PolarHBondContact O-N 3.06Å |
| 7 | T | 94.1 | Very high | 95.8 | Very high | 23 Ų | 23 | 57.2 Ų | 57.2 | 14% | 0.141 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 164.8 | 174.8 | 65.9 | 0 | 0 | 0 | 0 | 111 | T9 G10 K11 I13 L69 | T7-T9 PolarHBondContact O-N 2.78Å; T7-T9 PolarHBondContact OG1-OG1 2.79Å; T7-G10 PolarHBondContact O-N 3.39Å; T7-K11 HydrophobicContact CG2-CB 4.39Å; T7-K11 PolarHBondContact N-O 2.85Å; T7-K11 WeakPolarHBondContact OG1-CB 3.41Å; T7-K11 PolarHBondContact OG1-N 3.13Å; T7-K11 VanDerWaalsContact OG1-N 3.14Å; T7-K11 PolarHBondContact OG1-O 3.11Å; T7-K11 VanDerWaalsContact OG1-O 3.06Å; T7-I13 HydrophobicContact CG2-CD1 3.89Å; T7-L69 HydrophobicContact CG2-CD2 4.41Å |
| 8 | L | 90.4 | Very high | 95.9 | Very high | 143 Ų | 143 | 60.8 Ų | 60.8 | 75% | 0.749 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.4 | 174.1 | -68 | 179.5 | 0 | 0 | 0 | 113.7 | G10 V70 | L8-G10 PolarHBondContact O-N 3.22Å; L8-V70 HydrophobicContact CD1-CG1 4.28Å; L8-V70 HydrophobicContact CD1-CG2 4.47Å; L8-V70 HydrophobicContact CD2-CG2 4.18Å; L8-V70 HydrophobicContact CG-CG2 4.41Å |
| 9 | T | 89.3 | Confident | 96 | Very high | 128 Ų | 128 | 61 Ų | 61 | 79% | 0.785 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -4.2 | 176.3 | 62.1 | 0 | 0 | 0 | 0 | 112.7 | T7 | T7-T9 PolarHBondContact O-N 2.78Å; T7-T9 PolarHBondContact OG1-OG1 2.79Å |
| 10 | G | 90.9 | Very high | 96.1 | Very high | 38 Ų | 38 | 61.8 Ų | 61.8 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 89.3 | -5.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T7 L8 T12 | T7-G10 PolarHBondContact O-N 3.39Å; L8-G10 PolarHBondContact O-N 3.22Å; G10-T12 PolarHBondContact O-N 3.41Å |
| 11 | K | 94 | Very high | 96.2 | Very high | 107 Ų | 107 | 59.7 Ų | 59.7 | 47% | 0.465 | 32% | 0.324 | S | S | . | . | trans | -61.7 | 133.3 | 171.5 | -176.8 | -178.6 | 176.4 | -171.4 | 0 | 109.7 | T7 E34 | T7-K11 HydrophobicContact CG2-CB 4.39Å; T7-K11 PolarHBondContact N-O 2.85Å; T7-K11 WeakPolarHBondContact OG1-CB 3.41Å; T7-K11 PolarHBondContact OG1-N 3.13Å; T7-K11 VanDerWaalsContact OG1-N 3.14Å; T7-K11 PolarHBondContact OG1-O 3.11Å; T7-K11 VanDerWaalsContact OG1-O 3.06Å; K11-E34 WeakPolarHBondContact CE-OE1 3.29Å; K11-E34 WeakPolarHBondContact CE-OE2 3.5Å; K11-E34 IonicContact NZ-OE1 2.66Å; K11-E34 PolarHBondContact NZ-OE1 3.25Å; K11-E34 IonicContact NZ-OE2 2.79Å; K11-E34 PolarHBondContact NZ-OE2 3.03Å | ||
| 12 | T | 96.3 | Very high | 96.4 | Very high | 75 Ų | 75 | 58.4 Ų | 58.4 | 46% | 0.46 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.4 | 175.5 | -59.4 | 0 | 0 | 0 | 0 | 109.7 | F4 V5 G10 | F4-T12 HydrophobicContact CB-CG2 3.88Å; F4-T12 HydrophobicContact CD1-CG2 3.88Å; F4-T12 HydrophobicContact CG-CG2 4.21Å; V5-T12 WeakPolarHBondContact O-CA 3.48Å; G10-T12 PolarHBondContact O-N 3.41Å |
| 13 | I | 96.1 | Very high | 96.4 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.036 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.5 | 177.8 | -53.2 | 150.4 | 0 | 0 | 0 | 107.4 | F4 V5 T7 L15 K33 E34 | F4-I13 CarbonylContact C-O 3.46Å; F4-I13 WeakPolarHBondContact CA-O 3.43Å; V5-I13 HydrophobicContact CB-CB 4.29Å; V5-I13 HydrophobicContact CB-CD1 4.43Å; V5-I13 HydrophobicContact CG1-CD1 4.41Å; V5-I13 PolarHBondContact N-O 2.92Å; V5-I13 PolarHBondContact O-N 3.2Å; T7-I13 HydrophobicContact CG2-CD1 3.89Å; I13-L15 HydrophobicContact CG2-CD2 3.93Å; I13-L15 HydrophobicContact CG2-CG 4.41Å; I13-K33 HydrophobicContact CG2-CB 4.41Å; I13-K33 HydrophobicContact CG2-CD 3.9Å; I13-E34 HydrophobicContact CD1-CG 3.51Å; I13-E34 HydrophobicContact CG1-CG 3.99Å |
| 14 | T | 97.7 | Very high | 96.3 | Very high | 56 Ų | 56 | 59.9 Ų | 59.9 | 34% | 0.344 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 127.7 | 174.8 | -53.1 | 0 | 0 | 0 | 0 | 109.6 | Q2 F4 K33 | Q2-T14 HydrophobicContact CB-CG2 4.45Å; Q2-T14 HydrophobicContact CG-CG2 4.28Å; F4-T14 HydrophobicContact CD1-CG2 4.38Å; F4-T14 HydrophobicContact CE1-CG2 4.08Å; T14-K33 PolarHBondContact O-NZ 2.91Å |
| 15 | L | 97.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 137.4 | 177.9 | -59 | 179.5 | 0 | 0 | 0 | 111 | Q2 I3 V5 I13 V17 V26 K29 I30 K33 | Q2-L15 WeakPolarHBondContact CA-O 3.48Å; I3-L15 HydrophobicContact CG1-CB 4.01Å; I3-L15 PolarHBondContact N-O 3.39Å; I3-L15 PolarHBondContact O-N 3.17Å; V5-L15 HydrophobicContact CG2-CD1 3.53Å; V5-L15 HydrophobicContact CG2-CG 4.2Å; I13-L15 HydrophobicContact CG2-CD2 3.93Å; I13-L15 HydrophobicContact CG2-CG 4.41Å; L15-V17 HydrophobicContact CB-CG1 3.97Å; L15-V26 HydrophobicContact CD1-CG1 3.91Å; L15-K29 HydrophobicContact CD2-CB 4.24Å; L15-I30 HydrophobicContact CD1-CD1 4.2Å; L15-I30 HydrophobicContact CD1-CG1 3.65Å; L15-I30 HydrophobicContact CD2-CG1 4.47Å; L15-K33 HydrophobicContact CD2-CD 3.8Å |
| 16 | E | 98.1 | Very high | 96.3 | Very high | 103 Ų | 103 | 60.7 Ų | 60.7 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.9 | 166 | -68.6 | -65.3 | 170.6 | 0 | 0 | 109.3 | Q2 K29 | Q2-E16 VanDerWaalsContact CD-OE1 3.23Å; Q2-E16 WeakPolarHBondContact CG-OE1 3.24Å; Q2-E16 WeakPolarHBondContact CG-OE2 3.46Å; Q2-E16 PolarHBondContact NE2-OE1 3.32Å; E16-K29 PolarHBondContact O-NZ 2.94Å |
| 17 | V | 98 | Very high | 96.3 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | trans | -135.9 | 157.8 | -172.8 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | M1 I3 L15 D21 V26 K29 L56 | M1-V17 HydrophobicContact CE-CG2 4.04Å; M1-V17 HydrophobicContact CG-CG2 3.88Å; M1-V17 WeakPolarHBondContact CG-O 3.35Å; M1-V17 PolarHBondContact N-O 2.91Å; M1-V17 WeakPolarHBondContact O-CG2 3.29Å; M1-V17 PolarHBondContact O-N 2.88Å; I3-V17 HydrophobicContact CB-CG2 4.3Å; I3-V17 HydrophobicContact CD1-CG1 3.92Å; I3-V17 HydrophobicContact CD1-CG2 3.92Å; I3-V17 HydrophobicContact CG1-CG1 4.02Å; I3-V17 HydrophobicContact CG1-CG2 3.75Å; I3-V17 HydrophobicContact CG2-CG2 3.72Å; L15-V17 HydrophobicContact CB-CG1 3.97Å; V17-D21 VanDerWaalsContact CA-OD2 3.26Å; V17-D21 WeakPolarHBondContact CA-OD2 3.06Å; V17-D21 WeakPolarHBondContact CB-OD2 3.23Å; V17-V26 HydrophobicContact CG1-CG2 4.29Å; V17-K29 HydrophobicContact CG1-CD 4.04Å; V17-L56 HydrophobicContact CB-CD1 3.59Å; V17-L56 HydrophobicContact CG1-CD1 4.18Å; V17-L56 HydrophobicContact CG2-CD1 3.41Å; V17-L56 VanDerWaalsContact CG2-CD1 3.41Å | ||
| 18 | E | 98 | Very high | 96.3 | Very high | 121 Ų | 121 | 57.2 Ų | 57.2 | 57% | 0.565 | 32% | 0.324 | S | S | * | . | trans | -103.7 | 148 | 169 | -63.1 | -173.9 | 171.9 | 0 | 0 | 110.1 | S20 D21 | E18-S20 PolarHBondContact O-N 3.49Å; E18-S20 VanDerWaalsContact O-N 3.08Å; E18-D21 PolarHBondContact N-OD2 3.08Å; E18-D21 VanDerWaalsContact O-CB 3.28Å; E18-D21 WeakPolarHBondContact O-CB 3.39Å; E18-D21 PolarHBondContact O-N 3.44Å | ||
| 19 | P | 97.7 | Very high | 96.6 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 42% | 0.422 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -26.9 | 175.4 | -26.3 | 35.2 | 0 | 0 | 0 | 114 | M1 L56 S57 | M1-P19 HydrophobicContact CE-CB 4.45Å; M1-P19 HydrophobicContact CE-CG 4.05Å; M1-P19 HydrophobicContact SD-CG 4.18Å; P19-L56 PolarHBondContact O-N 3.16Å; P19-S57 WeakPolarHBondContact O-CB 3.5Å; P19-S57 PolarHBondContact O-N 3.12Å |
| 20 | S | 98.2 | Very high | 97 | Very high | 76 Ų | 76 | 47.6 Ų | 47.6 | 53% | 0.531 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -10.8 | 174.8 | 41.5 | 0 | 0 | 0 | 0 | 114.6 | E18 T22 T55 | E18-S20 PolarHBondContact O-N 3.49Å; E18-S20 VanDerWaalsContact O-N 3.08Å; S20-T22 PolarHBondContact O-N 3.27Å; S20-T55 WeakPolarHBondContact O-CG2 3.48Å |
| 21 | D | 98.5 | Very high | 97 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 10% | 0.096 | 25% | 0.254 | C | S | . | . | trans | -59.9 | 130.8 | 176.6 | -82.1 | -29.4 | 0 | 0 | 0 | 109.8 | V17 E18 N25 V26 K29 T55 L56 | V17-D21 VanDerWaalsContact CA-OD2 3.26Å; V17-D21 WeakPolarHBondContact CA-OD2 3.06Å; V17-D21 WeakPolarHBondContact CB-OD2 3.23Å; E18-D21 PolarHBondContact N-OD2 3.08Å; E18-D21 VanDerWaalsContact O-CB 3.28Å; E18-D21 WeakPolarHBondContact O-CB 3.39Å; E18-D21 PolarHBondContact O-N 3.44Å; D21-N25 HydrophobicContact CB-CB 4.17Å; D21-N25 PolarHBondContact OD1-ND2 2.88Å; D21-V26 HydrophobicContact CB-CG2 4.34Å; D21-K29 WeakPolarHBondContact OD2-CE 3.49Å; D21-K29 IonicContact OD2-NZ 2.97Å; D21-T55 CarbonylContact O-C 3.56Å; D21-T55 VanDerWaalsContact O-CA 3.24Å; D21-T55 WeakPolarHBondContact O-CA 3.12Å; D21-L56 HydrophobicContact CB-CD1 4.3Å; D21-L56 PolarHBondContact O-N 2.94Å | ||
| 22 | T | 98.5 | Very high | 96.8 | Very high | 34 Ų | 34 | 48.7 Ų | 48.7 | 21% | 0.209 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -70.5 | 159.5 | 170.5 | 62.9 | 0 | 0 | 0 | 0 | 110.2 | S20 E24 N25 V26 D52 R54 | S20-T22 PolarHBondContact O-N 3.27Å; T22-E24 PolarHBondContact O-N 3.46Å; T22-N25 WeakPolarHBondContact O-CB 3.44Å; T22-N25 PolarHBondContact O-N 2.82Å; T22-N25 VanDerWaalsContact O-N 3.08Å; T22-N25 PolarHBondContact OG1-N 2.89Å; T22-N25 VanDerWaalsContact OG1-N 3.11Å; T22-N25 PolarHBondContact OG1-OD1 3.35Å; T22-N25 VanDerWaalsContact OG1-OD1 3.13Å; T22-V26 WeakPolarHBondContact O-CG2 3.34Å; T22-V26 PolarHBondContact O-N 3.38Å; T22-D52 WeakPolarHBondContact CB-O 3.3Å; T22-R54 CarbonylContact C-O 3.45Å; T22-R54 WeakPolarHBondContact CA-O 3.36Å |
| 23 | I | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.7 | -32.7 | 173.4 | -60.5 | -54.1 | 0 | 0 | 0 | 110.7 | V26 K27 L43 L50 E51 D52 R54 L56 Y59 | I23-V26 PolarHBondContact O-N 3.16Å; I23-K27 WeakPolarHBondContact O-CG 3.43Å; I23-K27 PolarHBondContact O-N 3.23Å; I23-L43 HydrophobicContact CG2-CD1 4.14Å; I23-L50 HydrophobicContact CB-CB 4.49Å; I23-L50 HydrophobicContact CD1-CB 3.86Å; I23-L50 HydrophobicContact CD1-CD1 3.7Å; I23-L50 HydrophobicContact CD1-CG 4.36Å; I23-L50 HydrophobicContact CG1-CB 3.8Å; I23-L50 HydrophobicContact CG2-CB 3.9Å; I23-E51 VanDerWaalsContact CB-O 3.3Å; I23-E51 WeakPolarHBondContact CB-O 3.26Å; I23-E51 VanDerWaalsContact CG1-O 3.23Å; I23-E51 WeakPolarHBondContact CG1-O 3.45Å; I23-D52 PolarHBondContact N-O 2.89Å; I23-R54 WeakPolarHBondContact CG1-O 3.41Å; I23-R54 PolarHBondContact N-O 3.41Å; I23-L56 HydrophobicContact CD1-CD2 3.99Å; I23-Y59 HydrophobicContact CD1-CD2 4.17Å; I23-Y59 HydrophobicContact CD1-CE2 4.21Å; I23-Y59 HydrophobicContact CG1-CD2 4.41Å; I23-Y59 HydrophobicContact CG1-CE2 3.97Å |
| 24 | E | 97 | Very high | 96.3 | Very high | 115 Ų | 115 | 53.4 Ų | 53.4 | 54% | 0.537 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.2 | -47.9 | 169.8 | -170.4 | 172.2 | -158.7 | 0 | 0 | 112.2 | T22 V26 K27 A28 D52 | T22-E24 PolarHBondContact O-N 3.46Å; E24-V26 VanDerWaalsContact C-N 3.28Å; E24-V26 PolarHBondContact O-N 3.16Å; E24-K27 WeakPolarHBondContact O-CB 3.4Å; E24-K27 PolarHBondContact O-N 3.28Å; E24-K27 VanDerWaalsContact O-N 3.11Å; E24-A28 PolarHBondContact O-N 3.45Å; E24-D52 HydrophobicContact CB-CB 4.22Å; E24-D52 PolarHBondContact N-O 2.95Å; E24-D52 VanDerWaalsContact N-O 3.11Å |
| 25 | N | 97.7 | Very high | 95.8 | Very high | 70 Ų | 70 | 53.1 Ų | 53.1 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 175.5 | -65.7 | -5.7 | 0 | 0 | 0 | 111.8 | D21 T22 K27 A28 K29 | D21-N25 HydrophobicContact CB-CB 4.17Å; D21-N25 PolarHBondContact OD1-ND2 2.88Å; T22-N25 WeakPolarHBondContact O-CB 3.44Å; T22-N25 PolarHBondContact O-N 2.82Å; T22-N25 VanDerWaalsContact O-N 3.08Å; T22-N25 PolarHBondContact OG1-N 2.89Å; T22-N25 VanDerWaalsContact OG1-N 3.11Å; T22-N25 PolarHBondContact OG1-OD1 3.35Å; T22-N25 VanDerWaalsContact OG1-OD1 3.13Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 3.39Å; N25-A28 PolarHBondContact O-N 2.96Å; N25-K29 WeakPolarHBondContact O-CG 3.36Å; N25-K29 PolarHBondContact O-N 3.02Å |
| 26 | V | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 177.7 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | I3 L15 V17 D21 T22 I23 E24 K29 I30 L43 L56 | I3-V26 HydrophobicContact CD1-CG1 4.42Å; L15-V26 HydrophobicContact CD1-CG1 3.91Å; V17-V26 HydrophobicContact CG1-CG2 4.29Å; D21-V26 HydrophobicContact CB-CG2 4.34Å; T22-V26 WeakPolarHBondContact O-CG2 3.34Å; T22-V26 PolarHBondContact O-N 3.38Å; I23-V26 PolarHBondContact O-N 3.16Å; E24-V26 VanDerWaalsContact C-N 3.28Å; E24-V26 PolarHBondContact O-N 3.16Å; V26-K29 PolarHBondContact O-N 3.08Å; V26-I30 HydrophobicContact CG1-CD1 4.25Å; V26-I30 WeakPolarHBondContact O-CG1 3.28Å; V26-I30 PolarHBondContact O-N 3.45Å; V26-L43 HydrophobicContact CB-CD1 4.29Å; V26-L43 HydrophobicContact CG1-CD1 3.76Å; V26-L56 HydrophobicContact CG2-CD1 4.03Å; V26-L56 HydrophobicContact CG2-CD2 3.93Å; V26-L56 HydrophobicContact CG2-CG 4.04Å |
| 27 | K | 96.6 | Very high | 94.9 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 2% | 0.022 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 175.5 | -70.4 | 173 | 171.4 | -166.5 | 0 | 112.3 | I23 E24 N25 K29 I30 Q31 P38 Q41 L43 D52 | I23-K27 WeakPolarHBondContact O-CG 3.43Å; I23-K27 PolarHBondContact O-N 3.23Å; E24-K27 WeakPolarHBondContact O-CB 3.4Å; E24-K27 PolarHBondContact O-N 3.28Å; E24-K27 VanDerWaalsContact O-N 3.11Å; N25-K27 VanDerWaalsContact C-N 3.33Å; N25-K27 PolarHBondContact O-N 3.39Å; K27-K29 VanDerWaalsContact C-N 3.31Å; K27-K29 PolarHBondContact O-N 3.49Å; K27-I30 WeakPolarHBondContact O-CB 3.49Å; K27-I30 PolarHBondContact O-N 2.97Å; K27-I30 VanDerWaalsContact O-N 3.08Å; K27-Q31 PolarHBondContact O-N 2.79Å; K27-P38 HydrophobicContact CB-CB 3.81Å; K27-P38 HydrophobicContact CB-CG 4.24Å; K27-P38 HydrophobicContact CD-CB 4.07Å; K27-P38 WeakPolarHBondContact CD-O 3.21Å; K27-P38 PolarHBondContact NZ-O 3.37Å; K27-P38 VanDerWaalsContact NZ-O 3.12Å; K27-Q41 VanDerWaalsContact CA-OE1 3.24Å; K27-Q41 HydrophobicContact CD-CB 4.29Å; K27-Q41 VanDerWaalsContact CE-O 3.25Å; K27-Q41 WeakPolarHBondContact CE-O 3.49Å; K27-Q41 HydrophobicContact CG-CB 4.03Å; K27-Q41 PolarHBondContact NZ-O 3.18Å; K27-Q41 PolarHBondContact O-NE2 2.77Å; K27-Q41 PolarHBondContact O-OE1 2.79Å; K27-L43 HydrophobicContact CG-CD1 3.9Å; K27-L43 HydrophobicContact CG-CG 4.41Å; K27-D52 WeakPolarHBondContact CE-OD1 3.38Å; K27-D52 IonicContact NZ-OD1 3.3Å; K27-D52 PolarHBondContact NZ-OD1 2.83Å; K27-D52 IonicContact NZ-OD2 2.78Å; K27-D52 PolarHBondContact NZ-OD2 3.09Å |
| 28 | A | 95.1 | Very high | 94.6 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | E24 N25 I30 Q31 D32 | E24-A28 PolarHBondContact O-N 3.45Å; N25-A28 PolarHBondContact O-N 2.96Å; A28-I30 VanDerWaalsContact C-N 3.25Å; A28-I30 PolarHBondContact O-N 2.7Å; A28-Q31 WeakPolarHBondContact O-CA 3.38Å; A28-Q31 VanDerWaalsContact O-CB 3.3Å; A28-Q31 WeakPolarHBondContact O-CB 3.08Å; A28-Q31 PolarHBondContact O-N 3.34Å; A28-D32 VanDerWaalsContact O-CG 3.27Å; A28-D32 PolarHBondContact O-N 2.94Å |
| 29 | K | 97.5 | Very high | 94.1 | Very high | 69 Ų | 69 | 46.7 Ų | 46.7 | 30% | 0.3 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.4 | -31.3 | 174.9 | -68.2 | 167.7 | -175.9 | -85.1 | 0 | 113.5 | L15 E16 V17 D21 N25 V26 K27 K33 | L15-K29 HydrophobicContact CD2-CB 4.24Å; E16-K29 PolarHBondContact O-NZ 2.94Å; V17-K29 HydrophobicContact CG1-CD 4.04Å; D21-K29 WeakPolarHBondContact OD2-CE 3.49Å; D21-K29 IonicContact OD2-NZ 2.97Å; N25-K29 WeakPolarHBondContact O-CG 3.36Å; N25-K29 PolarHBondContact O-N 3.02Å; V26-K29 PolarHBondContact O-N 3.08Å; K27-K29 VanDerWaalsContact C-N 3.31Å; K27-K29 PolarHBondContact O-N 3.49Å; K29-K33 WeakPolarHBondContact O-CG 3.33Å; K29-K33 PolarHBondContact O-N 3.05Å |
| 30 | I | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73.8 | -40.1 | 173.9 | -66.3 | 162.9 | 0 | 0 | 0 | 110.3 | V5 L15 V26 K27 A28 D32 K33 E34 Q41 L43 L69 | V5-I30 HydrophobicContact CG1-CD1 4.12Å; V5-I30 HydrophobicContact CG2-CD1 4.09Å; V5-I30 HydrophobicContact CG2-CG1 4.46Å; L15-I30 HydrophobicContact CD1-CD1 4.2Å; L15-I30 HydrophobicContact CD1-CG1 3.65Å; L15-I30 HydrophobicContact CD2-CG1 4.47Å; V26-I30 HydrophobicContact CG1-CD1 4.25Å; V26-I30 WeakPolarHBondContact O-CG1 3.28Å; V26-I30 PolarHBondContact O-N 3.45Å; K27-I30 WeakPolarHBondContact O-CB 3.49Å; K27-I30 PolarHBondContact O-N 2.97Å; K27-I30 VanDerWaalsContact O-N 3.08Å; A28-I30 VanDerWaalsContact C-N 3.25Å; A28-I30 PolarHBondContact O-N 2.7Å; I30-D32 VanDerWaalsContact C-N 3.32Å; I30-D32 PolarHBondContact O-N 3.11Å; I30-K33 PolarHBondContact O-N 3.33Å; I30-E34 HydrophobicContact CG2-CB 4.4Å; I30-E34 HydrophobicContact CG2-CG 4.38Å; I30-E34 WeakPolarHBondContact O-CB 3.26Å; I30-E34 PolarHBondContact O-N 3.11Å; I30-Q41 VanDerWaalsContact CB-OE1 3.27Å; I30-Q41 VanDerWaalsContact CD1-OE1 3.24Å; I30-L43 HydrophobicContact CD1-CD1 4Å; I30-L43 HydrophobicContact CD1-CD2 3.66Å; I30-L43 HydrophobicContact CD1-CG 4.37Å; I30-L69 HydrophobicContact CG2-CD2 4.01Å |
| 31 | Q | 92.6 | Very high | 93.5 | Very high | 35 Ų | 35 | 41.6 Ų | 41.6 | 16% | 0.164 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 174.5 | -179.7 | -179.3 | 22.6 | 0 | 0 | 110.5 | K27 A28 K33 E34 G35 I36 P38 E94 | K27-Q31 PolarHBondContact O-N 2.79Å; A28-Q31 WeakPolarHBondContact O-CA 3.38Å; A28-Q31 VanDerWaalsContact O-CB 3.3Å; A28-Q31 WeakPolarHBondContact O-CB 3.08Å; A28-Q31 PolarHBondContact O-N 3.34Å; Q31-K33 PolarHBondContact O-N 3.32Å; Q31-E34 PolarHBondContact O-N 3.28Å; Q31-G35 WeakPolarHBondContact O-CA 3.47Å; Q31-G35 PolarHBondContact O-N 2.94Å; Q31-I36 VanDerWaalsContact CA-O 3.32Å; Q31-I36 WeakPolarHBondContact CA-O 3.48Å; Q31-I36 VanDerWaalsContact CB-O 3.24Å; Q31-I36 WeakPolarHBondContact CB-O 3.41Å; Q31-P38 VanDerWaalsContact CD-CD 3.43Å; Q31-P38 VanDerWaalsContact OE1-CD 3.24Å; Q31-E94 PolarHBondContact NE2-OE2 3.33Å |
| 32 | D | 88.8 | Confident | 93.4 | Very high | 133 Ų | 133 | 45.3 Ų | 45.3 | 71% | 0.711 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -59.9 | -32.4 | 177.9 | -63.9 | -23.9 | 0 | 0 | 0 | 112.6 | A28 I30 | A28-D32 VanDerWaalsContact O-CG 3.27Å; A28-D32 PolarHBondContact O-N 2.94Å; I30-D32 VanDerWaalsContact C-N 3.32Å; I30-D32 PolarHBondContact O-N 3.11Å |
| 33 | K | 91.7 | Very high | 93.3 | Very high | 123 Ų | 123 | 43.7 Ų | 43.7 | 54% | 0.535 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -90.9 | -33.5 | -178.1 | -73.8 | -158.6 | 176.9 | -152.3 | 0 | 114.9 | I13 T14 L15 K29 I30 Q31 | I13-K33 HydrophobicContact CG2-CB 4.41Å; I13-K33 HydrophobicContact CG2-CD 3.9Å; T14-K33 PolarHBondContact O-NZ 2.91Å; L15-K33 HydrophobicContact CD2-CD 3.8Å; K29-K33 WeakPolarHBondContact O-CG 3.33Å; K29-K33 PolarHBondContact O-N 3.05Å; I30-K33 PolarHBondContact O-N 3.33Å; Q31-K33 PolarHBondContact O-N 3.32Å |
| 34 | E | 90.9 | Very high | 93.3 | Very high | 57 Ų | 57 | 45.4 Ų | 45.4 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -123.6 | -3.4 | -167.7 | -59.5 | -69.9 | 133.9 | 0 | 0 | 112.9 | K11 I13 I30 Q31 I36 | K11-E34 WeakPolarHBondContact CE-OE1 3.29Å; K11-E34 WeakPolarHBondContact CE-OE2 3.5Å; K11-E34 IonicContact NZ-OE1 2.66Å; K11-E34 PolarHBondContact NZ-OE1 3.25Å; K11-E34 IonicContact NZ-OE2 2.79Å; K11-E34 PolarHBondContact NZ-OE2 3.03Å; I13-E34 HydrophobicContact CD1-CG 3.51Å; I13-E34 HydrophobicContact CG1-CG 3.99Å; I30-E34 HydrophobicContact CG2-CB 4.4Å; I30-E34 HydrophobicContact CG2-CG 4.38Å; I30-E34 WeakPolarHBondContact O-CB 3.26Å; I30-E34 PolarHBondContact O-N 3.11Å; Q31-E34 PolarHBondContact O-N 3.28Å; E34-I36 HydrophobicContact CB-CD1 3.9Å; E34-I36 HydrophobicContact CB-CG1 3.85Å; E34-I36 WeakPolarHBondContact O-CG1 3.42Å; E34-I36 PolarHBondContact O-N 3.34Å |
| 35 | G | 87.6 | Confident | 93.4 | Very high | 51 Ų | 51 | 42 Ų | 42 | 53% | 0.526 | 22% | 0.22 | S | C | . | . | trans | 70.4 | 11 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q31 P37 | Q31-G35 WeakPolarHBondContact O-CA 3.47Å; Q31-G35 PolarHBondContact O-N 2.94Å; G35-P37 WeakPolarHBondContact O-CD 3.39Å | ||
| 36 | I | 88.6 | Confident | 93.3 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 14% | 0.144 | 24% | 0.235 | C | C | . | . | trans | -90.6 | 119.5 | -173 | -53.1 | -179.9 | 0 | 0 | 0 | 109.8 | Q31 E34 Q40 Q41 L69 L71 | Q31-I36 VanDerWaalsContact CA-O 3.32Å; Q31-I36 WeakPolarHBondContact CA-O 3.48Å; Q31-I36 VanDerWaalsContact CB-O 3.24Å; Q31-I36 WeakPolarHBondContact CB-O 3.41Å; E34-I36 HydrophobicContact CB-CD1 3.9Å; E34-I36 HydrophobicContact CB-CG1 3.85Å; E34-I36 WeakPolarHBondContact O-CG1 3.42Å; E34-I36 PolarHBondContact O-N 3.34Å; I36-Q40 HydrophobicContact CG2-CB 4.37Å; I36-Q41 HydrophobicContact CB-CG 4.3Å; I36-Q41 HydrophobicContact CG2-CG 3.68Å; I36-Q41 PolarHBondContact O-NE2 3.21Å; I36-L69 HydrophobicContact CD1-CD2 4.14Å; I36-L71 HydrophobicContact CD1-CD1 4.46Å; I36-L71 HydrophobicContact CD1-CD2 3.84Å; I36-L71 HydrophobicContact CG2-CD2 3.61Å | ||
| 37 | P | 88.6 | Confident | 93.1 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.032 | 27% | 0.273 | C | S | . | . | trans | -59.7 | 137.5 | 178.6 | -28.1 | 38.1 | 0 | 0 | 0 | 114.1 | G35 D39 Q40 Q41 | G35-P37 WeakPolarHBondContact O-CD 3.39Å; P37-D39 VanDerWaalsContact C-N 3.28Å; P37-D39 WeakPolarHBondContact CB-OD1 3.26Å; P37-D39 PolarHBondContact O-N 2.86Å; P37-Q40 HydrophobicContact CB-CG 4.26Å; P37-Q40 WeakPolarHBondContact O-CA 3.21Å; P37-Q40 WeakPolarHBondContact O-CB 3.39Å; P37-Q40 PolarHBondContact O-N 2.72Å; P37-Q41 WeakPolarHBondContact O-CG 3.4Å; P37-Q41 PolarHBondContact O-N 2.99Å | ||
| 38 | P | 91.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 10% | 0.104 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -36.2 | -179.9 | -32 | 35.4 | 0 | 0 | 0 | 116.1 | K27 Q31 Q40 Q41 E94 | K27-P38 HydrophobicContact CB-CB 3.81Å; K27-P38 HydrophobicContact CB-CG 4.24Å; K27-P38 HydrophobicContact CD-CB 4.07Å; K27-P38 WeakPolarHBondContact CD-O 3.21Å; K27-P38 PolarHBondContact NZ-O 3.37Å; K27-P38 VanDerWaalsContact NZ-O 3.12Å; Q31-P38 VanDerWaalsContact CD-CD 3.43Å; Q31-P38 VanDerWaalsContact OE1-CD 3.24Å; P38-Q40 VanDerWaalsContact C-N 3.29Å; P38-Q40 PolarHBondContact O-N 3.48Å; P38-Q41 WeakPolarHBondContact O-CB 3.23Å; P38-Q41 PolarHBondContact O-N 2.9Å; P38-Q41 VanDerWaalsContact O-N 3.12Å; P38-E94 WeakPolarHBondContact CD-OE1 3.46Å; P38-E94 WeakPolarHBondContact CD-OE2 3.22Å |
| 39 | D | 87.3 | Confident | 93.1 | Very high | 44 Ų | 44 | 54.9 Ų | 54.9 | 24% | 0.235 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -27.7 | 177.5 | 67.6 | -29.8 | 0 | 0 | 0 | 113.1 | P37 G76 | P37-D39 VanDerWaalsContact C-N 3.28Å; P37-D39 WeakPolarHBondContact CB-OD1 3.26Å; P37-D39 PolarHBondContact O-N 2.86Å; D39-G76 WeakPolarHBondContact OD2-CA 3.41Å |
| 40 | Q | 90 | Very high | 93.2 | Very high | 34 Ų | 34 | 51.8 Ų | 51.8 | 16% | 0.159 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -16.4 | 171.3 | -61.4 | -173 | -1.8 | 0 | 0 | 112.8 | I36 P37 P38 L71 R72 E92 | I36-Q40 HydrophobicContact CG2-CB 4.37Å; P37-Q40 HydrophobicContact CB-CG 4.26Å; P37-Q40 WeakPolarHBondContact O-CA 3.21Å; P37-Q40 WeakPolarHBondContact O-CB 3.39Å; P37-Q40 PolarHBondContact O-N 2.72Å; P38-Q40 VanDerWaalsContact C-N 3.29Å; P38-Q40 PolarHBondContact O-N 3.48Å; Q40-L71 CarbonylContact O-C 3.59Å; Q40-L71 WeakPolarHBondContact O-CA 3.43Å; Q40-R72 PolarHBondContact O-N 2.79Å; Q40-E92 VanDerWaalsContact NE2-CB 3.3Å; Q40-E92 PolarHBondContact NE2-OE2 2.94Å; Q40-E92 VanDerWaalsContact NE2-OE2 3.16Å |
| 41 | Q | 93.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.3 | -179.3 | -63.3 | 179.3 | 40.7 | 0 | 0 | 111.9 | K27 I30 I36 P37 P38 L69 | K27-Q41 VanDerWaalsContact CA-OE1 3.24Å; K27-Q41 HydrophobicContact CD-CB 4.29Å; K27-Q41 VanDerWaalsContact CE-O 3.25Å; K27-Q41 WeakPolarHBondContact CE-O 3.49Å; K27-Q41 HydrophobicContact CG-CB 4.03Å; K27-Q41 PolarHBondContact NZ-O 3.18Å; K27-Q41 PolarHBondContact O-NE2 2.77Å; K27-Q41 PolarHBondContact O-OE1 2.79Å; I30-Q41 VanDerWaalsContact CB-OE1 3.27Å; I30-Q41 VanDerWaalsContact CD1-OE1 3.24Å; I36-Q41 HydrophobicContact CB-CG 4.3Å; I36-Q41 HydrophobicContact CG2-CG 3.68Å; I36-Q41 PolarHBondContact O-NE2 3.21Å; P37-Q41 WeakPolarHBondContact O-CG 3.4Å; P37-Q41 PolarHBondContact O-N 2.99Å; P38-Q41 WeakPolarHBondContact O-CB 3.23Å; P38-Q41 PolarHBondContact O-N 2.9Å; P38-Q41 VanDerWaalsContact O-N 3.12Å; Q41-L69 HydrophobicContact CB-CD1 3.73Å; Q41-L69 HydrophobicContact CG-CD1 3.92Å |
| 42 | R | 95.1 | Very high | 93.4 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 36% | 0.362 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 105.7 | 167.1 | -172 | -172.4 | -170.3 | -173.4 | 2.2 | 109.4 | I44 Q49 V70 R72 | R42-I44 HydrophobicContact CG-CG1 4.39Å; R42-Q49 HydrophobicContact CG-CG 4.01Å; R42-V70 WeakPolarHBondContact CA-O 2.89Å; R42-V70 HydrophobicContact CB-CB 4.26Å; R42-V70 VanDerWaalsContact CB-O 3.22Å; R42-V70 WeakPolarHBondContact CB-O 3.26Å; R42-V70 PolarHBondContact N-O 3.01Å; R42-V70 PolarHBondContact O-N 2.91Å; R42-R72 HydrophobicContact CB-CG 4.29Å |
| 43 | L | 97.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 135.6 | 175 | -62.3 | 178.7 | 0 | 0 | 0 | 110.8 | V5 I23 V26 K27 I30 L50 L67 H68 L69 | V5-L43 HydrophobicContact CG1-CD2 4.18Å; I23-L43 HydrophobicContact CG2-CD1 4.14Å; V26-L43 HydrophobicContact CB-CD1 4.29Å; V26-L43 HydrophobicContact CG1-CD1 3.76Å; K27-L43 HydrophobicContact CG-CD1 3.9Å; K27-L43 HydrophobicContact CG-CG 4.41Å; I30-L43 HydrophobicContact CD1-CD1 4Å; I30-L43 HydrophobicContact CD1-CD2 3.66Å; I30-L43 HydrophobicContact CD1-CG 4.37Å; L43-L50 HydrophobicContact CB-CB 4.4Å; L43-L50 HydrophobicContact CB-CD1 4.07Å; L43-L50 HydrophobicContact CB-CG 4.38Å; L43-L50 PolarHBondContact O-N 2.98Å; L43-L67 HydrophobicContact CD1-CD2 4.4Å; L43-H68 CarbonylContact C-O 3.53Å; L43-H68 WeakPolarHBondContact CA-O 3.25Å; L43-L69 HydrophobicContact CD2-CB 4.12Å; L43-L69 HydrophobicContact CD2-CD1 3.81Å |
| 44 | I | 98.2 | Very high | 94.1 | Very high | 36 Ų | 36 | 54.3 Ų | 54.3 | 19% | 0.185 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 132.2 | -177.7 | -58.4 | 170.7 | 0 | 0 | 0 | 108.7 | R42 K48 H68 V70 | R42-I44 HydrophobicContact CG-CG1 4.39Å; I44-K48 CarbonylContact C-O 3.44Å; I44-K48 VanDerWaalsContact CA-O 3.26Å; I44-K48 WeakPolarHBondContact CA-O 3.46Å; I44-H68 HydrophobicContact CB-CB 4.28Å; I44-H68 PolarHBondContact N-O 3.02Å; I44-H68 PolarHBondContact O-N 3.31Å; I44-V70 HydrophobicContact CD1-CB 4.44Å; I44-V70 HydrophobicContact CD1-CG2 3.71Å |
| 45 | F | 98.3 | Very high | 94.4 | Very high | 44 Ų | 44 | 53.1 Ų | 53.1 | 19% | 0.193 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 137.5 | 173.1 | -179.6 | -107.9 | 0 | 0 | 0 | 110.1 | G47 K48 L50 I61 L67 | F45-G47 PolarHBondContact O-N 2.86Å; F45-G47 VanDerWaalsContact O-N 3.14Å; F45-K48 PolarHBondContact N-O 2.99Å; F45-K48 PolarHBondContact O-N 3.11Å; F45-L50 HydrophobicContact CB-CD1 4.04Å; F45-L50 HydrophobicContact CB-CD2 3.92Å; F45-L50 HydrophobicContact CB-CG 4.35Å; F45-I61 HydrophobicContact CB-CD1 4.37Å; F45-I61 HydrophobicContact CD1-CD1 4.15Å; F45-I61 HydrophobicContact CD1-CG1 3.63Å; F45-I61 HydrophobicContact CD2-CG1 4.43Å; F45-I61 HydrophobicContact CE1-CG1 3.7Å; F45-I61 HydrophobicContact CE2-CG1 4.5Å; F45-I61 HydrophobicContact CG-CD1 4.22Å; F45-I61 HydrophobicContact CG-CG1 4.01Å; F45-I61 HydrophobicContact CZ-CG1 4.15Å; F45-L67 HydrophobicContact CB-CG 4.4Å; F45-L67 HydrophobicContact CD2-CD1 4.31Å |
| 46 | A | 95.4 | Very high | 95 | Very high | 85 Ų | 85 | 50.7 Ų | 50.7 | 70% | 0.702 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 41.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K48 | A46-K48 PolarHBondContact O-N 2.76Š|
| 47 | G | 94.4 | Very high | 95.4 | Very high | 76 Ų | 76 | 52.3 Ų | 52.3 | 78% | 0.784 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | -0.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | F45 | F45-G47 PolarHBondContact O-N 2.86Å; F45-G47 VanDerWaalsContact O-N 3.14Å |
| 48 | K | 96.3 | Very high | 95.9 | Very high | 141 Ų | 141 | 56.6 Ų | 56.6 | 61% | 0.613 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137 | 178.4 | -64.6 | -176.7 | -179.8 | 179.4 | 0 | 110.9 | I44 F45 A46 | I44-K48 CarbonylContact C-O 3.44Å; I44-K48 VanDerWaalsContact CA-O 3.26Å; I44-K48 WeakPolarHBondContact CA-O 3.46Å; F45-K48 PolarHBondContact N-O 2.99Å; F45-K48 PolarHBondContact O-N 3.11Å; A46-K48 PolarHBondContact O-N 2.76Å |
| 49 | Q | 96.7 | Very high | 96.2 | Very high | 79 Ų | 79 | 57.4 Ų | 57.4 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 136.8 | 166.1 | 178.1 | -177.3 | -35.6 | 0 | 0 | 109.2 | R42 | R42-Q49 HydrophobicContact CG-CG 4.01Å |
| 50 | L | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | trans | -88.5 | 145.4 | 178.9 | -46.5 | -178.1 | 0 | 0 | 0 | 110.8 | I23 L43 F45 Y59 I61 L67 | I23-L50 HydrophobicContact CB-CB 4.49Å; I23-L50 HydrophobicContact CD1-CB 3.86Å; I23-L50 HydrophobicContact CD1-CD1 3.7Å; I23-L50 HydrophobicContact CD1-CG 4.36Å; I23-L50 HydrophobicContact CG1-CB 3.8Å; I23-L50 HydrophobicContact CG2-CB 3.9Å; L43-L50 HydrophobicContact CB-CB 4.4Å; L43-L50 HydrophobicContact CB-CD1 4.07Å; L43-L50 HydrophobicContact CB-CG 4.38Å; L43-L50 PolarHBondContact O-N 2.98Å; F45-L50 HydrophobicContact CB-CD1 4.04Å; F45-L50 HydrophobicContact CB-CD2 3.92Å; F45-L50 HydrophobicContact CB-CG 4.35Å; L50-Y59 HydrophobicContact CB-CE2 3.97Å; L50-Y59 HydrophobicContact CD2-CD1 3.65Å; L50-Y59 HydrophobicContact CD2-CD2 3.82Å; L50-Y59 HydrophobicContact CD2-CE1 3.69Å; L50-Y59 HydrophobicContact CD2-CE2 3.83Å; L50-Y59 HydrophobicContact CD2-CG 3.72Å; L50-Y59 HydrophobicContact CG-CE2 4.42Å; L50-I61 HydrophobicContact CD1-CD1 3.93Å; L50-L67 HydrophobicContact CD1-CD2 3.86Å; L50-L67 HydrophobicContact CD1-CG 4.28Å | ||
| 51 | E | 97.6 | Very high | 97 | Very high | 99 Ų | 99 | 59.5 Ų | 59.5 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | trans | -104.7 | 134.1 | -176.7 | -67.6 | 171.8 | -176.5 | 0 | 0 | 110.2 | I23 G53 R54 Y59 | I23-E51 VanDerWaalsContact CB-O 3.3Å; I23-E51 WeakPolarHBondContact CB-O 3.26Å; I23-E51 VanDerWaalsContact CG1-O 3.23Å; I23-E51 WeakPolarHBondContact CG1-O 3.45Å; E51-G53 VanDerWaalsContact C-N 3.3Å; E51-G53 PolarHBondContact O-N 3.24Å; E51-R54 HydrophobicContact CB-CG 4.23Å; E51-R54 PolarHBondContact O-N 2.9Å; E51-R54 IonicContact OE1-NH2 2.66Å; E51-R54 IonicContact OE2-CZ 3.25Å; E51-R54 VanDerWaalsContact OE2-CZ 3.26Å; E51-R54 IonicContact OE2-NE 2.79Å; E51-R54 PolarHBondContact OE2-NE 3.26Å; E51-R54 IonicContact OE2-NH2 2.67Å; E51-R54 PolarHBondContact OE2-NH2 3.09Å; E51-Y59 PolarHBondContact N-OH 3.2Å | ||
| 52 | D | 95.7 | Very high | 97.2 | Very high | 64 Ų | 64 | 64.8 Ų | 64.8 | 34% | 0.342 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -40.8 | -168.9 | -67.4 | 2.4 | 0 | 0 | 0 | 113.4 | T22 I23 E24 K27 R54 | T22-D52 WeakPolarHBondContact CB-O 3.3Å; I23-D52 PolarHBondContact N-O 2.89Å; E24-D52 HydrophobicContact CB-CB 4.22Å; E24-D52 PolarHBondContact N-O 2.95Å; E24-D52 VanDerWaalsContact N-O 3.11Å; K27-D52 WeakPolarHBondContact CE-OD1 3.38Å; K27-D52 IonicContact NZ-OD1 3.3Å; K27-D52 PolarHBondContact NZ-OD1 2.83Å; K27-D52 IonicContact NZ-OD2 2.78Å; K27-D52 PolarHBondContact NZ-OD2 3.09Å; D52-R54 VanDerWaalsContact C-N 3.33Å; D52-R54 PolarHBondContact O-N 2.89Å |
| 53 | G | 97 | Very high | 97.3 | Very high | 72 Ų | 72 | 66.5 Ų | 66.5 | 74% | 0.742 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -1.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | E51 | E51-G53 VanDerWaalsContact C-N 3.3Å; E51-G53 PolarHBondContact O-N 3.24Å |
| 54 | R | 98.2 | Very high | 97.3 | Very high | 109 Ų | 109 | 72.1 Ų | 72.1 | 41% | 0.411 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -94.9 | 156 | 175.8 | -65.2 | -159.2 | -158.3 | -159.8 | -1.6 | 111.1 | T22 I23 E51 D52 D58 Y59 | T22-R54 CarbonylContact C-O 3.45Å; T22-R54 WeakPolarHBondContact CA-O 3.36Å; I23-R54 WeakPolarHBondContact CG1-O 3.41Å; I23-R54 PolarHBondContact N-O 3.41Å; E51-R54 HydrophobicContact CB-CG 4.23Å; E51-R54 PolarHBondContact O-N 2.9Å; E51-R54 IonicContact OE1-NH2 2.66Å; E51-R54 IonicContact OE2-CZ 3.25Å; E51-R54 VanDerWaalsContact OE2-CZ 3.26Å; E51-R54 IonicContact OE2-NE 2.79Å; E51-R54 PolarHBondContact OE2-NE 3.26Å; E51-R54 IonicContact OE2-NH2 2.67Å; E51-R54 PolarHBondContact OE2-NH2 3.09Å; D52-R54 VanDerWaalsContact C-N 3.33Å; D52-R54 PolarHBondContact O-N 2.89Å; R54-D58 HydrophobicContact CB-CB 4.27Å; R54-Y59 HydrophobicContact CB-CD2 4.38Å; R54-Y59 HydrophobicContact CB-CE2 3.6Å; R54-Y59 WeakPolarHBondContact CD-OH 3.38Å; R54-Y59 HydrophobicContact CG-CE2 4.35Å |
| 55 | T | 98.4 | Very high | 97.3 | Very high | 32 Ų | 32 | 71.4 Ų | 71.4 | 20% | 0.196 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -88.6 | 163.3 | 177 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | S20 D21 S57 D58 Y59 | S20-T55 WeakPolarHBondContact O-CG2 3.48Å; D21-T55 CarbonylContact O-C 3.56Å; D21-T55 VanDerWaalsContact O-CA 3.24Å; D21-T55 WeakPolarHBondContact O-CA 3.12Å; T55-S57 PolarHBondContact O-N 2.93Å; T55-D58 PolarHBondContact N-OD2 2.88Å; T55-D58 WeakPolarHBondContact O-CB 3.46Å; T55-D58 PolarHBondContact O-N 3.21Å; T55-D58 PolarHBondContact OG1-N 3.12Å; T55-D58 VanDerWaalsContact OG1-N 3.16Å; T55-D58 PolarHBondContact OG1-OD2 3.21Å; T55-Y59 WeakPolarHBondContact O-CD2 2.94Å |
| 56 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -38.8 | 169.2 | -70.6 | -178.9 | 0 | 0 | 0 | 112 | M1 I3 V17 P19 D21 I23 V26 D58 Y59 N60 I61 | M1-L56 HydrophobicContact CE-CD1 4.15Å; I3-L56 HydrophobicContact CD1-CD1 4.3Å; I3-L56 HydrophobicContact CD1-CD2 4.45Å; V17-L56 HydrophobicContact CB-CD1 3.59Å; V17-L56 HydrophobicContact CG1-CD1 4.18Å; V17-L56 HydrophobicContact CG2-CD1 3.41Å; V17-L56 VanDerWaalsContact CG2-CD1 3.41Å; P19-L56 PolarHBondContact O-N 3.16Å; D21-L56 HydrophobicContact CB-CD1 4.3Å; D21-L56 PolarHBondContact O-N 2.94Å; I23-L56 HydrophobicContact CD1-CD2 3.99Å; V26-L56 HydrophobicContact CG2-CD1 4.03Å; V26-L56 HydrophobicContact CG2-CD2 3.93Å; V26-L56 HydrophobicContact CG2-CG 4.04Å; L56-D58 VanDerWaalsContact C-N 3.32Å; L56-D58 PolarHBondContact O-N 2.92Å; L56-Y59 PolarHBondContact O-N 2.87Å; L56-N60 PolarHBondContact O-N 3.18Å; L56-I61 HydrophobicContact CB-CB 4.23Å; L56-I61 HydrophobicContact CD2-CB 4.18Å; L56-I61 HydrophobicContact CD2-CD1 3.55Å; L56-I61 HydrophobicContact CD2-CG1 4.45Å; L56-I61 HydrophobicContact CD2-CG2 4.09Å; L56-I61 WeakPolarHBondContact O-CB 3.47Å; L56-I61 PolarHBondContact O-N 3.35Å |
| 57 | S | 97.8 | Very high | 97.4 | Very high | 62 Ų | 62 | 68 Ų | 68 | 43% | 0.434 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -63.2 | -35.7 | 177.4 | -169.4 | 0 | 0 | 0 | 0 | 112.5 | P19 T55 Y59 N60 | P19-S57 WeakPolarHBondContact O-CB 3.5Å; P19-S57 PolarHBondContact O-N 3.12Å; T55-S57 PolarHBondContact O-N 2.93Å; S57-Y59 PolarHBondContact O-N 3.31Å; S57-N60 PolarHBondContact O-N 3.26Å |
| 58 | D | 98.2 | Very high | 97.6 | Very high | 94 Ų | 94 | 68.9 Ų | 68.9 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -62.1 | -25.1 | 177.8 | -64.7 | -42 | 0 | 0 | 0 | 112.7 | R54 T55 L56 | R54-D58 HydrophobicContact CB-CB 4.27Å; T55-D58 PolarHBondContact N-OD2 2.88Å; T55-D58 WeakPolarHBondContact O-CB 3.46Å; T55-D58 PolarHBondContact O-N 3.21Å; T55-D58 PolarHBondContact OG1-N 3.12Å; T55-D58 VanDerWaalsContact OG1-N 3.16Å; T55-D58 PolarHBondContact OG1-OD2 3.21Å; L56-D58 VanDerWaalsContact C-N 3.32Å; L56-D58 PolarHBondContact O-N 2.92Å |
| 59 | Y | 98 | Very high | 97.6 | Very high | 34 Ų | 34 | 62.3 Ų | 62.3 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -98.4 | 6.4 | 175.8 | -67.7 | -71.3 | 0 | 0 | 0 | 113.6 | I23 L50 E51 R54 T55 L56 S57 I61 | I23-Y59 HydrophobicContact CD1-CD2 4.17Å; I23-Y59 HydrophobicContact CD1-CE2 4.21Å; I23-Y59 HydrophobicContact CG1-CD2 4.41Å; I23-Y59 HydrophobicContact CG1-CE2 3.97Å; L50-Y59 HydrophobicContact CB-CE2 3.97Å; L50-Y59 HydrophobicContact CD2-CD1 3.65Å; L50-Y59 HydrophobicContact CD2-CD2 3.82Å; L50-Y59 HydrophobicContact CD2-CE1 3.69Å; L50-Y59 HydrophobicContact CD2-CE2 3.83Å; L50-Y59 HydrophobicContact CD2-CG 3.72Å; L50-Y59 HydrophobicContact CG-CE2 4.42Å; E51-Y59 PolarHBondContact N-OH 3.2Å; R54-Y59 HydrophobicContact CB-CD2 4.38Å; R54-Y59 HydrophobicContact CB-CE2 3.6Å; R54-Y59 WeakPolarHBondContact CD-OH 3.38Å; R54-Y59 HydrophobicContact CG-CE2 4.35Å; T55-Y59 WeakPolarHBondContact O-CD2 2.94Å; L56-Y59 PolarHBondContact O-N 2.87Å; S57-Y59 PolarHBondContact O-N 3.31Å; Y59-I61 PolarHBondContact O-N 3.44Å |
| 60 | N | 97.2 | Very high | 97.5 | Very high | 120 Ų | 120 | 60.4 Ų | 60.4 | 64% | 0.642 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 34.7 | -172.7 | -62.1 | -58.5 | 0 | 0 | 0 | 112.7 | L56 S57 Q62 | L56-N60 PolarHBondContact O-N 3.18Å; S57-N60 PolarHBondContact O-N 3.26Å; N60-Q62 PolarHBondContact O-N 3.08Å |
| 61 | I | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | trans | -73.9 | 120.8 | 175.4 | -66.1 | 167.1 | 0 | 0 | 0 | 107.4 | M1 I3 F45 L50 L56 Y59 L67 | M1-I61 WeakPolarHBondContact CE-O 3.45Å; I3-I61 HydrophobicContact CG2-CG2 4.03Å; F45-I61 HydrophobicContact CB-CD1 4.37Å; F45-I61 HydrophobicContact CD1-CD1 4.15Å; F45-I61 HydrophobicContact CD1-CG1 3.63Å; F45-I61 HydrophobicContact CD2-CG1 4.43Å; F45-I61 HydrophobicContact CE1-CG1 3.7Å; F45-I61 HydrophobicContact CE2-CG1 4.5Å; F45-I61 HydrophobicContact CG-CD1 4.22Å; F45-I61 HydrophobicContact CG-CG1 4.01Å; F45-I61 HydrophobicContact CZ-CG1 4.15Å; L50-I61 HydrophobicContact CD1-CD1 3.93Å; L56-I61 HydrophobicContact CB-CB 4.23Å; L56-I61 HydrophobicContact CD2-CB 4.18Å; L56-I61 HydrophobicContact CD2-CD1 3.55Å; L56-I61 HydrophobicContact CD2-CG1 4.45Å; L56-I61 HydrophobicContact CD2-CG2 4.09Å; L56-I61 WeakPolarHBondContact O-CB 3.47Å; L56-I61 PolarHBondContact O-N 3.35Å; Y59-I61 PolarHBondContact O-N 3.44Å; I61-L67 HydrophobicContact CD1-CD1 4.21Å; I61-L67 HydrophobicContact CD1-CD2 4.33Å; I61-L67 HydrophobicContact CD1-CG 4.36Å; I61-L67 HydrophobicContact CG2-CD1 3.97Å | ||
| 62 | Q | 96.7 | Very high | 96.5 | Very high | 111 Ų | 111 | 64.5 Ų | 64.5 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | trans | -107.6 | 172 | -177.5 | -61.2 | -57.4 | -38.3 | 0 | 0 | 111.1 | N60 E64 S65 | N60-Q62 PolarHBondContact O-N 3.08Å; Q62-E64 PolarHBondContact O-N 2.86Å; Q62-S65 PolarHBondContact N-OG 2.82Å; Q62-S65 WeakPolarHBondContact O-CB 3.3Å; Q62-S65 PolarHBondContact O-N 3.08Å; Q62-S65 PolarHBondContact O-OG 3.14Å | ||
| 63 | K | 97.5 | Very high | 95.3 | Very high | 133 Ų | 133 | 69 Ų | 69 | 58% | 0.578 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.1 | 139 | 167.6 | -175.5 | -175.4 | 174 | -161.9 | 0 | 110.3 | M1 S65 | M1-K63 HydrophobicContact CB-CB 4.34Å; M1-K63 HydrophobicContact SD-CB 4.46Å; M1-K63 PolarHBondContact SD-N 3.19Å; K63-S65 PolarHBondContact O-N 3.44Å; K63-S65 VanDerWaalsContact O-N 3.16Å |
| 64 | E | 97.6 | Very high | 93.8 | Very high | 119 Ų | 119 | 76.8 Ų | 76.8 | 56% | 0.556 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 7.3 | -179.2 | -68.5 | 160.7 | -149.9 | 0 | 0 | 115.3 | Q2 F4 Q62 | Q2-E64 PolarHBondContact O-N 2.79Å; F4-E64 HydrophobicContact CE2-CB 4.06Å; F4-E64 HydrophobicContact CE2-CG 4.04Å; Q62-E64 PolarHBondContact O-N 2.86Å |
| 65 | S | 98.1 | Very high | 92.3 | Very high | 21 Ų | 21 | 74.2 Ų | 74.2 | 15% | 0.147 | 38% | 0.375 | C | S | . | . | trans | -62.4 | 145.7 | 171 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | F4 Q62 K63 | F4-S65 PolarHBondContact N-O 3.5Å; Q62-S65 PolarHBondContact N-OG 2.82Å; Q62-S65 WeakPolarHBondContact O-CB 3.3Å; Q62-S65 PolarHBondContact O-N 3.08Å; Q62-S65 PolarHBondContact O-OG 3.14Å; K63-S65 PolarHBondContact O-N 3.44Å; K63-S65 VanDerWaalsContact O-N 3.16Å | ||
| 66 | T | 98.1 | Very high | 91.3 | Very high | 56 Ų | 56 | 73 Ų | 73 | 34% | 0.344 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 115.7 | 176.9 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | F4 K6 | F4-T66 HydrophobicContact CB-CG2 4.3Å; F4-T66 CarbonylContact O-C 3.54Å; F4-T66 WeakPolarHBondContact O-CA 3.21Å; K6-T66 HydrophobicContact CB-CG2 3.96Å |
| 67 | L | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 153.5 | 170.2 | -71.2 | 61.4 | 0 | 0 | 0 | 108.6 | I3 F4 V5 K6 L43 F45 L50 I61 | I3-L67 HydrophobicContact CD1-CD1 3.99Å; I3-L67 HydrophobicContact CD1-CD2 4.16Å; F4-L67 PolarHBondContact O-N 2.89Å; V5-L67 CarbonylContact C-O 3.59Å; V5-L67 WeakPolarHBondContact CA-O 3.24Å; V5-L67 HydrophobicContact CG2-CB 4.34Å; K6-L67 PolarHBondContact N-O 3.23Å; L43-L67 HydrophobicContact CD1-CD2 4.4Å; F45-L67 HydrophobicContact CB-CG 4.4Å; F45-L67 HydrophobicContact CD2-CD1 4.31Å; L50-L67 HydrophobicContact CD1-CD2 3.86Å; L50-L67 HydrophobicContact CD1-CG 4.28Å; I61-L67 HydrophobicContact CD1-CD1 4.21Å; I61-L67 HydrophobicContact CD1-CD2 4.33Å; I61-L67 HydrophobicContact CD1-CG 4.36Å; I61-L67 HydrophobicContact CG2-CD1 3.97Å |
| 68 | H | 98.2 | Very high | 90.7 | Very high | 95 Ų | 95 | 74.4 Ų | 74.4 | 44% | 0.44 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129 | 173.5 | -66.1 | 73.9 | 0 | 0 | 0 | 109.4 | K6 L43 I44 | K6-H68 WeakPolarHBondContact O-CA 3.16Å; L43-H68 CarbonylContact C-O 3.53Å; L43-H68 WeakPolarHBondContact CA-O 3.25Å; I44-H68 HydrophobicContact CB-CB 4.28Å; I44-H68 PolarHBondContact N-O 3.02Å; I44-H68 PolarHBondContact O-N 3.31Å |
| 69 | L | 96.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 69.9 Ų | 69.9 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122.6 | 175.1 | 174.8 | 63.7 | 0 | 0 | 0 | 110.1 | V5 K6 T7 I30 I36 Q41 L43 L71 | V5-L69 HydrophobicContact CG1-CB 3.57Å; V5-L69 HydrophobicContact CG1-CD2 4.47Å; K6-L69 PolarHBondContact O-N 3.06Å; T7-L69 HydrophobicContact CG2-CD2 4.41Å; I30-L69 HydrophobicContact CG2-CD2 4.01Å; I36-L69 HydrophobicContact CD1-CD2 4.14Å; Q41-L69 HydrophobicContact CB-CD1 3.73Å; Q41-L69 HydrophobicContact CG-CD1 3.92Å; L43-L69 HydrophobicContact CD2-CB 4.12Å; L43-L69 HydrophobicContact CD2-CD1 3.81Å; L69-L71 HydrophobicContact CD1-CD2 4.3Å; L69-L71 HydrophobicContact CD2-CD2 4.18Å; L69-L71 HydrophobicContact CG-CD2 4.14Å |
| 70 | V | 94 | Very high | 90.6 | Very high | 38 Ų | 38 | 70.8 Ų | 70.8 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131 | 170.5 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | L8 R42 I44 | L8-V70 HydrophobicContact CD1-CG1 4.28Å; L8-V70 HydrophobicContact CD1-CG2 4.47Å; L8-V70 HydrophobicContact CD2-CG2 4.18Å; L8-V70 HydrophobicContact CG-CG2 4.41Å; R42-V70 WeakPolarHBondContact CA-O 2.89Å; R42-V70 HydrophobicContact CB-CB 4.26Å; R42-V70 VanDerWaalsContact CB-O 3.22Å; R42-V70 WeakPolarHBondContact CB-O 3.26Å; R42-V70 PolarHBondContact N-O 3.01Å; R42-V70 PolarHBondContact O-N 2.91Å; I44-V70 HydrophobicContact CD1-CB 4.44Å; I44-V70 HydrophobicContact CD1-CG2 3.71Å |
| 71 | L | 90.9 | Very high | 90.7 | Very high | 87 Ų | 87 | 65 Ų | 65 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 133.8 | 178.6 | -56.2 | -176.6 | 0 | 0 | 0 | 110.9 | I36 Q40 L69 | I36-L71 HydrophobicContact CD1-CD1 4.46Å; I36-L71 HydrophobicContact CD1-CD2 3.84Å; I36-L71 HydrophobicContact CG2-CD2 3.61Å; Q40-L71 CarbonylContact O-C 3.59Å; Q40-L71 WeakPolarHBondContact O-CA 3.43Å; L69-L71 HydrophobicContact CD1-CD2 4.3Å; L69-L71 HydrophobicContact CD2-CD2 4.18Å; L69-L71 HydrophobicContact CG-CD2 4.14Å |
| 72 | R | 83.6 | Confident | 90.7 | Very high | 102 Ų | 102 | 69.1 Ų | 69.1 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | trans | -89.2 | 122.9 | 170.9 | -64.3 | 177 | 171.1 | 172.6 | -1 | 108.6 | Q40 R42 | Q40-R72 PolarHBondContact O-N 2.79Å; R42-R72 HydrophobicContact CB-CG 4.29Å | ||
| 73 | L | 69.9 | Low | 90.6 | Very high | 158 Ų | 158 | 65 Ų | 65 | 83% | 0.827 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -80.6 | -12.2 | -172.7 | -68 | 171.1 | 0 | 0 | 0 | 115.2 | ||
| 74 | R | 64.8 | Low | 90.3 | Very high | 236 Ų | 236 | 65.3 Ų | 65.3 | 89% | 0.891 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -146.4 | 20.2 | -162.5 | -62.5 | -169.4 | -178.3 | -177.9 | 0.8 | 116.3 | ||
| 75 | G | 67.4 | Low | 89.9 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 58% | 0.577 | 34% | 0.338 | S | S | * | . | trans | -99.7 | -17.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 76 | G | 77.8 | Confident | 89.7 | Confident | 6 Ų | 6 | 67.4 Ų | 67.4 | 6% | 0.062 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -96.2 | 169.2 | -157.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | D39 Q78 | D39-G76 WeakPolarHBondContact OD2-CA 3.41Å; G76-Q78 PolarHBondContact O-N 2.75Å |
| 77 | M | 90.2 | Very high | 89.5 | Confident | 30 Ų | 30 | 69.6 Ų | 69.6 | 15% | 0.148 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 115.1 | 168.8 | 165.6 | 165.4 | 164.6 | 0 | 0 | 108.5 | I79 V93 P95 I137 Q138 K139 | M77-I79 HydrophobicContact CE-CG2 4.09Å; M77-V93 WeakPolarHBondContact CB-O 3.18Å; M77-V93 HydrophobicContact CE-CG2 4.17Å; M77-V93 HydrophobicContact CG-CG2 4.06Å; M77-V93 PolarHBondContact O-N 3.16Å; M77-P95 HydrophobicContact SD-CG 3.86Å; M77-I137 WeakPolarHBondContact CE-O 3.34Å; M77-Q138 VanDerWaalsContact CE-C 3.47Å; M77-K139 HydrophobicContact CG-CB 4.1Å |
| 78 | Q | 92.8 | Very high | 89.5 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 29% | 0.285 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 143 | 174.3 | -70.9 | 177 | 17.6 | 0 | 0 | 110.3 | G76 T90 L91 E92 E140 | G76-Q78 PolarHBondContact O-N 2.75Å; Q78-T90 HydrophobicContact CB-CG2 4.1Å; Q78-T90 HydrophobicContact CG-CG2 4.04Å; Q78-T90 VanDerWaalsContact OE1-CG2 3.29Å; Q78-L91 CarbonylContact C-O 3.58Å; Q78-L91 VanDerWaalsContact CA-O 3.24Å; Q78-L91 WeakPolarHBondContact CA-O 3.38Å; Q78-E92 VanDerWaalsContact CD-OE1 3.22Å; Q78-E92 VanDerWaalsContact CG-CD 3.45Å; Q78-E92 HydrophobicContact CG-CG 4.49Å; Q78-E92 WeakPolarHBondContact CG-OE1 3.48Å; Q78-E92 PolarHBondContact NE2-OE1 2.91Å; Q78-E140 PolarHBondContact O-N 3.42Å |
| 79 | I | 97.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 165.6 | 163.6 | 64.1 | 171.4 | 0 | 0 | 0 | 109.3 | M77 L91 V93 V102 L132 I137 L143 | M77-I79 HydrophobicContact CE-CG2 4.09Å; I79-L91 HydrophobicContact CG1-CB 4Å; I79-L91 PolarHBondContact N-O 3.04Å; I79-L91 PolarHBondContact O-N 3.16Å; I79-V93 HydrophobicContact CB-CG2 4.25Å; I79-V93 HydrophobicContact CD1-CG1 3.91Å; I79-V93 HydrophobicContact CD1-CG2 4.03Å; I79-V93 HydrophobicContact CG1-CG1 3.92Å; I79-V93 HydrophobicContact CG1-CG2 3.77Å; I79-V93 HydrophobicContact CG2-CG2 3.68Å; I79-V102 HydrophobicContact CD1-CG1 4.33Å; I79-L132 HydrophobicContact CD1-CD1 4.18Å; I79-L132 HydrophobicContact CD1-CD2 4.29Å; I79-I137 HydrophobicContact CG2-CG2 3.97Å; I79-L143 HydrophobicContact CD1-CD1 4.02Å; I79-L143 HydrophobicContact CD1-CD2 4.12Å |
| 80 | F | 98.2 | Very high | 89.3 | Confident | 52 Ų | 52 | 70.9 Ų | 70.9 | 23% | 0.228 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 142 | 177.7 | -57.1 | -73 | 0 | 0 | 0 | 110.3 | T88 I89 T90 E140 S141 T142 L143 | F80-T88 HydrophobicContact CB-CG2 3.85Å; F80-T88 HydrophobicContact CD1-CG2 3.93Å; F80-T88 HydrophobicContact CG-CG2 4.22Å; F80-I89 CarbonylContact C-O 3.57Å; F80-I89 WeakPolarHBondContact CA-O 3.42Å; F80-T90 HydrophobicContact CD1-CG2 4.35Å; F80-T90 HydrophobicContact CE1-CG2 4.04Å; F80-E140 HydrophobicContact CE2-CB 4.01Å; F80-E140 HydrophobicContact CE2-CG 4.03Å; F80-S141 PolarHBondContact N-O 2.93Å; F80-T142 HydrophobicContact CB-CG2 4.31Å; F80-T142 CarbonylContact O-C 3.57Å; F80-T142 VanDerWaalsContact O-CA 3.3Å; F80-T142 WeakPolarHBondContact O-CA 3.33Å; F80-L143 PolarHBondContact O-N 3.27Å |
| 81 | V | 98.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 114.5 | 173.1 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | T88 I89 L91 I106 L119 L143 L145 | V81-T88 WeakPolarHBondContact O-CA 3.34Å; V81-I89 HydrophobicContact CB-CB 4.34Å; V81-I89 PolarHBondContact N-O 3.33Å; V81-I89 PolarHBondContact O-N 2.93Å; V81-L91 HydrophobicContact CG2-CD1 3.51Å; V81-L91 HydrophobicContact CG2-CG 4.12Å; V81-I106 HydrophobicContact CG1-CD1 4.16Å; V81-I106 HydrophobicContact CG2-CD1 4.11Å; V81-L119 HydrophobicContact CG1-CD2 4.2Å; V81-L143 CarbonylContact C-O 3.51Å; V81-L143 WeakPolarHBondContact CA-O 3.42Å; V81-L143 HydrophobicContact CG2-CB 4.33Å; V81-L145 HydrophobicContact CG1-CB 3.54Å; V81-L145 HydrophobicContact CG1-CD2 4.46Å |
| 82 | K | 98 | Very high | 89.4 | Confident | 87 Ų | 87 | 66.8 Ų | 66.8 | 38% | 0.378 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.9 | 175.8 | -76.5 | -174.4 | -180 | -179 | 0 | 110.5 | K87 T88 T142 L143 H144 L145 | K82-K87 WeakPolarHBondContact CA-O 3.34Å; K82-T88 HydrophobicContact CG-CG2 4.42Å; K82-T142 HydrophobicContact CB-CG2 4.28Å; K82-T142 HydrophobicContact CD-CG2 3.72Å; K82-T142 HydrophobicContact CG-CG2 3.68Å; K82-L143 PolarHBondContact N-O 2.9Å; K82-H144 CarbonylContact O-C 3.56Å; K82-H144 WeakPolarHBondContact O-CA 3.2Å; K82-L145 PolarHBondContact O-N 3.43Å |
| 83 | T | 94.5 | Very high | 89.8 | Confident | 25 Ų | 25 | 62 Ų | 62 | 15% | 0.153 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 164.9 | 172.6 | 71.3 | 0 | 0 | 0 | 0 | 110.8 | T85 G86 K87 I89 L145 | T83-T85 PolarHBondContact O-N 2.73Å; T83-T85 PolarHBondContact OG1-N 2.75Å; T83-T85 PolarHBondContact OG1-OG1 3.39Å; T83-G86 PolarHBondContact O-N 2.98Å; T83-K87 HydrophobicContact CG2-CB 4.22Å; T83-K87 PolarHBondContact N-O 2.77Å; T83-K87 WeakPolarHBondContact OG1-CB 3.1Å; T83-K87 PolarHBondContact OG1-N 2.82Å; T83-K87 VanDerWaalsContact OG1-N 3.16Å; T83-K87 PolarHBondContact OG1-O 2.86Å; T83-I89 HydrophobicContact CG2-CD1 3.79Å; T83-L145 HydrophobicContact CG2-CD2 4.49Å |
| 84 | L | 90.9 | Very high | 90.9 | Very high | 139 Ų | 139 | 56.2 Ų | 56.2 | 73% | 0.728 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.9 | 171.4 | -69.3 | -179.8 | 0 | 0 | 0 | 113.9 | G86 V146 | L84-G86 VanDerWaalsContact C-N 3.26Å; L84-V146 HydrophobicContact CD1-CG1 4.22Å; L84-V146 HydrophobicContact CD2-CG2 4.04Å; L84-V146 HydrophobicContact CG-CG2 4.34Å |
| 85 | T | 90.7 | Very high | 92.3 | Very high | 129 Ų | 129 | 48.1 Ų | 48.1 | 79% | 0.791 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -2.4 | 176.5 | 59 | 0 | 0 | 0 | 0 | 112.9 | T83 K87 | T83-T85 PolarHBondContact O-N 2.73Å; T83-T85 PolarHBondContact OG1-N 2.75Å; T83-T85 PolarHBondContact OG1-OG1 3.39Å; T85-K87 VanDerWaalsContact C-N 3.33Å |
| 86 | G | 92.2 | Very high | 93.5 | Very high | 55 Ų | 55 | 49.2 Ų | 49.2 | 57% | 0.567 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 85.9 | -2.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T83 L84 T88 | T83-G86 PolarHBondContact O-N 2.98Å; L84-G86 VanDerWaalsContact C-N 3.26Å; G86-T88 PolarHBondContact O-N 2.9Å |
| 87 | K | 95.7 | Very high | 94.3 | Very high | 101 Ų | 101 | 49 Ų | 49 | 44% | 0.439 | 28% | 0.278 | S | S | . | . | trans | -63.8 | 134.7 | 172.4 | -176.4 | -179 | 173 | -171 | 0 | 109 | K82 T83 T85 E110 | K82-K87 WeakPolarHBondContact CA-O 3.34Å; T83-K87 HydrophobicContact CG2-CB 4.22Å; T83-K87 PolarHBondContact N-O 2.77Å; T83-K87 WeakPolarHBondContact OG1-CB 3.1Å; T83-K87 PolarHBondContact OG1-N 2.82Å; T83-K87 VanDerWaalsContact OG1-N 3.16Å; T83-K87 PolarHBondContact OG1-O 2.86Å; T85-K87 VanDerWaalsContact C-N 3.33Å; K87-E110 WeakPolarHBondContact CE-OE1 3.39Å; K87-E110 IonicContact NZ-OE1 3.41Å; K87-E110 PolarHBondContact NZ-OE1 2.8Å; K87-E110 IonicContact NZ-OE2 2.7Å; K87-E110 PolarHBondContact NZ-OE2 2.88Å | ||
| 88 | T | 97.2 | Very high | 94.6 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.7 | 174.4 | -58.2 | 0 | 0 | 0 | 0 | 109.2 | F80 V81 K82 G86 | F80-T88 HydrophobicContact CB-CG2 3.85Å; F80-T88 HydrophobicContact CD1-CG2 3.93Å; F80-T88 HydrophobicContact CG-CG2 4.22Å; V81-T88 WeakPolarHBondContact O-CA 3.34Å; K82-T88 HydrophobicContact CG-CG2 4.42Å; G86-T88 PolarHBondContact O-N 2.9Å |
| 89 | I | 96.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.8 | 178.1 | -55.8 | 150.2 | 0 | 0 | 0 | 107.2 | F80 V81 T83 L91 K109 E110 | F80-I89 CarbonylContact C-O 3.57Å; F80-I89 WeakPolarHBondContact CA-O 3.42Å; V81-I89 HydrophobicContact CB-CB 4.34Å; V81-I89 PolarHBondContact N-O 3.33Å; V81-I89 PolarHBondContact O-N 2.93Å; T83-I89 HydrophobicContact CG2-CD1 3.79Å; I89-L91 HydrophobicContact CG2-CD2 3.96Å; I89-L91 HydrophobicContact CG2-CG 4.46Å; I89-K109 HydrophobicContact CG2-CB 4.48Å; I89-K109 HydrophobicContact CG2-CD 4.02Å; I89-E110 HydrophobicContact CD1-CG 3.5Å; I89-E110 HydrophobicContact CG1-CG 4.06Å |
| 90 | T | 95.1 | Very high | 94.9 | Very high | 53 Ų | 53 | 52 Ų | 52 | 33% | 0.325 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 129.4 | 173 | -52.9 | 0 | 0 | 0 | 0 | 109.3 | Q78 F80 K109 | Q78-T90 HydrophobicContact CB-CG2 4.1Å; Q78-T90 HydrophobicContact CG-CG2 4.04Å; Q78-T90 VanDerWaalsContact OE1-CG2 3.29Å; F80-T90 HydrophobicContact CD1-CG2 4.35Å; F80-T90 HydrophobicContact CE1-CG2 4.04Å; T90-K109 PolarHBondContact O-NZ 2.92Å |
| 91 | L | 94 | Very high | 94.7 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 140.4 | 174.7 | -59.7 | 178.9 | 0 | 0 | 0 | 110.4 | Q78 I79 V81 I89 V93 V102 K105 I106 K109 | Q78-L91 CarbonylContact C-O 3.58Å; Q78-L91 VanDerWaalsContact CA-O 3.24Å; Q78-L91 WeakPolarHBondContact CA-O 3.38Å; I79-L91 HydrophobicContact CG1-CB 4Å; I79-L91 PolarHBondContact N-O 3.04Å; I79-L91 PolarHBondContact O-N 3.16Å; V81-L91 HydrophobicContact CG2-CD1 3.51Å; V81-L91 HydrophobicContact CG2-CG 4.12Å; I89-L91 HydrophobicContact CG2-CD2 3.96Å; I89-L91 HydrophobicContact CG2-CG 4.46Å; L91-V93 HydrophobicContact CB-CG1 3.93Å; L91-V102 HydrophobicContact CD1-CG1 3.86Å; L91-K105 HydrophobicContact CD2-CB 4.26Å; L91-I106 HydrophobicContact CD1-CD1 4.05Å; L91-I106 HydrophobicContact CD1-CG1 3.54Å; L91-I106 HydrophobicContact CD2-CG1 4.25Å; L91-I106 HydrophobicContact CG-CG1 4.45Å; L91-K109 HydrophobicContact CD2-CD 3.89Å |
| 92 | E | 92.2 | Very high | 94.6 | Very high | 38 Ų | 38 | 52.8 Ų | 52.8 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.1 | 171 | -64.3 | -75.4 | 168.1 | 0 | 0 | 107.9 | Q40 Q78 K105 | Q40-E92 VanDerWaalsContact NE2-CB 3.3Å; Q40-E92 PolarHBondContact NE2-OE2 2.94Å; Q40-E92 VanDerWaalsContact NE2-OE2 3.16Å; Q78-E92 VanDerWaalsContact CD-OE1 3.22Å; Q78-E92 VanDerWaalsContact CG-CD 3.45Å; Q78-E92 HydrophobicContact CG-CG 4.49Å; Q78-E92 WeakPolarHBondContact CG-OE1 3.48Å; Q78-E92 PolarHBondContact NE2-OE1 2.91Å; E92-K105 PolarHBondContact O-NZ 2.85Å |
| 93 | V | 93 | Very high | 94.6 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 160.4 | -168.5 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | M77 I79 L91 D97 V102 K105 L132 | M77-V93 WeakPolarHBondContact CB-O 3.18Å; M77-V93 HydrophobicContact CE-CG2 4.17Å; M77-V93 HydrophobicContact CG-CG2 4.06Å; M77-V93 PolarHBondContact O-N 3.16Å; I79-V93 HydrophobicContact CB-CG2 4.25Å; I79-V93 HydrophobicContact CD1-CG1 3.91Å; I79-V93 HydrophobicContact CD1-CG2 4.03Å; I79-V93 HydrophobicContact CG1-CG1 3.92Å; I79-V93 HydrophobicContact CG1-CG2 3.77Å; I79-V93 HydrophobicContact CG2-CG2 3.68Å; L91-V93 HydrophobicContact CB-CG1 3.93Å; V93-D97 WeakPolarHBondContact CA-OD2 3.23Å; V93-D97 WeakPolarHBondContact CB-OD2 3.44Å; V93-V102 HydrophobicContact CG1-CG2 4.35Å; V93-K105 HydrophobicContact CG1-CD 4.12Å; V93-L132 HydrophobicContact CB-CD1 3.58Å; V93-L132 HydrophobicContact CG1-CD1 4.13Å; V93-L132 HydrophobicContact CG2-CD1 3.45Å; V93-L132 VanDerWaalsContact CG2-CD1 3.45Å |
| 94 | E | 92.5 | Very high | 94.5 | Very high | 35 Ų | 35 | 49.4 Ų | 49.4 | 16% | 0.164 | 29% | 0.29 | C | S | . | . | trans | -112.6 | 151.6 | 170.8 | -65.1 | -179.2 | 119.7 | 0 | 0 | 110.3 | Q31 P38 S96 D97 | Q31-E94 PolarHBondContact NE2-OE2 3.33Å; P38-E94 WeakPolarHBondContact CD-OE1 3.46Å; P38-E94 WeakPolarHBondContact CD-OE2 3.22Å; E94-S96 PolarHBondContact O-N 3.46Å; E94-S96 VanDerWaalsContact O-N 3.09Å; E94-D97 PolarHBondContact N-OD2 2.98Å; E94-D97 VanDerWaalsContact O-CB 3.29Å; E94-D97 WeakPolarHBondContact O-CB 3.41Å; E94-D97 PolarHBondContact O-N 2.94Å | ||
| 95 | P | 93.6 | Very high | 94.7 | Very high | 66 Ų | 66 | 44.3 Ų | 44.3 | 43% | 0.429 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -28.9 | 176.2 | -26.2 | 34.6 | 0 | 0 | 0 | 113.8 | M77 L132 S133 | M77-P95 HydrophobicContact SD-CG 3.86Å; P95-L132 PolarHBondContact O-N 2.99Å; P95-S133 VanDerWaalsContact O-CB 3.29Å; P95-S133 WeakPolarHBondContact O-CB 3.49Å; P95-S133 PolarHBondContact O-N 2.82Å; P95-S133 PolarHBondContact O-OG 3.12Å |
| 96 | S | 93.2 | Very high | 94.9 | Very high | 79 Ų | 79 | 38.2 Ų | 38.2 | 55% | 0.552 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -11.9 | 176.3 | 47.2 | 0 | 0 | 0 | 0 | 114.2 | E94 T98 T131 | E94-S96 PolarHBondContact O-N 3.46Å; E94-S96 VanDerWaalsContact O-N 3.09Å; S96-T98 PolarHBondContact O-N 3.36Å; S96-T131 WeakPolarHBondContact O-CG2 3.4Å |
| 97 | D | 95 | Very high | 94.9 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | trans | -58.8 | 128.7 | 177.7 | -84.6 | -31.3 | 0 | 0 | 0 | 109.6 | V93 E94 N101 V102 K105 T131 L132 | V93-D97 WeakPolarHBondContact CA-OD2 3.23Å; V93-D97 WeakPolarHBondContact CB-OD2 3.44Å; E94-D97 PolarHBondContact N-OD2 2.98Å; E94-D97 VanDerWaalsContact O-CB 3.29Å; E94-D97 WeakPolarHBondContact O-CB 3.41Å; E94-D97 PolarHBondContact O-N 2.94Å; D97-N101 HydrophobicContact CB-CB 4.36Å; D97-V102 HydrophobicContact CB-CG2 4.21Å; D97-K105 VanDerWaalsContact OD2-CE 3.23Å; D97-K105 WeakPolarHBondContact OD2-CE 3.37Å; D97-K105 IonicContact OD2-NZ 3.8Å; D97-T131 CarbonylContact O-C 3.59Å; D97-T131 WeakPolarHBondContact O-CA 3.41Å; D97-L132 HydrophobicContact CB-CD1 4.28Å; D97-L132 HydrophobicContact CB-CG 4.45Å; D97-L132 PolarHBondContact O-N 2.83Å | ||
| 98 | T | 97.1 | Very high | 94.5 | Very high | 35 Ų | 35 | 38 Ų | 38 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -69.6 | 158.3 | 170.5 | 63.5 | 0 | 0 | 0 | 0 | 110.3 | S96 E100 N101 V102 R130 | S96-T98 PolarHBondContact O-N 3.36Å; T98-E100 PolarHBondContact O-N 2.96Å; T98-N101 WeakPolarHBondContact O-CB 3.45Å; T98-N101 PolarHBondContact O-N 3.45Å; T98-N101 VanDerWaalsContact O-N 3.09Å; T98-N101 PolarHBondContact OG1-N 3.29Å; T98-N101 VanDerWaalsContact OG1-N 3.08Å; T98-N101 PolarHBondContact OG1-OD1 3.09Å; T98-V102 WeakPolarHBondContact O-CG2 3.3Å; T98-V102 PolarHBondContact O-N 2.76Å; T98-R130 CarbonylContact C-O 3.49Å; T98-R130 WeakPolarHBondContact CA-O 3.47Å |
| 99 | I | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -32.2 | 173.9 | -60.6 | -54.2 | 0 | 0 | 0 | 110.8 | V102 K103 L119 L126 E127 D128 R130 L132 Y135 | I99-V102 PolarHBondContact O-N 3.25Å; I99-K103 WeakPolarHBondContact O-CG 3.43Å; I99-K103 PolarHBondContact O-N 2.87Å; I99-L119 HydrophobicContact CG2-CD1 4.19Å; I99-L126 HydrophobicContact CB-CB 4.5Å; I99-L126 HydrophobicContact CD1-CB 3.97Å; I99-L126 HydrophobicContact CD1-CD1 3.66Å; I99-L126 HydrophobicContact CD1-CG 4.36Å; I99-L126 HydrophobicContact CG1-CB 3.9Å; I99-L126 HydrophobicContact CG2-CB 3.8Å; I99-E127 VanDerWaalsContact CB-O 3.26Å; I99-E127 WeakPolarHBondContact CB-O 3.45Å; I99-E127 VanDerWaalsContact CG1-O 3.23Å; I99-E127 WeakPolarHBondContact CG1-O 3.48Å; I99-D128 PolarHBondContact N-O 3.33Å; I99-R130 WeakPolarHBondContact CG1-O 3.42Å; I99-R130 PolarHBondContact N-O 3.35Å; I99-L132 HydrophobicContact CD1-CD2 3.98Å; I99-Y135 HydrophobicContact CD1-CD2 4.23Å; I99-Y135 HydrophobicContact CD1-CE2 4.31Å; I99-Y135 HydrophobicContact CG1-CD2 4.4Å; I99-Y135 HydrophobicContact CG1-CE2 4.01Å |
| 100 | E | 96.4 | Very high | 94 | Very high | 117 Ų | 117 | 42.8 Ų | 42.8 | 55% | 0.547 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.1 | -48.6 | 169.3 | -170.9 | 172 | -158.5 | 0 | 0 | 112.1 | T98 V102 K103 A104 D128 | T98-E100 PolarHBondContact O-N 2.96Å; E100-V102 VanDerWaalsContact C-N 3.3Å; E100-V102 PolarHBondContact O-N 3.23Å; E100-K103 WeakPolarHBondContact O-CB 3.41Å; E100-K103 PolarHBondContact O-N 3.47Å; E100-K103 VanDerWaalsContact O-N 3.11Å; E100-A104 PolarHBondContact O-N 2.89Å; E100-D128 HydrophobicContact CB-CB 4.19Å; E100-D128 PolarHBondContact N-O 2.66Å |
| 101 | N | 94.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 42.4 Ų | 42.4 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.4 | -41 | 176 | -67.8 | -4.6 | 0 | 0 | 0 | 111.7 | D97 T98 K103 A104 K105 | D97-N101 HydrophobicContact CB-CB 4.36Å; T98-N101 WeakPolarHBondContact O-CB 3.45Å; T98-N101 PolarHBondContact O-N 3.45Å; T98-N101 VanDerWaalsContact O-N 3.09Å; T98-N101 PolarHBondContact OG1-N 3.29Å; T98-N101 VanDerWaalsContact OG1-N 3.08Å; T98-N101 PolarHBondContact OG1-OD1 3.09Å; N101-K103 VanDerWaalsContact C-N 3.3Å; N101-K103 PolarHBondContact O-N 3.25Å; N101-A104 PolarHBondContact O-N 2.67Å; N101-K105 WeakPolarHBondContact O-CG 3.19Å; N101-K105 PolarHBondContact O-N 2.93Å |
| 102 | V | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -39.7 | 176.9 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | I79 L91 V93 D97 T98 I99 E100 K105 I106 L119 L132 | I79-V102 HydrophobicContact CD1-CG1 4.33Å; L91-V102 HydrophobicContact CD1-CG1 3.86Å; V93-V102 HydrophobicContact CG1-CG2 4.35Å; D97-V102 HydrophobicContact CB-CG2 4.21Å; T98-V102 WeakPolarHBondContact O-CG2 3.3Å; T98-V102 PolarHBondContact O-N 2.76Å; I99-V102 PolarHBondContact O-N 3.25Å; E100-V102 VanDerWaalsContact C-N 3.3Å; E100-V102 PolarHBondContact O-N 3.23Å; V102-K105 PolarHBondContact O-N 3.49Å; V102-I106 HydrophobicContact CG1-CD1 4.31Å; V102-I106 WeakPolarHBondContact O-CG1 3.4Å; V102-I106 PolarHBondContact O-N 2.84Å; V102-I106 VanDerWaalsContact O-N 3.08Å; V102-L119 HydrophobicContact CB-CD1 4.34Å; V102-L119 HydrophobicContact CG1-CD1 3.77Å; V102-L132 HydrophobicContact CG2-CD1 4.06Å; V102-L132 HydrophobicContact CG2-CD2 3.9Å; V102-L132 HydrophobicContact CG2-CG 4Å |
| 103 | K | 96.5 | Very high | 93.4 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.022 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 174.8 | -72.7 | 171.6 | 165 | -168.4 | 0 | 112.4 | I99 E100 N101 K105 I106 Q107 P114 Q117 L119 D128 | I99-K103 WeakPolarHBondContact O-CG 3.43Å; I99-K103 PolarHBondContact O-N 2.87Å; E100-K103 WeakPolarHBondContact O-CB 3.41Å; E100-K103 PolarHBondContact O-N 3.47Å; E100-K103 VanDerWaalsContact O-N 3.11Å; N101-K103 VanDerWaalsContact C-N 3.3Å; N101-K103 PolarHBondContact O-N 3.25Å; K103-K105 VanDerWaalsContact C-N 3.31Å; K103-K105 PolarHBondContact O-N 2.88Å; K103-I106 WeakPolarHBondContact O-CB 3.4Å; K103-I106 PolarHBondContact O-N 2.8Å; K103-I106 VanDerWaalsContact O-N 3.09Å; K103-Q107 PolarHBondContact O-N 2.72Å; K103-P114 HydrophobicContact CB-CB 3.87Å; K103-P114 HydrophobicContact CB-CG 4.33Å; K103-P114 HydrophobicContact CD-CB 4.25Å; K103-P114 WeakPolarHBondContact CD-O 3.46Å; K103-P114 PolarHBondContact NZ-O 2.79Å; K103-Q117 VanDerWaalsContact CA-OE1 3.26Å; K103-Q117 HydrophobicContact CD-CB 4.32Å; K103-Q117 WeakPolarHBondContact CE-O 3.35Å; K103-Q117 HydrophobicContact CG-CB 4.04Å; K103-Q117 PolarHBondContact NZ-O 3.22Å; K103-Q117 PolarHBondContact O-NE2 3.04Å; K103-Q117 PolarHBondContact O-OE1 3.35Å; K103-L119 HydrophobicContact CG-CD1 3.84Å; K103-L119 HydrophobicContact CG-CG 4.33Å; K103-D128 WeakPolarHBondContact CD-OD1 3.37Å; K103-D128 WeakPolarHBondContact CE-OD1 3.24Å; K103-D128 IonicContact NZ-OD1 3.56Å; K103-D128 PolarHBondContact NZ-OD1 2.78Å; K103-D128 IonicContact NZ-OD2 2.99Å; K103-D128 PolarHBondContact NZ-OD2 2.82Å |
| 104 | A | 93.3 | Very high | 93.3 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 29% | 0.289 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.8 | -44.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | E100 N101 I106 Q107 D108 | E100-A104 PolarHBondContact O-N 2.89Å; N101-A104 PolarHBondContact O-N 2.67Å; A104-I106 VanDerWaalsContact C-N 3.25Å; A104-I106 PolarHBondContact O-N 3.37Å; A104-Q107 WeakPolarHBondContact O-CA 3.48Å; A104-Q107 VanDerWaalsContact O-CB 3.27Å; A104-Q107 WeakPolarHBondContact O-CB 3.32Å; A104-Q107 PolarHBondContact O-N 2.77Å; A104-D108 PolarHBondContact O-N 3.18Å |
| 105 | K | 94.2 | Very high | 93.1 | Very high | 33 Ų | 33 | 43.4 Ų | 43.4 | 14% | 0.143 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -31.8 | 175.1 | -67.5 | 166.6 | -172.5 | -91.8 | 0 | 113.4 | L91 E92 V93 D97 N101 V102 K103 K109 | L91-K105 HydrophobicContact CD2-CB 4.26Å; E92-K105 PolarHBondContact O-NZ 2.85Å; V93-K105 HydrophobicContact CG1-CD 4.12Å; D97-K105 VanDerWaalsContact OD2-CE 3.23Å; D97-K105 WeakPolarHBondContact OD2-CE 3.37Å; D97-K105 IonicContact OD2-NZ 3.8Å; N101-K105 WeakPolarHBondContact O-CG 3.19Å; N101-K105 PolarHBondContact O-N 2.93Å; V102-K105 PolarHBondContact O-N 3.49Å; K103-K105 VanDerWaalsContact C-N 3.31Å; K103-K105 PolarHBondContact O-N 2.88Å; K105-K109 WeakPolarHBondContact O-CG 3.41Å; K105-K109 PolarHBondContact O-N 2.96Å |
| 106 | I | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.2 | -40.2 | 173.7 | -66.7 | 163.9 | 0 | 0 | 0 | 110.5 | V81 L91 V102 K103 A104 D108 K109 E110 Q117 L119 L145 | V81-I106 HydrophobicContact CG1-CD1 4.16Å; V81-I106 HydrophobicContact CG2-CD1 4.11Å; L91-I106 HydrophobicContact CD1-CD1 4.05Å; L91-I106 HydrophobicContact CD1-CG1 3.54Å; L91-I106 HydrophobicContact CD2-CG1 4.25Å; L91-I106 HydrophobicContact CG-CG1 4.45Å; V102-I106 HydrophobicContact CG1-CD1 4.31Å; V102-I106 WeakPolarHBondContact O-CG1 3.4Å; V102-I106 PolarHBondContact O-N 2.84Å; V102-I106 VanDerWaalsContact O-N 3.08Å; K103-I106 WeakPolarHBondContact O-CB 3.4Å; K103-I106 PolarHBondContact O-N 2.8Å; K103-I106 VanDerWaalsContact O-N 3.09Å; A104-I106 VanDerWaalsContact C-N 3.25Å; A104-I106 PolarHBondContact O-N 3.37Å; I106-D108 VanDerWaalsContact C-N 3.31Å; I106-D108 PolarHBondContact O-N 2.8Å; I106-K109 PolarHBondContact O-N 2.79Å; I106-E110 HydrophobicContact CG2-CB 4.46Å; I106-E110 HydrophobicContact CG2-CG 4.45Å; I106-E110 WeakPolarHBondContact O-CB 3.46Å; I106-E110 PolarHBondContact O-N 2.82Å; I106-Q117 VanDerWaalsContact CB-OE1 3.27Å; I106-Q117 VanDerWaalsContact CD1-OE1 3.31Å; I106-L119 HydrophobicContact CD1-CD1 3.98Å; I106-L119 HydrophobicContact CD1-CD2 3.61Å; I106-L119 HydrophobicContact CD1-CG 4.33Å; I106-L145 HydrophobicContact CG2-CD2 3.98Å |
| 107 | Q | 92.4 | Very high | 93.1 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 12% | 0.121 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.1 | -45.9 | 174.5 | -179.3 | -176.2 | 14.8 | 0 | 0 | 110.6 | K103 A104 K109 E110 G111 I112 P114 D173 | K103-Q107 PolarHBondContact O-N 2.72Å; A104-Q107 WeakPolarHBondContact O-CA 3.48Å; A104-Q107 VanDerWaalsContact O-CB 3.27Å; A104-Q107 WeakPolarHBondContact O-CB 3.32Å; A104-Q107 PolarHBondContact O-N 2.77Å; Q107-K109 PolarHBondContact O-N 2.89Å; Q107-E110 PolarHBondContact O-N 2.82Å; Q107-G111 WeakPolarHBondContact O-CA 3.32Å; Q107-G111 PolarHBondContact O-N 2.68Å; Q107-I112 WeakPolarHBondContact CA-O 3.4Å; Q107-I112 VanDerWaalsContact CB-O 3.23Å; Q107-I112 WeakPolarHBondContact CB-O 3.42Å; Q107-P114 VanDerWaalsContact CD-CD 3.49Å; Q107-D173 PolarHBondContact NE2-OD1 3.41Å |
| 108 | D | 87.7 | Confident | 93.2 | Very high | 127 Ų | 127 | 42.7 Ų | 42.7 | 68% | 0.679 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61 | -32.2 | 179 | -64.8 | -24.8 | 0 | 0 | 0 | 112.6 | A104 I106 | A104-D108 PolarHBondContact O-N 3.18Å; I106-D108 VanDerWaalsContact C-N 3.31Å; I106-D108 PolarHBondContact O-N 2.8Å |
| 109 | K | 91.5 | Very high | 93.2 | Very high | 114 Ų | 114 | 41.1 Ų | 41.1 | 50% | 0.496 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -89.8 | -33.3 | -178.9 | -70.9 | -161 | -179 | -161.6 | 0 | 114.6 | I89 T90 L91 K105 I106 Q107 | I89-K109 HydrophobicContact CG2-CB 4.48Å; I89-K109 HydrophobicContact CG2-CD 4.02Å; T90-K109 PolarHBondContact O-NZ 2.92Å; L91-K109 HydrophobicContact CD2-CD 3.89Å; K105-K109 WeakPolarHBondContact O-CG 3.41Å; K105-K109 PolarHBondContact O-N 2.96Å; I106-K109 PolarHBondContact O-N 2.79Å; Q107-K109 PolarHBondContact O-N 2.89Å |
| 110 | E | 92 | Very high | 93.2 | Very high | 60 Ų | 60 | 43 Ų | 43 | 28% | 0.28 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -123.3 | -4.5 | -168.3 | -59.9 | -68.1 | 134.1 | 0 | 0 | 113.5 | K87 I89 I106 Q107 I112 | K87-E110 WeakPolarHBondContact CE-OE1 3.39Å; K87-E110 IonicContact NZ-OE1 3.41Å; K87-E110 PolarHBondContact NZ-OE1 2.8Å; K87-E110 IonicContact NZ-OE2 2.7Å; K87-E110 PolarHBondContact NZ-OE2 2.88Å; I89-E110 HydrophobicContact CD1-CG 3.5Å; I89-E110 HydrophobicContact CG1-CG 4.06Å; I106-E110 HydrophobicContact CG2-CB 4.46Å; I106-E110 HydrophobicContact CG2-CG 4.45Å; I106-E110 WeakPolarHBondContact O-CB 3.46Å; I106-E110 PolarHBondContact O-N 2.82Å; Q107-E110 PolarHBondContact O-N 2.82Å; E110-I112 HydrophobicContact CB-CD1 3.68Å; E110-I112 HydrophobicContact CB-CG1 4.06Å; E110-I112 PolarHBondContact O-N 2.91Å |
| 111 | G | 88.3 | Confident | 93.3 | Very high | 44 Ų | 44 | 39.5 Ų | 39.5 | 45% | 0.454 | 21% | 0.206 | S | C | . | . | trans | 71.6 | 10.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q107 P113 | Q107-G111 WeakPolarHBondContact O-CA 3.32Å; Q107-G111 PolarHBondContact O-N 2.68Å; G111-P113 WeakPolarHBondContact O-CD 3.39Å | ||
| 112 | I | 89.3 | Confident | 93.4 | Very high | 27 Ų | 27 | 40.1 Ų | 40.1 | 14% | 0.138 | 22% | 0.221 | C | C | . | . | trans | -89 | 119.9 | -174.8 | -57.9 | 158.3 | 0 | 0 | 0 | 109.6 | Q107 E110 Q116 Q117 L145 L147 | Q107-I112 WeakPolarHBondContact CA-O 3.4Å; Q107-I112 VanDerWaalsContact CB-O 3.23Å; Q107-I112 WeakPolarHBondContact CB-O 3.42Å; E110-I112 HydrophobicContact CB-CD1 3.68Å; E110-I112 HydrophobicContact CB-CG1 4.06Å; E110-I112 PolarHBondContact O-N 2.91Å; I112-Q116 HydrophobicContact CG2-CB 4.34Å; I112-Q117 HydrophobicContact CB-CG 4.29Å; I112-Q117 HydrophobicContact CG2-CG 3.62Å; I112-Q117 PolarHBondContact O-NE2 3.43Å; I112-L145 HydrophobicContact CD1-CD2 4.02Å; I112-L147 HydrophobicContact CD1-CD2 3.99Å; I112-L147 HydrophobicContact CG1-CD2 4.38Å; I112-L147 HydrophobicContact CG2-CD2 3.58Å | ||
| 113 | P | 89.7 | Confident | 93.3 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | trans | -58.9 | 136.9 | 178 | -28.2 | 38.1 | 0 | 0 | 0 | 114.1 | G111 D115 Q116 Q117 E168 E170 | G111-P113 WeakPolarHBondContact O-CD 3.39Å; P113-D115 VanDerWaalsContact C-N 3.28Å; P113-D115 WeakPolarHBondContact CB-OD1 3.21Å; P113-D115 PolarHBondContact O-N 2.79Å; P113-Q116 HydrophobicContact CB-CG 4.27Å; P113-Q116 WeakPolarHBondContact O-CB 3.47Å; P113-Q116 PolarHBondContact O-N 3.24Å; P113-Q117 WeakPolarHBondContact O-CG 3.45Å; P113-Q117 PolarHBondContact O-N 3.09Å; P113-E168 HydrophobicContact CG-CB 4.25Å; P113-E170 HydrophobicContact CB-CG 4.48Å | ||
| 114 | P | 92.1 | Very high | 93.3 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -49.8 | -38.1 | 179.6 | -32.1 | 34.1 | 0 | 0 | 0 | 116 | K103 Q107 Q116 Q117 E170 | K103-P114 HydrophobicContact CB-CB 3.87Å; K103-P114 HydrophobicContact CB-CG 4.33Å; K103-P114 HydrophobicContact CD-CB 4.25Å; K103-P114 WeakPolarHBondContact CD-O 3.46Å; K103-P114 PolarHBondContact NZ-O 2.79Å; Q107-P114 VanDerWaalsContact CD-CD 3.49Å; P114-Q116 VanDerWaalsContact C-N 3.29Å; P114-Q116 PolarHBondContact O-N 2.71Å; P114-Q117 WeakPolarHBondContact O-CB 3.08Å; P114-Q117 PolarHBondContact O-N 3.08Å; P114-Q117 VanDerWaalsContact O-N 3.12Å; P114-E170 WeakPolarHBondContact CD-OE1 3.25Å; P114-E170 WeakPolarHBondContact CD-OE2 3.48Å |
| 115 | D | 88.8 | Confident | 93.5 | Very high | 50 Ų | 50 | 52.5 Ų | 52.5 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -66.5 | -29.3 | 178.1 | 74 | -39 | 0 | 0 | 0 | 113.3 | P113 R148 G152 E170 | P113-D115 VanDerWaalsContact C-N 3.28Å; P113-D115 WeakPolarHBondContact CB-OD1 3.21Å; P113-D115 PolarHBondContact O-N 2.79Å; D115-R148 WeakPolarHBondContact O-CD 3.37Å; D115-R148 PolarHBondContact O-NH1 3.46Å; D115-G152 WeakPolarHBondContact OD2-CA 3.3Å; D115-E170 PolarHBondContact N-OE1 2.88Å |
| 116 | Q | 91.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -81.2 | -16 | 173.5 | -62.2 | -175.8 | 5.5 | 0 | 0 | 112.8 | I112 P113 P114 R148 E168 | I112-Q116 HydrophobicContact CG2-CB 4.34Å; P113-Q116 HydrophobicContact CB-CG 4.27Å; P113-Q116 WeakPolarHBondContact O-CB 3.47Å; P113-Q116 PolarHBondContact O-N 3.24Å; P114-Q116 VanDerWaalsContact C-N 3.29Å; P114-Q116 PolarHBondContact O-N 2.71Å; Q116-R148 PolarHBondContact O-N 3.47Å; Q116-E168 VanDerWaalsContact NE2-CD 3.34Å; Q116-E168 PolarHBondContact NE2-OE2 3.4Å |
| 117 | Q | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 128.3 | -179.6 | -62.6 | 179.1 | 40.9 | 0 | 0 | 111.7 | K103 I106 I112 P113 P114 L145 | K103-Q117 VanDerWaalsContact CA-OE1 3.26Å; K103-Q117 HydrophobicContact CD-CB 4.32Å; K103-Q117 WeakPolarHBondContact CE-O 3.35Å; K103-Q117 HydrophobicContact CG-CB 4.04Å; K103-Q117 PolarHBondContact NZ-O 3.22Å; K103-Q117 PolarHBondContact O-NE2 3.04Å; K103-Q117 PolarHBondContact O-OE1 3.35Å; I106-Q117 VanDerWaalsContact CB-OE1 3.27Å; I106-Q117 VanDerWaalsContact CD1-OE1 3.31Å; I112-Q117 HydrophobicContact CB-CG 4.29Å; I112-Q117 HydrophobicContact CG2-CG 3.62Å; I112-Q117 PolarHBondContact O-NE2 3.43Å; P113-Q117 WeakPolarHBondContact O-CG 3.45Å; P113-Q117 PolarHBondContact O-N 3.09Å; P114-Q117 WeakPolarHBondContact O-CB 3.08Å; P114-Q117 PolarHBondContact O-N 3.08Å; P114-Q117 VanDerWaalsContact O-N 3.12Å; Q117-L145 HydrophobicContact CB-CD1 3.77Å; Q117-L145 HydrophobicContact CG-CD1 3.97Å |
| 118 | R | 95.8 | Very high | 94 | Very high | 100 Ų | 100 | 58 Ų | 58 | 38% | 0.377 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 105.8 | 167.2 | -171.5 | -174.1 | -170.1 | -175.8 | 2.9 | 109.3 | I120 Q125 V146 R148 | R118-I120 HydrophobicContact CG-CG1 4.39Å; R118-Q125 HydrophobicContact CG-CG 4.02Å; R118-V146 WeakPolarHBondContact CA-O 3.41Å; R118-V146 HydrophobicContact CB-CB 4.25Å; R118-V146 VanDerWaalsContact CB-O 3.25Å; R118-V146 WeakPolarHBondContact CB-O 3.49Å; R118-V146 PolarHBondContact N-O 2.88Å; R118-V146 PolarHBondContact O-N 2.82Å; R118-R148 HydrophobicContact CB-CG 4.42Å |
| 119 | L | 97.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 136.2 | 175.3 | -62.3 | 179 | 0 | 0 | 0 | 110.8 | V81 I99 V102 K103 I106 L126 L143 H144 L145 | V81-L119 HydrophobicContact CG1-CD2 4.2Å; I99-L119 HydrophobicContact CG2-CD1 4.19Å; V102-L119 HydrophobicContact CB-CD1 4.34Å; V102-L119 HydrophobicContact CG1-CD1 3.77Å; K103-L119 HydrophobicContact CG-CD1 3.84Å; K103-L119 HydrophobicContact CG-CG 4.33Å; I106-L119 HydrophobicContact CD1-CD1 3.98Å; I106-L119 HydrophobicContact CD1-CD2 3.61Å; I106-L119 HydrophobicContact CD1-CG 4.33Å; L119-L126 HydrophobicContact CB-CB 4.27Å; L119-L126 HydrophobicContact CB-CD1 4.03Å; L119-L126 HydrophobicContact CB-CG 4.33Å; L119-L126 PolarHBondContact O-N 2.91Å; L119-L143 HydrophobicContact CD1-CD2 4.41Å; L119-H144 CarbonylContact C-O 3.49Å; L119-H144 WeakPolarHBondContact CA-O 3.39Å; L119-L145 HydrophobicContact CD2-CB 4.15Å; L119-L145 HydrophobicContact CD2-CD1 3.81Å |
| 120 | I | 98.3 | Very high | 94.7 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 20% | 0.2 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 132.7 | -176.9 | -57.9 | 169.7 | 0 | 0 | 0 | 108.7 | R118 K124 H144 V146 | R118-I120 HydrophobicContact CG-CG1 4.39Å; I120-K124 CarbonylContact C-O 3.47Å; I120-K124 VanDerWaalsContact CA-O 3.26Å; I120-K124 WeakPolarHBondContact CA-O 3.45Å; I120-K124 WeakPolarHBondContact CG2-O 3.27Å; I120-H144 HydrophobicContact CB-CB 4.31Å; I120-H144 PolarHBondContact N-O 3.11Å; I120-H144 PolarHBondContact O-N 3.18Å; I120-V146 HydrophobicContact CD1-CB 4.42Å; I120-V146 HydrophobicContact CD1-CG2 3.71Å |
| 121 | F | 98.4 | Very high | 95 | Very high | 44 Ų | 44 | 53.6 Ų | 53.6 | 19% | 0.193 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 138.4 | 174 | -178.2 | -109.8 | 0 | 0 | 0 | 109.8 | G123 K124 L126 I137 T142 L143 | F121-G123 PolarHBondContact O-N 3.22Å; F121-G123 VanDerWaalsContact O-N 3.11Å; F121-K124 PolarHBondContact N-O 3.23Å; F121-K124 PolarHBondContact O-N 3.48Å; F121-L126 HydrophobicContact CB-CD1 4.13Å; F121-L126 HydrophobicContact CB-CD2 3.98Å; F121-L126 HydrophobicContact CB-CG 4.33Å; F121-I137 HydrophobicContact CB-CD1 4.33Å; F121-I137 HydrophobicContact CD1-CD1 4.09Å; F121-I137 HydrophobicContact CD1-CG1 3.58Å; F121-I137 HydrophobicContact CD2-CG1 4.4Å; F121-I137 HydrophobicContact CE1-CG1 3.65Å; F121-I137 HydrophobicContact CE2-CG1 4.47Å; F121-I137 HydrophobicContact CG-CD1 4.16Å; F121-I137 HydrophobicContact CG-CG1 3.97Å; F121-I137 HydrophobicContact CZ-CG1 4.11Å; F121-T142 WeakPolarHBondContact CD2-O 3.18Å; F121-L143 HydrophobicContact CB-CG 4.36Å; F121-L143 HydrophobicContact CD2-CD1 4.2Å; F121-L143 HydrophobicContact CD2-CG 4.46Å |
| 122 | A | 95.8 | Very high | 95.4 | Very high | 84 Ų | 84 | 51.5 Ų | 51.5 | 69% | 0.694 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 40.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K124 | A122-K124 PolarHBondContact O-N 3.42Š|
| 123 | G | 94.8 | Very high | 95.8 | Very high | 79 Ų | 79 | 53 Ų | 53 | 81% | 0.814 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | -0.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | F121 | F121-G123 PolarHBondContact O-N 3.22Å; F121-G123 VanDerWaalsContact O-N 3.11Å |
| 124 | K | 96.7 | Very high | 96.2 | Very high | 142 Ų | 142 | 57.1 Ų | 57.1 | 62% | 0.617 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137.9 | 178.7 | -64.3 | -176.8 | -179.4 | 179.6 | 0 | 110.9 | I120 F121 A122 | I120-K124 CarbonylContact C-O 3.47Å; I120-K124 VanDerWaalsContact CA-O 3.26Å; I120-K124 WeakPolarHBondContact CA-O 3.45Å; I120-K124 WeakPolarHBondContact CG2-O 3.27Å; F121-K124 PolarHBondContact N-O 3.23Å; F121-K124 PolarHBondContact O-N 3.48Å; A122-K124 PolarHBondContact O-N 3.42Å |
| 125 | Q | 97.3 | Very high | 96.5 | Very high | 79 Ų | 79 | 58 Ų | 58 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 135.6 | 165.1 | 177.2 | -179 | -30.7 | 0 | 0 | 109 | R118 R148 | R118-Q125 HydrophobicContact CG-CG 4.02Å; Q125-R148 VanDerWaalsContact NE2-NH2 3.2Å |
| 126 | L | 98.2 | Very high | 96.9 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | trans | -84.3 | 144.3 | 178.1 | -54.9 | -173.6 | 0 | 0 | 0 | 110.8 | I99 L119 F121 Y135 I137 L143 | I99-L126 HydrophobicContact CB-CB 4.5Å; I99-L126 HydrophobicContact CD1-CB 3.97Å; I99-L126 HydrophobicContact CD1-CD1 3.66Å; I99-L126 HydrophobicContact CD1-CG 4.36Å; I99-L126 HydrophobicContact CG1-CB 3.9Å; I99-L126 HydrophobicContact CG2-CB 3.8Å; L119-L126 HydrophobicContact CB-CB 4.27Å; L119-L126 HydrophobicContact CB-CD1 4.03Å; L119-L126 HydrophobicContact CB-CG 4.33Å; L119-L126 PolarHBondContact O-N 2.91Å; F121-L126 HydrophobicContact CB-CD1 4.13Å; F121-L126 HydrophobicContact CB-CD2 3.98Å; F121-L126 HydrophobicContact CB-CG 4.33Å; L126-Y135 HydrophobicContact CB-CE2 4.18Å; L126-Y135 HydrophobicContact CD2-CD1 3.63Å; L126-Y135 HydrophobicContact CD2-CD2 3.71Å; L126-Y135 HydrophobicContact CD2-CE1 3.65Å; L126-Y135 HydrophobicContact CD2-CE2 3.71Å; L126-Y135 HydrophobicContact CD2-CG 3.65Å; L126-Y135 HydrophobicContact CG-CE2 4.49Å; L126-I137 HydrophobicContact CD1-CD1 3.86Å; L126-L143 HydrophobicContact CD1-CD2 3.76Å; L126-L143 HydrophobicContact CD1-CG 4.24Å | ||
| 127 | E | 97.9 | Very high | 97.2 | Very high | 101 Ų | 101 | 60.3 Ų | 60.3 | 47% | 0.472 | 34% | 0.343 | S | S | . | . | trans | -104.3 | 134.4 | -178 | -67.6 | 170.9 | -174.4 | 0 | 0 | 110.4 | I99 G129 R130 Y135 | I99-E127 VanDerWaalsContact CB-O 3.26Å; I99-E127 WeakPolarHBondContact CB-O 3.45Å; I99-E127 VanDerWaalsContact CG1-O 3.23Å; I99-E127 WeakPolarHBondContact CG1-O 3.48Å; E127-G129 VanDerWaalsContact C-N 3.32Å; E127-G129 PolarHBondContact O-N 3.27Å; E127-R130 HydrophobicContact CB-CG 4.27Å; E127-R130 PolarHBondContact O-N 2.89Å; E127-R130 VanDerWaalsContact O-N 3.09Å; E127-R130 IonicContact OE1-NH2 3.71Å; E127-R130 IonicContact OE2-CZ 3.26Å; E127-R130 VanDerWaalsContact OE2-CZ 3.29Å; E127-R130 IonicContact OE2-NE 3.29Å; E127-R130 PolarHBondContact OE2-NE 3.01Å; E127-R130 IonicContact OE2-NH2 2.92Å; E127-R130 PolarHBondContact OE2-NH2 3.2Å; E127-Y135 WeakPolarHBondContact CB-OH 3.15Å; E127-Y135 PolarHBondContact N-OH 3.14Å | ||
| 128 | D | 96.4 | Very high | 97.3 | Very high | 68 Ų | 68 | 66.7 Ų | 66.7 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -41.3 | -170.4 | -67.2 | -20.1 | 0 | 0 | 0 | 113.4 | I99 E100 K103 R130 | I99-D128 PolarHBondContact N-O 3.33Å; E100-D128 HydrophobicContact CB-CB 4.19Å; E100-D128 PolarHBondContact N-O 2.66Å; K103-D128 WeakPolarHBondContact CD-OD1 3.37Å; K103-D128 WeakPolarHBondContact CE-OD1 3.24Å; K103-D128 IonicContact NZ-OD1 3.56Å; K103-D128 PolarHBondContact NZ-OD1 2.78Å; K103-D128 IonicContact NZ-OD2 2.99Å; K103-D128 PolarHBondContact NZ-OD2 2.82Å; D128-R130 VanDerWaalsContact C-N 3.29Å; D128-R130 PolarHBondContact O-N 2.88Å |
| 129 | G | 96.5 | Very high | 97.2 | Very high | 75 Ų | 75 | 67.7 Ų | 67.7 | 77% | 0.773 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 3.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | E127 | E127-G129 VanDerWaalsContact C-N 3.32Å; E127-G129 PolarHBondContact O-N 3.27Å |
| 130 | R | 98.1 | Very high | 97.1 | Very high | 108 Ų | 108 | 73.8 Ų | 73.8 | 41% | 0.408 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -102 | 159 | 175.1 | -65.3 | -161.9 | -160.1 | -154.8 | -1.5 | 111.2 | T98 I99 E127 D128 D134 Y135 | T98-R130 CarbonylContact C-O 3.49Å; T98-R130 WeakPolarHBondContact CA-O 3.47Å; I99-R130 WeakPolarHBondContact CG1-O 3.42Å; I99-R130 PolarHBondContact N-O 3.35Å; E127-R130 HydrophobicContact CB-CG 4.27Å; E127-R130 PolarHBondContact O-N 2.89Å; E127-R130 VanDerWaalsContact O-N 3.09Å; E127-R130 IonicContact OE1-NH2 3.71Å; E127-R130 IonicContact OE2-CZ 3.26Å; E127-R130 VanDerWaalsContact OE2-CZ 3.29Å; E127-R130 IonicContact OE2-NE 3.29Å; E127-R130 PolarHBondContact OE2-NE 3.01Å; E127-R130 IonicContact OE2-NH2 2.92Å; E127-R130 PolarHBondContact OE2-NH2 3.2Å; D128-R130 VanDerWaalsContact C-N 3.29Å; D128-R130 PolarHBondContact O-N 2.88Å; R130-D134 HydrophobicContact CB-CB 4.26Å; R130-Y135 HydrophobicContact CB-CD2 4.33Å; R130-Y135 HydrophobicContact CB-CE2 3.6Å; R130-Y135 WeakPolarHBondContact CD-OH 3.47Å; R130-Y135 HydrophobicContact CG-CE2 4.3Å |
| 131 | T | 98 | Very high | 97.1 | Very high | 27 Ų | 27 | 73 Ų | 73 | 17% | 0.166 | 41% | 0.406 | C | S | . | . | B | Isolated β-bridge | trans | -92.2 | 164.9 | 177.3 | 67.7 | 0 | 0 | 0 | 0 | 112.5 | S96 D97 S133 D134 Y135 | S96-T131 WeakPolarHBondContact O-CG2 3.4Å; D97-T131 CarbonylContact O-C 3.59Å; D97-T131 WeakPolarHBondContact O-CA 3.41Å; T131-S133 PolarHBondContact O-N 2.82Å; T131-S133 PolarHBondContact OG1-N 3.29Å; T131-S133 PolarHBondContact OG1-OG 2.74Å; T131-D134 PolarHBondContact N-OD2 3.2Å; T131-D134 PolarHBondContact O-N 3.02Å; T131-D134 PolarHBondContact OG1-N 2.81Å; T131-D134 VanDerWaalsContact OG1-N 3.16Å; T131-D134 PolarHBondContact OG1-OD2 3.4Å; T131-Y135 WeakPolarHBondContact O-CD2 3.4Å |
| 132 | L | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -39.5 | 168.7 | -70.5 | -176.2 | 0 | 0 | 0 | 111.7 | I79 V93 P95 D97 I99 V102 D134 Y135 N136 I137 | I79-L132 HydrophobicContact CD1-CD1 4.18Å; I79-L132 HydrophobicContact CD1-CD2 4.29Å; V93-L132 HydrophobicContact CB-CD1 3.58Å; V93-L132 HydrophobicContact CG1-CD1 4.13Å; V93-L132 HydrophobicContact CG2-CD1 3.45Å; V93-L132 VanDerWaalsContact CG2-CD1 3.45Å; P95-L132 PolarHBondContact O-N 2.99Å; D97-L132 HydrophobicContact CB-CD1 4.28Å; D97-L132 HydrophobicContact CB-CG 4.45Å; D97-L132 PolarHBondContact O-N 2.83Å; I99-L132 HydrophobicContact CD1-CD2 3.98Å; V102-L132 HydrophobicContact CG2-CD1 4.06Å; V102-L132 HydrophobicContact CG2-CD2 3.9Å; V102-L132 HydrophobicContact CG2-CG 4Å; L132-D134 VanDerWaalsContact C-N 3.35Å; L132-D134 PolarHBondContact O-N 3.47Å; L132-Y135 PolarHBondContact O-N 3.24Å; L132-N136 PolarHBondContact O-N 3.06Å; L132-I137 HydrophobicContact CB-CB 4.21Å; L132-I137 HydrophobicContact CD2-CB 4.13Å; L132-I137 HydrophobicContact CD2-CD1 3.64Å; L132-I137 HydrophobicContact CD2-CG1 4.48Å; L132-I137 HydrophobicContact CD2-CG2 4.02Å; L132-I137 WeakPolarHBondContact O-CB 3.42Å; L132-I137 PolarHBondContact O-N 3.25Å |
| 133 | S | 97.5 | Very high | 97.2 | Very high | 57 Ų | 57 | 69 Ų | 69 | 40% | 0.399 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -64 | -35.9 | 178.5 | 73.9 | 0 | 0 | 0 | 0 | 113.2 | P95 T131 Y135 N136 | P95-S133 VanDerWaalsContact O-CB 3.29Å; P95-S133 WeakPolarHBondContact O-CB 3.49Å; P95-S133 PolarHBondContact O-N 2.82Å; P95-S133 PolarHBondContact O-OG 3.12Å; T131-S133 PolarHBondContact O-N 2.82Å; T131-S133 PolarHBondContact OG1-N 3.29Å; T131-S133 PolarHBondContact OG1-OG 2.74Å; S133-Y135 PolarHBondContact O-N 3Å; S133-Y135 VanDerWaalsContact O-N 3.16Å; S133-N136 PolarHBondContact O-N 3.46Å |
| 134 | D | 98.3 | Very high | 97.4 | Very high | 93 Ų | 93 | 69.9 Ų | 69.9 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -61.8 | -26.6 | 177.5 | -66.3 | -45.6 | 0 | 0 | 0 | 112.6 | R130 T131 L132 | R130-D134 HydrophobicContact CB-CB 4.26Å; T131-D134 PolarHBondContact N-OD2 3.2Å; T131-D134 PolarHBondContact O-N 3.02Å; T131-D134 PolarHBondContact OG1-N 2.81Å; T131-D134 VanDerWaalsContact OG1-N 3.16Å; T131-D134 PolarHBondContact OG1-OD2 3.4Å; L132-D134 VanDerWaalsContact C-N 3.35Å; L132-D134 PolarHBondContact O-N 3.47Å |
| 135 | Y | 98.2 | Very high | 97.4 | Very high | 33 Ų | 33 | 63.3 Ų | 63.3 | 13% | 0.129 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -96.9 | 4.9 | 175.9 | -69.8 | -72.2 | 0 | 0 | 0 | 113.5 | I99 L126 E127 R130 T131 L132 S133 I137 | I99-Y135 HydrophobicContact CD1-CD2 4.23Å; I99-Y135 HydrophobicContact CD1-CE2 4.31Å; I99-Y135 HydrophobicContact CG1-CD2 4.4Å; I99-Y135 HydrophobicContact CG1-CE2 4.01Å; L126-Y135 HydrophobicContact CB-CE2 4.18Å; L126-Y135 HydrophobicContact CD2-CD1 3.63Å; L126-Y135 HydrophobicContact CD2-CD2 3.71Å; L126-Y135 HydrophobicContact CD2-CE1 3.65Å; L126-Y135 HydrophobicContact CD2-CE2 3.71Å; L126-Y135 HydrophobicContact CD2-CG 3.65Å; L126-Y135 HydrophobicContact CG-CE2 4.49Å; E127-Y135 WeakPolarHBondContact CB-OH 3.15Å; E127-Y135 PolarHBondContact N-OH 3.14Å; R130-Y135 HydrophobicContact CB-CD2 4.33Å; R130-Y135 HydrophobicContact CB-CE2 3.6Å; R130-Y135 WeakPolarHBondContact CD-OH 3.47Å; R130-Y135 HydrophobicContact CG-CE2 4.3Å; T131-Y135 WeakPolarHBondContact O-CD2 3.4Å; L132-Y135 PolarHBondContact O-N 3.24Å; S133-Y135 PolarHBondContact O-N 3Å; S133-Y135 VanDerWaalsContact O-N 3.16Å; Y135-I137 PolarHBondContact O-N 2.98Å |
| 136 | N | 97.1 | Very high | 97.3 | Very high | 127 Ų | 127 | 61.4 Ų | 61.4 | 68% | 0.679 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 35.5 | -171.4 | -62.1 | -64.2 | 0 | 0 | 0 | 112.6 | L132 S133 Q138 | L132-N136 PolarHBondContact O-N 3.06Å; S133-N136 PolarHBondContact O-N 3.46Å; N136-Q138 PolarHBondContact O-N 3.04Å |
| 137 | I | 98 | Very high | 97 | Very high | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | trans | -75.5 | 120.5 | 173.6 | -64.8 | 166.7 | 0 | 0 | 0 | 107 | M77 I79 F121 L126 L132 Y135 L143 | M77-I137 WeakPolarHBondContact CE-O 3.34Å; I79-I137 HydrophobicContact CG2-CG2 3.97Å; F121-I137 HydrophobicContact CB-CD1 4.33Å; F121-I137 HydrophobicContact CD1-CD1 4.09Å; F121-I137 HydrophobicContact CD1-CG1 3.58Å; F121-I137 HydrophobicContact CD2-CG1 4.4Å; F121-I137 HydrophobicContact CE1-CG1 3.65Å; F121-I137 HydrophobicContact CE2-CG1 4.47Å; F121-I137 HydrophobicContact CG-CD1 4.16Å; F121-I137 HydrophobicContact CG-CG1 3.97Å; F121-I137 HydrophobicContact CZ-CG1 4.11Å; L126-I137 HydrophobicContact CD1-CD1 3.86Å; L132-I137 HydrophobicContact CB-CB 4.21Å; L132-I137 HydrophobicContact CD2-CB 4.13Å; L132-I137 HydrophobicContact CD2-CD1 3.64Å; L132-I137 HydrophobicContact CD2-CG1 4.48Å; L132-I137 HydrophobicContact CD2-CG2 4.02Å; L132-I137 WeakPolarHBondContact O-CB 3.42Å; L132-I137 PolarHBondContact O-N 3.25Å; Y135-I137 PolarHBondContact O-N 2.98Å; I137-L143 HydrophobicContact CD1-CD1 4.2Å; I137-L143 HydrophobicContact CD1-CD2 4.36Å; I137-L143 HydrophobicContact CD1-CG 4.4Å; I137-L143 HydrophobicContact CG2-CD1 3.91Å | ||
| 138 | Q | 95.9 | Very high | 96.4 | Very high | 134 Ų | 134 | 65.6 Ų | 65.6 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | trans | -110.2 | 171.3 | -177.1 | -64.6 | -174.1 | -13.2 | 0 | 0 | 111 | M77 N136 E140 S141 | M77-Q138 VanDerWaalsContact CE-C 3.47Å; N136-Q138 PolarHBondContact O-N 3.04Å; Q138-E140 PolarHBondContact O-N 3.39Å; Q138-S141 PolarHBondContact N-OG 3.12Å; Q138-S141 WeakPolarHBondContact O-CB 3.23Å; Q138-S141 PolarHBondContact O-N 3.47Å; Q138-S141 PolarHBondContact O-OG 2.91Å | ||
| 139 | K | 94 | Very high | 95.1 | Very high | 122 Ų | 122 | 70.3 Ų | 70.3 | 53% | 0.53 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | 138 | 169.8 | 179.9 | 172.9 | 178.5 | 175.2 | 0 | 110.4 | M77 S141 | M77-K139 HydrophobicContact CG-CB 4.1Å; K139-S141 PolarHBondContact O-N 2.94Å |
| 140 | E | 95.8 | Very high | 93.5 | Very high | 128 Ų | 128 | 78.2 Ų | 78.2 | 60% | 0.598 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 7.3 | -177.9 | -66.6 | 165.2 | -158.7 | 0 | 0 | 115.4 | Q78 F80 Q138 | Q78-E140 PolarHBondContact O-N 3.42Å; F80-E140 HydrophobicContact CE2-CB 4.01Å; F80-E140 HydrophobicContact CE2-CG 4.03Å; Q138-E140 PolarHBondContact O-N 3.39Å |
| 141 | S | 98.3 | Very high | 92.1 | Very high | 22 Ų | 22 | 76 Ų | 76 | 15% | 0.154 | 38% | 0.384 | C | S | . | . | trans | -61.6 | 147.3 | 170.6 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | F80 Q138 K139 | F80-S141 PolarHBondContact N-O 2.93Å; Q138-S141 PolarHBondContact N-OG 3.12Å; Q138-S141 WeakPolarHBondContact O-CB 3.23Å; Q138-S141 PolarHBondContact O-N 3.47Å; Q138-S141 PolarHBondContact O-OG 2.91Å; K139-S141 PolarHBondContact O-N 2.94Å | ||
| 142 | T | 98.3 | Very high | 91.1 | Very high | 45 Ų | 45 | 75.2 Ų | 75.2 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 117.4 | 178 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | F80 K82 F121 | F80-T142 HydrophobicContact CB-CG2 4.31Å; F80-T142 CarbonylContact O-C 3.57Å; F80-T142 VanDerWaalsContact O-CA 3.3Å; F80-T142 WeakPolarHBondContact O-CA 3.33Å; K82-T142 HydrophobicContact CB-CG2 4.28Å; K82-T142 HydrophobicContact CD-CG2 3.72Å; K82-T142 HydrophobicContact CG-CG2 3.68Å; F121-T142 WeakPolarHBondContact CD2-O 3.18Å |
| 143 | L | 98.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 157.9 | 170.8 | -72.3 | 60.6 | 0 | 0 | 0 | 109.1 | I79 F80 V81 K82 L119 F121 L126 I137 | I79-L143 HydrophobicContact CD1-CD1 4.02Å; I79-L143 HydrophobicContact CD1-CD2 4.12Å; F80-L143 PolarHBondContact O-N 3.27Å; V81-L143 CarbonylContact C-O 3.51Å; V81-L143 WeakPolarHBondContact CA-O 3.42Å; V81-L143 HydrophobicContact CG2-CB 4.33Å; K82-L143 PolarHBondContact N-O 2.9Å; L119-L143 HydrophobicContact CD1-CD2 4.41Å; F121-L143 HydrophobicContact CB-CG 4.36Å; F121-L143 HydrophobicContact CD2-CD1 4.2Å; F121-L143 HydrophobicContact CD2-CG 4.46Å; L126-L143 HydrophobicContact CD1-CD2 3.76Å; L126-L143 HydrophobicContact CD1-CG 4.24Å; I137-L143 HydrophobicContact CD1-CD1 4.2Å; I137-L143 HydrophobicContact CD1-CD2 4.36Å; I137-L143 HydrophobicContact CD1-CG 4.4Å; I137-L143 HydrophobicContact CG2-CD1 3.91Å |
| 144 | H | 98.3 | Very high | 90.5 | Very high | 98 Ų | 98 | 77.2 Ų | 77.2 | 45% | 0.454 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 132.3 | 172.3 | -64.4 | 75.4 | 0 | 0 | 0 | 109.6 | K82 L119 I120 | K82-H144 CarbonylContact O-C 3.56Å; K82-H144 WeakPolarHBondContact O-CA 3.2Å; L119-H144 CarbonylContact C-O 3.49Å; L119-H144 WeakPolarHBondContact CA-O 3.39Å; I120-H144 HydrophobicContact CB-CB 4.31Å; I120-H144 PolarHBondContact N-O 3.11Å; I120-H144 PolarHBondContact O-N 3.18Å |
| 145 | L | 97.4 | Very high | 90.4 | Very high | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 122.1 | 175.8 | 174.7 | 64.1 | 0 | 0 | 0 | 110.3 | V81 K82 T83 I106 I112 Q117 L119 L147 | V81-L145 HydrophobicContact CG1-CB 3.54Å; V81-L145 HydrophobicContact CG1-CD2 4.46Å; K82-L145 PolarHBondContact O-N 3.43Å; T83-L145 HydrophobicContact CG2-CD2 4.49Å; I106-L145 HydrophobicContact CG2-CD2 3.98Å; I112-L145 HydrophobicContact CD1-CD2 4.02Å; Q117-L145 HydrophobicContact CB-CD1 3.77Å; Q117-L145 HydrophobicContact CG-CD1 3.97Å; L119-L145 HydrophobicContact CD2-CB 4.15Å; L119-L145 HydrophobicContact CD2-CD1 3.81Å; L145-L147 HydrophobicContact CD2-CD2 4.48Å; L145-L147 HydrophobicContact CG-CD2 4.44Å |
| 146 | V | 94.8 | Very high | 90.4 | Very high | 38 Ų | 38 | 73.7 Ų | 73.7 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.4 | 171.2 | 177 | 0 | 0 | 0 | 0 | 108.6 | L84 R118 I120 | L84-V146 HydrophobicContact CD1-CG1 4.22Å; L84-V146 HydrophobicContact CD2-CG2 4.04Å; L84-V146 HydrophobicContact CG-CG2 4.34Å; R118-V146 WeakPolarHBondContact CA-O 3.41Å; R118-V146 HydrophobicContact CB-CB 4.25Å; R118-V146 VanDerWaalsContact CB-O 3.25Å; R118-V146 WeakPolarHBondContact CB-O 3.49Å; R118-V146 PolarHBondContact N-O 2.88Å; R118-V146 PolarHBondContact O-N 2.82Å; I120-V146 HydrophobicContact CD1-CB 4.42Å; I120-V146 HydrophobicContact CD1-CG2 3.71Å |
| 147 | L | 91.7 | Very high | 90.5 | Very high | 87 Ų | 87 | 67.7 Ų | 67.7 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 137.5 | 177.1 | -59.3 | -177.9 | 0 | 0 | 0 | 110.9 | I112 L145 | I112-L147 HydrophobicContact CD1-CD2 3.99Å; I112-L147 HydrophobicContact CG1-CD2 4.38Å; I112-L147 HydrophobicContact CG2-CD2 3.58Å; L145-L147 HydrophobicContact CD2-CD2 4.48Å; L145-L147 HydrophobicContact CG-CD2 4.44Å |
| 148 | R | 84.9 | Confident | 90.5 | Very high | 107 Ų | 107 | 71.7 Ų | 71.7 | 40% | 0.404 | 35% | 0.351 | S | S | . | . | trans | -89.1 | 130.9 | 168.3 | -62.1 | 175.2 | 174.6 | 168.4 | -3.3 | 108.7 | D115 Q116 R118 Q125 | D115-R148 WeakPolarHBondContact O-CD 3.37Å; D115-R148 PolarHBondContact O-NH1 3.46Å; Q116-R148 PolarHBondContact O-N 3.47Å; R118-R148 HydrophobicContact CB-CG 4.42Å; Q125-R148 VanDerWaalsContact NE2-NH2 3.2Å | ||
| 149 | L | 70.3 | Confident | 90.3 | Very high | 166 Ų | 166 | 66.4 Ų | 66.4 | 87% | 0.869 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -85.1 | -13.4 | -172.6 | -68.7 | 172 | 0 | 0 | 0 | 114.9 | ||
| 150 | R | 63.1 | Low | 90.1 | Very high | 241 Ų | 241 | 67 Ų | 67 | 91% | 0.909 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -152.4 | 75.6 | -163.5 | -62.1 | -175.1 | -176.1 | 172.8 | 0.4 | 112.2 | ||
| 151 | G | 67.2 | Low | 89.8 | Confident | 62 Ų | 62 | 67 Ų | 67 | 64% | 0.639 | 35% | 0.345 | S | S | * | . | trans | -160.4 | -8.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 152 | G | 77.9 | Confident | 89.4 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 11% | 0.113 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 155.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | D115 Q154 E168 | D115-G152 WeakPolarHBondContact OD2-CA 3.3Å; G152-Q154 PolarHBondContact O-N 3.11Å; G152-E168 WeakPolarHBondContact CA-OE2 3.24Å |
| 153 | M | 90.2 | Very high | 89.2 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 14% | 0.143 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 118.5 | 162.4 | 169.2 | -177.4 | 172.6 | 0 | 0 | 108 | I155 V169 P171 L208 I213 Q214 K215 | M153-I155 HydrophobicContact CE-CG2 4.11Å; M153-V169 WeakPolarHBondContact CB-O 3.49Å; M153-V169 HydrophobicContact CE-CG2 4.26Å; M153-V169 HydrophobicContact CG-CG2 4.02Å; M153-V169 WeakPolarHBondContact O-CG2 3.36Å; M153-V169 PolarHBondContact O-N 2.79Å; M153-V169 HydrophobicContact SD-CG2 4.38Å; M153-P171 HydrophobicContact SD-CG 3.78Å; M153-L208 HydrophobicContact CE-CD1 4.47Å; M153-I213 WeakPolarHBondContact CE-O 3.29Å; M153-Q214 VanDerWaalsContact CE-C 3.46Å; M153-K215 HydrophobicContact CG-CB 4.09Å |
| 154 | Q | 92.6 | Very high | 89.2 | Confident | 69 Ų | 69 | 74.6 Ų | 74.6 | 32% | 0.322 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 144 | 173.2 | -70.3 | 177.6 | 7.3 | 0 | 0 | 110.1 | G152 T166 L167 E168 E216 | G152-Q154 PolarHBondContact O-N 3.11Å; Q154-T166 HydrophobicContact CB-CG2 4.06Å; Q154-T166 HydrophobicContact CG-CG2 4.01Å; Q154-L167 CarbonylContact C-O 3.53Å; Q154-L167 VanDerWaalsContact CA-O 3.24Å; Q154-L167 WeakPolarHBondContact CA-O 3.48Å; Q154-E168 VanDerWaalsContact CG-CD 3.47Å; Q154-E168 VanDerWaalsContact CG-OE1 3.24Å; Q154-E168 WeakPolarHBondContact CG-OE1 3.45Å; Q154-E168 WeakPolarHBondContact CG-OE2 3.42Å; Q154-E168 PolarHBondContact NE2-OE1 3.41Å; Q154-E216 PolarHBondContact O-N 3.26Å |
| 155 | I | 96.7 | Very high | 89 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 162.9 | 163.4 | 63.4 | 171.6 | 0 | 0 | 0 | 109.6 | M153 L167 V169 V178 L208 I213 L219 | M153-I155 HydrophobicContact CE-CG2 4.11Å; I155-L167 HydrophobicContact CG1-CB 4.01Å; I155-L167 PolarHBondContact N-O 3.3Å; I155-L167 PolarHBondContact O-N 3.47Å; I155-V169 HydrophobicContact CB-CG2 4.26Å; I155-V169 HydrophobicContact CD1-CG1 3.89Å; I155-V169 HydrophobicContact CD1-CG2 4.12Å; I155-V169 HydrophobicContact CG1-CG1 3.88Å; I155-V169 HydrophobicContact CG1-CG2 3.81Å; I155-V169 HydrophobicContact CG2-CG2 3.7Å; I155-V178 HydrophobicContact CD1-CG1 4.27Å; I155-L208 HydrophobicContact CD1-CD1 4.12Å; I155-L208 HydrophobicContact CD1-CD2 4.24Å; I155-I213 HydrophobicContact CG2-CG2 3.91Å; I155-L219 HydrophobicContact CD1-CD1 4.05Å; I155-L219 HydrophobicContact CD1-CD2 4.17Å |
| 156 | F | 98.1 | Very high | 88.9 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 23% | 0.232 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 141.5 | 177.7 | -56 | -66.1 | 0 | 0 | 0 | 110.6 | T164 I165 T166 E216 S217 T218 L219 | F156-T164 HydrophobicContact CB-CG2 3.83Å; F156-T164 HydrophobicContact CD1-CG2 4.11Å; F156-T164 HydrophobicContact CG-CG2 4.25Å; F156-I165 CarbonylContact C-O 3.53Å; F156-I165 WeakPolarHBondContact CA-O 3.31Å; F156-T166 HydrophobicContact CD1-CG2 4.28Å; F156-T166 HydrophobicContact CE1-CG2 3.96Å; F156-E216 WeakPolarHBondContact CD2-O 3.45Å; F156-E216 HydrophobicContact CE2-CB 3.85Å; F156-E216 HydrophobicContact CE2-CG 3.91Å; F156-E216 HydrophobicContact CZ-CG 4.33Å; F156-S217 PolarHBondContact N-O 3.31Å; F156-T218 HydrophobicContact CB-CG2 4.33Å; F156-T218 CarbonylContact O-C 3.52Å; F156-T218 VanDerWaalsContact O-CA 3.31Å; F156-T218 WeakPolarHBondContact O-CA 3.47Å; F156-L219 PolarHBondContact O-N 3.31Å |
| 157 | V | 98.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 114.3 | 173.1 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | T164 I165 L167 I182 L195 L219 L221 | V157-T164 WeakPolarHBondContact O-CA 3.15Å; V157-I165 HydrophobicContact CB-CB 4.4Å; V157-I165 PolarHBondContact N-O 2.79Å; V157-I165 PolarHBondContact O-N 2.99Å; V157-L167 HydrophobicContact CG2-CD1 3.52Å; V157-L167 HydrophobicContact CG2-CG 4.08Å; V157-I182 HydrophobicContact CG1-CD1 4.1Å; V157-I182 HydrophobicContact CG2-CD1 4.11Å; V157-I182 HydrophobicContact CG2-CG1 4.45Å; V157-L195 HydrophobicContact CG1-CD2 4.32Å; V157-L219 CarbonylContact C-O 3.59Å; V157-L219 WeakPolarHBondContact CA-O 3.22Å; V157-L219 HydrophobicContact CG2-CB 4.39Å; V157-L221 HydrophobicContact CG1-CB 3.61Å; V157-L221 HydrophobicContact CG1-CD2 4.48Å |
| 158 | K | 97.8 | Very high | 88.8 | Confident | 89 Ų | 89 | 69.6 Ų | 69.6 | 39% | 0.387 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 125.2 | 175.1 | -78.3 | -174.8 | -178.7 | 179.7 | 0 | 110.6 | K163 T164 T218 L219 H220 L221 | K158-K163 WeakPolarHBondContact CA-O 3.38Å; K158-T164 HydrophobicContact CG-CG2 4.34Å; K158-T164 WeakPolarHBondContact CG-OG1 3.4Å; K158-T218 HydrophobicContact CB-CG2 4.21Å; K158-T218 HydrophobicContact CD-CG2 3.74Å; K158-T218 HydrophobicContact CG-CG2 3.68Å; K158-L219 PolarHBondContact N-O 2.87Å; K158-H220 WeakPolarHBondContact O-CA 3.41Å; K158-L221 PolarHBondContact O-N 3.21Å |
| 159 | T | 93 | Very high | 89.2 | Confident | 24 Ų | 24 | 64.6 Ų | 64.6 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 164.9 | 172.7 | 70.4 | 0 | 0 | 0 | 0 | 110.9 | T161 G162 K163 I165 L221 | T159-T161 PolarHBondContact O-N 3.22Å; T159-T161 PolarHBondContact OG1-N 2.87Å; T159-T161 PolarHBondContact OG1-OG1 2.77Å; T159-G162 PolarHBondContact O-N 2.96Å; T159-K163 HydrophobicContact CG2-CB 4.27Å; T159-K163 PolarHBondContact N-O 3.23Å; T159-K163 WeakPolarHBondContact OG1-CB 3.47Å; T159-K163 PolarHBondContact OG1-N 3.45Å; T159-K163 VanDerWaalsContact OG1-N 3.16Å; T159-K163 PolarHBondContact OG1-O 2.9Å; T159-I165 HydrophobicContact CG2-CD1 3.84Å; T159-L221 HydrophobicContact CG2-CD2 4.49Å |
| 160 | L | 88.8 | Confident | 90.3 | Very high | 135 Ų | 135 | 58.3 Ų | 58.3 | 71% | 0.707 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.1 | 171 | -67.3 | -179.4 | 0 | 0 | 0 | 113.7 | G162 V222 | L160-G162 PolarHBondContact O-N 3.07Å; L160-V222 HydrophobicContact CD1-CG1 4.37Å; L160-V222 HydrophobicContact CD2-CG2 4.1Å |
| 161 | T | 89.4 | Confident | 91.7 | Very high | 128 Ų | 128 | 50 Ų | 50 | 79% | 0.785 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -2.8 | 175.8 | 60.8 | 0 | 0 | 0 | 0 | 113 | T159 K163 | T159-T161 PolarHBondContact O-N 3.22Å; T159-T161 PolarHBondContact OG1-N 2.87Å; T159-T161 PolarHBondContact OG1-OG1 2.77Å; T161-K163 VanDerWaalsContact C-N 3.33Å |
| 162 | G | 90.8 | Very high | 92.9 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 58% | 0.577 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 85.4 | -2.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T159 L160 T164 | T159-G162 PolarHBondContact O-N 2.96Å; L160-G162 PolarHBondContact O-N 3.07Å; G162-T164 PolarHBondContact O-N 3.16Å |
| 163 | K | 94.9 | Very high | 93.7 | Very high | 102 Ų | 102 | 50.3 Ų | 50.3 | 44% | 0.443 | 28% | 0.284 | S | S | . | . | trans | -64.7 | 134.3 | 173.4 | -177.8 | -177.9 | 172 | -170.8 | 0 | 109.2 | K158 T159 T161 E186 | K158-K163 WeakPolarHBondContact CA-O 3.38Å; T159-K163 HydrophobicContact CG2-CB 4.27Å; T159-K163 PolarHBondContact N-O 3.23Å; T159-K163 WeakPolarHBondContact OG1-CB 3.47Å; T159-K163 PolarHBondContact OG1-N 3.45Å; T159-K163 VanDerWaalsContact OG1-N 3.16Å; T159-K163 PolarHBondContact OG1-O 2.9Å; T161-K163 VanDerWaalsContact C-N 3.33Å; K163-E186 WeakPolarHBondContact CE-OE1 3.42Å; K163-E186 IonicContact NZ-OE1 2.69Å; K163-E186 PolarHBondContact NZ-OE1 3.48Å; K163-E186 IonicContact NZ-OE2 2.68Å; K163-E186 PolarHBondContact NZ-OE2 2.82Å | ||
| 164 | T | 96.6 | Very high | 94 | Very high | 68 Ų | 68 | 50.6 Ų | 50.6 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.7 | 174.1 | -56.9 | 0 | 0 | 0 | 0 | 109.3 | F156 V157 K158 G162 | F156-T164 HydrophobicContact CB-CG2 3.83Å; F156-T164 HydrophobicContact CD1-CG2 4.11Å; F156-T164 HydrophobicContact CG-CG2 4.25Å; V157-T164 WeakPolarHBondContact O-CA 3.15Å; K158-T164 HydrophobicContact CG-CG2 4.34Å; K158-T164 WeakPolarHBondContact CG-OG1 3.4Å; G162-T164 PolarHBondContact O-N 3.16Å |
| 165 | I | 95.2 | Very high | 94.2 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 5% | 0.046 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135.9 | 177.9 | -57.6 | 149.8 | 0 | 0 | 0 | 107.6 | F156 V157 T159 L167 K185 E186 | F156-I165 CarbonylContact C-O 3.53Å; F156-I165 WeakPolarHBondContact CA-O 3.31Å; V157-I165 HydrophobicContact CB-CB 4.4Å; V157-I165 PolarHBondContact N-O 2.79Å; V157-I165 PolarHBondContact O-N 2.99Å; T159-I165 HydrophobicContact CG2-CD1 3.84Å; I165-L167 HydrophobicContact CG2-CD2 3.93Å; I165-K185 HydrophobicContact CG2-CD 3.86Å; I165-E186 HydrophobicContact CD1-CG 3.44Å; I165-E186 VanDerWaalsContact CD1-CG 3.44Å; I165-E186 HydrophobicContact CG1-CG 4.15Å |
| 166 | T | 94.8 | Very high | 94.2 | Very high | 57 Ų | 57 | 52.9 Ų | 52.9 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.4 | 174.1 | -53.7 | 0 | 0 | 0 | 0 | 109.3 | Q154 F156 K185 | Q154-T166 HydrophobicContact CB-CG2 4.06Å; Q154-T166 HydrophobicContact CG-CG2 4.01Å; F156-T166 HydrophobicContact CD1-CG2 4.28Å; F156-T166 HydrophobicContact CE1-CG2 3.96Å; T166-K185 VanDerWaalsContact O-CE 3.25Å; T166-K185 WeakPolarHBondContact O-CE 3.08Å |
| 167 | L | 93.3 | Very high | 94 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134 | 176.5 | -57 | -177.5 | 0 | 0 | 0 | 110 | Q154 I155 V157 I165 V169 V178 K181 I182 K185 | Q154-L167 CarbonylContact C-O 3.53Å; Q154-L167 VanDerWaalsContact CA-O 3.24Å; Q154-L167 WeakPolarHBondContact CA-O 3.48Å; I155-L167 HydrophobicContact CG1-CB 4.01Å; I155-L167 PolarHBondContact N-O 3.3Å; I155-L167 PolarHBondContact O-N 3.47Å; V157-L167 HydrophobicContact CG2-CD1 3.52Å; V157-L167 HydrophobicContact CG2-CG 4.08Å; I165-L167 HydrophobicContact CG2-CD2 3.93Å; L167-V169 HydrophobicContact CB-CG1 3.98Å; L167-V178 HydrophobicContact CD1-CG1 3.86Å; L167-K181 HydrophobicContact CD2-CB 4.31Å; L167-I182 HydrophobicContact CD1-CD1 4.19Å; L167-I182 HydrophobicContact CD1-CG1 3.65Å; L167-I182 HydrophobicContact CD2-CG1 4.37Å; L167-K185 HydrophobicContact CD2-CD 3.59Å |
| 168 | E | 92.1 | Very high | 94 | Very high | 55 Ų | 55 | 53.5 Ų | 53.5 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 124.1 | 165.8 | -64.9 | -70 | 168.3 | 0 | 0 | 108.5 | P113 Q116 G152 Q154 K181 | P113-E168 HydrophobicContact CG-CB 4.25Å; Q116-E168 VanDerWaalsContact NE2-CD 3.34Å; Q116-E168 PolarHBondContact NE2-OE2 3.4Å; G152-E168 WeakPolarHBondContact CA-OE2 3.24Å; Q154-E168 VanDerWaalsContact CG-CD 3.47Å; Q154-E168 VanDerWaalsContact CG-OE1 3.24Å; Q154-E168 WeakPolarHBondContact CG-OE1 3.45Å; Q154-E168 WeakPolarHBondContact CG-OE2 3.42Å; Q154-E168 PolarHBondContact NE2-OE1 3.41Å; E168-K181 PolarHBondContact O-NZ 3.16Å |
| 169 | V | 92.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 163.2 | -172.2 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | M153 I155 L167 D173 V178 K181 L208 | M153-V169 WeakPolarHBondContact CB-O 3.49Å; M153-V169 HydrophobicContact CE-CG2 4.26Å; M153-V169 HydrophobicContact CG-CG2 4.02Å; M153-V169 WeakPolarHBondContact O-CG2 3.36Å; M153-V169 PolarHBondContact O-N 2.79Å; M153-V169 HydrophobicContact SD-CG2 4.38Å; I155-V169 HydrophobicContact CB-CG2 4.26Å; I155-V169 HydrophobicContact CD1-CG1 3.89Å; I155-V169 HydrophobicContact CD1-CG2 4.12Å; I155-V169 HydrophobicContact CG1-CG1 3.88Å; I155-V169 HydrophobicContact CG1-CG2 3.81Å; I155-V169 HydrophobicContact CG2-CG2 3.7Å; L167-V169 HydrophobicContact CB-CG1 3.98Å; V169-D173 WeakPolarHBondContact CA-OD2 3.46Å; V169-D173 WeakPolarHBondContact CB-OD2 3.49Å; V169-V178 HydrophobicContact CG1-CG2 4.44Å; V169-K181 HydrophobicContact CG1-CD 4.11Å; V169-L208 HydrophobicContact CB-CD1 3.58Å; V169-L208 HydrophobicContact CG1-CD1 4.07Å; V169-L208 HydrophobicContact CG2-CD1 3.48Å; V169-L208 VanDerWaalsContact CG2-CD1 3.48Å |
| 170 | E | 92.6 | Very high | 94 | Very high | 33 Ų | 33 | 50.2 Ų | 50.2 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | trans | -114.6 | 154.3 | 167.5 | -65.9 | -173.6 | 145.4 | 0 | 0 | 110.5 | P113 P114 D115 S172 D173 | P113-E170 HydrophobicContact CB-CG 4.48Å; P114-E170 WeakPolarHBondContact CD-OE1 3.25Å; P114-E170 WeakPolarHBondContact CD-OE2 3.48Å; D115-E170 PolarHBondContact N-OE1 2.88Å; E170-S172 PolarHBondContact O-N 2.7Å; E170-S172 VanDerWaalsContact O-N 3.12Å; E170-D173 PolarHBondContact N-OD2 2.66Å; E170-D173 VanDerWaalsContact O-CB 3.3Å; E170-D173 WeakPolarHBondContact O-CB 3.24Å; E170-D173 PolarHBondContact O-N 3.3Å | ||
| 171 | P | 93.6 | Very high | 94.3 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.4 | 176.6 | -25.2 | 33.9 | 0 | 0 | 0 | 113.8 | M153 D173 L208 S209 | M153-P171 HydrophobicContact SD-CG 3.78Å; P171-D173 VanDerWaalsContact C-N 3.35Å; P171-L208 PolarHBondContact O-N 2.74Å; P171-S209 VanDerWaalsContact O-CB 3.31Å; P171-S209 WeakPolarHBondContact O-CB 3.21Å; P171-S209 PolarHBondContact O-N 3.45Å |
| 172 | S | 92.4 | Very high | 94.6 | Very high | 76 Ų | 76 | 39.2 Ų | 39.2 | 53% | 0.531 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -13.4 | 176.4 | 47.1 | 0 | 0 | 0 | 0 | 114 | E170 T174 T207 | E170-S172 PolarHBondContact O-N 2.7Å; E170-S172 VanDerWaalsContact O-N 3.12Å; S172-T174 PolarHBondContact O-N 3.25Å; S172-T207 WeakPolarHBondContact O-CG2 3.17Å |
| 173 | D | 94.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | trans | -59 | 129.1 | 178.7 | -86.2 | -32.6 | 0 | 0 | 0 | 109.9 | Q107 V169 E170 P171 N177 V178 K181 T207 L208 | Q107-D173 PolarHBondContact NE2-OD1 3.41Å; V169-D173 WeakPolarHBondContact CA-OD2 3.46Å; V169-D173 WeakPolarHBondContact CB-OD2 3.49Å; E170-D173 PolarHBondContact N-OD2 2.66Å; E170-D173 VanDerWaalsContact O-CB 3.3Å; E170-D173 WeakPolarHBondContact O-CB 3.24Å; E170-D173 PolarHBondContact O-N 3.3Å; P171-D173 VanDerWaalsContact C-N 3.35Å; D173-N177 HydrophobicContact CB-CB 4.27Å; D173-N177 PolarHBondContact OD1-ND2 2.87Å; D173-V178 HydrophobicContact CB-CG2 4.38Å; D173-K181 WeakPolarHBondContact OD2-CE 3.24Å; D173-K181 IonicContact OD2-NZ 3.56Å; D173-K181 PolarHBondContact OD2-NZ 3.2Å; D173-T207 CarbonylContact O-C 3.6Å; D173-T207 VanDerWaalsContact O-CA 3.24Å; D173-T207 WeakPolarHBondContact O-CA 3.36Å; D173-L208 HydrophobicContact CB-CD1 4.33Å; D173-L208 HydrophobicContact CB-CG 4.48Å; D173-L208 PolarHBondContact O-N 2.67Å | ||
| 174 | T | 95.8 | Very high | 94.6 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -70.9 | 159.7 | 171.8 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | S172 E176 N177 V178 R206 | S172-T174 PolarHBondContact O-N 3.25Å; T174-E176 PolarHBondContact O-N 2.99Å; T174-N177 WeakPolarHBondContact O-CB 3.47Å; T174-N177 PolarHBondContact O-N 3.43Å; T174-N177 VanDerWaalsContact O-N 3.08Å; T174-N177 PolarHBondContact OG1-N 3.09Å; T174-N177 PolarHBondContact OG1-OD1 3.15Å; T174-N177 VanDerWaalsContact OG1-OD1 3.09Å; T174-V178 WeakPolarHBondContact O-CG2 3.11Å; T174-V178 PolarHBondContact O-N 2.76Å; T174-R206 CarbonylContact C-O 3.56Å; T174-R206 VanDerWaalsContact CA-O 3.22Å; T174-R206 WeakPolarHBondContact CA-O 3.48Å |
| 175 | I | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -31.5 | 173.4 | -60.1 | -54.2 | 0 | 0 | 0 | 110.8 | V178 K179 L195 L202 E203 D204 R206 L208 Y211 | I175-V178 PolarHBondContact O-N 3.34Å; I175-K179 WeakPolarHBondContact O-CG 3.38Å; I175-K179 PolarHBondContact O-N 3.35Å; I175-L195 HydrophobicContact CG2-CD1 4.15Å; I175-L202 HydrophobicContact CD1-CB 3.97Å; I175-L202 HydrophobicContact CD1-CD1 3.65Å; I175-L202 HydrophobicContact CD1-CG 4.35Å; I175-L202 HydrophobicContact CG1-CB 3.9Å; I175-L202 HydrophobicContact CG1-CD1 4.5Å; I175-L202 HydrophobicContact CG2-CB 3.82Å; I175-E203 VanDerWaalsContact CB-O 3.29Å; I175-E203 WeakPolarHBondContact CB-O 3.42Å; I175-E203 VanDerWaalsContact CG1-O 3.25Å; I175-E203 WeakPolarHBondContact CG1-O 3.45Å; I175-D204 PolarHBondContact N-O 2.89Å; I175-R206 WeakPolarHBondContact CG1-O 3.47Å; I175-R206 PolarHBondContact N-O 3.41Å; I175-L208 HydrophobicContact CD1-CD2 3.97Å; I175-Y211 HydrophobicContact CD1-CD2 4.21Å; I175-Y211 HydrophobicContact CD1-CE2 4.26Å; I175-Y211 HydrophobicContact CG1-CD2 4.39Å; I175-Y211 HydrophobicContact CG1-CE2 3.97Å |
| 176 | E | 96.4 | Very high | 94.4 | Very high | 117 Ų | 117 | 46.7 Ų | 46.7 | 55% | 0.547 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 169.2 | -170.6 | 170.7 | -163.6 | 0 | 0 | 112.1 | T174 V178 K179 A180 D204 | T174-E176 PolarHBondContact O-N 2.99Å; E176-V178 VanDerWaalsContact C-N 3.32Å; E176-V178 PolarHBondContact O-N 3.17Å; E176-K179 WeakPolarHBondContact O-CB 3.43Å; E176-K179 PolarHBondContact O-N 2.96Å; E176-K179 VanDerWaalsContact O-N 3.15Å; E176-A180 PolarHBondContact O-N 3.24Å; E176-D204 HydrophobicContact CB-CB 4.24Å; E176-D204 PolarHBondContact N-O 3.4Å; E176-D204 VanDerWaalsContact N-O 3.17Å |
| 177 | N | 94.2 | Very high | 94.3 | Very high | 66 Ų | 66 | 46.7 Ų | 46.7 | 35% | 0.353 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 175.4 | -66.7 | -1.9 | 0 | 0 | 0 | 111.4 | D173 T174 K179 A180 K181 | D173-N177 HydrophobicContact CB-CB 4.27Å; D173-N177 PolarHBondContact OD1-ND2 2.87Å; T174-N177 WeakPolarHBondContact O-CB 3.47Å; T174-N177 PolarHBondContact O-N 3.43Å; T174-N177 VanDerWaalsContact O-N 3.08Å; T174-N177 PolarHBondContact OG1-N 3.09Å; T174-N177 PolarHBondContact OG1-OD1 3.15Å; T174-N177 VanDerWaalsContact OG1-OD1 3.09Å; N177-K179 VanDerWaalsContact C-N 3.3Å; N177-K179 PolarHBondContact O-N 3.08Å; N177-A180 WeakPolarHBondContact O-CB 3.35Å; N177-A180 PolarHBondContact O-N 3.06Å; N177-K181 WeakPolarHBondContact O-CG 3.41Å; N177-K181 PolarHBondContact O-N 2.92Å |
| 178 | V | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 177.3 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | I155 L167 V169 D173 T174 I175 E176 K181 I182 L195 L208 | I155-V178 HydrophobicContact CD1-CG1 4.27Å; L167-V178 HydrophobicContact CD1-CG1 3.86Å; V169-V178 HydrophobicContact CG1-CG2 4.44Å; D173-V178 HydrophobicContact CB-CG2 4.38Å; T174-V178 WeakPolarHBondContact O-CG2 3.11Å; T174-V178 PolarHBondContact O-N 2.76Å; I175-V178 PolarHBondContact O-N 3.34Å; E176-V178 VanDerWaalsContact C-N 3.32Å; E176-V178 PolarHBondContact O-N 3.17Å; V178-K181 PolarHBondContact O-N 3.41Å; V178-I182 HydrophobicContact CG1-CD1 4.3Å; V178-I182 WeakPolarHBondContact O-CG1 3.33Å; V178-I182 PolarHBondContact O-N 2.9Å; V178-L195 HydrophobicContact CB-CD1 4.31Å; V178-L195 HydrophobicContact CG1-CD1 3.74Å; V178-L208 HydrophobicContact CG2-CD1 4.15Å; V178-L208 HydrophobicContact CG2-CD2 3.81Å; V178-L208 HydrophobicContact CG2-CG 4.05Å |
| 179 | K | 97.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 175.2 | -72.9 | 174.3 | 168.1 | -171 | 0 | 112.4 | I175 E176 N177 K181 I182 Q183 P190 Q193 L195 D204 | I175-K179 WeakPolarHBondContact O-CG 3.38Å; I175-K179 PolarHBondContact O-N 3.35Å; E176-K179 WeakPolarHBondContact O-CB 3.43Å; E176-K179 PolarHBondContact O-N 2.96Å; E176-K179 VanDerWaalsContact O-N 3.15Å; N177-K179 VanDerWaalsContact C-N 3.3Å; N177-K179 PolarHBondContact O-N 3.08Å; K179-K181 VanDerWaalsContact C-N 3.33Å; K179-K181 PolarHBondContact O-N 3.23Å; K179-I182 WeakPolarHBondContact O-CB 3.25Å; K179-I182 PolarHBondContact O-N 2.98Å; K179-Q183 PolarHBondContact O-N 2.93Å; K179-P190 HydrophobicContact CB-CB 3.91Å; K179-P190 HydrophobicContact CB-CG 4.33Å; K179-P190 HydrophobicContact CD-CB 4.19Å; K179-P190 PolarHBondContact NZ-O 3.41Å; K179-Q193 VanDerWaalsContact CA-OE1 3.26Å; K179-Q193 HydrophobicContact CD-CB 4.28Å; K179-Q193 VanDerWaalsContact CE-O 3.22Å; K179-Q193 WeakPolarHBondContact CE-O 3.29Å; K179-Q193 HydrophobicContact CG-CB 4.06Å; K179-Q193 PolarHBondContact NZ-O 2.73Å; K179-Q193 PolarHBondContact O-NE2 2.85Å; K179-Q193 PolarHBondContact O-OE1 3.43Å; K179-L195 HydrophobicContact CG-CD1 3.87Å; K179-L195 HydrophobicContact CG-CG 4.38Å; K179-D204 WeakPolarHBondContact CE-OD1 3.43Å; K179-D204 VanDerWaalsContact NZ-CG 3.32Å; K179-D204 IonicContact NZ-OD1 2.67Å; K179-D204 PolarHBondContact NZ-OD1 3.45Å; K179-D204 IonicContact NZ-OD2 3.15Å; K179-D204 PolarHBondContact NZ-OD2 2.74Å; K179-D204 VanDerWaalsContact NZ-OD2 3.15Å |
| 180 | A | 95.1 | Very high | 94.5 | Very high | 38 Ų | 38 | 49 Ų | 49 | 31% | 0.314 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E176 N177 I182 Q183 D184 | E176-A180 PolarHBondContact O-N 3.24Å; N177-A180 WeakPolarHBondContact O-CB 3.35Å; N177-A180 PolarHBondContact O-N 3.06Å; A180-I182 VanDerWaalsContact C-N 3.27Å; A180-I182 PolarHBondContact O-N 2.98Å; A180-Q183 CarbonylContact O-C 3.57Å; A180-Q183 WeakPolarHBondContact O-CA 3.25Å; A180-Q183 VanDerWaalsContact O-CB 3.27Å; A180-Q183 WeakPolarHBondContact O-CB 3.27Å; A180-Q183 PolarHBondContact O-N 3.18Å; A180-D184 PolarHBondContact O-N 3.02Å |
| 181 | K | 94.3 | Very high | 94.5 | Very high | 32 Ų | 32 | 52.6 Ų | 52.6 | 14% | 0.139 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.3 | -34.4 | 175.5 | -67.2 | 166.9 | -171.4 | -94 | 0 | 113.1 | L167 E168 V169 D173 N177 V178 K179 K185 | L167-K181 HydrophobicContact CD2-CB 4.31Å; E168-K181 PolarHBondContact O-NZ 3.16Å; V169-K181 HydrophobicContact CG1-CD 4.11Å; D173-K181 WeakPolarHBondContact OD2-CE 3.24Å; D173-K181 IonicContact OD2-NZ 3.56Å; D173-K181 PolarHBondContact OD2-NZ 3.2Å; N177-K181 WeakPolarHBondContact O-CG 3.41Å; N177-K181 PolarHBondContact O-N 2.92Å; V178-K181 PolarHBondContact O-N 3.41Å; K179-K181 VanDerWaalsContact C-N 3.33Å; K179-K181 PolarHBondContact O-N 3.23Å; K181-K185 PolarHBondContact O-N 2.92Å |
| 182 | I | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.9 | -41 | 172.9 | -65.9 | 164.2 | 0 | 0 | 0 | 110.6 | V157 L167 V178 K179 A180 D184 K185 E186 I188 L195 L221 | V157-I182 HydrophobicContact CG1-CD1 4.1Å; V157-I182 HydrophobicContact CG2-CD1 4.11Å; V157-I182 HydrophobicContact CG2-CG1 4.45Å; L167-I182 HydrophobicContact CD1-CD1 4.19Å; L167-I182 HydrophobicContact CD1-CG1 3.65Å; L167-I182 HydrophobicContact CD2-CG1 4.37Å; V178-I182 HydrophobicContact CG1-CD1 4.3Å; V178-I182 WeakPolarHBondContact O-CG1 3.33Å; V178-I182 PolarHBondContact O-N 2.9Å; K179-I182 WeakPolarHBondContact O-CB 3.25Å; K179-I182 PolarHBondContact O-N 2.98Å; A180-I182 VanDerWaalsContact C-N 3.27Å; A180-I182 PolarHBondContact O-N 2.98Å; I182-D184 VanDerWaalsContact C-N 3.3Å; I182-D184 PolarHBondContact O-N 3.25Å; I182-K185 PolarHBondContact O-N 2.9Å; I182-E186 HydrophobicContact CG2-CB 4.49Å; I182-E186 WeakPolarHBondContact O-CB 3.35Å; I182-E186 PolarHBondContact O-N 3.19Å; I182-I188 HydrophobicContact CG2-CD1 4.5Å; I182-L195 HydrophobicContact CD1-CD1 4.02Å; I182-L195 HydrophobicContact CD1-CD2 3.64Å; I182-L195 HydrophobicContact CD1-CG 4.38Å; I182-L221 HydrophobicContact CG2-CD2 3.97Å |
| 183 | Q | 95.3 | Very high | 94.7 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 36% | 0.36 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 175 | -176.2 | -178.9 | 13.8 | 0 | 0 | 110.9 | K179 A180 K185 G187 I188 | K179-Q183 PolarHBondContact O-N 2.93Å; A180-Q183 CarbonylContact O-C 3.57Å; A180-Q183 WeakPolarHBondContact O-CA 3.25Å; A180-Q183 VanDerWaalsContact O-CB 3.27Å; A180-Q183 WeakPolarHBondContact O-CB 3.27Å; A180-Q183 PolarHBondContact O-N 3.18Å; Q183-K185 VanDerWaalsContact C-N 3.29Å; Q183-K185 PolarHBondContact O-N 3.06Å; Q183-G187 WeakPolarHBondContact O-CA 3.32Å; Q183-G187 PolarHBondContact O-N 2.89Å; Q183-I188 WeakPolarHBondContact CA-O 3.48Å; Q183-I188 WeakPolarHBondContact CB-O 3.49Å; Q183-I188 WeakPolarHBondContact CG-O 3.22Å |
| 184 | D | 91 | Very high | 94.8 | Very high | 127 Ų | 127 | 52.3 Ų | 52.3 | 68% | 0.679 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.3 | -34.5 | -179.9 | -65.6 | -27 | 0 | 0 | 0 | 112.5 | A180 I182 | A180-D184 PolarHBondContact O-N 3.02Å; I182-D184 VanDerWaalsContact C-N 3.3Å; I182-D184 PolarHBondContact O-N 3.25Å |
| 185 | K | 92.7 | Very high | 94.9 | Very high | 124 Ų | 124 | 50.7 Ų | 50.7 | 54% | 0.539 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -86 | -35.7 | -179.8 | -75.9 | -177.7 | -178.9 | -77.5 | 0 | 114.3 | I165 T166 L167 K181 I182 Q183 | I165-K185 HydrophobicContact CG2-CD 3.86Å; T166-K185 VanDerWaalsContact O-CE 3.25Å; T166-K185 WeakPolarHBondContact O-CE 3.08Å; L167-K185 HydrophobicContact CD2-CD 3.59Å; K181-K185 PolarHBondContact O-N 2.92Å; I182-K185 PolarHBondContact O-N 2.9Å; Q183-K185 VanDerWaalsContact C-N 3.29Å; Q183-K185 PolarHBondContact O-N 3.06Å |
| 186 | E | 93.7 | Very high | 94.9 | Very high | 63 Ų | 63 | 52.6 Ų | 52.6 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -120.4 | -6.9 | -169.1 | -60.2 | -67.4 | 132.1 | 0 | 0 | 113.8 | K163 I165 I182 I188 | K163-E186 WeakPolarHBondContact CE-OE1 3.42Å; K163-E186 IonicContact NZ-OE1 2.69Å; K163-E186 PolarHBondContact NZ-OE1 3.48Å; K163-E186 IonicContact NZ-OE2 2.68Å; K163-E186 PolarHBondContact NZ-OE2 2.82Å; I165-E186 HydrophobicContact CD1-CG 3.44Å; I165-E186 VanDerWaalsContact CD1-CG 3.44Å; I165-E186 HydrophobicContact CG1-CG 4.15Å; I182-E186 HydrophobicContact CG2-CB 4.49Å; I182-E186 WeakPolarHBondContact O-CB 3.35Å; I182-E186 PolarHBondContact O-N 3.19Å; E186-I188 VanDerWaalsContact C-N 3.29Å; E186-I188 HydrophobicContact CB-CD1 3.74Å; E186-I188 HydrophobicContact CB-CG1 4.03Å; E186-I188 PolarHBondContact O-N 3.32Å |
| 187 | G | 93.3 | Very high | 95 | Very high | 58 Ų | 58 | 49.1 Ų | 49.1 | 60% | 0.598 | 26% | 0.262 | S | S | * | . | trans | 73.5 | 14.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q183 P189 | Q183-G187 WeakPolarHBondContact O-CA 3.32Å; Q183-G187 PolarHBondContact O-N 2.89Å; G187-P189 WeakPolarHBondContact O-CD 3.31Å | ||
| 188 | I | 92.4 | Very high | 95 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 16% | 0.159 | 28% | 0.279 | C | S | . | . | trans | -91.1 | 119.1 | -175.2 | -56.7 | 162.3 | 0 | 0 | 0 | 109.6 | I182 Q183 E186 Q192 Q193 L221 L223 | I182-I188 HydrophobicContact CG2-CD1 4.5Å; Q183-I188 WeakPolarHBondContact CA-O 3.48Å; Q183-I188 WeakPolarHBondContact CB-O 3.49Å; Q183-I188 WeakPolarHBondContact CG-O 3.22Å; E186-I188 VanDerWaalsContact C-N 3.29Å; E186-I188 HydrophobicContact CB-CD1 3.74Å; E186-I188 HydrophobicContact CB-CG1 4.03Å; E186-I188 PolarHBondContact O-N 3.32Å; I188-Q192 HydrophobicContact CG2-CB 4.34Å; I188-Q193 HydrophobicContact CB-CG 4.29Å; I188-Q193 HydrophobicContact CG2-CG 3.61Å; I188-Q193 PolarHBondContact O-NE2 3.31Å; I188-L221 HydrophobicContact CD1-CD2 3.92Å; I188-L223 HydrophobicContact CD1-CD2 4.08Å; I188-L223 HydrophobicContact CG2-CD2 3.71Å | ||
| 189 | P | 94.2 | Very high | 94.9 | Very high | 38 Ų | 38 | 53.8 Ų | 53.8 | 25% | 0.247 | 32% | 0.317 | C | S | . | . | trans | -60.3 | 138.9 | 178.3 | -27.6 | 37.7 | 0 | 0 | 0 | 113.9 | G187 D191 Q192 Q193 | G187-P189 WeakPolarHBondContact O-CD 3.31Å; P189-D191 VanDerWaalsContact C-N 3.27Å; P189-D191 WeakPolarHBondContact CB-OD1 3.42Å; P189-D191 PolarHBondContact O-N 2.86Å; P189-Q192 HydrophobicContact CB-CG 4.44Å; P189-Q192 WeakPolarHBondContact O-CB 3.29Å; P189-Q192 PolarHBondContact O-N 2.89Å; P189-Q193 WeakPolarHBondContact O-CG 3.14Å; P189-Q193 PolarHBondContact O-N 3.42Å | ||
| 190 | P | 95.1 | Very high | 94.9 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 23% | 0.234 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -55 | -32.6 | -176.8 | -31.4 | 36.9 | 0 | 0 | 0 | 116 | K179 Q192 Q193 | K179-P190 HydrophobicContact CB-CB 3.91Å; K179-P190 HydrophobicContact CB-CG 4.33Å; K179-P190 HydrophobicContact CD-CB 4.19Å; K179-P190 PolarHBondContact NZ-O 3.41Å; P190-Q192 VanDerWaalsContact C-N 3.26Å; P190-Q192 PolarHBondContact O-N 3.15Å; P190-Q193 PolarHBondContact O-N 3.21Å; P190-Q193 VanDerWaalsContact O-N 3.17Å |
| 191 | D | 93.3 | Very high | 94.9 | Very high | 109 Ų | 109 | 62.3 Ų | 62.3 | 58% | 0.583 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -67.2 | -27.3 | 176.5 | 62.5 | -53.4 | 0 | 0 | 0 | 112.6 | P189 | P189-D191 VanDerWaalsContact C-N 3.27Å; P189-D191 WeakPolarHBondContact CB-OD1 3.42Å; P189-D191 PolarHBondContact O-N 2.86Å |
| 192 | Q | 94.6 | Very high | 95.1 | Very high | 41 Ų | 41 | 61 Ų | 61 | 19% | 0.192 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -86.3 | -10.1 | 175.2 | -64.7 | 173.6 | 16.4 | 0 | 0 | 112.7 | I188 P189 P190 L223 R224 | I188-Q192 HydrophobicContact CG2-CB 4.34Å; P189-Q192 HydrophobicContact CB-CG 4.44Å; P189-Q192 WeakPolarHBondContact O-CB 3.29Å; P189-Q192 PolarHBondContact O-N 2.89Å; P190-Q192 VanDerWaalsContact C-N 3.26Å; P190-Q192 PolarHBondContact O-N 3.15Å; Q192-L223 WeakPolarHBondContact O-CA 3.46Å; Q192-R224 PolarHBondContact O-N 2.67Å |
| 193 | Q | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 127.6 | -178.7 | -61.7 | -178.6 | 38.5 | 0 | 0 | 111.8 | K179 I188 P189 P190 L221 | K179-Q193 VanDerWaalsContact CA-OE1 3.26Å; K179-Q193 HydrophobicContact CD-CB 4.28Å; K179-Q193 VanDerWaalsContact CE-O 3.22Å; K179-Q193 WeakPolarHBondContact CE-O 3.29Å; K179-Q193 HydrophobicContact CG-CB 4.06Å; K179-Q193 PolarHBondContact NZ-O 2.73Å; K179-Q193 PolarHBondContact O-NE2 2.85Å; K179-Q193 PolarHBondContact O-OE1 3.43Å; I188-Q193 HydrophobicContact CB-CG 4.29Å; I188-Q193 HydrophobicContact CG2-CG 3.61Å; I188-Q193 PolarHBondContact O-NE2 3.31Å; P189-Q193 WeakPolarHBondContact O-CG 3.14Å; P189-Q193 PolarHBondContact O-N 3.42Å; P190-Q193 PolarHBondContact O-N 3.21Å; P190-Q193 VanDerWaalsContact O-N 3.17Å; Q193-L221 HydrophobicContact CB-CD1 3.77Å; Q193-L221 HydrophobicContact CG-CD1 3.96Å |
| 194 | R | 96.3 | Very high | 95.2 | Very high | 99 Ų | 99 | 65.3 Ų | 65.3 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 108.6 | 166.9 | -171.1 | -174.5 | -170 | -176.7 | 2.7 | 109.2 | I196 Q201 V222 R224 | R194-I196 HydrophobicContact CG-CG1 4.49Å; R194-Q201 HydrophobicContact CG-CG 4.01Å; R194-V222 WeakPolarHBondContact CA-O 3.2Å; R194-V222 HydrophobicContact CB-CB 4.24Å; R194-V222 VanDerWaalsContact CB-O 3.29Å; R194-V222 WeakPolarHBondContact CB-O 3.4Å; R194-V222 PolarHBondContact N-O 2.79Å; R194-V222 PolarHBondContact O-N 2.92Å; R194-R224 HydrophobicContact CB-CG 4.44Å |
| 195 | L | 97.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 135.6 | 176.5 | -62.6 | 178.5 | 0 | 0 | 0 | 110.6 | V157 I175 V178 K179 I182 L202 L219 H220 L221 | V157-L195 HydrophobicContact CG1-CD2 4.32Å; I175-L195 HydrophobicContact CG2-CD1 4.15Å; V178-L195 HydrophobicContact CB-CD1 4.31Å; V178-L195 HydrophobicContact CG1-CD1 3.74Å; K179-L195 HydrophobicContact CG-CD1 3.87Å; K179-L195 HydrophobicContact CG-CG 4.38Å; I182-L195 HydrophobicContact CD1-CD1 4.02Å; I182-L195 HydrophobicContact CD1-CD2 3.64Å; I182-L195 HydrophobicContact CD1-CG 4.38Å; L195-L202 HydrophobicContact CB-CB 4.27Å; L195-L202 HydrophobicContact CB-CD1 4Å; L195-L202 HydrophobicContact CB-CG 4.32Å; L195-L202 PolarHBondContact O-N 2.88Å; L195-L219 HydrophobicContact CD1-CD2 4.4Å; L195-H220 WeakPolarHBondContact CA-O 3.45Å; L195-L221 HydrophobicContact CD2-CB 4.15Å; L195-L221 HydrophobicContact CD2-CD1 3.8Å |
| 196 | I | 97.9 | Very high | 95.5 | Very high | 41 Ų | 41 | 62 Ų | 62 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 132.9 | -178.1 | -58.6 | 171.3 | 0 | 0 | 0 | 108.9 | R194 K200 H220 V222 | R194-I196 HydrophobicContact CG-CG1 4.49Å; I196-K200 CarbonylContact C-O 3.58Å; I196-K200 VanDerWaalsContact CA-O 3.29Å; I196-K200 WeakPolarHBondContact CA-O 3.34Å; I196-H220 HydrophobicContact CB-CB 4.33Å; I196-H220 PolarHBondContact N-O 2.99Å; I196-H220 PolarHBondContact O-N 2.99Å; I196-V222 HydrophobicContact CD1-CB 4.48Å; I196-V222 HydrophobicContact CD1-CG2 3.72Å |
| 197 | F | 98.1 | Very high | 95.7 | Very high | 44 Ų | 44 | 60.5 Ų | 60.5 | 19% | 0.193 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 136.7 | 173.9 | -177.3 | -111.8 | 0 | 0 | 0 | 109.6 | G199 K200 L202 I213 T218 L219 | F197-G199 PolarHBondContact O-N 2.92Å; F197-G199 VanDerWaalsContact O-N 3.12Å; F197-K200 PolarHBondContact N-O 3.12Å; F197-K200 PolarHBondContact O-N 3.21Å; F197-L202 HydrophobicContact CB-CD1 4.13Å; F197-L202 HydrophobicContact CB-CD2 3.93Å; F197-L202 HydrophobicContact CB-CG 4.31Å; F197-I213 HydrophobicContact CB-CD1 4.39Å; F197-I213 HydrophobicContact CD1-CD1 4.1Å; F197-I213 HydrophobicContact CD1-CG1 3.58Å; F197-I213 HydrophobicContact CD2-CG1 4.38Å; F197-I213 HydrophobicContact CE1-CG1 3.62Å; F197-I213 HydrophobicContact CE2-CG1 4.43Å; F197-I213 HydrophobicContact CG-CD1 4.18Å; F197-I213 HydrophobicContact CG-CG1 3.98Å; F197-I213 HydrophobicContact CZ-CG1 4.06Å; F197-T218 WeakPolarHBondContact CD2-O 3.5Å; F197-L219 HydrophobicContact CB-CG 4.37Å; F197-L219 HydrophobicContact CD2-CD1 4.18Å; F197-L219 HydrophobicContact CD2-CG 4.43Å |
| 198 | A | 95 | Very high | 95.9 | Very high | 86 Ų | 86 | 57.7 Ų | 57.7 | 71% | 0.711 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 40.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | K200 | A198-K200 PolarHBondContact O-N 2.82Š|
| 199 | G | 94 | Very high | 96.1 | Very high | 77 Ų | 77 | 59.1 Ų | 59.1 | 79% | 0.794 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | -0.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F197 | F197-G199 PolarHBondContact O-N 2.92Å; F197-G199 VanDerWaalsContact O-N 3.12Å |
| 200 | K | 96 | Very high | 96.3 | Very high | 147 Ų | 147 | 61.9 Ų | 61.9 | 64% | 0.639 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 138.2 | 178.5 | -64.9 | -175.9 | -179.3 | 179.8 | 0 | 110.8 | I196 F197 A198 | I196-K200 CarbonylContact C-O 3.58Å; I196-K200 VanDerWaalsContact CA-O 3.29Å; I196-K200 WeakPolarHBondContact CA-O 3.34Å; F197-K200 PolarHBondContact N-O 3.12Å; F197-K200 PolarHBondContact O-N 3.21Å; A198-K200 PolarHBondContact O-N 2.82Å |
| 201 | Q | 96.8 | Very high | 96.4 | Very high | 78 Ų | 78 | 61.8 Ų | 61.8 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 135.9 | 166.8 | 179.7 | -176.3 | -37.3 | 0 | 0 | 109.2 | R194 R224 | R194-Q201 HydrophobicContact CG-CG 4.01Å; Q201-R224 VanDerWaalsContact NE2-NH2 3.13Å |
| 202 | L | 97.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 143.2 | 177.8 | -54.7 | -173.8 | 0 | 0 | 0 | 110.9 | I175 L195 F197 Y211 I213 L219 | I175-L202 HydrophobicContact CD1-CB 3.97Å; I175-L202 HydrophobicContact CD1-CD1 3.65Å; I175-L202 HydrophobicContact CD1-CG 4.35Å; I175-L202 HydrophobicContact CG1-CB 3.9Å; I175-L202 HydrophobicContact CG1-CD1 4.5Å; I175-L202 HydrophobicContact CG2-CB 3.82Å; L195-L202 HydrophobicContact CB-CB 4.27Å; L195-L202 HydrophobicContact CB-CD1 4Å; L195-L202 HydrophobicContact CB-CG 4.32Å; L195-L202 PolarHBondContact O-N 2.88Å; F197-L202 HydrophobicContact CB-CD1 4.13Å; F197-L202 HydrophobicContact CB-CD2 3.93Å; F197-L202 HydrophobicContact CB-CG 4.31Å; L202-Y211 HydrophobicContact CB-CE2 4.16Å; L202-Y211 HydrophobicContact CD2-CD1 3.65Å; L202-Y211 HydrophobicContact CD2-CD2 3.7Å; L202-Y211 HydrophobicContact CD2-CE1 3.69Å; L202-Y211 HydrophobicContact CD2-CE2 3.71Å; L202-Y211 HydrophobicContact CD2-CG 3.65Å; L202-Y211 HydrophobicContact CG-CE2 4.48Å; L202-I213 HydrophobicContact CD1-CD1 3.92Å; L202-L219 HydrophobicContact CD1-CD2 3.65Å; L202-L219 HydrophobicContact CD1-CG 4.18Å |
| 203 | E | 97.2 | Very high | 96.7 | Very high | 100 Ų | 100 | 60.4 Ų | 60.4 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -102.3 | 133.6 | -178.5 | -67.3 | 169.6 | -167.4 | 0 | 0 | 110.3 | I175 G205 R206 Y211 | I175-E203 VanDerWaalsContact CB-O 3.29Å; I175-E203 WeakPolarHBondContact CB-O 3.42Å; I175-E203 VanDerWaalsContact CG1-O 3.25Å; I175-E203 WeakPolarHBondContact CG1-O 3.45Å; E203-G205 VanDerWaalsContact C-N 3.29Å; E203-G205 PolarHBondContact O-N 3.28Å; E203-R206 HydrophobicContact CB-CG 4.24Å; E203-R206 PolarHBondContact O-N 2.73Å; E203-R206 VanDerWaalsContact O-N 3.07Å; E203-R206 IonicContact OE1-NH2 2.7Å; E203-R206 IonicContact OE2-CZ 2.79Å; E203-R206 VanDerWaalsContact OE2-CZ 3.3Å; E203-R206 IonicContact OE2-NE 3.92Å; E203-R206 PolarHBondContact OE2-NE 3.18Å; E203-R206 IonicContact OE2-NH2 2.96Å; E203-R206 PolarHBondContact OE2-NH2 3.4Å; E203-Y211 WeakPolarHBondContact CB-OH 3.03Å; E203-Y211 PolarHBondContact N-OH 3.36Å |
| 204 | D | 95.7 | Very high | 96.6 | Very high | 67 Ų | 67 | 65.9 Ų | 65.9 | 36% | 0.358 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -38.7 | -170.1 | -69.1 | -11.3 | 0 | 0 | 0 | 113.5 | I175 E176 K179 R206 | I175-D204 PolarHBondContact N-O 2.89Å; E176-D204 HydrophobicContact CB-CB 4.24Å; E176-D204 PolarHBondContact N-O 3.4Å; E176-D204 VanDerWaalsContact N-O 3.17Å; K179-D204 WeakPolarHBondContact CE-OD1 3.43Å; K179-D204 VanDerWaalsContact NZ-CG 3.32Å; K179-D204 IonicContact NZ-OD1 2.67Å; K179-D204 PolarHBondContact NZ-OD1 3.45Å; K179-D204 IonicContact NZ-OD2 3.15Å; K179-D204 PolarHBondContact NZ-OD2 2.74Å; K179-D204 VanDerWaalsContact NZ-OD2 3.15Å; D204-R206 VanDerWaalsContact C-N 3.32Å; D204-R206 PolarHBondContact O-N 3.29Å |
| 205 | G | 93.8 | Very high | 96.5 | Very high | 74 Ų | 74 | 67 Ų | 67 | 76% | 0.763 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116 | E203 | E203-G205 VanDerWaalsContact C-N 3.29Å; E203-G205 PolarHBondContact O-N 3.28Å |
| 206 | R | 96.8 | Very high | 96.4 | Very high | 107 Ų | 107 | 72.8 Ų | 72.8 | 40% | 0.404 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -98.6 | 159.1 | 175.2 | -65.6 | -160 | -158.6 | -159.4 | -1.1 | 111.1 | T174 I175 E203 D204 D210 Y211 | T174-R206 CarbonylContact C-O 3.56Å; T174-R206 VanDerWaalsContact CA-O 3.22Å; T174-R206 WeakPolarHBondContact CA-O 3.48Å; I175-R206 WeakPolarHBondContact CG1-O 3.47Å; I175-R206 PolarHBondContact N-O 3.41Å; E203-R206 HydrophobicContact CB-CG 4.24Å; E203-R206 PolarHBondContact O-N 2.73Å; E203-R206 VanDerWaalsContact O-N 3.07Å; E203-R206 IonicContact OE1-NH2 2.7Å; E203-R206 IonicContact OE2-CZ 2.79Å; E203-R206 VanDerWaalsContact OE2-CZ 3.3Å; E203-R206 IonicContact OE2-NE 3.92Å; E203-R206 PolarHBondContact OE2-NE 3.18Å; E203-R206 IonicContact OE2-NH2 2.96Å; E203-R206 PolarHBondContact OE2-NH2 3.4Å; D204-R206 VanDerWaalsContact C-N 3.32Å; D204-R206 PolarHBondContact O-N 3.29Å; R206-D210 HydrophobicContact CB-CB 4.19Å; R206-Y211 HydrophobicContact CB-CD2 4.33Å; R206-Y211 HydrophobicContact CB-CE2 3.57Å; R206-Y211 WeakPolarHBondContact CD-OH 3.41Å; R206-Y211 HydrophobicContact CG-CE2 4.32Å |
| 207 | T | 97 | Very high | 96.4 | Very high | 31 Ų | 31 | 71.8 Ų | 71.8 | 19% | 0.19 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -92.7 | 165.1 | 178 | 65.9 | 0 | 0 | 0 | 0 | 112.5 | S172 D173 S209 D210 Y211 | S172-T207 WeakPolarHBondContact O-CG2 3.17Å; D173-T207 CarbonylContact O-C 3.6Å; D173-T207 VanDerWaalsContact O-CA 3.24Å; D173-T207 WeakPolarHBondContact O-CA 3.36Å; T207-S209 PolarHBondContact O-N 3.43Å; T207-D210 PolarHBondContact N-OD2 2.83Å; T207-D210 PolarHBondContact O-N 2.82Å; T207-D210 PolarHBondContact OG1-N 2.83Å; T207-D210 VanDerWaalsContact OG1-N 3.11Å; T207-D210 PolarHBondContact OG1-OD2 2.95Å; T207-Y211 WeakPolarHBondContact O-CD2 3.47Å |
| 208 | L | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -39.4 | 169.2 | -68.3 | -175.9 | 0 | 0 | 0 | 111.7 | M153 I155 V169 P171 D173 I175 V178 D210 Y211 N212 I213 | M153-L208 HydrophobicContact CE-CD1 4.47Å; I155-L208 HydrophobicContact CD1-CD1 4.12Å; I155-L208 HydrophobicContact CD1-CD2 4.24Å; V169-L208 HydrophobicContact CB-CD1 3.58Å; V169-L208 HydrophobicContact CG1-CD1 4.07Å; V169-L208 HydrophobicContact CG2-CD1 3.48Å; V169-L208 VanDerWaalsContact CG2-CD1 3.48Å; P171-L208 PolarHBondContact O-N 2.74Å; D173-L208 HydrophobicContact CB-CD1 4.33Å; D173-L208 HydrophobicContact CB-CG 4.48Å; D173-L208 PolarHBondContact O-N 2.67Å; I175-L208 HydrophobicContact CD1-CD2 3.97Å; V178-L208 HydrophobicContact CG2-CD1 4.15Å; V178-L208 HydrophobicContact CG2-CD2 3.81Å; V178-L208 HydrophobicContact CG2-CG 4.05Å; L208-D210 VanDerWaalsContact C-N 3.34Å; L208-D210 PolarHBondContact O-N 2.88Å; L208-Y211 PolarHBondContact O-N 2.82Å; L208-N212 PolarHBondContact O-N 2.83Å; L208-I213 HydrophobicContact CB-CB 4.17Å; L208-I213 HydrophobicContact CD2-CB 4.19Å; L208-I213 HydrophobicContact CD2-CD1 3.64Å; L208-I213 HydrophobicContact CD2-CG2 4.07Å; L208-I213 WeakPolarHBondContact O-CB 3.45Å; L208-I213 PolarHBondContact O-N 3.17Å |
| 209 | S | 96.9 | Very high | 96.5 | Very high | 61 Ų | 61 | 67.7 Ų | 67.7 | 43% | 0.427 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -62.9 | -37.2 | 177.1 | -170.2 | 0 | 0 | 0 | 0 | 112.6 | P171 T207 Y211 N212 | P171-S209 VanDerWaalsContact O-CB 3.31Å; P171-S209 WeakPolarHBondContact O-CB 3.21Å; P171-S209 PolarHBondContact O-N 3.45Å; T207-S209 PolarHBondContact O-N 3.43Å; S209-Y211 PolarHBondContact O-N 2.89Å; S209-Y211 VanDerWaalsContact O-N 3.16Å; S209-N212 PolarHBondContact O-N 2.88Å |
| 210 | D | 97.6 | Very high | 96.7 | Very high | 95 Ų | 95 | 68.6 Ų | 68.6 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -61.1 | -26.3 | 177.8 | -66.2 | -39.7 | 0 | 0 | 0 | 112.9 | R206 T207 L208 | R206-D210 HydrophobicContact CB-CB 4.19Å; T207-D210 PolarHBondContact N-OD2 2.83Å; T207-D210 PolarHBondContact O-N 2.82Å; T207-D210 PolarHBondContact OG1-N 2.83Å; T207-D210 VanDerWaalsContact OG1-N 3.11Å; T207-D210 PolarHBondContact OG1-OD2 2.95Å; L208-D210 VanDerWaalsContact C-N 3.34Å; L208-D210 PolarHBondContact O-N 2.88Å |
| 211 | Y | 97.4 | Very high | 96.8 | Very high | 35 Ų | 35 | 61.8 Ų | 61.8 | 14% | 0.137 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -97.7 | 5.6 | 175.7 | -68.2 | -71.3 | 0 | 0 | 0 | 113.4 | I175 L202 E203 R206 T207 L208 S209 I213 | I175-Y211 HydrophobicContact CD1-CD2 4.21Å; I175-Y211 HydrophobicContact CD1-CE2 4.26Å; I175-Y211 HydrophobicContact CG1-CD2 4.39Å; I175-Y211 HydrophobicContact CG1-CE2 3.97Å; L202-Y211 HydrophobicContact CB-CE2 4.16Å; L202-Y211 HydrophobicContact CD2-CD1 3.65Å; L202-Y211 HydrophobicContact CD2-CD2 3.7Å; L202-Y211 HydrophobicContact CD2-CE1 3.69Å; L202-Y211 HydrophobicContact CD2-CE2 3.71Å; L202-Y211 HydrophobicContact CD2-CG 3.65Å; L202-Y211 HydrophobicContact CG-CE2 4.48Å; E203-Y211 WeakPolarHBondContact CB-OH 3.03Å; E203-Y211 PolarHBondContact N-OH 3.36Å; R206-Y211 HydrophobicContact CB-CD2 4.33Å; R206-Y211 HydrophobicContact CB-CE2 3.57Å; R206-Y211 WeakPolarHBondContact CD-OH 3.41Å; R206-Y211 HydrophobicContact CG-CE2 4.32Å; T207-Y211 WeakPolarHBondContact O-CD2 3.47Å; L208-Y211 PolarHBondContact O-N 2.82Å; S209-Y211 PolarHBondContact O-N 2.89Å; S209-Y211 VanDerWaalsContact O-N 3.16Å; Y211-I213 PolarHBondContact O-N 3.42Å |
| 212 | N | 96.4 | Very high | 96.7 | Very high | 119 Ų | 119 | 59.9 Ų | 59.9 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 33.8 | -171.7 | -65.7 | -52.2 | 0 | 0 | 0 | 112.8 | L208 S209 Q214 | L208-N212 PolarHBondContact O-N 2.83Å; S209-N212 PolarHBondContact O-N 2.88Å; N212-Q214 PolarHBondContact O-N 2.68Å; N212-Q214 PolarHBondContact O-NE2 2.69Å |
| 213 | I | 97.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | trans | -72.4 | 115.4 | 175 | -66.2 | 167 | 0 | 0 | 0 | 107.1 | M153 I155 F197 L202 L208 Y211 L219 | M153-I213 WeakPolarHBondContact CE-O 3.29Å; I155-I213 HydrophobicContact CG2-CG2 3.91Å; F197-I213 HydrophobicContact CB-CD1 4.39Å; F197-I213 HydrophobicContact CD1-CD1 4.1Å; F197-I213 HydrophobicContact CD1-CG1 3.58Å; F197-I213 HydrophobicContact CD2-CG1 4.38Å; F197-I213 HydrophobicContact CE1-CG1 3.62Å; F197-I213 HydrophobicContact CE2-CG1 4.43Å; F197-I213 HydrophobicContact CG-CD1 4.18Å; F197-I213 HydrophobicContact CG-CG1 3.98Å; F197-I213 HydrophobicContact CZ-CG1 4.06Å; L202-I213 HydrophobicContact CD1-CD1 3.92Å; L208-I213 HydrophobicContact CB-CB 4.17Å; L208-I213 HydrophobicContact CD2-CB 4.19Å; L208-I213 HydrophobicContact CD2-CD1 3.64Å; L208-I213 HydrophobicContact CD2-CG2 4.07Å; L208-I213 WeakPolarHBondContact O-CB 3.45Å; L208-I213 PolarHBondContact O-N 3.17Å; Y211-I213 PolarHBondContact O-N 3.42Å; I213-L219 HydrophobicContact CD1-CD1 4.19Å; I213-L219 HydrophobicContact CD1-CD2 4.31Å; I213-L219 HydrophobicContact CD1-CG 4.4Å; I213-L219 HydrophobicContact CG2-CD1 3.95Å | ||
| 214 | Q | 95.2 | Very high | 95.8 | Very high | 115 Ų | 115 | 64.8 Ų | 64.8 | 54% | 0.537 | 34% | 0.338 | S | S | . | . | trans | -99.2 | 170.1 | -178.6 | -59.9 | -54.7 | -46.7 | 0 | 0 | 111.2 | M153 N212 E216 S217 | M153-Q214 VanDerWaalsContact CE-C 3.46Å; N212-Q214 PolarHBondContact O-N 2.68Å; N212-Q214 PolarHBondContact O-NE2 2.69Å; Q214-E216 PolarHBondContact O-N 3.48Å; Q214-S217 PolarHBondContact N-OG 3.16Å; Q214-S217 WeakPolarHBondContact O-CB 3.49Å; Q214-S217 PolarHBondContact O-N 3.33Å; Q214-S217 PolarHBondContact O-OG 2.78Å | ||
| 215 | K | 93.8 | Very high | 94.8 | Very high | 123 Ų | 123 | 69.7 Ų | 69.7 | 54% | 0.535 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | 138 | 168 | -179.7 | 173.1 | 176.4 | 177.4 | 0 | 110.4 | M153 S217 | M153-K215 HydrophobicContact CG-CB 4.09Å; K215-S217 PolarHBondContact O-N 2.88Å |
| 216 | E | 95.4 | Very high | 93.4 | Very high | 121 Ų | 121 | 76.4 Ų | 76.4 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 8.5 | -178.7 | -67 | 164.1 | -155.4 | 0 | 0 | 115.3 | Q154 F156 Q214 | Q154-E216 PolarHBondContact O-N 3.26Å; F156-E216 WeakPolarHBondContact CD2-O 3.45Å; F156-E216 HydrophobicContact CE2-CB 3.85Å; F156-E216 HydrophobicContact CE2-CG 3.91Å; F156-E216 HydrophobicContact CZ-CG 4.33Å; Q214-E216 PolarHBondContact O-N 3.48Å |
| 217 | S | 97.9 | Very high | 91.4 | Very high | 20 Ų | 20 | 74.8 Ų | 74.8 | 14% | 0.14 | 38% | 0.383 | C | S | . | . | trans | -61.4 | 147.6 | 170.5 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | F156 Q214 K215 | F156-S217 PolarHBondContact N-O 3.31Å; Q214-S217 PolarHBondContact N-OG 3.16Å; Q214-S217 WeakPolarHBondContact O-CB 3.49Å; Q214-S217 PolarHBondContact O-N 3.33Å; Q214-S217 PolarHBondContact O-OG 2.78Å; K215-S217 PolarHBondContact O-N 2.88Å | ||
| 218 | T | 98.1 | Very high | 88.4 | Confident | 44 Ų | 44 | 80.3 Ų | 80.3 | 27% | 0.27 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 118.9 | 177.7 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | F156 K158 F197 | F156-T218 HydrophobicContact CB-CG2 4.33Å; F156-T218 CarbonylContact O-C 3.52Å; F156-T218 VanDerWaalsContact O-CA 3.31Å; F156-T218 WeakPolarHBondContact O-CA 3.47Å; K158-T218 HydrophobicContact CB-CG2 4.21Å; K158-T218 HydrophobicContact CD-CG2 3.74Å; K158-T218 HydrophobicContact CG-CG2 3.68Å; F197-T218 WeakPolarHBondContact CD2-O 3.5Å |
| 219 | L | 98.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 154.7 | 171.2 | -72.4 | 62.1 | 0 | 0 | 0 | 109.4 | I155 F156 V157 K158 L195 F197 L202 I213 | I155-L219 HydrophobicContact CD1-CD1 4.05Å; I155-L219 HydrophobicContact CD1-CD2 4.17Å; F156-L219 PolarHBondContact O-N 3.31Å; V157-L219 CarbonylContact C-O 3.59Å; V157-L219 WeakPolarHBondContact CA-O 3.22Å; V157-L219 HydrophobicContact CG2-CB 4.39Å; K158-L219 PolarHBondContact N-O 2.87Å; L195-L219 HydrophobicContact CD1-CD2 4.4Å; F197-L219 HydrophobicContact CB-CG 4.37Å; F197-L219 HydrophobicContact CD2-CD1 4.18Å; F197-L219 HydrophobicContact CD2-CG 4.43Å; L202-L219 HydrophobicContact CD1-CD2 3.65Å; L202-L219 HydrophobicContact CD1-CG 4.18Å; I213-L219 HydrophobicContact CD1-CD1 4.19Å; I213-L219 HydrophobicContact CD1-CD2 4.31Å; I213-L219 HydrophobicContact CD1-CG 4.4Å; I213-L219 HydrophobicContact CG2-CD1 3.95Å |
| 220 | H | 98 | Very high | 87.5 | Confident | 96 Ų | 96 | 85.6 Ų | 85.6 | 44% | 0.444 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.1 | 174.1 | -64.2 | 76.1 | 0 | 0 | 0 | 109.7 | K158 L195 I196 | K158-H220 WeakPolarHBondContact O-CA 3.41Å; L195-H220 WeakPolarHBondContact CA-O 3.45Å; I196-H220 HydrophobicContact CB-CB 4.33Å; I196-H220 PolarHBondContact N-O 2.99Å; I196-H220 PolarHBondContact O-N 2.99Å |
| 221 | L | 97.1 | Very high | 86.9 | Confident | 4 Ų | 4 | 85.1 Ų | 85.1 | 2% | 0.021 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 118.5 | 175.8 | 175.7 | 64.4 | 0 | 0 | 0 | 110.1 | V157 K158 T159 I182 I188 Q193 L195 L223 | V157-L221 HydrophobicContact CG1-CB 3.61Å; V157-L221 HydrophobicContact CG1-CD2 4.48Å; K158-L221 PolarHBondContact O-N 3.21Å; T159-L221 HydrophobicContact CG2-CD2 4.49Å; I182-L221 HydrophobicContact CG2-CD2 3.97Å; I188-L221 HydrophobicContact CD1-CD2 3.92Å; Q193-L221 HydrophobicContact CB-CD1 3.77Å; Q193-L221 HydrophobicContact CG-CD1 3.96Å; L195-L221 HydrophobicContact CD2-CB 4.15Å; L195-L221 HydrophobicContact CD2-CD1 3.8Å; L221-L223 HydrophobicContact CD2-CD2 4.41Å; L221-L223 HydrophobicContact CG-CD2 4.35Å |
| 222 | V | 94.7 | Very high | 86.3 | Confident | 38 Ų | 38 | 88 Ų | 88 | 23% | 0.23 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 130.6 | 171.4 | 177.8 | 0 | 0 | 0 | 0 | 108.4 | L160 R194 I196 | L160-V222 HydrophobicContact CD1-CG1 4.37Å; L160-V222 HydrophobicContact CD2-CG2 4.1Å; R194-V222 WeakPolarHBondContact CA-O 3.2Å; R194-V222 HydrophobicContact CB-CB 4.24Å; R194-V222 VanDerWaalsContact CB-O 3.29Å; R194-V222 WeakPolarHBondContact CB-O 3.4Å; R194-V222 PolarHBondContact N-O 2.79Å; R194-V222 PolarHBondContact O-N 2.92Å; I196-V222 HydrophobicContact CD1-CB 4.48Å; I196-V222 HydrophobicContact CD1-CG2 3.72Å |
| 223 | L | 91.6 | Very high | 85.7 | Confident | 99 Ų | 99 | 86.1 Ų | 86.1 | 52% | 0.518 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 135.9 | 177.3 | -58.6 | -178.1 | 0 | 0 | 0 | 110.5 | I188 Q192 L221 | I188-L223 HydrophobicContact CD1-CD2 4.08Å; I188-L223 HydrophobicContact CG2-CD2 3.71Å; Q192-L223 WeakPolarHBondContact O-CA 3.46Å; L221-L223 HydrophobicContact CD2-CD2 4.41Å; L221-L223 HydrophobicContact CG-CD2 4.35Å |
| 224 | R | 86.2 | Confident | 84.9 | Confident | 109 Ų | 109 | 91.7 Ų | 91.7 | 41% | 0.411 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 138.9 | 166.3 | -65.1 | 179.6 | 173.5 | 162.3 | -1.4 | 108.9 | Q192 R194 Q201 | Q192-R224 PolarHBondContact O-N 2.67Å; R194-R224 HydrophobicContact CB-CG 4.44Å; Q201-R224 VanDerWaalsContact NE2-NH2 3.13Å |
| 225 | L | 74.1 | Confident | 84.1 | Confident | 170 Ų | 170 | 90 Ų | 90 | 89% | 0.89 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 140.5 | 165.7 | -64.5 | 172.2 | 0 | 0 | 0 | 107.9 | G227 | L225-G227 PolarHBondContact O-N 3.47Š|
| 226 | R | 63.7 | Low | 83.4 | Confident | 215 Ų | 215 | 87.5 Ų | 87.5 | 81% | 0.811 | 51% | 0.506 | S | S | * | . | trans | -50.1 | 114.7 | 174.3 | -70.7 | -176 | -174.4 | -178.9 | 1.2 | 108.1 | G228 | R226-G228 PolarHBondContact O-N 3.21Š| ||
| 227 | G | 55.6 | Low | 82.4 | Confident | 73 Ų | 73 | 84.7 Ų | 84.7 | 75% | 0.753 | 50% | 0.501 | S | S | * | . | trans | -65.8 | 115 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | L225 | L225-G227 PolarHBondContact O-N 3.47Š| ||
| 228 | G | 33.7 | Very low | 81 | Confident | 148 Ų | 148 | 90.5 Ų | 90.5 | 100% | 1.526 | 53% | 0.534 | S | S | * | . | trans | -70.4 | 0 | 144.7 | 0 | 0 | 0 | 0 | 0 | 110 | R226 | R226-G228 PolarHBondContact O-N 3.21Š|
Retrieved 228 of 228 residues in 243.2 ms
(Link to these results)