| 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 | 29.5 | Very low | 60 | Low | 236 Ų | 236 | 72 Ų | 72 | 100% | 1.163 | 36% | 0.357 | S | S | * | . | 0 | 124.4 | 0 | -79 | -173.6 | -94.7 | 0 | 0 | 107.8 | |||||
| 2 | A | 35.3 | Very low | 62.3 | Low | 20 Ų | 20 | 66.2 Ų | 66.2 | 17% | 0.165 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 124.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | P497 Y528 | A2-P497 WeakPolarHBondContact O-CD 3.23Å; A2-Y528 HydrophobicContact CB-CE1 3.94Å |
| 3 | S | 41.5 | Very low | 64.5 | Low | 30 Ų | 30 | 63.7 Ų | 63.7 | 21% | 0.21 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -95.4 | 135.3 | 175 | 47.5 | 0 | 0 | 0 | 0 | 110 | ||
| 4 | N | 55.1 | Low | 66.6 | Low | 71 Ų | 71 | 64.1 Ų | 64.1 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 130.3 | 166.7 | -84.1 | -10.6 | 0 | 0 | 0 | 108.5 | S495 | N4-S495 PolarHBondContact N-O 2.97Å; N4-S495 PolarHBondContact O-N 3.35Å; N4-S495 PolarHBondContact O-OG 2.69Å |
| 5 | I | 63.5 | Low | 68.4 | Low | 14 Ų | 14 | 59.9 Ų | 59.9 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 121 | 174.9 | -58.5 | 162.7 | 0 | 0 | 0 | 107.5 | Y355 L492 N493 T494 Y528 P530 | I5-Y355 HydrophobicContact CB-CD1 4.07Å; I5-Y355 HydrophobicContact CB-CE1 4.11Å; I5-Y355 HydrophobicContact CD1-CE1 3.72Å; I5-Y355 HydrophobicContact CG2-CD1 3.8Å; I5-Y355 HydrophobicContact CG2-CE1 3.9Å; I5-L492 HydrophobicContact CG2-CB 3.88Å; I5-L492 HydrophobicContact CG2-CD1 4.43Å; I5-L492 HydrophobicContact CG2-CD2 4.15Å; I5-L492 HydrophobicContact CG2-CG 4.37Å; I5-N493 WeakPolarHBondContact CA-O 3.17Å; I5-T494 HydrophobicContact CG1-CG2 4.06Å; I5-Y528 WeakPolarHBondContact CD1-O 3.45Å; I5-P530 HydrophobicContact CD1-CB 4.09Å; I5-P530 HydrophobicContact CG2-CB 4.24Å |
| 6 | I | 66.1 | Low | 70.2 | Confident | 66 Ų | 66 | 57.1 Ų | 57.1 | 34% | 0.338 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.5 | 178.3 | -58.3 | -176.7 | 0 | 0 | 0 | 108.4 | E8 N493 S495 | I6-E8 PolarHBondContact O-N 2.96Å; I6-N493 PolarHBondContact N-O 3.12Å; I6-N493 PolarHBondContact O-N 2.96Å; I6-S495 WeakPolarHBondContact CD1-OG 3.45Å; I6-S495 WeakPolarHBondContact CG1-OG 3.47Å |
| 7 | V | 72.4 | Confident | 71.7 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 11% | 0.109 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 122.2 | 169.4 | -172.6 | 0 | 0 | 0 | 0 | 109 | F141 T357 M487 L490 L492 | V7-F141 HydrophobicContact CB-CD1 3.87Å; V7-F141 HydrophobicContact CB-CE1 4.17Å; V7-F141 HydrophobicContact CG1-CD1 3.81Å; V7-F141 HydrophobicContact CG1-CE1 3.64Å; V7-F141 HydrophobicContact CG1-CZ 4.23Å; V7-F141 HydrophobicContact CG2-CD1 3.91Å; V7-F141 HydrophobicContact CG2-CE1 4.13Å; V7-T357 WeakPolarHBondContact CG2-OG1 3.48Å; V7-M487 HydrophobicContact CG2-CE 4.3Å; V7-L490 HydrophobicContact CG1-CB 4.35Å; V7-L490 HydrophobicContact CG1-CD1 4.13Å; V7-L490 HydrophobicContact CG1-CD2 4.06Å; V7-L490 HydrophobicContact CG1-CG 4.43Å; V7-L492 HydrophobicContact CB-CD2 4.44Å; V7-L492 HydrophobicContact CG2-CD2 3.75Å |
| 8 | E | 73.8 | Confident | 73.2 | Confident | 81 Ų | 81 | 51.8 Ų | 51.8 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | trans | -73.1 | 143.8 | 175.1 | -59.6 | -155.7 | 122.3 | 0 | 0 | 111.3 | I6 Q10 N491 N493 | I6-E8 PolarHBondContact O-N 2.96Å; E8-Q10 PolarHBondContact O-N 3.17Å; E8-N491 HydrophobicContact CB-CB 4Å; E8-N491 HydrophobicContact CG-CB 4.23Å; E8-N491 PolarHBondContact N-O 3.04Å; E8-N493 HydrophobicContact CG-CB 3.88Å; E8-N493 PolarHBondContact OE1-ND2 2.89Å | ||
| 9 | Y | 70.8 | Confident | 74.5 | Confident | 159 Ų | 159 | 49.1 Ų | 49.1 | 62% | 0.624 | 24% | 0.243 | S | C | * | . | trans | -70.4 | 115.4 | 171.5 | 179.5 | -101.8 | 0 | 0 | 0 | 109.4 | I11 | Y9-I11 HydrophobicContact CD1-CG1 4.41Å; Y9-I11 HydrophobicContact CE1-CD1 4.24Å; Y9-I11 HydrophobicContact CE1-CG1 3.59Å | ||
| 10 | Q | 72.1 | Confident | 75.6 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | trans | -112.2 | 139.3 | 174.2 | -63 | 164 | -70.5 | 0 | 0 | 110.1 | E8 Q137 M370 G489 L490 N491 | E8-Q10 PolarHBondContact O-N 3.17Å; Q10-Q137 PolarHBondContact O-NE2 2.95Å; Q10-M370 HydrophobicContact CB-CE 3.61Å; Q10-M370 HydrophobicContact CG-CE 4.23Å; Q10-G489 PolarHBondContact NE2-O 3.19Å; Q10-G489 VanDerWaalsContact NE2-O 3.15Å; Q10-G489 PolarHBondContact OE1-O 2.92Å; Q10-L490 VanDerWaalsContact OE1-CA 3.23Å; Q10-N491 HydrophobicContact CG-CB 4.21Å; Q10-N491 PolarHBondContact NE2-ND2 3.3Å; Q10-N491 VanDerWaalsContact NE2-ND2 3.17Å; Q10-N491 PolarHBondContact NE2-OD1 3.46Å; Q10-N491 VanDerWaalsContact NE2-OD1 3.13Å | ||
| 11 | I | 79.9 | Confident | 76.7 | Confident | 81 Ų | 81 | 49.8 Ų | 49.8 | 42% | 0.415 | 24% | 0.243 | S | C | . | . | trans | -93 | 121.6 | 171.7 | -62.3 | 169.7 | 0 | 0 | 0 | 106.8 | Y9 P76 I133 | Y9-I11 HydrophobicContact CD1-CG1 4.41Å; Y9-I11 HydrophobicContact CE1-CD1 4.24Å; Y9-I11 HydrophobicContact CE1-CG1 3.59Å; I11-P76 WeakPolarHBondContact O-CD 3.44Å; I11-P76 WeakPolarHBondContact O-CG 3.5Å; I11-I133 HydrophobicContact CG2-CG2 3.72Å | ||
| 12 | S | 88.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | trans | -100.6 | 155.5 | 169.8 | 60.2 | 0 | 0 | 0 | 0 | 110.5 | C134 | S12-C134 WeakPolarHBondContact O-CB 3.25Å; S12-C134 PolarHBondContact O-N 3.2Å; S12-C134 WeakPolarHBondContact OG-CB 3.27Å; S12-C134 PolarHBondContact OG-SG 3.23Å | ||
| 13 | H | 91 | Very high | 82.7 | Confident | 34 Ų | 34 | 40 Ų | 40 | 16% | 0.157 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 139.3 | 172 | -69.5 | 160 | 0 | 0 | 0 | 110.8 | I73 L74 L131 E132 | H13-I73 CarbonylContact O-C 3.53Å; H13-I73 WeakPolarHBondContact O-CA 3.49Å; H13-L74 HydrophobicContact CB-CB 4.47Å; H13-L74 PolarHBondContact N-O 3.47Å; H13-L74 PolarHBondContact O-N 2.85Å; H13-L131 HydrophobicContact CB-CD1 3.73Å; H13-L131 HydrophobicContact CB-CG 4.22Å; H13-E132 CarbonylContact C-O 3.48Å; H13-E132 VanDerWaalsContact CA-O 3.25Å; H13-E132 WeakPolarHBondContact CA-O 3.39Å |
| 14 | K | 92.8 | Very high | 85.2 | Confident | 70 Ų | 70 | 41.3 Ų | 41.3 | 30% | 0.304 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 109.5 | 166.5 | -174.9 | 179 | -179.1 | -176.5 | 0 | 108.6 | H71 F72 I73 E132 C134 | K14-H71 WeakPolarHBondContact CE-ND1 3.26Å; K14-F72 WeakPolarHBondContact CA-O 3.47Å; K14-I73 HydrophobicContact CB-CD1 4.23Å; K14-I73 HydrophobicContact CG-CD1 4.21Å; K14-E132 HydrophobicContact CB-CB 4.4Å; K14-E132 PolarHBondContact N-O 3.35Å; K14-E132 PolarHBondContact O-N 3.2Å; K14-C134 PolarHBondContact N-SG 3.3Å; K14-C134 VanDerWaalsContact N-SG 3.45Å |
| 15 | F | 94.8 | Very high | 87 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.2 | 172.3 | 176.4 | -118.4 | 0 | 0 | 0 | 109.6 | V17 I45 H71 F72 L74 L82 I104 L107 M129 L131 | F15-V17 HydrophobicContact CE1-CB 3.97Å; F15-V17 HydrophobicContact CE1-CG1 4.01Å; F15-V17 HydrophobicContact CZ-CB 4.03Å; F15-I45 HydrophobicContact CD1-CD1 3.77Å; F15-I45 HydrophobicContact CE1-CD1 4.04Å; F15-H71 CarbonylContact O-C 3.55Å; F15-H71 WeakPolarHBondContact O-CA 3.47Å; F15-F72 HydrophobicContact CB-CB 4.36Å; F15-F72 HydrophobicContact CD1-CB 4.37Å; F15-F72 AromaticContact CD1-CD2 3.85Å; F15-F72 HydrophobicContact CD1-CD2 3.85Å; F15-F72 HydrophobicContact CD1-CG 4.45Å; F15-F72 HydrophobicContact CE1-CD2 4.41Å; F15-F72 PolarHBondContact N-O 3.02Å; F15-F72 PolarHBondContact O-N 3.07Å; F15-L74 HydrophobicContact CB-CD1 3.5Å; F15-L74 VanDerWaalsContact CB-CD1 3.5Å; F15-L74 HydrophobicContact CB-CG 4.1Å; F15-L74 HydrophobicContact CD1-CD1 4.46Å; F15-L74 HydrophobicContact CG-CD1 4.11Å; F15-L82 HydrophobicContact CE1-CD2 4.1Å; F15-L82 HydrophobicContact CZ-CD2 4.06Å; F15-I104 HydrophobicContact CD1-CD1 3.9Å; F15-I104 HydrophobicContact CD2-CG2 4.1Å; F15-I104 HydrophobicContact CE1-CD1 3.9Å; F15-I104 HydrophobicContact CE2-CG2 4.35Å; F15-I104 HydrophobicContact CG-CD1 4.22Å; F15-I104 HydrophobicContact CZ-CD1 4.22Å; F15-I104 HydrophobicContact CZ-CG1 4.37Å; F15-L107 HydrophobicContact CD2-CD1 4.23Å; F15-L107 HydrophobicContact CE2-CD1 3.62Å; F15-M129 HydrophobicContact CE2-CB 3.91Å; F15-M129 HydrophobicContact CE2-CG 4.07Å; F15-M129 HydrophobicContact CE2-SD 4.18Å; F15-M129 HydrophobicContact CZ-CB 4.26Å; F15-M129 HydrophobicContact CZ-CG 3.89Å; F15-M129 HydrophobicContact CZ-SD 3.77Å; F15-L131 HydrophobicContact CB-CD1 3.89Å; F15-L131 HydrophobicContact CD2-CD1 4.2Å |
| 16 | T | 95.8 | Very high | 88.2 | Confident | 15 Ų | 15 | 39.8 Ų | 39.8 | 9% | 0.092 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.9 | 176.9 | -62.4 | 0 | 0 | 0 | 0 | 108.9 | T69 F70 H71 M129 M130 | T16-T69 HydrophobicContact CG2-CG2 3.56Å; T16-F70 WeakPolarHBondContact CA-O 3.5Å; T16-H71 PolarHBondContact OG1-ND1 3.26Å; T16-M129 CarbonylContact O-C 3.53Å; T16-M129 WeakPolarHBondContact O-CA 3.43Å; T16-M130 PolarHBondContact N-O 3.39Å; T16-M130 PolarHBondContact O-N 2.88Å |
| 17 | V | 96.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 124.1 | 177.8 | 55.3 | 0 | 0 | 0 | 0 | 110 | F15 L43 T69 F70 F72 L82 L127 E128 M129 | F15-V17 HydrophobicContact CE1-CB 3.97Å; F15-V17 HydrophobicContact CE1-CG1 4.01Å; F15-V17 HydrophobicContact CZ-CB 4.03Å; V17-L43 HydrophobicContact CG1-CD1 3.62Å; V17-L43 HydrophobicContact CG2-CD1 4.36Å; V17-T69 WeakPolarHBondContact O-CA 3.4Å; V17-F70 HydrophobicContact CG1-CB 4.04Å; V17-F70 PolarHBondContact N-O 3.13Å; V17-F70 PolarHBondContact O-N 2.9Å; V17-F72 HydrophobicContact CG1-CD2 4.14Å; V17-F72 HydrophobicContact CG1-CE2 3.67Å; V17-L82 HydrophobicContact CG2-CD2 4.44Å; V17-L127 HydrophobicContact CG2-CB 4.39Å; V17-L127 HydrophobicContact CG2-CD2 3.71Å; V17-L127 HydrophobicContact CG2-CG 4Å; V17-E128 CarbonylContact C-O 3.58Å; V17-E128 WeakPolarHBondContact CA-O 3.35Å; V17-M129 HydrophobicContact CB-CG 4.31Å; V17-M129 HydrophobicContact CG2-CG 3.96Å |
| 18 | T | 97.9 | Very high | 89.7 | Confident | 19 Ų | 19 | 39.3 Ų | 39.3 | 12% | 0.117 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.2 | 174.6 | -56.2 | 0 | 0 | 0 | 0 | 108.7 | V20 E68 T69 L127 E128 | T18-V20 HydrophobicContact CG2-CG2 4.26Å; T18-V20 PolarHBondContact O-N 2.86Å; T18-E68 CarbonylContact C-O 3.52Å; T18-E68 VanDerWaalsContact CA-O 3.3Å; T18-E68 WeakPolarHBondContact CA-O 3.41Å; T18-T69 WeakPolarHBondContact CG2-OG1 3.21Å; T18-T69 WeakPolarHBondContact OG1-CG2 3.18Å; T18-T69 PolarHBondContact OG1-OG1 2.73Å; T18-L127 WeakPolarHBondContact O-CA 3.46Å; T18-E128 PolarHBondContact N-O 2.93Å; T18-E128 PolarHBondContact O-N 3.27Å |
| 19 | V | 97.7 | Very high | 90 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 103.5 | 171.3 | -174.5 | 0 | 0 | 0 | 0 | 107.2 | V41 L43 T55 W66 N67 E68 F70 L127 | V19-V41 HydrophobicContact CG1-CB 3.88Å; V19-V41 HydrophobicContact CG1-CG1 4.04Å; V19-V41 HydrophobicContact CG1-CG2 3.82Å; V19-V41 HydrophobicContact CG2-CG1 4.06Å; V19-L43 HydrophobicContact CG2-CD1 3.98Å; V19-L43 HydrophobicContact CG2-CD2 4.2Å; V19-L43 HydrophobicContact CG2-CG 4.35Å; V19-T55 HydrophobicContact CB-CG2 3.79Å; V19-T55 HydrophobicContact CG1-CG2 3.92Å; V19-T55 HydrophobicContact CG2-CG2 3.97Å; V19-W66 HydrophobicContact CG1-CD2 4.32Å; V19-W66 HydrophobicContact CG1-CE3 3.7Å; V19-W66 HydrophobicContact CG1-CZ3 4.16Å; V19-N67 WeakPolarHBondContact O-CA 3.25Å; V19-N67 PolarHBondContact O-N 3.19Å; V19-E68 PolarHBondContact N-O 3.48Å; V19-E68 PolarHBondContact O-N 3.45Å; V19-F70 HydrophobicContact CG2-CD2 4.23Å; V19-F70 HydrophobicContact CG2-CE2 3.91Å; V19-L127 HydrophobicContact CG1-CD1 4.39Å; V19-L127 HydrophobicContact CG2-CG 4.48Å |
| 20 | V | 97.5 | Very high | 90.3 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -62.9 | -170.2 | -176.2 | 0 | 0 | 0 | 0 | 110.1 | T18 W66 N67 H126 E128 | T18-V20 HydrophobicContact CG2-CG2 4.26Å; T18-V20 PolarHBondContact O-N 2.86Å; V20-W66 PolarHBondContact O-N 3.13Å; V20-N67 PolarHBondContact O-N 3.18Å; V20-N67 VanDerWaalsContact O-N 3.14Å; V20-H126 HydrophobicContact CB-CB 4.26Å; V20-H126 WeakPolarHBondContact CB-O 3.44Å; V20-H126 PolarHBondContact N-O 2.92Å; V20-E128 HydrophobicContact CG2-CB 4.12Å |
| 21 | R | 97.4 | Very high | 90.6 | Very high | 84 Ų | 84 | 39.1 Ų | 39.1 | 32% | 0.317 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 163 | -172.8 | 64.7 | -168.6 | -175.1 | 104.8 | 9.8 | 112.3 | E23 P64 K65 H126 | R21-E23 IonicContact CZ-OE1 2.66Å; R21-E23 IonicContact NH1-OE1 3.12Å; R21-E23 PolarHBondContact NH1-OE1 3.05Å; R21-E23 IonicContact NH2-OE1 3.82Å; R21-E23 PolarHBondContact NH2-OE1 3.32Å; R21-P64 CarbonylContact C-O 3.57Å; R21-P64 WeakPolarHBondContact CA-O 3.43Å; R21-P64 WeakPolarHBondContact CB-O 3.05Å; R21-K65 HydrophobicContact CB-CB 4.42Å; R21-K65 HydrophobicContact CB-CG 3.94Å; R21-H126 HydrophobicContact CG-CB 4.2Å; R21-H126 PolarHBondContact O-N 3.38Å |
| 22 | A | 96.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 158.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V25 N63 P64 W66 K124 V125 | A22-V25 HydrophobicContact CB-CG2 3.76Å; A22-N63 CarbonylContact O-C 3.53Å; A22-N63 WeakPolarHBondContact O-CA 3.17Å; A22-P64 HydrophobicContact CB-CG 3.73Å; A22-P64 PolarHBondContact N-O 2.7Å; A22-W66 HydrophobicContact CB-CH2 3.75Å; A22-W66 HydrophobicContact CB-CZ3 3.72Å; A22-K124 CarbonylContact C-O 3.59Å; A22-K124 WeakPolarHBondContact CA-O 3.44Å; A22-K124 WeakPolarHBondContact CB-O 3.24Å; A22-V125 HydrophobicContact CB-CG2 3.94Å |
| 23 | E | 95.8 | Very high | 90.3 | Very high | 48 Ų | 48 | 44 Ų | 44 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 136.9 | 176.3 | -60.1 | -178.2 | 163 | 0 | 0 | 109.3 | R21 V25 N63 T123 K124 H126 | R21-E23 IonicContact CZ-OE1 2.66Å; R21-E23 IonicContact NH1-OE1 3.12Å; R21-E23 PolarHBondContact NH1-OE1 3.05Å; R21-E23 IonicContact NH2-OE1 3.82Å; R21-E23 PolarHBondContact NH2-OE1 3.32Å; E23-V25 PolarHBondContact O-N 3.27Å; E23-N63 WeakPolarHBondContact CA-OD1 3.37Å; E23-T123 VanDerWaalsContact O-CA 3.32Å; E23-T123 WeakPolarHBondContact O-CA 3.45Å; E23-K124 HydrophobicContact CB-CB 4.5Å; E23-K124 PolarHBondContact N-O 2.88Å; E23-K124 PolarHBondContact O-N 3.36Å; E23-H126 IonicContact OE1-NE2 2.7Å; E23-H126 IonicContact OE2-NE2 3.28Å |
| 24 | S | 93.5 | Very high | 89.8 | Confident | 59 Ų | 59 | 49.3 Ų | 49.3 | 41% | 0.413 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 55.7 | 44.8 | 172.9 | -52.7 | 0 | 0 | 0 | 0 | 114.4 | I62 N63 T123 | S24-I62 PolarHBondContact N-O 2.98Å; S24-I62 VanDerWaalsContact N-O 3.09Å; S24-N63 PolarHBondContact N-OD1 2.89Å; S24-T123 PolarHBondContact O-OG1 2.89Å |
| 25 | V | 92.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | trans | -62.3 | 133.8 | 172.5 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | A22 E23 P37 P39 I62 P64 L86 L97 T123 | A22-V25 HydrophobicContact CB-CG2 3.76Å; E23-V25 PolarHBondContact O-N 3.27Å; V25-P37 HydrophobicContact CG1-CB 3.85Å; V25-P37 HydrophobicContact CG1-CG 4.23Å; V25-P39 HydrophobicContact CG1-CB 4.23Å; V25-P39 HydrophobicContact CG2-CB 4.4Å; V25-P39 HydrophobicContact CG2-CG 4.44Å; V25-I62 PolarHBondContact N-O 3.08Å; V25-I62 WeakPolarHBondContact O-CB 3.46Å; V25-I62 VanDerWaalsContact O-CG2 3.28Å; V25-I62 WeakPolarHBondContact O-CG2 3.31Å; V25-P64 HydrophobicContact CG2-CG 4.32Å; V25-L86 HydrophobicContact CG1-CD2 4.26Å; V25-L86 HydrophobicContact CG2-CD2 4.41Å; V25-L97 HydrophobicContact CG1-CD1 3.45Å; V25-L97 VanDerWaalsContact CG1-CD1 3.45Å; V25-T123 HydrophobicContact CB-CG2 4.36Å; V25-T123 HydrophobicContact CG2-CG2 3.96Å | ||
| 26 | T | 89.8 | Confident | 89 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | trans | -154.3 | 140.5 | -175.9 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | G28 D32 | T26-G28 VanDerWaalsContact C-N 3.29Å; T26-G28 WeakPolarHBondContact OG1-CA 3.19Å; T26-G28 PolarHBondContact OG1-N 3.32Å; T26-D32 WeakPolarHBondContact CA-OD1 3.41Å; T26-D32 VanDerWaalsContact CB-OD2 3.27Å; T26-D32 WeakPolarHBondContact CB-OD2 3.37Å; T26-D32 PolarHBondContact OG1-OD2 3.09Å | ||
| 27 | K | 85.1 | Confident | 88.7 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 19% | 0.187 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -89.1 | 3.9 | 165.3 | -71.3 | 178.8 | -82.2 | -155 | 0 | 112 | D32 D35 P37 D88 L97 | K27-D32 PolarHBondContact N-OD1 3.3Å; K27-D35 WeakPolarHBondContact CE-O 3.42Å; K27-D35 PolarHBondContact NZ-O 2.82Å; K27-D35 IonicContact NZ-OD2 3.37Å; K27-D35 PolarHBondContact NZ-OD2 3.45Å; K27-P37 HydrophobicContact CG-CG 4.46Å; K27-D88 VanDerWaalsContact CD-OD2 3.31Å; K27-D88 WeakPolarHBondContact CD-OD2 3.49Å; K27-D88 WeakPolarHBondContact CE-OD2 3.29Å; K27-D88 IonicContact NZ-OD1 2.65Å; K27-D88 IonicContact NZ-OD2 3.8Å; K27-D88 PolarHBondContact NZ-OD2 3.42Å; K27-L97 HydrophobicContact CD-CD2 4.39Å; K27-L97 HydrophobicContact CG-CD2 3.58Å |
| 28 | G | 83.5 | Confident | 88.4 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 32% | 0.32 | 30% | 0.3 | S | S | . | . | trans | 91.9 | 158.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T26 L30 G31 D32 | T26-G28 VanDerWaalsContact C-N 3.29Å; T26-G28 WeakPolarHBondContact OG1-CA 3.19Å; T26-G28 PolarHBondContact OG1-N 3.32Å; G28-L30 PolarHBondContact O-N 3.38Å; G28-L30 VanDerWaalsContact O-N 3.08Å; G28-G31 PolarHBondContact O-N 3.37Å; G28-D32 PolarHBondContact O-N 2.98Å | ||
| 29 | A | 79.9 | Confident | 88.3 | Confident | 95 Ų | 95 | 50.8 Ų | 50.8 | 79% | 0.785 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -57.5 | -31.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 30 | L | 77.4 | Confident | 88.2 | Confident | 134 Ų | 134 | 51.3 Ų | 51.3 | 70% | 0.702 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -80.1 | -36.5 | 176.4 | -168 | 73.7 | 0 | 0 | 0 | 111.9 | G28 L34 | G28-L30 PolarHBondContact O-N 3.38Å; G28-L30 VanDerWaalsContact O-N 3.08Å; L30-L34 WeakPolarHBondContact O-CG 3.31Å; L30-L34 PolarHBondContact O-N 3.09Å |
| 31 | G | 78.3 | Confident | 88.2 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68 | -46.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G28 L33 L34 D35 | G28-G31 PolarHBondContact O-N 3.37Å; G31-L33 PolarHBondContact O-N 3.1Å; G31-L34 PolarHBondContact O-N 2.99Å; G31-L34 VanDerWaalsContact O-N 3.11Å; G31-D35 PolarHBondContact O-N 3.26Å; G31-D35 VanDerWaalsContact O-O 3.11Å |
| 32 | D | 83.1 | Confident | 88.2 | Confident | 43 Ų | 43 | 47.3 Ų | 47.3 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.9 | -25 | 179.7 | -63.1 | -19.5 | 0 | 0 | 0 | 113.2 | T26 K27 G28 D35 | T26-D32 WeakPolarHBondContact CA-OD1 3.41Å; T26-D32 VanDerWaalsContact CB-OD2 3.27Å; T26-D32 WeakPolarHBondContact CB-OD2 3.37Å; T26-D32 PolarHBondContact OG1-OD2 3.09Å; K27-D32 PolarHBondContact N-OD1 3.3Å; G28-D32 PolarHBondContact O-N 2.98Å; D32-D35 WeakPolarHBondContact CA-O 3.28Å |
| 33 | L | 78.8 | Confident | 88.2 | Confident | 144 Ų | 144 | 47.2 Ų | 47.2 | 75% | 0.754 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -76 | -34.3 | 175.8 | -179.1 | 66.2 | 0 | 0 | 0 | 112.2 | G31 | G31-L33 PolarHBondContact O-N 3.1Å |
| 34 | L | 81.8 | Confident | 88.2 | Confident | 145 Ų | 145 | 46.9 Ų | 46.9 | 76% | 0.759 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -79.1 | -38.1 | 178.6 | -70.4 | 170.8 | 0 | 0 | 0 | 111.1 | L30 G31 | L30-L34 WeakPolarHBondContact O-CG 3.31Å; L30-L34 PolarHBondContact O-N 3.09Å; G31-L34 PolarHBondContact O-N 2.99Å; G31-L34 VanDerWaalsContact O-N 3.11Å |
| 35 | D | 82.9 | Confident | 88.2 | Confident | 56 Ų | 56 | 44.1 Ų | 44.1 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -154.7 | 118.1 | -175 | -175.7 | 33.7 | 0 | 0 | 0 | 110.1 | K27 G31 D32 N90 | K27-D35 WeakPolarHBondContact CE-O 3.42Å; K27-D35 PolarHBondContact NZ-O 2.82Å; K27-D35 IonicContact NZ-OD2 3.37Å; K27-D35 PolarHBondContact NZ-OD2 3.45Å; G31-D35 PolarHBondContact O-N 3.26Å; G31-D35 VanDerWaalsContact O-O 3.11Å; D32-D35 WeakPolarHBondContact CA-O 3.28Å; D35-N90 PolarHBondContact OD2-OD1 2.83Å |
| 36 | T | 87.1 | Confident | 88.1 | Confident | 54 Ų | 54 | 47.3 Ų | 47.3 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | trans | -74 | 132.8 | 179.4 | -60.4 | 0 | 0 | 0 | 0 | 108.2 | D38 N60 I62 | T36-D38 PolarHBondContact O-N 3.03Å; T36-N60 WeakPolarHBondContact CB-OD1 3.33Å; T36-N60 HydrophobicContact CG2-CB 3.99Å; T36-I62 HydrophobicContact CG2-CG2 4.36Å | ||
| 37 | P | 88.8 | Confident | 88 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -54.4 | 136.1 | -176.5 | -26.2 | 31.4 | 0 | 0 | 0 | 114.3 | V25 K27 P39 N60 N61 I62 D88 | V25-P37 HydrophobicContact CG1-CB 3.85Å; V25-P37 HydrophobicContact CG1-CG 4.23Å; K27-P37 HydrophobicContact CG-CG 4.46Å; P37-P39 WeakPolarHBondContact O-CD 3.24Å; P37-N60 CarbonylContact O-C 3.32Å; P37-N60 WeakPolarHBondContact O-CA 3.45Å; P37-N60 PolarHBondContact O-N 2.88Å; P37-N61 PolarHBondContact O-N 2.99Å; P37-I62 HydrophobicContact CG-CG2 4.23Å; P37-D88 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 38 | D | 92.1 | Very high | 88 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | trans | -107 | 66.5 | 171.6 | -65.1 | -28.8 | 0 | 0 | 0 | 109.8 | T36 I58 D59 N60 D88 A89 | T36-D38 PolarHBondContact O-N 3.03Å; D38-I58 WeakPolarHBondContact CA-O 3.49Å; D38-D59 WeakPolarHBondContact OD1-CA 3.24Å; D38-N60 PolarHBondContact OD1-N 2.91Å; D38-D88 PolarHBondContact N-OD1 3.2Å; D38-A89 HydrophobicContact CB-CB 4.05Å; D38-A89 PolarHBondContact O-N 2.73Å | ||
| 39 | P | 94.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 144.5 | -162.6 | 28.8 | -38.5 | 0 | 0 | 0 | 114 | V25 P37 H57 I58 N61 P64 W66 L86 M87 | V25-P39 HydrophobicContact CG1-CB 4.23Å; V25-P39 HydrophobicContact CG2-CB 4.4Å; V25-P39 HydrophobicContact CG2-CG 4.44Å; P37-P39 WeakPolarHBondContact O-CD 3.24Å; P39-H57 WeakPolarHBondContact O-CA 3.04Å; P39-I58 WeakPolarHBondContact CD-O 3.18Å; P39-I58 PolarHBondContact O-N 2.91Å; P39-N61 WeakPolarHBondContact CD-O 3.45Å; P39-N61 WeakPolarHBondContact CG-O 3.37Å; P39-P64 HydrophobicContact CB-CG 4.18Å; P39-P64 HydrophobicContact CG-CB 3.8Å; P39-P64 HydrophobicContact CG-CG 3.51Å; P39-W66 HydrophobicContact CB-CH2 4.4Å; P39-W66 HydrophobicContact CB-CZ2 3.97Å; P39-W66 HydrophobicContact CG-CZ2 4.22Å; P39-W66 WeakPolarHBondContact O-CZ2 3.41Å; P39-W66 PolarHBondContact O-NE1 3.41Å; P39-L86 HydrophobicContact CB-CD1 4.33Å; P39-M87 VanDerWaalsContact CA-O 3.26Å; P39-M87 WeakPolarHBondContact CA-O 3.12Å |
| 40 | Y | 96.5 | Very high | 87.8 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 164.3 | 161.3 | 69.8 | -87.2 | 0 | 0 | 0 | 110.9 | R54 H57 M87 A89 D94 | Y40-R54 HydrophobicContact CD2-CB 4.26Å; Y40-R54 HydrophobicContact CE2-CB 4.49Å; Y40-H57 HydrophobicContact CD1-CB 4.1Å; Y40-H57 HydrophobicContact CG-CB 4.47Å; Y40-M87 HydrophobicContact CD1-CB 3.72Å; Y40-M87 HydrophobicContact CD2-CB 3.86Å; Y40-M87 HydrophobicContact CD2-CG 4.23Å; Y40-M87 HydrophobicContact CE1-CB 3.34Å; Y40-M87 HydrophobicContact CE1-CG 4.27Å; Y40-M87 HydrophobicContact CE2-CB 3.47Å; Y40-M87 VanDerWaalsContact CE2-CB 3.47Å; Y40-M87 HydrophobicContact CE2-CG 3.57Å; Y40-M87 HydrophobicContact CG-CB 3.99Å; Y40-M87 PolarHBondContact N-O 3.47Å; Y40-M87 PolarHBondContact O-N 3.37Å; Y40-A89 HydrophobicContact CD1-CB 4.16Å; Y40-A89 HydrophobicContact CE1-CB 4.15Å; Y40-D94 HydrophobicContact CE1-CB 4.4Å; Y40-D94 VanDerWaalsContact CE1-OD2 3.32Å; Y40-D94 WeakPolarHBondContact CE1-OD2 3.4Å; Y40-D94 PolarHBondContact OH-OD2 3Å |
| 41 | V | 97.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.6 | 180 | 172.2 | 0 | 0 | 0 | 0 | 109.5 | V19 L43 R54 T55 W66 L84 L86 V125 | V19-V41 HydrophobicContact CG1-CB 3.88Å; V19-V41 HydrophobicContact CG1-CG1 4.04Å; V19-V41 HydrophobicContact CG1-CG2 3.82Å; V19-V41 HydrophobicContact CG2-CG1 4.06Å; V41-L43 HydrophobicContact CG1-CD2 4.06Å; V41-R54 CarbonylContact O-C 3.48Å; V41-R54 VanDerWaalsContact O-CA 3.23Å; V41-R54 WeakPolarHBondContact O-CA 3.45Å; V41-T55 HydrophobicContact CB-CG2 4.1Å; V41-T55 PolarHBondContact N-OG1 3.02Å; V41-T55 PolarHBondContact O-N 3.46Å; V41-W66 HydrophobicContact CG2-CE3 4.38Å; V41-W66 HydrophobicContact CG2-CH2 3.65Å; V41-W66 HydrophobicContact CG2-CZ2 4.14Å; V41-W66 HydrophobicContact CG2-CZ3 3.8Å; V41-L84 HydrophobicContact CG1-CD1 3.18Å; V41-L84 HydrophobicContact CG1-CG 4.38Å; V41-L86 HydrophobicContact CG2-CD1 3.98Å; V41-V125 HydrophobicContact CG2-CG1 4.18Å |
| 42 | E | 97 | Very high | 88.8 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.7 | 170.7 | -170.4 | -177 | 72.5 | 0 | 0 | 110.3 | R52 L84 T85 | E42-R52 HydrophobicContact CG-CG 4Å; E42-R52 IonicContact OE1-CZ 2.71Å; E42-R52 IonicContact OE1-NH1 2.82Å; E42-R52 PolarHBondContact OE1-NH1 2.65Å; E42-R52 WeakPolarHBondContact OE2-CD 3.35Å; E42-R52 IonicContact OE2-CZ 3.32Å; E42-R52 IonicContact OE2-NE 3.78Å; E42-R52 IonicContact OE2-NH1 3.82Å; E42-R52 PolarHBondContact OE2-NH1 3.3Å; E42-L84 WeakPolarHBondContact O-CA 3.4Å; E42-T85 PolarHBondContact N-O 3.46Å; E42-T85 PolarHBondContact O-N 3.02Å |
| 43 | L | 96.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.2 | 177.7 | -56.8 | 175.4 | 0 | 0 | 0 | 108.1 | V17 V19 V41 R52 K53 F70 F72 L82 E83 L84 L127 | V17-L43 HydrophobicContact CG1-CD1 3.62Å; V17-L43 HydrophobicContact CG2-CD1 4.36Å; V19-L43 HydrophobicContact CG2-CD1 3.98Å; V19-L43 HydrophobicContact CG2-CD2 4.2Å; V19-L43 HydrophobicContact CG2-CG 4.35Å; V41-L43 HydrophobicContact CG1-CD2 4.06Å; L43-R52 CarbonylContact O-C 3.57Å; L43-R52 WeakPolarHBondContact O-CA 3.2Å; L43-K53 PolarHBondContact N-O 2.99Å; L43-K53 PolarHBondContact O-N 3.29Å; L43-F70 HydrophobicContact CD1-CB 4.18Å; L43-F70 HydrophobicContact CD1-CD2 3.43Å; L43-F70 VanDerWaalsContact CD1-CD2 3.43Å; L43-F70 HydrophobicContact CD1-CE2 4.02Å; L43-F70 HydrophobicContact CD1-CG 3.93Å; L43-F72 HydrophobicContact CB-CZ 4.08Å; L43-F72 HydrophobicContact CD1-CE2 4.38Å; L43-L82 HydrophobicContact CB-CD1 4.06Å; L43-L82 HydrophobicContact CD2-CD1 4.1Å; L43-E83 CarbonylContact C-O 3.55Å; L43-E83 WeakPolarHBondContact CA-O 3.39Å; L43-L84 HydrophobicContact CD2-CD1 3.45Å; L43-L84 VanDerWaalsContact CD2-CD1 3.45Å; L43-L127 HydrophobicContact CD2-CD2 4.11Å |
| 44 | F | 95.7 | Very high | 90.1 | Very high | 41 Ų | 41 | 41.2 Ų | 41.2 | 18% | 0.18 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 127.2 | 178.8 | -177.3 | -115.4 | 0 | 0 | 0 | 111.4 | P46 S51 R52 E83 | F44-P46 HydrophobicContact CD1-CG 4.04Å; F44-P46 HydrophobicContact CE1-CB 4.17Å; F44-P46 HydrophobicContact CE1-CG 3.64Å; F44-P46 HydrophobicContact CZ-CB 4.4Å; F44-P46 HydrophobicContact CZ-CG 4.34Å; F44-S51 CarbonylContact C-O 3.55Å; F44-S51 WeakPolarHBondContact CA-O 3.33Å; F44-S51 VanDerWaalsContact CE2-OG 3.28Å; F44-S51 WeakPolarHBondContact CE2-OG 3.45Å; F44-R52 HydrophobicContact CD2-CB 4.03Å; F44-E83 HydrophobicContact CB-CB 4.15Å; F44-E83 HydrophobicContact CD1-CB 4.41Å; F44-E83 WeakPolarHBondContact CD1-OE2 2.92Å; F44-E83 PolarHBondContact N-O 3.25Å; F44-E83 PolarHBondContact O-N 2.8Å |
| 45 | I | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -124.2 | 104.2 | 172 | -58.7 | -179.8 | 0 | 0 | 0 | 107.8 | F15 T47 A48 S51 F72 L74 L82 I104 | F15-I45 HydrophobicContact CD1-CD1 3.77Å; F15-I45 HydrophobicContact CE1-CD1 4.04Å; I45-T47 PolarHBondContact O-N 2.74Å; I45-T47 VanDerWaalsContact O-N 3.15Å; I45-A48 HydrophobicContact CB-CB 3.96Å; I45-A48 HydrophobicContact CG2-CB 3.91Å; I45-A48 PolarHBondContact O-N 2.64Å; I45-S51 PolarHBondContact N-O 3.06Å; I45-S51 VanDerWaalsContact O-CA 3.28Å; I45-S51 WeakPolarHBondContact O-CA 3.48Å; I45-S51 WeakPolarHBondContact O-CB 3.42Å; I45-F72 HydrophobicContact CB-CD1 4.45Å; I45-F72 HydrophobicContact CD1-CB 3.97Å; I45-F72 HydrophobicContact CD1-CD1 3.78Å; I45-F72 HydrophobicContact CD1-CD2 3.84Å; I45-F72 HydrophobicContact CD1-CE1 4.16Å; I45-F72 HydrophobicContact CD1-CE2 4.22Å; I45-F72 HydrophobicContact CD1-CG 3.59Å; I45-F72 HydrophobicContact CD1-CZ 4.35Å; I45-F72 HydrophobicContact CG1-CD1 4.27Å; I45-F72 HydrophobicContact CG1-CE1 4.27Å; I45-L74 HydrophobicContact CD1-CD2 4.09Å; I45-L74 HydrophobicContact CG2-CD2 3.9Å; I45-L82 HydrophobicContact CD1-CD1 4.3Å; I45-L82 HydrophobicContact CG1-CB 4.45Å; I45-L82 HydrophobicContact CG1-CD1 3.93Å; I45-I104 HydrophobicContact CD1-CD1 3.78Å | ||
| 46 | P | 88.6 | Confident | 91.4 | Very high | 70 Ų | 70 | 39.2 Ų | 39.2 | 46% | 0.455 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -32.9 | -173.4 | -23.8 | 29.6 | 0 | 0 | 0 | 114.2 | F44 A48 | F44-P46 HydrophobicContact CD1-CG 4.04Å; F44-P46 HydrophobicContact CE1-CB 4.17Å; F44-P46 HydrophobicContact CE1-CG 3.64Å; F44-P46 HydrophobicContact CZ-CB 4.4Å; F44-P46 HydrophobicContact CZ-CG 4.34Å; P46-A48 VanDerWaalsContact C-N 3.34Å |
| 47 | T | 88.7 | Confident | 91.7 | Very high | 39 Ų | 39 | 41.5 Ų | 41.5 | 24% | 0.239 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -6.9 | -177.3 | 52 | 0 | 0 | 0 | 0 | 113.6 | I45 Q78 N80 | I45-T47 PolarHBondContact O-N 2.74Å; I45-T47 VanDerWaalsContact O-N 3.15Å; T47-Q78 HydrophobicContact CG2-CB 4.07Å; T47-N80 PolarHBondContact OG1-OD1 3.21Å |
| 48 | A | 85.9 | Confident | 91.9 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 7% | 0.066 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -94.4 | 145.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | I45 P46 E50 S51 F72 L74 | I45-A48 HydrophobicContact CB-CB 3.96Å; I45-A48 HydrophobicContact CG2-CB 3.91Å; I45-A48 PolarHBondContact O-N 2.64Å; P46-A48 VanDerWaalsContact C-N 3.34Å; A48-E50 PolarHBondContact O-N 3.49Å; A48-S51 WeakPolarHBondContact O-CB 3.44Å; A48-S51 PolarHBondContact O-N 3.3Å; A48-F72 HydrophobicContact CB-CD1 4.21Å; A48-L74 HydrophobicContact CB-CD2 4.01Å |
| 49 | P | 79.6 | Confident | 91.8 | Very high | 39 Ų | 39 | 47.4 Ų | 47.4 | 25% | 0.253 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -24.2 | -179 | 23.9 | -28.8 | 0 | 0 | 0 | 114.3 | F369 V374 L488 | P49-F369 HydrophobicContact CB-CD2 4.48Å; P49-F369 HydrophobicContact CG-CB 3.57Å; P49-F369 HydrophobicContact CG-CD1 4.08Å; P49-F369 HydrophobicContact CG-CD2 3.75Å; P49-F369 HydrophobicContact CG-CE2 4.48Å; P49-F369 HydrophobicContact CG-CG 3.52Å; P49-V374 HydrophobicContact CG-CG1 4.23Å; P49-V374 HydrophobicContact CG-CG2 4.41Å; P49-L488 HydrophobicContact CB-CD2 3.86Å |
| 50 | E | 79.4 | Confident | 91.6 | Very high | 34 Ų | 34 | 52.2 Ų | 52.2 | 16% | 0.159 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 66.9 | 163.2 | -65.2 | -155.9 | 130.4 | 0 | 0 | 108.6 | A48 R52 K53 F72 K367 V374 K375 | A48-E50 PolarHBondContact O-N 3.49Å; E50-R52 VanDerWaalsContact C-N 3.31Å; E50-R52 PolarHBondContact O-N 2.94Å; E50-K53 IonicContact OE2-NZ 2.75Å; E50-K53 PolarHBondContact OE2-NZ 2.71Å; E50-F72 WeakPolarHBondContact O-CE1 3.44Å; E50-K367 HydrophobicContact CG-CD 4.39Å; E50-V374 HydrophobicContact CG-CB 4.43Å; E50-V374 HydrophobicContact CG-CG2 4Å; E50-K375 VanDerWaalsContact OE1-CB 3.32Å; E50-K375 WeakPolarHBondContact OE1-CB 3.4Å; E50-K375 WeakPolarHBondContact OE1-CD 3.46Å |
| 51 | S | 84.1 | Confident | 91.4 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | trans | -59.2 | -41.2 | -170.6 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | F44 I45 A48 | F44-S51 CarbonylContact C-O 3.55Å; F44-S51 WeakPolarHBondContact CA-O 3.33Å; F44-S51 VanDerWaalsContact CE2-OG 3.28Å; F44-S51 WeakPolarHBondContact CE2-OG 3.45Å; I45-S51 PolarHBondContact N-O 3.06Å; I45-S51 VanDerWaalsContact O-CA 3.28Å; I45-S51 WeakPolarHBondContact O-CA 3.48Å; I45-S51 WeakPolarHBondContact O-CB 3.42Å; A48-S51 WeakPolarHBondContact O-CB 3.44Å; A48-S51 PolarHBondContact O-N 3.3Å | ||
| 52 | R | 91 | Very high | 91.1 | Very high | 102 Ų | 102 | 57.6 Ų | 57.6 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.1 | -173.4 | -164.2 | 172.9 | -69.8 | -100 | -11 | 113 | E42 L43 F44 E50 | E42-R52 HydrophobicContact CG-CG 4Å; E42-R52 IonicContact OE1-CZ 2.71Å; E42-R52 IonicContact OE1-NH1 2.82Å; E42-R52 PolarHBondContact OE1-NH1 2.65Å; E42-R52 WeakPolarHBondContact OE2-CD 3.35Å; E42-R52 IonicContact OE2-CZ 3.32Å; E42-R52 IonicContact OE2-NE 3.78Å; E42-R52 IonicContact OE2-NH1 3.82Å; E42-R52 PolarHBondContact OE2-NH1 3.3Å; L43-R52 CarbonylContact O-C 3.57Å; L43-R52 WeakPolarHBondContact O-CA 3.2Å; F44-R52 HydrophobicContact CD2-CB 4.03Å; E50-R52 VanDerWaalsContact C-N 3.31Å; E50-R52 PolarHBondContact O-N 2.94Å |
| 53 | K | 93.8 | Very high | 91.1 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 19% | 0.191 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 149.3 | 172.1 | -62.5 | -179.6 | -171.5 | -86.6 | 0 | 109.4 | L43 E50 F70 H71 F72 | L43-K53 PolarHBondContact N-O 2.99Å; L43-K53 PolarHBondContact O-N 3.29Å; E50-K53 IonicContact OE2-NZ 2.75Å; E50-K53 PolarHBondContact OE2-NZ 2.71Å; K53-F70 HydrophobicContact CB-CD1 3.77Å; K53-F70 HydrophobicContact CB-CE1 4.2Å; K53-F70 HydrophobicContact CB-CG 4.3Å; K53-F70 HydrophobicContact CD-CB 3.92Å; K53-F70 HydrophobicContact CD-CD1 3.98Å; K53-F70 HydrophobicContact CD-CG 4.33Å; K53-F70 HydrophobicContact CG-CD1 4.39Å; K53-H71 WeakPolarHBondContact CE-O 3.44Å; K53-F72 HydrophobicContact CB-CZ 4.15Å; K53-F72 HydrophobicContact CD-CD1 4.42Å; K53-F72 HydrophobicContact CD-CE1 3.76Å; K53-F72 HydrophobicContact CD-CE2 4.11Å; K53-F72 HydrophobicContact CD-CZ 3.59Å; K53-F72 HydrophobicContact CG-CE1 4.04Å; K53-F72 HydrophobicContact CG-CZ 3.94Å |
| 54 | R | 95.3 | Very high | 91 | Very high | 157 Ų | 157 | 59.9 Ų | 59.9 | 59% | 0.592 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 152.3 | 178.8 | 69.1 | 175.8 | -177.7 | 176.8 | 0.4 | 112.7 | Y40 V41 F70 | Y40-R54 HydrophobicContact CD2-CB 4.26Å; Y40-R54 HydrophobicContact CE2-CB 4.49Å; V41-R54 CarbonylContact O-C 3.48Å; V41-R54 VanDerWaalsContact O-CA 3.23Å; V41-R54 WeakPolarHBondContact O-CA 3.45Å; R54-F70 WeakPolarHBondContact O-CE1 3.43Å; R54-F70 WeakPolarHBondContact O-CZ 3.28Å |
| 55 | T | 96.9 | Very high | 91.1 | Very high | 5 Ų | 5 | 64.7 Ų | 64.7 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 169 | 167.7 | 67.5 | 0 | 0 | 0 | 0 | 110.9 | V19 V41 W66 E68 F70 | V19-T55 HydrophobicContact CB-CG2 3.79Å; V19-T55 HydrophobicContact CG1-CG2 3.92Å; V19-T55 HydrophobicContact CG2-CG2 3.97Å; V41-T55 HydrophobicContact CB-CG2 4.1Å; V41-T55 PolarHBondContact N-OG1 3.02Å; V41-T55 PolarHBondContact O-N 3.46Å; T55-W66 HydrophobicContact CG2-CB 4.13Å; T55-W66 HydrophobicContact CG2-CD2 4.5Å; T55-W66 HydrophobicContact CG2-CG 4.04Å; T55-W66 PolarHBondContact OG1-NE1 3.28Å; T55-E68 WeakPolarHBondContact CA-OE2 3.48Å; T55-E68 HydrophobicContact CG2-CB 4.21Å; T55-F70 HydrophobicContact CG2-CE2 3.85Å; T55-F70 HydrophobicContact CG2-CZ 3.92Å |
| 56 | K | 94.9 | Very high | 91.2 | Very high | 155 Ų | 155 | 65.7 Ų | 65.7 | 67% | 0.674 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 151.3 | 161 | -62.7 | -178.5 | -178.3 | -179.1 | 0 | 109.8 | W66 E68 | K56-W66 PolarHBondContact O-NE1 3.29Å; K56-E68 PolarHBondContact N-OE1 3.28Å |
| 57 | H | 93.6 | Very high | 91.6 | Very high | 101 Ų | 101 | 67.1 Ų | 67.1 | 47% | 0.468 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 155.7 | 165.5 | 64.1 | -91.6 | 0 | 0 | 0 | 110 | P39 Y40 D59 A89 | P39-H57 WeakPolarHBondContact O-CA 3.04Å; Y40-H57 HydrophobicContact CD1-CB 4.1Å; Y40-H57 HydrophobicContact CG-CB 4.47Å; H57-D59 IonicContact CD2-OD1 3.47Å; H57-D59 PolarHBondContact CD2-OD1 2.93Å; H57-D59 IonicContact NE2-OD1 2.66Å; H57-D59 PolarHBondContact NE2-OD1 2.83Å; H57-A89 HydrophobicContact CB-CB 3.91Å |
| 58 | I | 92.8 | Very high | 92.1 | Very high | 46 Ų | 46 | 67.7 Ų | 67.7 | 24% | 0.236 | 32% | 0.322 | C | S | . | . | trans | -126.1 | 116 | 175.3 | -62.8 | 174.6 | 0 | 0 | 0 | 107.8 | D38 P39 N60 N61 P64 W66 | D38-I58 WeakPolarHBondContact CA-O 3.49Å; P39-I58 WeakPolarHBondContact CD-O 3.18Å; P39-I58 PolarHBondContact O-N 2.91Å; I58-N60 PolarHBondContact O-N 3.41Å; I58-N61 HydrophobicContact CB-CB 4.43Å; I58-N61 HydrophobicContact CG2-CB 3.63Å; I58-P64 HydrophobicContact CB-CB 4.4Å; I58-P64 HydrophobicContact CD1-CB 3.86Å; I58-W66 HydrophobicContact CD1-CG 4.4Å | ||
| 59 | D | 91.3 | Very high | 92.6 | Very high | 102 Ų | 102 | 70.6 Ų | 70.6 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 134.8 | -174.7 | -53.1 | -18.5 | 0 | 0 | 0 | 112.2 | D38 H57 N61 | D38-D59 WeakPolarHBondContact OD1-CA 3.24Å; H57-D59 IonicContact CD2-OD1 3.47Å; H57-D59 PolarHBondContact CD2-OD1 2.93Å; H57-D59 IonicContact NE2-OD1 2.66Å; H57-D59 PolarHBondContact NE2-OD1 2.83Å; D59-N61 VanDerWaalsContact C-N 3.3Å; D59-N61 PolarHBondContact O-N 3.34Å |
| 60 | N | 89.6 | Confident | 93.3 | Very high | 101 Ų | 101 | 69.9 Ų | 69.9 | 54% | 0.54 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 44.4 | 168.9 | -63.5 | -95.8 | 0 | 0 | 0 | 112.9 | T36 P37 D38 I58 | T36-N60 WeakPolarHBondContact CB-OD1 3.33Å; T36-N60 HydrophobicContact CG2-CB 3.99Å; P37-N60 CarbonylContact O-C 3.32Å; P37-N60 WeakPolarHBondContact O-CA 3.45Å; P37-N60 PolarHBondContact O-N 2.88Å; D38-N60 PolarHBondContact OD1-N 2.91Å; I58-N60 PolarHBondContact O-N 3.41Å |
| 61 | N | 92.1 | Very high | 94 | Very high | 53 Ų | 53 | 72.4 Ų | 72.4 | 28% | 0.283 | 34% | 0.343 | S | S | . | . | trans | -132.4 | 105 | -172.2 | -167.6 | -18.3 | 0 | 0 | 0 | 113 | P37 P39 I58 D59 N63 P64 | P37-N61 PolarHBondContact O-N 2.99Å; P39-N61 WeakPolarHBondContact CD-O 3.45Å; P39-N61 WeakPolarHBondContact CG-O 3.37Å; I58-N61 HydrophobicContact CB-CB 4.43Å; I58-N61 HydrophobicContact CG2-CB 3.63Å; D59-N61 VanDerWaalsContact C-N 3.3Å; D59-N61 PolarHBondContact O-N 3.34Å; N61-N63 VanDerWaalsContact C-N 3.26Å; N61-N63 PolarHBondContact O-N 3.16Å; N61-N63 WeakPolarHBondContact OD1-CA 3.37Å; N61-N63 PolarHBondContact OD1-N 2.5Å; N61-N63 PolarHBondContact OD1-O 3.35Å; N61-P64 WeakPolarHBondContact O-CD 3.45Å | ||
| 62 | I | 92.3 | Very high | 94.4 | Very high | 73 Ų | 73 | 72.1 Ų | 72.1 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -76.6 | -6.7 | 177.5 | 64 | 168.6 | 0 | 0 | 0 | 114.5 | S24 V25 T36 P37 P64 | S24-I62 PolarHBondContact N-O 2.98Å; S24-I62 VanDerWaalsContact N-O 3.09Å; V25-I62 PolarHBondContact N-O 3.08Å; V25-I62 WeakPolarHBondContact O-CB 3.46Å; V25-I62 VanDerWaalsContact O-CG2 3.28Å; V25-I62 WeakPolarHBondContact O-CG2 3.31Å; T36-I62 HydrophobicContact CG2-CG2 4.36Å; P37-I62 HydrophobicContact CG-CG2 4.23Å; I62-P64 VanDerWaalsContact C-CD 3.44Å |
| 63 | N | 95.4 | Very high | 94.5 | Very high | 76 Ų | 76 | 68.1 Ų | 68.1 | 41% | 0.406 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -130.7 | 58.3 | 176.5 | -58.8 | -69.3 | 0 | 0 | 0 | 111.2 | A22 E23 S24 N61 | A22-N63 CarbonylContact O-C 3.53Å; A22-N63 WeakPolarHBondContact O-CA 3.17Å; E23-N63 WeakPolarHBondContact CA-OD1 3.37Å; S24-N63 PolarHBondContact N-OD1 2.89Å; N61-N63 VanDerWaalsContact C-N 3.26Å; N61-N63 PolarHBondContact O-N 3.16Å; N61-N63 WeakPolarHBondContact OD1-CA 3.37Å; N61-N63 PolarHBondContact OD1-N 2.5Å; N61-N63 PolarHBondContact OD1-O 3.35Å |
| 64 | P | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | -66.6 | 145.1 | -172.7 | 32 | -39.3 | 0 | 0 | 0 | 111.6 | R21 A22 V25 P39 I58 N61 I62 W66 | R21-P64 CarbonylContact C-O 3.57Å; R21-P64 WeakPolarHBondContact CA-O 3.43Å; R21-P64 WeakPolarHBondContact CB-O 3.05Å; A22-P64 HydrophobicContact CB-CG 3.73Å; A22-P64 PolarHBondContact N-O 2.7Å; V25-P64 HydrophobicContact CG2-CG 4.32Å; P39-P64 HydrophobicContact CB-CG 4.18Å; P39-P64 HydrophobicContact CG-CB 3.8Å; P39-P64 HydrophobicContact CG-CG 3.51Å; I58-P64 HydrophobicContact CB-CB 4.4Å; I58-P64 HydrophobicContact CD1-CB 3.86Å; N61-P64 WeakPolarHBondContact O-CD 3.45Å; I62-P64 VanDerWaalsContact C-CD 3.44Å; P64-W66 HydrophobicContact CB-CD2 4.26Å; P64-W66 HydrophobicContact CB-CE3 4.44Å; P64-W66 HydrophobicContact CB-CH2 3.8Å; P64-W66 HydrophobicContact CB-CZ2 3.52Å; P64-W66 HydrophobicContact CB-CZ3 4.24Å; P64-W66 HydrophobicContact CG-CE3 4.35Å; P64-W66 HydrophobicContact CG-CH2 3.13Å; P64-W66 HydrophobicContact CG-CZ2 3.35Å; P64-W66 HydrophobicContact CG-CZ3 3.69Å | ||
| 65 | K | 97.1 | Very high | 94.2 | Very high | 143 Ų | 143 | 60.2 Ų | 60.2 | 62% | 0.622 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 105.4 | 172.5 | -65.2 | -177.3 | -177.6 | 176.3 | 0 | 109 | R21 | R21-K65 HydrophobicContact CB-CB 4.42Å; R21-K65 HydrophobicContact CB-CG 3.94Å |
| 66 | W | 97.5 | Very high | 93.8 | Very high | 20 Ų | 20 | 62.9 Ų | 62.9 | 8% | 0.076 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -48.7 | -179 | -59.7 | -81.6 | 0 | 0 | 0 | 111.6 | V19 V20 A22 P39 V41 T55 K56 I58 P64 E68 L86 | V19-W66 HydrophobicContact CG1-CD2 4.32Å; V19-W66 HydrophobicContact CG1-CE3 3.7Å; V19-W66 HydrophobicContact CG1-CZ3 4.16Å; V20-W66 PolarHBondContact O-N 3.13Å; A22-W66 HydrophobicContact CB-CH2 3.75Å; A22-W66 HydrophobicContact CB-CZ3 3.72Å; P39-W66 HydrophobicContact CB-CH2 4.4Å; P39-W66 HydrophobicContact CB-CZ2 3.97Å; P39-W66 HydrophobicContact CG-CZ2 4.22Å; P39-W66 WeakPolarHBondContact O-CZ2 3.41Å; P39-W66 PolarHBondContact O-NE1 3.41Å; V41-W66 HydrophobicContact CG2-CE3 4.38Å; V41-W66 HydrophobicContact CG2-CH2 3.65Å; V41-W66 HydrophobicContact CG2-CZ2 4.14Å; V41-W66 HydrophobicContact CG2-CZ3 3.8Å; T55-W66 HydrophobicContact CG2-CB 4.13Å; T55-W66 HydrophobicContact CG2-CD2 4.5Å; T55-W66 HydrophobicContact CG2-CG 4.04Å; T55-W66 PolarHBondContact OG1-NE1 3.28Å; K56-W66 PolarHBondContact O-NE1 3.29Å; I58-W66 HydrophobicContact CD1-CG 4.4Å; P64-W66 HydrophobicContact CB-CD2 4.26Å; P64-W66 HydrophobicContact CB-CE3 4.44Å; P64-W66 HydrophobicContact CB-CH2 3.8Å; P64-W66 HydrophobicContact CB-CZ2 3.52Å; P64-W66 HydrophobicContact CB-CZ3 4.24Å; P64-W66 HydrophobicContact CG-CE3 4.35Å; P64-W66 HydrophobicContact CG-CH2 3.13Å; P64-W66 HydrophobicContact CG-CZ2 3.35Å; P64-W66 HydrophobicContact CG-CZ3 3.69Å; W66-E68 HydrophobicContact CB-CB 4.43Å; W66-E68 HydrophobicContact CB-CG 4.17Å; W66-E68 PolarHBondContact O-N 3.2Å; W66-L86 HydrophobicContact CH2-CD1 4.26Å |
| 67 | N | 96.8 | Very high | 93.4 | Very high | 101 Ų | 101 | 58.6 Ų | 58.6 | 54% | 0.54 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.8 | 35.5 | -170.8 | -57.4 | -61.1 | 0 | 0 | 0 | 113 | V19 V20 | V19-N67 WeakPolarHBondContact O-CA 3.25Å; V19-N67 PolarHBondContact O-N 3.19Å; V20-N67 PolarHBondContact O-N 3.18Å; V20-N67 VanDerWaalsContact O-N 3.14Å |
| 68 | E | 97.7 | Very high | 93.2 | Very high | 50 Ų | 50 | 58.3 Ų | 58.3 | 23% | 0.234 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 132.9 | -179.9 | -69.7 | -174.8 | -128.1 | 0 | 0 | 110 | T18 V19 T55 K56 W66 F70 | T18-E68 CarbonylContact C-O 3.52Å; T18-E68 VanDerWaalsContact CA-O 3.3Å; T18-E68 WeakPolarHBondContact CA-O 3.41Å; V19-E68 PolarHBondContact N-O 3.48Å; V19-E68 PolarHBondContact O-N 3.45Å; T55-E68 WeakPolarHBondContact CA-OE2 3.48Å; T55-E68 HydrophobicContact CG2-CB 4.21Å; K56-E68 PolarHBondContact N-OE1 3.28Å; W66-E68 HydrophobicContact CB-CB 4.43Å; W66-E68 HydrophobicContact CB-CG 4.17Å; W66-E68 PolarHBondContact O-N 3.2Å; E68-F70 HydrophobicContact CB-CE2 3.85Å; E68-F70 HydrophobicContact CB-CZ 3.86Å |
| 69 | T | 96.9 | Very high | 93.1 | Very high | 69 Ų | 69 | 60.6 Ų | 60.6 | 42% | 0.423 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.9 | -177.4 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | T16 V17 T18 | T16-T69 HydrophobicContact CG2-CG2 3.56Å; V17-T69 WeakPolarHBondContact O-CA 3.4Å; T18-T69 WeakPolarHBondContact CG2-OG1 3.21Å; T18-T69 WeakPolarHBondContact OG1-CG2 3.18Å; T18-T69 PolarHBondContact OG1-OG1 2.73Å |
| 70 | F | 95.4 | Very high | 93.2 | Very high | 25 Ų | 25 | 56.1 Ų | 56.1 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150.6 | 179.9 | -53.7 | -83.7 | 0 | 0 | 0 | 110.4 | T16 V17 V19 L43 K53 R54 T55 E68 F72 | T16-F70 WeakPolarHBondContact CA-O 3.5Å; V17-F70 HydrophobicContact CG1-CB 4.04Å; V17-F70 PolarHBondContact N-O 3.13Å; V17-F70 PolarHBondContact O-N 2.9Å; V19-F70 HydrophobicContact CG2-CD2 4.23Å; V19-F70 HydrophobicContact CG2-CE2 3.91Å; L43-F70 HydrophobicContact CD1-CB 4.18Å; L43-F70 HydrophobicContact CD1-CD2 3.43Å; L43-F70 VanDerWaalsContact CD1-CD2 3.43Å; L43-F70 HydrophobicContact CD1-CE2 4.02Å; L43-F70 HydrophobicContact CD1-CG 3.93Å; K53-F70 HydrophobicContact CB-CD1 3.77Å; K53-F70 HydrophobicContact CB-CE1 4.2Å; K53-F70 HydrophobicContact CB-CG 4.3Å; K53-F70 HydrophobicContact CD-CB 3.92Å; K53-F70 HydrophobicContact CD-CD1 3.98Å; K53-F70 HydrophobicContact CD-CG 4.33Å; K53-F70 HydrophobicContact CG-CD1 4.39Å; R54-F70 WeakPolarHBondContact O-CE1 3.43Å; R54-F70 WeakPolarHBondContact O-CZ 3.28Å; T55-F70 HydrophobicContact CG2-CE2 3.85Å; T55-F70 HydrophobicContact CG2-CZ 3.92Å; E68-F70 HydrophobicContact CB-CE2 3.85Å; E68-F70 HydrophobicContact CB-CZ 3.86Å; F70-F72 HydrophobicContact CB-CE2 4.12Å |
| 71 | H | 93.6 | Very high | 93.5 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 40% | 0.403 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137.9 | 178.3 | -56.5 | -62.5 | 0 | 0 | 0 | 110.4 | K14 F15 T16 K53 | K14-H71 WeakPolarHBondContact CE-ND1 3.26Å; F15-H71 CarbonylContact O-C 3.55Å; F15-H71 WeakPolarHBondContact O-CA 3.47Å; T16-H71 PolarHBondContact OG1-ND1 3.26Å; K53-H71 WeakPolarHBondContact CE-O 3.44Å |
| 72 | F | 93.3 | Very high | 93.7 | Very high | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.022 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 138.4 | 173.7 | -60.2 | -94.2 | 0 | 0 | 0 | 109.3 | K14 F15 V17 L43 I45 A48 E50 K53 F70 L74 | K14-F72 WeakPolarHBondContact CA-O 3.47Å; F15-F72 HydrophobicContact CB-CB 4.36Å; F15-F72 HydrophobicContact CD1-CB 4.37Å; F15-F72 AromaticContact CD1-CD2 3.85Å; F15-F72 HydrophobicContact CD1-CD2 3.85Å; F15-F72 HydrophobicContact CD1-CG 4.45Å; F15-F72 HydrophobicContact CE1-CD2 4.41Å; F15-F72 PolarHBondContact N-O 3.02Å; F15-F72 PolarHBondContact O-N 3.07Å; V17-F72 HydrophobicContact CG1-CD2 4.14Å; V17-F72 HydrophobicContact CG1-CE2 3.67Å; L43-F72 HydrophobicContact CB-CZ 4.08Å; L43-F72 HydrophobicContact CD1-CE2 4.38Å; I45-F72 HydrophobicContact CB-CD1 4.45Å; I45-F72 HydrophobicContact CD1-CB 3.97Å; I45-F72 HydrophobicContact CD1-CD1 3.78Å; I45-F72 HydrophobicContact CD1-CD2 3.84Å; I45-F72 HydrophobicContact CD1-CE1 4.16Å; I45-F72 HydrophobicContact CD1-CE2 4.22Å; I45-F72 HydrophobicContact CD1-CG 3.59Å; I45-F72 HydrophobicContact CD1-CZ 4.35Å; I45-F72 HydrophobicContact CG1-CD1 4.27Å; I45-F72 HydrophobicContact CG1-CE1 4.27Å; A48-F72 HydrophobicContact CB-CD1 4.21Å; E50-F72 WeakPolarHBondContact O-CE1 3.44Å; K53-F72 HydrophobicContact CB-CZ 4.15Å; K53-F72 HydrophobicContact CD-CD1 4.42Å; K53-F72 HydrophobicContact CD-CE1 3.76Å; K53-F72 HydrophobicContact CD-CE2 4.11Å; K53-F72 HydrophobicContact CD-CZ 3.59Å; K53-F72 HydrophobicContact CG-CE1 4.04Å; K53-F72 HydrophobicContact CG-CZ 3.94Å; F70-F72 HydrophobicContact CB-CE2 4.12Å; F72-L74 HydrophobicContact CB-CD2 4Å; F72-L74 HydrophobicContact CB-CG 4.39Å |
| 73 | I | 92.2 | Very high | 93.9 | Very high | 18 Ų | 18 | 51 Ų | 51 | 9% | 0.092 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 125.6 | 169.5 | -53.4 | -57.2 | 0 | 0 | 0 | 107.3 | H13 K14 F369 T372 V374 | H13-I73 CarbonylContact O-C 3.53Å; H13-I73 WeakPolarHBondContact O-CA 3.49Å; K14-I73 HydrophobicContact CB-CD1 4.23Å; K14-I73 HydrophobicContact CG-CD1 4.21Å; I73-F369 HydrophobicContact CB-CD1 4.21Å; I73-F369 HydrophobicContact CG2-CD1 3.93Å; I73-F369 WeakPolarHBondContact O-CD1 3.43Å; I73-T372 HydrophobicContact CD1-CG2 4.14Å; I73-T372 HydrophobicContact CG1-CG2 4.18Å; I73-V374 HydrophobicContact CB-CG1 3.99Å; I73-V374 HydrophobicContact CG1-CG1 3.79Å |
| 74 | L | 92.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 142.2 | -171.1 | -55.1 | -179.3 | 0 | 0 | 0 | 110.9 | H13 F15 I45 A48 F72 P76 N80 I104 | H13-L74 HydrophobicContact CB-CB 4.47Å; H13-L74 PolarHBondContact N-O 3.47Å; H13-L74 PolarHBondContact O-N 2.85Å; F15-L74 HydrophobicContact CB-CD1 3.5Å; F15-L74 VanDerWaalsContact CB-CD1 3.5Å; F15-L74 HydrophobicContact CB-CG 4.1Å; F15-L74 HydrophobicContact CD1-CD1 4.46Å; F15-L74 HydrophobicContact CG-CD1 4.11Å; I45-L74 HydrophobicContact CD1-CD2 4.09Å; I45-L74 HydrophobicContact CG2-CD2 3.9Å; A48-L74 HydrophobicContact CB-CD2 4.01Å; F72-L74 HydrophobicContact CB-CD2 4Å; F72-L74 HydrophobicContact CB-CG 4.39Å; L74-P76 WeakPolarHBondContact O-CD 3.44Å; L74-N80 HydrophobicContact CD1-CB 4.06Å; L74-I104 HydrophobicContact CD1-CD1 3.73Å; L74-I104 HydrophobicContact CD1-CG2 4.12Å |
| 75 | D | 90.6 | Very high | 93.9 | Very high | 34 Ų | 34 | 48.2 Ų | 48.2 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | trans | -81.7 | 115.8 | 167.1 | -179.3 | -1.7 | 0 | 0 | 0 | 108.8 | G77 Q78 N80 F369 M370 | D75-G77 PolarHBondContact O-N 2.97Å; D75-G77 VanDerWaalsContact O-N 3.15Å; D75-G77 PolarHBondContact OD1-N 3.02Å; D75-Q78 HydrophobicContact CB-CB 4.34Å; D75-Q78 HydrophobicContact CB-CG 3.83Å; D75-Q78 PolarHBondContact O-N 3.33Å; D75-Q78 VanDerWaalsContact O-N 3.08Å; D75-N80 PolarHBondContact O-ND2 2.75Å; D75-F369 HydrophobicContact CB-CE1 4.34Å; D75-F369 HydrophobicContact CB-CZ 4.25Å; D75-M370 VanDerWaalsContact CA-SD 3.59Å; D75-M370 HydrophobicContact CB-CE 4.12Å; D75-M370 HydrophobicContact CB-SD 3.56Å; D75-M370 VanDerWaalsContact CB-SD 3.56Å | ||
| 76 | P | 88.9 | Confident | 93.9 | Very high | 61 Ų | 61 | 41.4 Ų | 41.4 | 40% | 0.396 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.9 | 176.9 | 26.8 | -35 | 0 | 0 | 0 | 113.9 | I11 L74 Q78 | I11-P76 WeakPolarHBondContact O-CD 3.44Å; I11-P76 WeakPolarHBondContact O-CG 3.5Å; L74-P76 WeakPolarHBondContact O-CD 3.44Å; P76-Q78 VanDerWaalsContact C-N 3.28Å |
| 77 | G | 87.2 | Confident | 93.8 | Very high | 64 Ų | 64 | 41.3 Ų | 41.3 | 66% | 0.66 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -10.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D75 | D75-G77 PolarHBondContact O-N 2.97Å; D75-G77 VanDerWaalsContact O-N 3.15Å; D75-G77 PolarHBondContact OD1-N 3.02Å |
| 78 | Q | 88.6 | Confident | 93.5 | Very high | 96 Ų | 96 | 36.5 Ų | 36.5 | 45% | 0.449 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -101.6 | 152.2 | -178.4 | -64.9 | -68.2 | -24.2 | 0 | 0 | 112.3 | T47 D75 P76 N80 | T47-Q78 HydrophobicContact CG2-CB 4.07Å; D75-Q78 HydrophobicContact CB-CB 4.34Å; D75-Q78 HydrophobicContact CB-CG 3.83Å; D75-Q78 PolarHBondContact O-N 3.33Å; D75-Q78 VanDerWaalsContact O-N 3.08Å; P76-Q78 VanDerWaalsContact C-N 3.28Å; Q78-N80 VanDerWaalsContact C-N 3.31Å; Q78-N80 PolarHBondContact O-N 2.92Å; Q78-N80 PolarHBondContact O-ND2 2.92Å; Q78-N80 VanDerWaalsContact O-ND2 3.11Å |
| 79 | P | 90.2 | Very high | 93.1 | Very high | 93 Ų | 93 | 34.7 Ų | 34.7 | 60% | 0.604 | 21% | 0.205 | S | C | * | . | trans | -74.1 | 83.2 | 172.7 | 31.7 | -34.1 | 0 | 0 | 0 | 110.5 | V81 | P79-V81 PolarHBondContact O-N 2.86Š| ||
| 80 | N | 93.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 4% | 0.043 | 20% | 0.197 | C | C | . | . | trans | -77.8 | 111.9 | -177.8 | -57.7 | -63.9 | 0 | 0 | 0 | 111.2 | T47 L74 D75 Q78 I104 | T47-N80 PolarHBondContact OG1-OD1 3.21Å; L74-N80 HydrophobicContact CD1-CB 4.06Å; D75-N80 PolarHBondContact O-ND2 2.75Å; Q78-N80 VanDerWaalsContact C-N 3.31Å; Q78-N80 PolarHBondContact O-N 2.92Å; Q78-N80 PolarHBondContact O-ND2 2.92Å; Q78-N80 VanDerWaalsContact O-ND2 3.11Å; N80-I104 HydrophobicContact CB-CB 4.28Å; N80-I104 HydrophobicContact CB-CD1 4.09Å; N80-I104 WeakPolarHBondContact O-CB 3.47Å; N80-I104 PolarHBondContact O-N 3.47Å; N80-I104 VanDerWaalsContact O-N 3.09Å | ||
| 81 | V | 95.7 | Very high | 91.7 | Very high | 47 Ų | 47 | 44.4 Ų | 44.4 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.9 | 175.9 | -178.5 | 0 | 0 | 0 | 0 | 109 | P79 | P79-V81 PolarHBondContact O-N 2.86Å |
| 82 | L | 96.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 117.4 | 169.1 | 173.7 | 65.9 | 0 | 0 | 0 | 109.2 | F15 V17 L43 I45 S101 F102 I104 L127 M129 | F15-L82 HydrophobicContact CE1-CD2 4.1Å; F15-L82 HydrophobicContact CZ-CD2 4.06Å; V17-L82 HydrophobicContact CG2-CD2 4.44Å; L43-L82 HydrophobicContact CB-CD1 4.06Å; L43-L82 HydrophobicContact CD2-CD1 4.1Å; I45-L82 HydrophobicContact CD1-CD1 4.3Å; I45-L82 HydrophobicContact CG1-CB 4.45Å; I45-L82 HydrophobicContact CG1-CD1 3.93Å; L82-S101 CarbonylContact O-C 3.43Å; L82-S101 VanDerWaalsContact O-CA 3.22Å; L82-S101 WeakPolarHBondContact O-CA 3.33Å; L82-F102 HydrophobicContact CB-CB 4.38Å; L82-F102 PolarHBondContact N-O 2.87Å; L82-F102 PolarHBondContact O-N 3.46Å; L82-I104 HydrophobicContact CB-CD1 4.22Å; L82-I104 HydrophobicContact CB-CG1 4.29Å; L82-L127 HydrophobicContact CD2-CD2 3.97Å; L82-M129 HydrophobicContact CD2-SD 4.06Å |
| 83 | E | 96.3 | Very high | 90.1 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 34% | 0.336 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.9 | 166 | -64.2 | 178.9 | -166.6 | 0 | 0 | 109 | L43 F44 | L43-E83 CarbonylContact C-O 3.55Å; L43-E83 WeakPolarHBondContact CA-O 3.39Å; F44-E83 HydrophobicContact CB-CB 4.15Å; F44-E83 HydrophobicContact CD1-CB 4.41Å; F44-E83 WeakPolarHBondContact CD1-OE2 2.92Å; F44-E83 PolarHBondContact N-O 3.25Å; F44-E83 PolarHBondContact O-N 2.8Å |
| 84 | L | 96.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117.9 | -177.1 | 174.7 | 74.6 | 0 | 0 | 0 | 108 | V41 E42 L43 T99 A100 F117 F119 V125 L127 | V41-L84 HydrophobicContact CG1-CD1 3.18Å; V41-L84 HydrophobicContact CG1-CG 4.38Å; E42-L84 WeakPolarHBondContact O-CA 3.4Å; L43-L84 HydrophobicContact CD2-CD1 3.45Å; L43-L84 VanDerWaalsContact CD2-CD1 3.45Å; L84-T99 CarbonylContact O-C 3.58Å; L84-T99 VanDerWaalsContact O-CA 3.31Å; L84-T99 WeakPolarHBondContact O-CA 3.34Å; L84-A100 PolarHBondContact N-O 3.1Å; L84-A100 PolarHBondContact O-N 3.3Å; L84-F117 HydrophobicContact CD2-CB 3.76Å; L84-F117 HydrophobicContact CD2-CD1 4.07Å; L84-F117 HydrophobicContact CD2-CD2 3.51Å; L84-F117 HydrophobicContact CD2-CE2 4.09Å; L84-F117 HydrophobicContact CD2-CG 3.49Å; L84-F117 VanDerWaalsContact CD2-CG 3.49Å; L84-F119 HydrophobicContact CD2-CE2 4.01Å; L84-F119 HydrophobicContact CD2-CZ 3.73Å; L84-F119 HydrophobicContact CG-CZ 4.02Å; L84-V125 HydrophobicContact CD2-CG1 4.47Å; L84-L127 HydrophobicContact CD1-CD1 3.99Å; L84-L127 HydrophobicContact CD1-CD2 3.85Å; L84-L127 HydrophobicContact CD2-CD1 4Å; L84-L127 HydrophobicContact CD2-CD2 4.22Å |
| 85 | T | 96.2 | Very high | 89.8 | Confident | 16 Ų | 16 | 60.2 Ų | 60.2 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124 | 177.2 | -53.9 | 0 | 0 | 0 | 0 | 109.7 | E42 M87 T96 G98 | E42-T85 PolarHBondContact N-O 3.46Å; E42-T85 PolarHBondContact O-N 3.02Å; T85-M87 HydrophobicContact CG2-CG 4.03Å; T85-M87 HydrophobicContact CG2-SD 3.44Å; T85-M87 WeakPolarHBondContact CG2-SD 3.43Å; T85-T96 HydrophobicContact CG2-CG2 3.46Å; T85-T96 VanDerWaalsContact CG2-CG2 3.46Å; T85-G98 WeakPolarHBondContact CA-O 3.49Å |
| 86 | L | 96.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.4 | 170.1 | -178.2 | 67.2 | 0 | 0 | 0 | 108.2 | V25 P39 V41 W66 L97 G98 F119 T123 V125 | V25-L86 HydrophobicContact CG1-CD2 4.26Å; V25-L86 HydrophobicContact CG2-CD2 4.41Å; P39-L86 HydrophobicContact CB-CD1 4.33Å; V41-L86 HydrophobicContact CG2-CD1 3.98Å; W66-L86 HydrophobicContact CH2-CD1 4.26Å; L86-L97 HydrophobicContact CB-CB 4.44Å; L86-L97 HydrophobicContact CD2-CB 4.19Å; L86-L97 HydrophobicContact CD2-CD1 4.14Å; L86-L97 HydrophobicContact CG-CB 4.17Å; L86-L97 HydrophobicContact CG-CD1 4.15Å; L86-L97 WeakPolarHBondContact O-CB 3.31Å; L86-L97 PolarHBondContact O-N 3.37Å; L86-G98 PolarHBondContact N-O 3.18Å; L86-G98 PolarHBondContact O-N 3.22Å; L86-F119 HydrophobicContact CB-CD1 4.36Å; L86-F119 HydrophobicContact CB-CE1 4.24Å; L86-F119 HydrophobicContact CB-CE2 4.46Å; L86-F119 HydrophobicContact CB-CZ 4.29Å; L86-F119 HydrophobicContact CD2-CD2 4.46Å; L86-F119 HydrophobicContact CD2-CG 4.48Å; L86-T123 HydrophobicContact CD2-CG2 3.61Å; L86-V125 HydrophobicContact CD1-CG2 4.29Å; L86-V125 HydrophobicContact CD2-CG2 4.25Å |
| 87 | M | 94.8 | Very high | 89.9 | Confident | 18 Ų | 18 | 61.3 Ų | 61.3 | 9% | 0.089 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 158.6 | -174.7 | -61.4 | -66.5 | -67 | 0 | 0 | 110.4 | P39 Y40 T85 D94 E95 T96 | P39-M87 VanDerWaalsContact CA-O 3.26Å; P39-M87 WeakPolarHBondContact CA-O 3.12Å; Y40-M87 HydrophobicContact CD1-CB 3.72Å; Y40-M87 HydrophobicContact CD2-CB 3.86Å; Y40-M87 HydrophobicContact CD2-CG 4.23Å; Y40-M87 HydrophobicContact CE1-CB 3.34Å; Y40-M87 HydrophobicContact CE1-CG 4.27Å; Y40-M87 HydrophobicContact CE2-CB 3.47Å; Y40-M87 VanDerWaalsContact CE2-CB 3.47Å; Y40-M87 HydrophobicContact CE2-CG 3.57Å; Y40-M87 HydrophobicContact CG-CB 3.99Å; Y40-M87 PolarHBondContact N-O 3.47Å; Y40-M87 PolarHBondContact O-N 3.37Å; T85-M87 HydrophobicContact CG2-CG 4.03Å; T85-M87 HydrophobicContact CG2-SD 3.44Å; T85-M87 WeakPolarHBondContact CG2-SD 3.43Å; M87-D94 HydrophobicContact CE-CB 3.88Å; M87-E95 CarbonylContact C-O 3.53Å; M87-E95 WeakPolarHBondContact CA-O 3.31Å; M87-T96 HydrophobicContact SD-CG2 4.11Å; M87-T96 PolarHBondContact SD-OG1 2.94Å |
| 88 | D | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 119.7 | 174.1 | -174.9 | 51.3 | 0 | 0 | 0 | 108.9 | K27 P37 D38 D94 E95 L97 | K27-D88 VanDerWaalsContact CD-OD2 3.31Å; K27-D88 WeakPolarHBondContact CD-OD2 3.49Å; K27-D88 WeakPolarHBondContact CE-OD2 3.29Å; K27-D88 IonicContact NZ-OD1 2.65Å; K27-D88 IonicContact NZ-OD2 3.8Å; K27-D88 PolarHBondContact NZ-OD2 3.42Å; P37-D88 WeakPolarHBondContact CA-OD1 3.38Å; D38-D88 PolarHBondContact N-OD1 3.2Å; D88-D94 CarbonylContact O-C 3.55Å; D88-D94 VanDerWaalsContact O-CA 3.24Å; D88-D94 WeakPolarHBondContact O-CA 3.39Å; D88-D94 WeakPolarHBondContact O-CB 3.44Å; D88-E95 HydrophobicContact CB-CB 4.27Å; D88-E95 PolarHBondContact N-O 3.42Å; D88-E95 PolarHBondContact O-N 3.05Å; D88-L97 HydrophobicContact CB-CD1 4.11Å; D88-L97 HydrophobicContact CB-CD2 3.99Å; D88-L97 HydrophobicContact CB-CG 4.01Å |
| 89 | A | 88.9 | Confident | 90.5 | Very high | 12 Ų | 12 | 58.8 Ų | 58.8 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | trans | -75.4 | 129 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | D38 Y40 H57 D94 | D38-A89 HydrophobicContact CB-CB 4.05Å; D38-A89 PolarHBondContact O-N 2.73Å; Y40-A89 HydrophobicContact CD1-CB 4.16Å; Y40-A89 HydrophobicContact CE1-CB 4.15Å; H57-A89 HydrophobicContact CB-CB 3.91Å; A89-D94 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 90 | N | 86 | Confident | 90.7 | Very high | 48 Ų | 48 | 55.4 Ų | 55.4 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | trans | -131.3 | 151.5 | -179.1 | -76.6 | -47.6 | 0 | 0 | 0 | 110.6 | D35 V92 M93 D94 | D35-N90 PolarHBondContact OD2-OD1 2.83Å; N90-V92 PolarHBondContact O-N 2.81Å; N90-M93 VanDerWaalsContact CB-O 3.26Å; N90-M93 WeakPolarHBondContact CB-O 3.38Å; N90-M93 PolarHBondContact ND2-O 3.16Å; N90-D94 PolarHBondContact N-OD1 3.38Å | ||
| 91 | Y | 76.1 | Confident | 90.7 | Very high | 250 Ų | 250 | 59.1 Ų | 59.1 | 98% | 0.98 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -61.1 | -29 | 178.5 | -73 | -69.7 | 0 | 0 | 0 | 114.3 | ||
| 92 | V | 76.7 | Confident | 90.7 | Very high | 147 Ų | 147 | 57.4 Ų | 57.4 | 89% | 0.891 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -102.4 | -52.5 | -175.6 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | N90 | N90-V92 PolarHBondContact O-N 2.81Š|
| 93 | M | 78.4 | Confident | 90.6 | Very high | 150 Ų | 150 | 59.8 Ų | 59.8 | 74% | 0.739 | 32% | 0.321 | S | S | * | . | trans | -159 | 123.1 | 180 | -175.7 | 176.7 | 68 | 0 | 0 | 109.7 | N90 | N90-M93 VanDerWaalsContact CB-O 3.26Å; N90-M93 WeakPolarHBondContact CB-O 3.38Å; N90-M93 PolarHBondContact ND2-O 3.16Å | ||
| 94 | D | 88.1 | Confident | 90.5 | Very high | 53 Ų | 53 | 56.6 Ų | 56.6 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | trans | -57.8 | 138.9 | 178.6 | -65.8 | -1.9 | 0 | 0 | 0 | 111.5 | Y40 M87 D88 A89 N90 | Y40-D94 HydrophobicContact CE1-CB 4.4Å; Y40-D94 VanDerWaalsContact CE1-OD2 3.32Å; Y40-D94 WeakPolarHBondContact CE1-OD2 3.4Å; Y40-D94 PolarHBondContact OH-OD2 3Å; M87-D94 HydrophobicContact CE-CB 3.88Å; D88-D94 CarbonylContact O-C 3.55Å; D88-D94 VanDerWaalsContact O-CA 3.24Å; D88-D94 WeakPolarHBondContact O-CA 3.39Å; D88-D94 WeakPolarHBondContact O-CB 3.44Å; A89-D94 WeakPolarHBondContact CA-OD1 3.42Å; N90-D94 PolarHBondContact N-OD1 3.38Å | ||
| 95 | E | 88.4 | Confident | 90.1 | Very high | 93 Ų | 93 | 61.2 Ų | 61.2 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.1 | -179 | -175.8 | 179 | 179.3 | 0 | 0 | 110.9 | M87 D88 L97 | M87-E95 CarbonylContact C-O 3.53Å; M87-E95 WeakPolarHBondContact CA-O 3.31Å; D88-E95 HydrophobicContact CB-CB 4.27Å; D88-E95 PolarHBondContact N-O 3.42Å; D88-E95 PolarHBondContact O-N 3.05Å; E95-L97 HydrophobicContact CG-CD2 4.49Å; E95-L97 PolarHBondContact O-N 3.02Å |
| 96 | T | 92.9 | Very high | 89.8 | Confident | 78 Ų | 78 | 67.4 Ų | 67.4 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 111.9 | 172.3 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | T85 M87 | T85-T96 HydrophobicContact CG2-CG2 3.46Å; T85-T96 VanDerWaalsContact CG2-CG2 3.46Å; M87-T96 HydrophobicContact SD-CG2 4.11Å; M87-T96 PolarHBondContact SD-OG1 2.94Å |
| 97 | L | 90.3 | Very high | 89.6 | Confident | 39 Ų | 39 | 68 Ų | 68 | 20% | 0.204 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -24.7 | 176.9 | -56 | -175.4 | 0 | 0 | 0 | 112.4 | V25 K27 L86 D88 E95 | V25-L97 HydrophobicContact CG1-CD1 3.45Å; V25-L97 VanDerWaalsContact CG1-CD1 3.45Å; K27-L97 HydrophobicContact CD-CD2 4.39Å; K27-L97 HydrophobicContact CG-CD2 3.58Å; L86-L97 HydrophobicContact CB-CB 4.44Å; L86-L97 HydrophobicContact CD2-CB 4.19Å; L86-L97 HydrophobicContact CD2-CD1 4.14Å; L86-L97 HydrophobicContact CG-CB 4.17Å; L86-L97 HydrophobicContact CG-CD1 4.15Å; L86-L97 WeakPolarHBondContact O-CB 3.31Å; L86-L97 PolarHBondContact O-N 3.37Å; D88-L97 HydrophobicContact CB-CD1 4.11Å; D88-L97 HydrophobicContact CB-CD2 3.99Å; D88-L97 HydrophobicContact CB-CG 4.01Å; E95-L97 HydrophobicContact CG-CD2 4.49Å; E95-L97 PolarHBondContact O-N 3.02Å |
| 98 | G | 92.2 | Very high | 89.4 | Confident | 20 Ų | 20 | 74.1 Ų | 74.1 | 21% | 0.206 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.9 | 171 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T85 L86 F119 | T85-G98 WeakPolarHBondContact CA-O 3.49Å; L86-G98 PolarHBondContact N-O 3.18Å; L86-G98 PolarHBondContact O-N 3.22Å; G98-F119 VanDerWaalsContact C-CE1 3.41Å; G98-F119 VanDerWaalsContact O-CE1 3.24Å; G98-F119 WeakPolarHBondContact O-CE1 3.48Å |
| 99 | T | 94.2 | Very high | 89.4 | Confident | 87 Ų | 87 | 77.4 Ų | 77.4 | 53% | 0.534 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 143.5 | -177.7 | -52.1 | 0 | 0 | 0 | 0 | 110.6 | L84 | L84-T99 CarbonylContact O-C 3.58Å; L84-T99 VanDerWaalsContact O-CA 3.31Å; L84-T99 WeakPolarHBondContact O-CA 3.34Å |
| 100 | A | 94.9 | Very high | 89.5 | Confident | 23 Ų | 23 | 79.7 Ų | 79.7 | 19% | 0.19 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 161.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | L84 F117 F119 | L84-A100 PolarHBondContact N-O 3.1Å; L84-A100 PolarHBondContact O-N 3.3Å; A100-F117 HydrophobicContact CB-CB 4.38Å; A100-F117 HydrophobicContact CB-CD1 3.67Å; A100-F117 HydrophobicContact CB-CE1 4.41Å; A100-F117 HydrophobicContact CB-CG 4.37Å; A100-F119 HydrophobicContact CB-CE1 4.02Å; A100-F119 HydrophobicContact CB-CZ 3.88Å |
| 101 | S | 94.9 | Very high | 89.7 | Confident | 85 Ų | 85 | 82.2 Ų | 82.2 | 59% | 0.594 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 151.7 | 177.3 | 63.3 | 0 | 0 | 0 | 0 | 112.4 | L82 | L82-S101 CarbonylContact O-C 3.43Å; L82-S101 VanDerWaalsContact O-CA 3.22Å; L82-S101 WeakPolarHBondContact O-CA 3.33Å |
| 102 | F | 95.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 76 Ų | 76 | 5% | 0.053 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 121.9 | 178.8 | -176.5 | -91.2 | 0 | 0 | 0 | 110.8 | L82 I104 K106 L107 E115 F117 M129 | L82-F102 HydrophobicContact CB-CB 4.38Å; L82-F102 PolarHBondContact N-O 2.87Å; L82-F102 PolarHBondContact O-N 3.46Å; F102-I104 HydrophobicContact CD1-CG1 4.41Å; F102-I104 PolarHBondContact O-N 2.89Å; F102-K106 HydrophobicContact CZ-CB 4.38Å; F102-L107 HydrophobicContact CE1-CD1 3.83Å; F102-L107 HydrophobicContact CE1-CD2 4.27Å; F102-L107 HydrophobicContact CE1-CG 3.74Å; F102-L107 HydrophobicContact CZ-CD1 4.43Å; F102-L107 HydrophobicContact CZ-CD2 4.04Å; F102-L107 HydrophobicContact CZ-CG 3.95Å; F102-E115 HydrophobicContact CD2-CG 4.19Å; F102-E115 HydrophobicContact CE2-CG 4.22Å; F102-F117 HydrophobicContact CB-CE1 3.94Å; F102-F117 HydrophobicContact CB-CZ 3.76Å; F102-F117 HydrophobicContact CD2-CE1 4.49Å; F102-F117 HydrophobicContact CD2-CZ 4.14Å; F102-F117 HydrophobicContact CG-CZ 4.2Å; F102-M129 HydrophobicContact CD1-CE 3.93Å; F102-M129 HydrophobicContact CD1-SD 3.9Å; F102-M129 HydrophobicContact CD2-CE 4.04Å; F102-M129 HydrophobicContact CE1-CE 3.75Å; F102-M129 HydrophobicContact CE1-SD 4.08Å; F102-M129 HydrophobicContact CE2-CE 3.87Å; F102-M129 HydrophobicContact CG-CE 4.07Å; F102-M129 HydrophobicContact CG-SD 4.31Å; F102-M129 HydrophobicContact CZ-CE 3.72Å |
| 103 | D | 94.4 | Very high | 91.4 | Very high | 51 Ų | 51 | 72.3 Ų | 72.3 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 111.8 | 175 | 175.8 | 2.4 | 0 | 0 | 0 | 110.1 | T105 K106 | D103-T105 PolarHBondContact O-N 2.88Å; D103-T105 WeakPolarHBondContact OD1-CB 3.48Å; D103-T105 WeakPolarHBondContact OD1-CG2 3.23Å; D103-T105 PolarHBondContact OD1-N 3.45Å; D103-T105 PolarHBondContact OD1-OG1 3.41Å; D103-T105 PolarHBondContact OD2-OG1 3.11Å; D103-T105 VanDerWaalsContact OD2-OG1 3.1Å; D103-K106 HydrophobicContact CB-CD 4.11Å; D103-K106 HydrophobicContact CB-CG 4.34Å; D103-K106 WeakPolarHBondContact O-CB 3.35Å; D103-K106 PolarHBondContact O-N 2.98Å |
| 104 | I | 93.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 69.9 Ų | 69.9 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -68 | -22.3 | -173.3 | -59.4 | 176.1 | 0 | 0 | 0 | 111.1 | F15 I45 L74 N80 L82 F102 K106 L107 L131 | F15-I104 HydrophobicContact CD1-CD1 3.9Å; F15-I104 HydrophobicContact CD2-CG2 4.1Å; F15-I104 HydrophobicContact CE1-CD1 3.9Å; F15-I104 HydrophobicContact CE2-CG2 4.35Å; F15-I104 HydrophobicContact CG-CD1 4.22Å; F15-I104 HydrophobicContact CZ-CD1 4.22Å; F15-I104 HydrophobicContact CZ-CG1 4.37Å; I45-I104 HydrophobicContact CD1-CD1 3.78Å; L74-I104 HydrophobicContact CD1-CD1 3.73Å; L74-I104 HydrophobicContact CD1-CG2 4.12Å; N80-I104 HydrophobicContact CB-CB 4.28Å; N80-I104 HydrophobicContact CB-CD1 4.09Å; N80-I104 WeakPolarHBondContact O-CB 3.47Å; N80-I104 PolarHBondContact O-N 3.47Å; N80-I104 VanDerWaalsContact O-N 3.09Å; L82-I104 HydrophobicContact CB-CD1 4.22Å; L82-I104 HydrophobicContact CB-CG1 4.29Å; F102-I104 HydrophobicContact CD1-CG1 4.41Å; F102-I104 PolarHBondContact O-N 2.89Å; I104-K106 PolarHBondContact O-N 3.38Å; I104-L107 HydrophobicContact CG2-CD1 4.41Å; I104-L107 WeakPolarHBondContact O-CB 3.43Å; I104-L107 PolarHBondContact O-N 2.97Å; I104-L131 HydrophobicContact CG2-CD1 4.13Å |
| 105 | T | 87.1 | Confident | 92.7 | Very high | 98 Ų | 98 | 69.8 Ų | 69.8 | 60% | 0.601 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -62.1 | -18.3 | 177.1 | 70 | 0 | 0 | 0 | 0 | 113.1 | D103 L107 | D103-T105 PolarHBondContact O-N 2.88Å; D103-T105 WeakPolarHBondContact OD1-CB 3.48Å; D103-T105 WeakPolarHBondContact OD1-CG2 3.23Å; D103-T105 PolarHBondContact OD1-N 3.45Å; D103-T105 PolarHBondContact OD1-OG1 3.41Å; D103-T105 PolarHBondContact OD2-OG1 3.11Å; D103-T105 VanDerWaalsContact OD2-OG1 3.1Å; T105-L107 VanDerWaalsContact C-N 3.26Å; T105-L107 PolarHBondContact O-N 3.06Å |
| 106 | K | 89.8 | Confident | 93.1 | Very high | 146 Ų | 146 | 69.3 Ų | 69.3 | 64% | 0.635 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -75.4 | -12.1 | 175.5 | -61.6 | 174.7 | -177.3 | 169.1 | 0 | 113.3 | F102 D103 I104 | F102-K106 HydrophobicContact CZ-CB 4.38Å; D103-K106 HydrophobicContact CB-CD 4.11Å; D103-K106 HydrophobicContact CB-CG 4.34Å; D103-K106 WeakPolarHBondContact O-CB 3.35Å; D103-K106 PolarHBondContact O-N 2.98Å; I104-K106 PolarHBondContact O-N 3.38Å |
| 107 | L | 92.5 | Very high | 93.2 | Very high | 12 Ų | 12 | 66.3 Ų | 66.3 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -86.4 | 139.4 | 175.2 | -66.7 | 172.5 | 0 | 0 | 0 | 110.8 | F15 F102 I104 T105 K113 M129 L131 | F15-L107 HydrophobicContact CD2-CD1 4.23Å; F15-L107 HydrophobicContact CE2-CD1 3.62Å; F102-L107 HydrophobicContact CE1-CD1 3.83Å; F102-L107 HydrophobicContact CE1-CD2 4.27Å; F102-L107 HydrophobicContact CE1-CG 3.74Å; F102-L107 HydrophobicContact CZ-CD1 4.43Å; F102-L107 HydrophobicContact CZ-CD2 4.04Å; F102-L107 HydrophobicContact CZ-CG 3.95Å; I104-L107 HydrophobicContact CG2-CD1 4.41Å; I104-L107 WeakPolarHBondContact O-CB 3.43Å; I104-L107 PolarHBondContact O-N 2.97Å; T105-L107 VanDerWaalsContact C-N 3.26Å; T105-L107 PolarHBondContact O-N 3.06Å; L107-K113 HydrophobicContact CD2-CB 3.7Å; L107-K113 HydrophobicContact CD2-CD 3.56Å; L107-K113 HydrophobicContact CD2-CG 4.26Å; L107-M129 HydrophobicContact CD1-CB 3.95Å; L107-L131 HydrophobicContact CB-CB 4.43Å |
| 108 | K | 91 | Very high | 93.3 | Very high | 148 Ų | 148 | 72.2 Ų | 72.2 | 64% | 0.643 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -90 | 137 | 169.9 | -65.2 | -176.9 | 179.2 | -178.5 | 0 | 109.4 | G110 Q111 | K108-G110 PolarHBondContact O-N 3.38Å; K108-Q111 HydrophobicContact CB-CB 4.22Å; K108-Q111 WeakPolarHBondContact O-CB 3.47Å; K108-Q111 PolarHBondContact O-N 3.32Å; K108-Q111 VanDerWaalsContact O-N 3.08Å |
| 109 | V | 92.2 | Very high | 93.3 | Very high | 69 Ų | 69 | 71.8 Ų | 71.8 | 42% | 0.418 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 134.2 | 174.7 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | Q111 L131 I133 | V109-Q111 VanDerWaalsContact C-N 3.26Å; V109-Q111 PolarHBondContact O-N 3.24Å; V109-L131 CarbonylContact C-O 3.5Å; V109-L131 WeakPolarHBondContact CA-O 3.46Å; V109-L131 HydrophobicContact CG2-CD2 4.06Å; V109-L131 HydrophobicContact CG2-CG 4.42Å; V109-I133 HydrophobicContact CG1-CD1 3.92Å; V109-I133 HydrophobicContact CG1-CG1 3.81Å |
| 110 | G | 90 | Very high | 92.8 | Very high | 60 Ų | 60 | 71.5 Ų | 71.5 | 62% | 0.619 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -4.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K108 L131 | K108-G110 PolarHBondContact O-N 3.38Å; G110-L131 PolarHBondContact N-O 2.85Å |
| 111 | Q | 91.1 | Very high | 92.1 | Very high | 100 Ų | 100 | 81.1 Ų | 81.1 | 47% | 0.467 | 43% | 0.43 | S | S | . | . | trans | -95.4 | 127.8 | 178.1 | -171.8 | 178.8 | -0.1 | 0 | 0 | 111.2 | K108 V109 | K108-Q111 HydrophobicContact CB-CB 4.22Å; K108-Q111 WeakPolarHBondContact O-CB 3.47Å; K108-Q111 PolarHBondContact O-N 3.32Å; K108-Q111 VanDerWaalsContact O-N 3.08Å; V109-Q111 VanDerWaalsContact C-N 3.26Å; V109-Q111 PolarHBondContact O-N 3.24Å | ||
| 112 | K | 93.8 | Very high | 91.6 | Very high | 121 Ų | 121 | 79.5 Ų | 79.5 | 53% | 0.526 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 131.3 | 167.8 | -154.6 | -178.6 | -153.4 | -154 | 0 | 110 | E128 M129 M130 | K112-E128 HydrophobicContact CD-CG 4.05Å; K112-E128 VanDerWaalsContact CD-OE1 3.27Å; K112-E128 WeakPolarHBondContact CD-OE1 3.31Å; K112-E128 WeakPolarHBondContact CE-OE1 3.37Å; K112-E128 WeakPolarHBondContact CE-OE2 3.24Å; K112-E128 HydrophobicContact CG-CG 3.88Å; K112-E128 IonicContact NZ-OE1 3.03Å; K112-E128 PolarHBondContact NZ-OE1 3.5Å; K112-E128 IonicContact NZ-OE2 2.74Å; K112-E128 PolarHBondContact NZ-OE2 2.81Å; K112-M129 CarbonylContact C-O 3.57Å; K112-M129 WeakPolarHBondContact CA-O 3.27Å; K112-M130 HydrophobicContact CG-CB 4.49Å |
| 113 | K | 95 | Very high | 91.6 | Very high | 68 Ų | 68 | 79.3 Ų | 79.3 | 30% | 0.296 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 126.2 | -179 | -169.2 | -173 | -170.5 | -153 | 0 | 110.6 | L107 E115 E128 M129 | L107-K113 HydrophobicContact CD2-CB 3.7Å; L107-K113 HydrophobicContact CD2-CD 3.56Å; L107-K113 HydrophobicContact CD2-CG 4.26Å; K113-E115 WeakPolarHBondContact CE-OE2 3.43Å; K113-E115 IonicContact NZ-OE1 3.02Å; K113-E115 IonicContact NZ-OE2 3.8Å; K113-E115 PolarHBondContact NZ-OE2 3.34Å; K113-E128 CarbonylContact O-C 3.6Å; K113-E128 WeakPolarHBondContact O-CA 3.27Å; K113-M129 PolarHBondContact N-O 3.08Å; K113-M129 PolarHBondContact O-N 2.8Å |
| 114 | L | 96.2 | Very high | 91.7 | Very high | 100 Ų | 100 | 80.8 Ų | 80.8 | 52% | 0.524 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 117.9 | 167.4 | -177 | 70.7 | 0 | 0 | 0 | 108.9 | H126 L127 E128 | L114-H126 HydrophobicContact CD1-CB 4.4Å; L114-L127 CarbonylContact C-O 3.54Å; L114-L127 WeakPolarHBondContact CA-O 3.45Å; L114-E128 HydrophobicContact CD1-CB 4.27Å |
| 115 | E | 95.9 | Very high | 91.8 | Very high | 51 Ų | 51 | 80.5 Ų | 80.5 | 24% | 0.238 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 142.7 | 177.2 | -163.4 | 71.3 | -170.2 | 0 | 0 | 110.2 | F102 K113 F117 L127 M129 | F102-E115 HydrophobicContact CD2-CG 4.19Å; F102-E115 HydrophobicContact CE2-CG 4.22Å; K113-E115 WeakPolarHBondContact CE-OE2 3.43Å; K113-E115 IonicContact NZ-OE1 3.02Å; K113-E115 IonicContact NZ-OE2 3.8Å; K113-E115 PolarHBondContact NZ-OE2 3.34Å; E115-F117 HydrophobicContact CB-CE2 3.87Å; E115-F117 HydrophobicContact CB-CZ 4.27Å; E115-F117 HydrophobicContact CG-CD2 4.39Å; E115-F117 HydrophobicContact CG-CE1 4.39Å; E115-F117 HydrophobicContact CG-CE2 3.74Å; E115-F117 HydrophobicContact CG-CZ 3.74Å; E115-L127 PolarHBondContact N-O 2.94Å; E115-L127 PolarHBondContact O-N 3.31Å; E115-M129 HydrophobicContact CB-CE 3.42Å; E115-M129 VanDerWaalsContact CB-CE 3.42Å; E115-M129 HydrophobicContact CG-CE 4.05Å |
| 116 | I | 96.6 | Very high | 92.4 | Very high | 82 Ų | 82 | 76.6 Ų | 76.6 | 42% | 0.421 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 113.9 | -179.5 | -52.6 | 176.5 | 0 | 0 | 0 | 108.5 | K124 V125 | I116-K124 HydrophobicContact CG2-CB 4.06Å; I116-K124 HydrophobicContact CG2-CD 4.36Å; I116-K124 HydrophobicContact CG2-CG 4.36Å; I116-V125 WeakPolarHBondContact CA-O 3.23Å |
| 117 | F | 95.5 | Very high | 92.7 | Very high | 16 Ų | 16 | 69.7 Ų | 69.7 | 7% | 0.07 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 133.7 | 176.6 | -62.9 | -88.8 | 0 | 0 | 0 | 109.6 | L84 A100 F102 E115 F119 K124 V125 L127 | L84-F117 HydrophobicContact CD2-CB 3.76Å; L84-F117 HydrophobicContact CD2-CD1 4.07Å; L84-F117 HydrophobicContact CD2-CD2 3.51Å; L84-F117 HydrophobicContact CD2-CE2 4.09Å; L84-F117 HydrophobicContact CD2-CG 3.49Å; L84-F117 VanDerWaalsContact CD2-CG 3.49Å; A100-F117 HydrophobicContact CB-CB 4.38Å; A100-F117 HydrophobicContact CB-CD1 3.67Å; A100-F117 HydrophobicContact CB-CE1 4.41Å; A100-F117 HydrophobicContact CB-CG 4.37Å; F102-F117 HydrophobicContact CB-CE1 3.94Å; F102-F117 HydrophobicContact CB-CZ 3.76Å; F102-F117 HydrophobicContact CD2-CE1 4.49Å; F102-F117 HydrophobicContact CD2-CZ 4.14Å; F102-F117 HydrophobicContact CG-CZ 4.2Å; E115-F117 HydrophobicContact CB-CE2 3.87Å; E115-F117 HydrophobicContact CB-CZ 4.27Å; E115-F117 HydrophobicContact CG-CD2 4.39Å; E115-F117 HydrophobicContact CG-CE1 4.39Å; E115-F117 HydrophobicContact CG-CE2 3.74Å; E115-F117 HydrophobicContact CG-CZ 3.74Å; F117-F119 HydrophobicContact CB-CE2 3.75Å; F117-F119 HydrophobicContact CB-CZ 4.3Å; F117-K124 CarbonylContact O-C 3.56Å; F117-K124 VanDerWaalsContact O-CA 3.3Å; F117-K124 WeakPolarHBondContact O-CA 3.38Å; F117-V125 PolarHBondContact N-O 3.45Å; F117-V125 PolarHBondContact O-N 3.25Å; F117-L127 HydrophobicContact CD2-CB 4.44Å; F117-L127 HydrophobicContact CD2-CD1 4.25Å; F117-L127 HydrophobicContact CD2-CD2 4.42Å; F117-L127 HydrophobicContact CE2-CB 4Å; F117-L127 HydrophobicContact CE2-CD1 4.45Å; F117-L127 HydrophobicContact CE2-CD2 3.89Å; F117-L127 HydrophobicContact CE2-CG 4.34Å |
| 118 | K | 93.8 | Very high | 93 | Very high | 163 Ų | 163 | 71.7 Ų | 71.7 | 71% | 0.709 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.9 | 179 | -65.8 | 179.5 | -178.5 | 175.8 | 0 | 109.4 | T123 K124 | K118-T123 WeakPolarHBondContact CA-O 3.44Å; K118-K124 HydrophobicContact CG-CG 4.44Å |
| 119 | F | 90.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 64.7 Ų | 64.7 | 5% | 0.048 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122 | 175.5 | -62.4 | -93.4 | 0 | 0 | 0 | 108.6 | L84 L86 G98 A100 F117 T123 V125 | L84-F119 HydrophobicContact CD2-CE2 4.01Å; L84-F119 HydrophobicContact CD2-CZ 3.73Å; L84-F119 HydrophobicContact CG-CZ 4.02Å; L86-F119 HydrophobicContact CB-CD1 4.36Å; L86-F119 HydrophobicContact CB-CE1 4.24Å; L86-F119 HydrophobicContact CB-CE2 4.46Å; L86-F119 HydrophobicContact CB-CZ 4.29Å; L86-F119 HydrophobicContact CD2-CD2 4.46Å; L86-F119 HydrophobicContact CD2-CG 4.48Å; G98-F119 VanDerWaalsContact C-CE1 3.41Å; G98-F119 VanDerWaalsContact O-CE1 3.24Å; G98-F119 WeakPolarHBondContact O-CE1 3.48Å; A100-F119 HydrophobicContact CB-CE1 4.02Å; A100-F119 HydrophobicContact CB-CZ 3.88Å; F117-F119 HydrophobicContact CB-CE2 3.75Å; F117-F119 HydrophobicContact CB-CZ 4.3Å; F119-T123 HydrophobicContact CB-CG2 4.34Å; F119-T123 PolarHBondContact N-O 3.49Å; F119-T123 WeakPolarHBondContact O-CB 3.49Å; F119-T123 PolarHBondContact O-N 3.36Å; F119-V125 HydrophobicContact CD2-CB 4.39Å; F119-V125 HydrophobicContact CD2-CG2 3.63Å; F119-V125 HydrophobicContact CE2-CB 3.86Å; F119-V125 HydrophobicContact CE2-CG2 3.41Å; F119-V125 VanDerWaalsContact CE2-CG2 3.41Å; F119-V125 HydrophobicContact CZ-CG2 4.49Å |
| 120 | G | 84.4 | Confident | 93.4 | Very high | 80 Ų | 80 | 63.6 Ų | 63.6 | 83% | 0.825 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | -141.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 121 | K | 79.2 | Confident | 93.6 | Very high | 226 Ų | 226 | 61.1 Ų | 61.1 | 98% | 0.983 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -25.6 | -176.3 | -68.3 | -179 | -179.5 | 175.9 | 0 | 114.4 | ||
| 122 | A | 86 | Confident | 93.7 | Very high | 50 Ų | 50 | 60 Ų | 60 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -42 | -169 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 123 | T | 94.7 | Very high | 93.6 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 133.6 | -169.4 | -46.7 | 0 | 0 | 0 | 0 | 112.4 | E23 S24 V25 L86 K118 F119 | E23-T123 VanDerWaalsContact O-CA 3.32Å; E23-T123 WeakPolarHBondContact O-CA 3.45Å; S24-T123 PolarHBondContact O-OG1 2.89Å; V25-T123 HydrophobicContact CB-CG2 4.36Å; V25-T123 HydrophobicContact CG2-CG2 3.96Å; L86-T123 HydrophobicContact CD2-CG2 3.61Å; K118-T123 WeakPolarHBondContact CA-O 3.44Å; F119-T123 HydrophobicContact CB-CG2 4.34Å; F119-T123 PolarHBondContact N-O 3.49Å; F119-T123 WeakPolarHBondContact O-CB 3.49Å; F119-T123 PolarHBondContact O-N 3.36Å |
| 124 | K | 96.4 | Very high | 93 | Very high | 82 Ų | 82 | 55.7 Ų | 55.7 | 36% | 0.357 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136.9 | 173.6 | -61.8 | 174.4 | -166.1 | 160 | 0 | 110.4 | A22 E23 I116 F117 K118 | A22-K124 CarbonylContact C-O 3.59Å; A22-K124 WeakPolarHBondContact CA-O 3.44Å; A22-K124 WeakPolarHBondContact CB-O 3.24Å; E23-K124 HydrophobicContact CB-CB 4.5Å; E23-K124 PolarHBondContact N-O 2.88Å; E23-K124 PolarHBondContact O-N 3.36Å; I116-K124 HydrophobicContact CG2-CB 4.06Å; I116-K124 HydrophobicContact CG2-CD 4.36Å; I116-K124 HydrophobicContact CG2-CG 4.36Å; F117-K124 CarbonylContact O-C 3.56Å; F117-K124 VanDerWaalsContact O-CA 3.3Å; F117-K124 WeakPolarHBondContact O-CA 3.38Å; K118-K124 HydrophobicContact CG-CG 4.44Å |
| 125 | V | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.6 | 174.1 | -174.2 | 0 | 0 | 0 | 0 | 109 | A22 V41 L84 L86 I116 F117 F119 L127 | A22-V125 HydrophobicContact CB-CG2 3.94Å; V41-V125 HydrophobicContact CG2-CG1 4.18Å; L84-V125 HydrophobicContact CD2-CG1 4.47Å; L86-V125 HydrophobicContact CD1-CG2 4.29Å; L86-V125 HydrophobicContact CD2-CG2 4.25Å; I116-V125 WeakPolarHBondContact CA-O 3.23Å; F117-V125 PolarHBondContact N-O 3.45Å; F117-V125 PolarHBondContact O-N 3.25Å; F119-V125 HydrophobicContact CD2-CB 4.39Å; F119-V125 HydrophobicContact CD2-CG2 3.63Å; F119-V125 HydrophobicContact CE2-CB 3.86Å; F119-V125 HydrophobicContact CE2-CG2 3.41Å; F119-V125 VanDerWaalsContact CE2-CG2 3.41Å; F119-V125 HydrophobicContact CZ-CG2 4.49Å; V125-L127 HydrophobicContact CG1-CD1 3.58Å |
| 126 | H | 97.8 | Very high | 90.8 | Very high | 16 Ų | 16 | 59.8 Ų | 59.8 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117.8 | -177.5 | -66.4 | -102.3 | 0 | 0 | 0 | 110.3 | V20 R21 E23 L114 | V20-H126 HydrophobicContact CB-CB 4.26Å; V20-H126 WeakPolarHBondContact CB-O 3.44Å; V20-H126 PolarHBondContact N-O 2.92Å; R21-H126 HydrophobicContact CG-CB 4.2Å; R21-H126 PolarHBondContact O-N 3.38Å; E23-H126 IonicContact OE1-NE2 2.7Å; E23-H126 IonicContact OE2-NE2 3.28Å; L114-H126 HydrophobicContact CD1-CB 4.4Å |
| 127 | L | 97.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.5 | 174.9 | -90.7 | 64.7 | 0 | 0 | 0 | 109.8 | V17 T18 V19 L43 L82 L84 L114 E115 F117 V125 M129 | V17-L127 HydrophobicContact CG2-CB 4.39Å; V17-L127 HydrophobicContact CG2-CD2 3.71Å; V17-L127 HydrophobicContact CG2-CG 4Å; T18-L127 WeakPolarHBondContact O-CA 3.46Å; V19-L127 HydrophobicContact CG1-CD1 4.39Å; V19-L127 HydrophobicContact CG2-CG 4.48Å; L43-L127 HydrophobicContact CD2-CD2 4.11Å; L82-L127 HydrophobicContact CD2-CD2 3.97Å; L84-L127 HydrophobicContact CD1-CD1 3.99Å; L84-L127 HydrophobicContact CD1-CD2 3.85Å; L84-L127 HydrophobicContact CD2-CD1 4Å; L84-L127 HydrophobicContact CD2-CD2 4.22Å; L114-L127 CarbonylContact C-O 3.54Å; L114-L127 WeakPolarHBondContact CA-O 3.45Å; E115-L127 PolarHBondContact N-O 2.94Å; E115-L127 PolarHBondContact O-N 3.31Å; F117-L127 HydrophobicContact CD2-CB 4.44Å; F117-L127 HydrophobicContact CD2-CD1 4.25Å; F117-L127 HydrophobicContact CD2-CD2 4.42Å; F117-L127 HydrophobicContact CE2-CB 4Å; F117-L127 HydrophobicContact CE2-CD1 4.45Å; F117-L127 HydrophobicContact CE2-CD2 3.89Å; F117-L127 HydrophobicContact CE2-CG 4.34Å; V125-L127 HydrophobicContact CG1-CD1 3.58Å; L127-M129 HydrophobicContact CB-CG 4.44Å |
| 128 | E | 97.6 | Very high | 89.9 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 25% | 0.252 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.2 | 169.3 | -171.6 | 179 | -132.4 | 0 | 0 | 109.2 | V17 T18 V20 K112 K113 L114 | V17-E128 CarbonylContact C-O 3.58Å; V17-E128 WeakPolarHBondContact CA-O 3.35Å; T18-E128 PolarHBondContact N-O 2.93Å; T18-E128 PolarHBondContact O-N 3.27Å; V20-E128 HydrophobicContact CG2-CB 4.12Å; K112-E128 HydrophobicContact CD-CG 4.05Å; K112-E128 VanDerWaalsContact CD-OE1 3.27Å; K112-E128 WeakPolarHBondContact CD-OE1 3.31Å; K112-E128 WeakPolarHBondContact CE-OE1 3.37Å; K112-E128 WeakPolarHBondContact CE-OE2 3.24Å; K112-E128 HydrophobicContact CG-CG 3.88Å; K112-E128 IonicContact NZ-OE1 3.03Å; K112-E128 PolarHBondContact NZ-OE1 3.5Å; K112-E128 IonicContact NZ-OE2 2.74Å; K112-E128 PolarHBondContact NZ-OE2 2.81Å; K113-E128 CarbonylContact O-C 3.6Å; K113-E128 WeakPolarHBondContact O-CA 3.27Å; L114-E128 HydrophobicContact CD1-CB 4.27Å |
| 129 | M | 96.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 142.8 | -170.4 | -67.6 | -178 | -63.9 | 0 | 0 | 111 | F15 T16 V17 L82 F102 L107 K112 K113 E115 L127 | F15-M129 HydrophobicContact CE2-CB 3.91Å; F15-M129 HydrophobicContact CE2-CG 4.07Å; F15-M129 HydrophobicContact CE2-SD 4.18Å; F15-M129 HydrophobicContact CZ-CB 4.26Å; F15-M129 HydrophobicContact CZ-CG 3.89Å; F15-M129 HydrophobicContact CZ-SD 3.77Å; T16-M129 CarbonylContact O-C 3.53Å; T16-M129 WeakPolarHBondContact O-CA 3.43Å; V17-M129 HydrophobicContact CB-CG 4.31Å; V17-M129 HydrophobicContact CG2-CG 3.96Å; L82-M129 HydrophobicContact CD2-SD 4.06Å; F102-M129 HydrophobicContact CD1-CE 3.93Å; F102-M129 HydrophobicContact CD1-SD 3.9Å; F102-M129 HydrophobicContact CD2-CE 4.04Å; F102-M129 HydrophobicContact CE1-CE 3.75Å; F102-M129 HydrophobicContact CE1-SD 4.08Å; F102-M129 HydrophobicContact CE2-CE 3.87Å; F102-M129 HydrophobicContact CG-CE 4.07Å; F102-M129 HydrophobicContact CG-SD 4.31Å; F102-M129 HydrophobicContact CZ-CE 3.72Å; L107-M129 HydrophobicContact CD1-CB 3.95Å; K112-M129 CarbonylContact C-O 3.57Å; K112-M129 WeakPolarHBondContact CA-O 3.27Å; K113-M129 PolarHBondContact N-O 3.08Å; K113-M129 PolarHBondContact O-N 2.8Å; E115-M129 HydrophobicContact CB-CE 3.42Å; E115-M129 VanDerWaalsContact CB-CE 3.42Å; E115-M129 HydrophobicContact CG-CE 4.05Å; L127-M129 HydrophobicContact CB-CG 4.44Å |
| 130 | M | 95.9 | Very high | 90 | Very high | 46 Ų | 46 | 56.3 Ų | 56.3 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 141.2 | 177.3 | -174.6 | 177.6 | 66.1 | 0 | 0 | 109.9 | T16 K112 E132 | T16-M130 PolarHBondContact N-O 3.39Å; T16-M130 PolarHBondContact O-N 2.88Å; K112-M130 HydrophobicContact CG-CB 4.49Å; M130-E132 HydrophobicContact CE-CG 3.84Å; M130-E132 WeakPolarHBondContact CE-OE2 3Å; M130-E132 HydrophobicContact CG-CG 4.23Å; M130-E132 HydrophobicContact SD-CG 4.28Å |
| 131 | L | 94.7 | Very high | 90.2 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.1 | 176.5 | -167.2 | 69.6 | 0 | 0 | 0 | 109.4 | H13 F15 I104 L107 V109 G110 | H13-L131 HydrophobicContact CB-CD1 3.73Å; H13-L131 HydrophobicContact CB-CG 4.22Å; F15-L131 HydrophobicContact CB-CD1 3.89Å; F15-L131 HydrophobicContact CD2-CD1 4.2Å; I104-L131 HydrophobicContact CG2-CD1 4.13Å; L107-L131 HydrophobicContact CB-CB 4.43Å; V109-L131 CarbonylContact C-O 3.5Å; V109-L131 WeakPolarHBondContact CA-O 3.46Å; V109-L131 HydrophobicContact CG2-CD2 4.06Å; V109-L131 HydrophobicContact CG2-CG 4.42Å; G110-L131 PolarHBondContact N-O 2.85Å |
| 132 | E | 93.3 | Very high | 90.6 | Very high | 76 Ų | 76 | 47.2 Ų | 47.2 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 155.4 | 179.8 | -61.7 | 176.5 | 104.2 | 0 | 0 | 110.3 | H13 K14 M130 | H13-E132 CarbonylContact C-O 3.48Å; H13-E132 VanDerWaalsContact CA-O 3.25Å; H13-E132 WeakPolarHBondContact CA-O 3.39Å; K14-E132 HydrophobicContact CB-CB 4.4Å; K14-E132 PolarHBondContact N-O 3.35Å; K14-E132 PolarHBondContact O-N 3.2Å; M130-E132 HydrophobicContact CE-CG 3.84Å; M130-E132 WeakPolarHBondContact CE-OE2 3Å; M130-E132 HydrophobicContact CG-CG 4.23Å; M130-E132 HydrophobicContact SD-CG 4.28Å |
| 133 | I | 89.7 | Confident | 90.6 | Very high | 82 Ų | 82 | 49.1 Ų | 49.1 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 130.7 | 171.3 | -69.2 | 161 | 0 | 0 | 0 | 108.8 | I11 V109 T135 | I11-I133 HydrophobicContact CG2-CG2 3.72Å; V109-I133 HydrophobicContact CG1-CD1 3.92Å; V109-I133 HydrophobicContact CG1-CG1 3.81Å; I133-T135 HydrophobicContact CG2-CG2 4.35Å; I133-T135 PolarHBondContact O-N 2.99Å |
| 134 | C | 83.9 | Confident | 90.4 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 12% | 0.115 | 26% | 0.263 | C | S | . | . | trans | -75.1 | 106.5 | 170.7 | -63.9 | 0 | 0 | 0 | 0 | 109.6 | S12 K14 | S12-C134 WeakPolarHBondContact O-CB 3.25Å; S12-C134 PolarHBondContact O-N 3.2Å; S12-C134 WeakPolarHBondContact OG-CB 3.27Å; S12-C134 PolarHBondContact OG-SG 3.23Å; K14-C134 PolarHBondContact N-SG 3.3Å; K14-C134 VanDerWaalsContact N-SG 3.45Å | ||
| 135 | T | 74.1 | Confident | 90.4 | Very high | 106 Ų | 106 | 47 Ų | 47 | 65% | 0.65 | 25% | 0.249 | S | C | * | . | trans | -90.3 | -25 | 179 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | I133 | I133-T135 HydrophobicContact CG2-CG2 4.35Å; I133-T135 PolarHBondContact O-N 2.99Å | ||
| 136 | N | 71.6 | Confident | 90.3 | Very high | 131 Ų | 131 | 47.6 Ų | 47.6 | 70% | 0.701 | 25% | 0.253 | S | S | * | . | trans | -107.4 | 124.8 | -177.7 | -63.8 | -10.6 | 0 | 0 | 0 | 109.3 | ||||
| 137 | Q | 81.1 | Confident | 90.3 | Very high | 57 Ų | 57 | 52.3 Ų | 52.3 | 27% | 0.266 | 28% | 0.279 | S | S | . | . | trans | -99.1 | 138.1 | 170.6 | -70.7 | 169.5 | -13.7 | 0 | 0 | 108.3 | Q10 F141 | Q10-Q137 PolarHBondContact O-NE2 2.95Å; Q137-F141 HydrophobicContact CB-CE2 4.36Å; Q137-F141 VanDerWaalsContact OE1-CD2 3.23Å | ||
| 138 | D | 91.9 | Very high | 90.3 | Very high | 72 Ų | 72 | 56.8 Ų | 56.8 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -80 | -25.8 | 176.3 | -59.7 | -68.8 | 0 | 0 | 0 | 110.9 | L363 F368 G371 T372 V373 | D138-L363 HydrophobicContact CB-CD1 4.05Å; D138-F368 HydrophobicContact CB-CE1 4.1Å; D138-G371 PolarHBondContact N-O 3.29Å; D138-T372 WeakPolarHBondContact OD2-CA 3.41Å; D138-V373 HydrophobicContact CB-CG2 3.7Å; D138-V373 PolarHBondContact OD2-N 3.13Å |
| 139 | L | 93 | Very high | 90.3 | Very high | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -79.1 | 137.6 | 168.8 | -64.5 | -174.2 | 0 | 0 | 0 | 111.6 | F141 T357 F358 M359 F368 G371 F486 L490 | L139-F141 HydrophobicContact CB-CE1 4.02Å; L139-F141 HydrophobicContact CB-CE2 3.86Å; L139-F141 HydrophobicContact CB-CZ 3.53Å; L139-F141 HydrophobicContact CD1-CE1 4.13Å; L139-F141 HydrophobicContact CD1-CZ 3.88Å; L139-F141 HydrophobicContact CG-CZ 4.33Å; L139-T357 HydrophobicContact CB-CG2 4.22Å; L139-T357 HydrophobicContact CD1-CG2 3.7Å; L139-T357 HydrophobicContact CD2-CG2 4.36Å; L139-T357 HydrophobicContact CG-CG2 4.31Å; L139-F358 WeakPolarHBondContact CA-O 3.33Å; L139-M359 HydrophobicContact CD2-CB 3.77Å; L139-M359 HydrophobicContact CD2-CG 4.49Å; L139-M359 HydrophobicContact CD2-SD 4.34Å; L139-F368 HydrophobicContact CD1-CD1 4.3Å; L139-F368 HydrophobicContact CD2-CD1 3.95Å; L139-F368 HydrophobicContact CD2-CE1 3.41Å; L139-F368 VanDerWaalsContact CD2-CE1 3.41Å; L139-F368 HydrophobicContact CD2-CZ 3.83Å; L139-F368 HydrophobicContact CG-CD1 3.87Å; L139-F368 HydrophobicContact CG-CE1 3.7Å; L139-G371 PolarHBondContact N-O 3.37Å; L139-F486 WeakPolarHBondContact CD1-O 3.36Å; L139-F486 HydrophobicContact CD2-CD2 4.44Å; L139-L490 HydrophobicContact CD1-CD1 4.11Å |
| 140 | R | 92.8 | Very high | 90.3 | Very high | 64 Ų | 64 | 58.5 Ų | 58.5 | 24% | 0.242 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 114.1 | 174.1 | -167.8 | -158.7 | 124.3 | -51 | 4.6 | 109.2 | S142 A144 E349 G356 F358 | R140-S142 VanDerWaalsContact NH1-N 3.16Å; R140-S142 PolarHBondContact NH1-O 3.48Å; R140-S142 VanDerWaalsContact NH2-CB 3.3Å; R140-S142 PolarHBondContact NH2-O 2.7Å; R140-S142 PolarHBondContact NH2-OG 2.97Å; R140-A144 PolarHBondContact NH2-O 2.87Å; R140-E349 IonicContact NE-OE2 2.78Å; R140-G356 VanDerWaalsContact O-O 3.11Å; R140-F358 HydrophobicContact CB-CB 4.33Å; R140-F358 PolarHBondContact N-O 2.88Å; R140-F358 PolarHBondContact O-N 2.94Å |
| 141 | F | 89.8 | Confident | 90.3 | Very high | 64 Ų | 64 | 62.6 Ų | 62.6 | 28% | 0.281 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 98.2 | 177 | -56.6 | -70.1 | 0 | 0 | 0 | 111.7 | V7 Q137 L139 G356 T357 L490 | V7-F141 HydrophobicContact CB-CD1 3.87Å; V7-F141 HydrophobicContact CB-CE1 4.17Å; V7-F141 HydrophobicContact CG1-CD1 3.81Å; V7-F141 HydrophobicContact CG1-CE1 3.64Å; V7-F141 HydrophobicContact CG1-CZ 4.23Å; V7-F141 HydrophobicContact CG2-CD1 3.91Å; V7-F141 HydrophobicContact CG2-CE1 4.13Å; Q137-F141 HydrophobicContact CB-CE2 4.36Å; Q137-F141 VanDerWaalsContact OE1-CD2 3.23Å; L139-F141 HydrophobicContact CB-CE1 4.02Å; L139-F141 HydrophobicContact CB-CE2 3.86Å; L139-F141 HydrophobicContact CB-CZ 3.53Å; L139-F141 HydrophobicContact CD1-CE1 4.13Å; L139-F141 HydrophobicContact CD1-CZ 3.88Å; L139-F141 HydrophobicContact CG-CZ 4.33Å; F141-G356 CarbonylContact C-O 3.54Å; F141-G356 WeakPolarHBondContact CA-O 3.43Å; F141-T357 HydrophobicContact CD1-CG2 3.97Å; F141-T357 HydrophobicContact CE1-CG2 3.59Å; F141-L490 HydrophobicContact CE1-CD1 3.8Å; F141-L490 HydrophobicContact CE1-CD2 4.21Å; F141-L490 HydrophobicContact CZ-CD1 4.06Å; F141-L490 HydrophobicContact CZ-CD2 3.75Å |
| 142 | S | 87.3 | Confident | 90.5 | Very high | 51 Ų | 51 | 62.4 Ų | 62.4 | 36% | 0.357 | 32% | 0.322 | S | S | . | . | trans | -171.8 | 145.1 | 175.1 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | R140 A144 G356 | R140-S142 VanDerWaalsContact NH1-N 3.16Å; R140-S142 PolarHBondContact NH1-O 3.48Å; R140-S142 VanDerWaalsContact NH2-CB 3.3Å; R140-S142 PolarHBondContact NH2-O 2.7Å; R140-S142 PolarHBondContact NH2-OG 2.97Å; S142-A144 VanDerWaalsContact C-N 3.32Å; S142-A144 WeakPolarHBondContact OG-CB 3.47Å; S142-A144 PolarHBondContact OG-N 3.18Å; S142-G356 CarbonylContact C-O 3.57Å; S142-G356 PolarHBondContact N-O 3.01Å; S142-G356 CarbonylContact O-C 3.59Å; S142-G356 WeakPolarHBondContact O-CA 3.01Å | ||
| 143 | L | 86.9 | Confident | 90.7 | Very high | 90 Ų | 90 | 60.9 Ų | 60.9 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -76.1 | -20.3 | 172 | -64 | 172.9 | 0 | 0 | 0 | 112.7 | A353 R556 Q558 | L143-A353 WeakPolarHBondContact CD2-O 3.32Å; L143-R556 PolarHBondContact O-NH2 3.03Å; L143-Q558 VanDerWaalsContact O-CG 3.3Å; L143-Q558 WeakPolarHBondContact O-CG 3.03Å; L143-Q558 PolarHBondContact O-OE1 3.41Å |
| 144 | A | 90.3 | Very high | 90.9 | Very high | 36 Ų | 36 | 62.7 Ų | 62.7 | 30% | 0.298 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -61.9 | 161.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | R140 S142 R556 | R140-A144 PolarHBondContact NH2-O 2.87Å; S142-A144 VanDerWaalsContact C-N 3.32Å; S142-A144 WeakPolarHBondContact OG-CB 3.47Å; S142-A144 PolarHBondContact OG-N 3.18Å; A144-R556 PolarHBondContact O-NH2 2.82Å |
| 145 | L | 94.7 | Very high | 91.4 | Very high | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 152.3 | 167.1 | -55.8 | 179.9 | 0 | 0 | 0 | 110 | E149 K150 R153 Q558 R559 | L145-E149 HydrophobicContact CB-CB 4.3Å; L145-E149 HydrophobicContact CB-CG 4.44Å; L145-E149 HydrophobicContact CD1-CG 4.11Å; L145-K150 HydrophobicContact CB-CG 4.12Å; L145-K150 WeakPolarHBondContact O-CE 3.47Å; L145-K150 PolarHBondContact O-NZ 2.58Å; L145-R153 VanDerWaalsContact CD1-NH1 3.3Å; L145-Q558 WeakPolarHBondContact CD1-O 3.23Å; L145-Q558 HydrophobicContact CD2-CB 3.86Å; L145-Q558 HydrophobicContact CG-CB 3.91Å; L145-R559 HydrophobicContact CD2-CG 3.96Å |
| 146 | C | 96.2 | Very high | 92.5 | Very high | 13 Ų | 13 | 59.5 Ų | 59.5 | 9% | 0.088 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 162.1 | 167.5 | 62.1 | 0 | 0 | 0 | 0 | 111.9 | K148 E149 K150 E349 | C146-K148 VanDerWaalsContact C-N 3.31Å; C146-K148 PolarHBondContact O-N 2.93Å; C146-E149 PolarHBondContact O-N 3.01Å; C146-E149 PolarHBondContact SG-N 3.23Å; C146-E149 VanDerWaalsContact SG-N 3.44Å; C146-K150 WeakPolarHBondContact O-CG 3.34Å; C146-K150 PolarHBondContact O-N 3.26Å; C146-E349 HydrophobicContact CB-CG 4.49Å; C146-E349 VanDerWaalsContact CB-OE2 3.29Å; C146-E349 WeakPolarHBondContact CB-OE2 3.38Å; C146-E349 PolarHBondContact N-OE1 2.84Å |
| 147 | D | 96.9 | Very high | 93.7 | Very high | 116 Ų | 116 | 57.1 Ų | 57.1 | 62% | 0.62 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66 | -34.9 | -176.5 | -62.1 | -30.6 | 0 | 0 | 0 | 112.1 | E149 K150 E151 | D147-E149 PolarHBondContact O-N 3.28Å; D147-K150 PolarHBondContact O-N 3.46Å; D147-K150 IonicContact OD1-NZ 3.84Å; D147-K150 PolarHBondContact OD1-NZ 2.72Å; D147-E151 WeakPolarHBondContact O-CB 3.28Å; D147-E151 PolarHBondContact O-N 2.95Å |
| 148 | K | 97.6 | Very high | 94.3 | Very high | 93 Ų | 93 | 60.2 Ų | 60.2 | 40% | 0.404 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 172.9 | -68.9 | -169.8 | 175.4 | -175.1 | 0 | 112.8 | C146 E151 F152 Y348 | C146-K148 VanDerWaalsContact C-N 3.31Å; C146-K148 PolarHBondContact O-N 2.93Å; K148-E151 PolarHBondContact O-N 3.29Å; K148-F152 VanDerWaalsContact O-CB 3.31Å; K148-F152 WeakPolarHBondContact O-CB 3.42Å; K148-F152 PolarHBondContact O-N 3.28Å; K148-Y348 HydrophobicContact CB-CD1 3.73Å; K148-Y348 HydrophobicContact CB-CD2 3.9Å; K148-Y348 HydrophobicContact CB-CE1 4.08Å; K148-Y348 HydrophobicContact CB-CE2 4.24Å; K148-Y348 HydrophobicContact CB-CG 3.63Å; K148-Y348 HydrophobicContact CD-CD1 3.54Å; K148-Y348 HydrophobicContact CD-CE1 4.11Å; K148-Y348 HydrophobicContact CD-CG 4.09Å; K148-Y348 HydrophobicContact CG-CD1 4.28Å |
| 149 | E | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.6 | -37.8 | 176.2 | -174.2 | 174.3 | 160.8 | 0 | 0 | 111.2 | L145 C146 D147 F152 R153 Y219 L322 Y348 R559 | L145-E149 HydrophobicContact CB-CB 4.3Å; L145-E149 HydrophobicContact CB-CG 4.44Å; L145-E149 HydrophobicContact CD1-CG 4.11Å; C146-E149 PolarHBondContact O-N 3.01Å; C146-E149 PolarHBondContact SG-N 3.23Å; C146-E149 VanDerWaalsContact SG-N 3.44Å; D147-E149 PolarHBondContact O-N 3.28Å; E149-F152 PolarHBondContact O-N 3.2Å; E149-R153 HydrophobicContact CG-CG 4.43Å; E149-R153 WeakPolarHBondContact O-CB 3.41Å; E149-R153 VanDerWaalsContact O-CG 3.23Å; E149-R153 WeakPolarHBondContact O-CG 3.46Å; E149-R153 PolarHBondContact O-N 3.06Å; E149-Y219 VanDerWaalsContact OE1-CE1 3.23Å; E149-Y219 WeakPolarHBondContact OE1-CE1 3.47Å; E149-Y219 PolarHBondContact OE1-OH 3.16Å; E149-L322 HydrophobicContact CG-CD2 3.84Å; E149-Y348 HydrophobicContact CB-CD2 4.19Å; E149-R559 IonicContact OE1-CZ 3.94Å; E149-R559 IonicContact OE1-NE 2.74Å; E149-R559 PolarHBondContact OE1-NE 3.47Å; E149-R559 IonicContact OE1-NH2 2.67Å; E149-R559 IonicContact OE2-CZ 3.61Å; E149-R559 IonicContact OE2-NE 3.65Å; E149-R559 IonicContact OE2-NH2 3.86Å; E149-R559 PolarHBondContact OE2-NH2 3.02Å; E149-R559 VanDerWaalsContact OE2-NH2 3.13Å |
| 150 | K | 96.6 | Very high | 94.7 | Very high | 91 Ų | 91 | 61.4 Ų | 61.4 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 174.6 | -68.1 | 173.3 | -164.1 | 146.9 | 0 | 111.9 | L145 C146 D147 R153 H154 | L145-K150 HydrophobicContact CB-CG 4.12Å; L145-K150 WeakPolarHBondContact O-CE 3.47Å; L145-K150 PolarHBondContact O-NZ 2.58Å; C146-K150 WeakPolarHBondContact O-CG 3.34Å; C146-K150 PolarHBondContact O-N 3.26Å; D147-K150 PolarHBondContact O-N 3.46Å; D147-K150 IonicContact OD1-NZ 3.84Å; D147-K150 PolarHBondContact OD1-NZ 2.72Å; K150-R153 PolarHBondContact O-N 3.18Å; K150-H154 PolarHBondContact O-N 2.61Å |
| 151 | E | 96.8 | Very high | 94.9 | Very high | 133 Ų | 133 | 60 Ų | 60 | 62% | 0.621 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.3 | -50.1 | 177.4 | -176 | 173.4 | -166.8 | 0 | 0 | 110.5 | D147 K148 R153 H154 T155 | D147-E151 WeakPolarHBondContact O-CB 3.28Å; D147-E151 PolarHBondContact O-N 2.95Å; K148-E151 PolarHBondContact O-N 3.29Å; E151-R153 VanDerWaalsContact C-N 3.29Å; E151-R153 PolarHBondContact O-N 3.45Å; E151-H154 WeakPolarHBondContact O-CB 3.13Å; E151-H154 PolarHBondContact O-N 3.24Å; E151-T155 PolarHBondContact O-N 3.27Å; E151-T155 PolarHBondContact O-OG1 3.45Å |
| 152 | F | 97.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -52.1 | -46.7 | 173.9 | 168 | -95 | 0 | 0 | 0 | 112.1 | K148 E149 H154 T155 R156 T218 I315 S320 L322 Y348 | K148-F152 VanDerWaalsContact O-CB 3.31Å; K148-F152 WeakPolarHBondContact O-CB 3.42Å; K148-F152 PolarHBondContact O-N 3.28Å; E149-F152 PolarHBondContact O-N 3.2Å; F152-H154 VanDerWaalsContact C-N 3.31Å; F152-H154 PolarHBondContact O-N 2.76Å; F152-T155 PolarHBondContact O-N 2.9Å; F152-T155 PolarHBondContact O-OG1 3.45Å; F152-T155 VanDerWaalsContact O-OG1 3.06Å; F152-R156 HydrophobicContact CD1-CB 4.49Å; F152-R156 HydrophobicContact CE1-CB 4.09Å; F152-R156 HydrophobicContact CE1-CG 4.13Å; F152-R156 HydrophobicContact CE2-CB 4.17Å; F152-R156 HydrophobicContact CE2-CG 4.33Å; F152-R156 HydrophobicContact CZ-CB 3.92Å; F152-R156 HydrophobicContact CZ-CG 3.76Å; F152-R156 WeakPolarHBondContact O-CA 3.2Å; F152-R156 WeakPolarHBondContact O-CB 3.2Å; F152-R156 PolarHBondContact O-N 3.36Å; F152-T218 HydrophobicContact CE1-CG2 4.28Å; F152-I315 HydrophobicContact CD2-CB 4.47Å; F152-I315 WeakPolarHBondContact CD2-O 3.43Å; F152-I315 HydrophobicContact CE2-CB 4.21Å; F152-S320 WeakPolarHBondContact CE2-O 3.24Å; F152-L322 HydrophobicContact CD1-CB 4.07Å; F152-L322 HydrophobicContact CE1-CB 3.52Å; F152-L322 HydrophobicContact CE2-CB 4.48Å; F152-L322 HydrophobicContact CZ-CB 3.76Å; F152-L322 VanDerWaalsContact CZ-N 3.35Å; F152-Y348 HydrophobicContact CB-CE2 3.9Å; F152-Y348 HydrophobicContact CG-CE2 4.32Å |
| 153 | R | 96.8 | Very high | 95.7 | Very high | 45 Ų | 45 | 60.2 Ų | 60.2 | 17% | 0.17 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -36.5 | 179.1 | -72.7 | 179.5 | 77.9 | -169.3 | 1.6 | 112.3 | L145 E149 K150 E151 R157 T218 Y219 Q558 R559 | L145-R153 VanDerWaalsContact CD1-NH1 3.3Å; E149-R153 HydrophobicContact CG-CG 4.43Å; E149-R153 WeakPolarHBondContact O-CB 3.41Å; E149-R153 VanDerWaalsContact O-CG 3.23Å; E149-R153 WeakPolarHBondContact O-CG 3.46Å; E149-R153 PolarHBondContact O-N 3.06Å; K150-R153 PolarHBondContact O-N 3.18Å; E151-R153 VanDerWaalsContact C-N 3.29Å; E151-R153 PolarHBondContact O-N 3.45Å; R153-R157 VanDerWaalsContact O-CB 3.32Å; R153-R157 WeakPolarHBondContact O-CB 3.43Å; R153-R157 PolarHBondContact O-N 2.95Å; R153-T218 HydrophobicContact CG-CG2 4.5Å; R153-Y219 WeakPolarHBondContact CD-OH 3.33Å; R153-Y219 PolarHBondContact NE-OH 3.4Å; R153-Q558 PolarHBondContact NH1-O 3.47Å; R153-R559 PolarHBondContact NH2-O 2.98Å |
| 154 | H | 94.1 | Very high | 96.2 | Very high | 119 Ų | 119 | 56 Ų | 56 | 55% | 0.551 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.3 | -49.8 | 178 | -178.8 | 68.2 | 0 | 0 | 0 | 110.6 | K150 E151 F152 | K150-H154 PolarHBondContact O-N 2.61Å; E151-H154 WeakPolarHBondContact O-CB 3.13Å; E151-H154 PolarHBondContact O-N 3.24Å; F152-H154 VanDerWaalsContact C-N 3.31Å; F152-H154 PolarHBondContact O-N 2.76Å |
| 155 | T | 94.8 | Very high | 96.5 | Very high | 55 Ų | 55 | 58 Ų | 58 | 34% | 0.337 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -75 | -40.1 | -178.9 | 48.8 | 0 | 0 | 0 | 0 | 113 | E151 F152 R157 E158 S318 | E151-T155 PolarHBondContact O-N 3.27Å; E151-T155 PolarHBondContact O-OG1 3.45Å; F152-T155 PolarHBondContact O-N 2.9Å; F152-T155 PolarHBondContact O-OG1 3.45Å; F152-T155 VanDerWaalsContact O-OG1 3.06Å; T155-R157 VanDerWaalsContact C-N 3.28Å; T155-R157 PolarHBondContact O-N 3.27Å; T155-E158 PolarHBondContact O-N 3.27Å; T155-S318 VanDerWaalsContact CB-OG 3.32Å; T155-S318 WeakPolarHBondContact CB-OG 3.39Å; T155-S318 PolarHBondContact OG1-OG 3.27Å |
| 156 | R | 97.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.5 | -32.5 | 178.3 | -177.4 | 63.6 | -179 | -178.9 | 3 | 112.2 | F152 E158 R159 V160 L214 A217 S318 Q319 | F152-R156 HydrophobicContact CD1-CB 4.49Å; F152-R156 HydrophobicContact CE1-CB 4.09Å; F152-R156 HydrophobicContact CE1-CG 4.13Å; F152-R156 HydrophobicContact CE2-CB 4.17Å; F152-R156 HydrophobicContact CE2-CG 4.33Å; F152-R156 HydrophobicContact CZ-CB 3.92Å; F152-R156 HydrophobicContact CZ-CG 3.76Å; F152-R156 WeakPolarHBondContact O-CA 3.2Å; F152-R156 WeakPolarHBondContact O-CB 3.2Å; F152-R156 PolarHBondContact O-N 3.36Å; R156-E158 VanDerWaalsContact C-N 3.27Å; R156-E158 PolarHBondContact O-N 2.79Å; R156-R159 PolarHBondContact O-N 2.8Å; R156-V160 HydrophobicContact CG-CG2 4.02Å; R156-V160 WeakPolarHBondContact O-CG2 3.37Å; R156-V160 PolarHBondContact O-N 2.74Å; R156-L214 PolarHBondContact NH2-O 3.23Å; R156-A217 PolarHBondContact NE-O 2.83Å; R156-A217 PolarHBondContact NH2-O 3.33Å; R156-S318 VanDerWaalsContact CD-O 3.31Å; R156-S318 WeakPolarHBondContact CD-O 3.3Å; R156-S318 PolarHBondContact NH1-O 2.84Å; R156-Q319 PolarHBondContact NH1-O 2.82Å |
| 157 | R | 96.4 | Very high | 96.7 | Very high | 81 Ų | 81 | 65.2 Ų | 65.2 | 31% | 0.306 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.3 | -39.2 | 179.9 | -177 | -176.5 | -67.4 | 146.6 | 1.9 | 112.9 | R153 T155 R159 V160 M161 P180 V183 | R153-R157 VanDerWaalsContact O-CB 3.32Å; R153-R157 WeakPolarHBondContact O-CB 3.43Å; R153-R157 PolarHBondContact O-N 2.95Å; T155-R157 VanDerWaalsContact C-N 3.28Å; T155-R157 PolarHBondContact O-N 3.27Å; R157-R159 VanDerWaalsContact C-N 3.32Å; R157-R159 PolarHBondContact O-N 3.19Å; R157-V160 PolarHBondContact O-N 3.36Å; R157-M161 WeakPolarHBondContact O-CB 3.5Å; R157-M161 PolarHBondContact O-N 3.35Å; R157-P180 WeakPolarHBondContact CD-O 3.35Å; R157-V183 HydrophobicContact CG-CB 3.99Å; R157-V183 HydrophobicContact CG-CG1 4.11Å; R157-V183 HydrophobicContact CG-CG2 4.27Å |
| 158 | E | 94.1 | Very high | 96.7 | Very high | 122 Ų | 122 | 59.9 Ų | 59.9 | 57% | 0.57 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65 | -39.3 | 177.4 | -63.3 | -173.5 | 162.1 | 0 | 0 | 111.5 | T155 R156 M161 L162 | T155-E158 PolarHBondContact O-N 3.27Å; R156-E158 VanDerWaalsContact C-N 3.27Å; R156-E158 PolarHBondContact O-N 2.79Å; E158-M161 WeakPolarHBondContact O-CB 3.31Å; E158-M161 PolarHBondContact O-N 2.77Å; E158-L162 WeakPolarHBondContact O-CG 3.19Å; E158-L162 PolarHBondContact O-N 3.3Å; E158-L162 VanDerWaalsContact O-N 3.09Å |
| 159 | R | 95.1 | Very high | 96.3 | Very high | 103 Ų | 103 | 60.9 Ų | 60.9 | 39% | 0.389 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.4 | -39.8 | 176.5 | -66.6 | -168.7 | 177.3 | 160.2 | 8.7 | 112.8 | R156 R157 M161 L162 G163 Q317 S318 | R156-R159 PolarHBondContact O-N 2.8Å; R157-R159 VanDerWaalsContact C-N 3.32Å; R157-R159 PolarHBondContact O-N 3.19Å; R159-M161 VanDerWaalsContact C-N 3.28Å; R159-M161 PolarHBondContact O-N 3.09Å; R159-L162 PolarHBondContact O-N 2.85Å; R159-L162 VanDerWaalsContact O-N 3.16Å; R159-G163 PolarHBondContact O-N 3.24Å; R159-Q317 PolarHBondContact NH1-O 3.2Å; R159-Q317 PolarHBondContact NH2-O 3.3Å; R159-S318 VanDerWaalsContact CD-O 3.3Å; R159-S318 WeakPolarHBondContact CD-O 3.28Å; R159-S318 PolarHBondContact NH1-O 2.79Å |
| 160 | V | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 172.7 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | R156 R157 L162 G163 I164 V183 D215 C216 | R156-V160 HydrophobicContact CG-CG2 4.02Å; R156-V160 WeakPolarHBondContact O-CG2 3.37Å; R156-V160 PolarHBondContact O-N 2.74Å; R157-V160 PolarHBondContact O-N 3.36Å; V160-L162 VanDerWaalsContact C-N 3.32Å; V160-L162 PolarHBondContact O-N 3.18Å; V160-G163 PolarHBondContact O-N 2.85Å; V160-I164 HydrophobicContact CG1-CD1 3.75Å; V160-I164 HydrophobicContact CG1-CG1 4.26Å; V160-I164 WeakPolarHBondContact O-CB 3.42Å; V160-I164 VanDerWaalsContact O-CG1 3.28Å; V160-I164 WeakPolarHBondContact O-CG1 3.4Å; V160-I164 PolarHBondContact O-N 3.35Å; V160-V183 HydrophobicContact CB-CG1 3.9Å; V160-V183 HydrophobicContact CG1-CG1 3.44Å; V160-V183 VanDerWaalsContact CG1-CG1 3.44Å; V160-D215 WeakPolarHBondContact CA-O 3.47Å; V160-C216 WeakPolarHBondContact CG1-O 3.04Å |
| 161 | M | 96.8 | Very high | 95.6 | Very high | 35 Ų | 35 | 67.5 Ų | 67.5 | 17% | 0.172 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 174.9 | -169.4 | 178.1 | 57.6 | 0 | 0 | 112 | R157 E158 R159 K165 P177 V183 | R157-M161 WeakPolarHBondContact O-CB 3.5Å; R157-M161 PolarHBondContact O-N 3.35Å; E158-M161 WeakPolarHBondContact O-CB 3.31Å; E158-M161 PolarHBondContact O-N 2.77Å; R159-M161 VanDerWaalsContact C-N 3.28Å; R159-M161 PolarHBondContact O-N 3.09Å; M161-K165 WeakPolarHBondContact O-CB 3.46Å; M161-K165 VanDerWaalsContact O-CG 3.31Å; M161-K165 WeakPolarHBondContact O-CG 3.48Å; M161-K165 PolarHBondContact O-N 2.89Å; M161-P177 HydrophobicContact CG-CB 4.14Å; M161-P177 HydrophobicContact CG-CG 3.74Å; M161-V183 HydrophobicContact CB-CG1 4.44Å; M161-V183 HydrophobicContact CB-CG2 3.69Å; M161-V183 HydrophobicContact CG-CG2 3.82Å; M161-V183 HydrophobicContact SD-CG2 4.22Å |
| 162 | L | 96.1 | Very high | 95.2 | Very high | 112 Ų | 112 | 68.1 Ų | 68.1 | 59% | 0.586 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.4 | -42.9 | 176.8 | -68.2 | 172.7 | 0 | 0 | 0 | 112 | E158 R159 V160 K165 K166 | E158-L162 WeakPolarHBondContact O-CG 3.19Å; E158-L162 PolarHBondContact O-N 3.3Å; E158-L162 VanDerWaalsContact O-N 3.09Å; R159-L162 PolarHBondContact O-N 2.85Å; R159-L162 VanDerWaalsContact O-N 3.16Å; V160-L162 VanDerWaalsContact C-N 3.32Å; V160-L162 PolarHBondContact O-N 3.18Å; L162-K165 PolarHBondContact O-N 3.41Å; L162-K166 WeakPolarHBondContact O-CB 3.39Å; L162-K166 PolarHBondContact O-N 3.12Å |
| 163 | G | 97.6 | Very high | 94.7 | Very high | 7 Ų | 7 | 73.1 Ų | 73.1 | 7% | 0.072 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.3 | -48 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R159 V160 K165 K166 L167 | R159-G163 PolarHBondContact O-N 3.24Å; V160-G163 PolarHBondContact O-N 2.85Å; G163-K165 PolarHBondContact O-N 2.98Å; G163-K166 PolarHBondContact O-N 2.88Å; G163-L167 WeakPolarHBondContact O-CB 3.45Å; G163-L167 PolarHBondContact O-N 2.82Å |
| 164 | I | 98.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 176.5 | -70.7 | 173.3 | 0 | 0 | 0 | 111 | V160 K166 L167 L168 P177 V183 P184 C216 I703 I707 | V160-I164 HydrophobicContact CG1-CD1 3.75Å; V160-I164 HydrophobicContact CG1-CG1 4.26Å; V160-I164 WeakPolarHBondContact O-CB 3.42Å; V160-I164 VanDerWaalsContact O-CG1 3.28Å; V160-I164 WeakPolarHBondContact O-CG1 3.4Å; V160-I164 PolarHBondContact O-N 3.35Å; I164-K166 VanDerWaalsContact C-N 3.28Å; I164-K166 PolarHBondContact O-N 3.1Å; I164-L167 PolarHBondContact O-N 2.87Å; I164-L168 HydrophobicContact CG2-CD1 3.94Å; I164-L168 WeakPolarHBondContact O-CB 3.45Å; I164-L168 PolarHBondContact O-N 2.79Å; I164-P177 HydrophobicContact CB-CG 4.43Å; I164-P177 HydrophobicContact CG2-CG 4Å; I164-V183 HydrophobicContact CD1-CG1 4.36Å; I164-P184 HydrophobicContact CD1-CG 3.85Å; I164-C216 HydrophobicContact CG1-CB 3.93Å; I164-C216 PolarHBondContact N-SG 2.65Å; I164-I703 HydrophobicContact CD1-CG2 4.23Å; I164-I703 HydrophobicContact CG1-CG2 4.25Å; I164-I703 HydrophobicContact CG2-CG2 4.24Å; I164-I707 HydrophobicContact CG2-CD1 3.72Å |
| 165 | K | 96.8 | Very high | 94.2 | Very high | 80 Ų | 80 | 71.1 Ų | 71.1 | 35% | 0.348 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62 | -35.5 | 177.8 | -77.1 | 176.6 | 179.6 | 178.7 | 0 | 112.7 | M161 L162 G163 D169 P177 | M161-K165 WeakPolarHBondContact O-CB 3.46Å; M161-K165 VanDerWaalsContact O-CG 3.31Å; M161-K165 WeakPolarHBondContact O-CG 3.48Å; M161-K165 PolarHBondContact O-N 2.89Å; L162-K165 PolarHBondContact O-N 3.41Å; G163-K165 PolarHBondContact O-N 2.98Å; K165-D169 VanDerWaalsContact O-CA 3.31Å; K165-D169 WeakPolarHBondContact O-CA 3.46Å; K165-D169 PolarHBondContact O-N 3.43Å; K165-P177 WeakPolarHBondContact CE-O 3.07Å; K165-P177 PolarHBondContact NZ-O 3.14Å |
| 166 | K | 97.1 | Very high | 94.2 | Very high | 154 Ų | 154 | 70.1 Ų | 70.1 | 67% | 0.67 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -73.7 | -40.8 | 176 | -174.1 | -176.8 | 175.7 | -169.5 | 0 | 111.8 | L162 G163 I164 L168 | L162-K166 WeakPolarHBondContact O-CB 3.39Å; L162-K166 PolarHBondContact O-N 3.12Å; G163-K166 PolarHBondContact O-N 2.88Å; I164-K166 VanDerWaalsContact C-N 3.28Å; I164-K166 PolarHBondContact O-N 3.1Å; K166-L168 VanDerWaalsContact C-N 3.32Å |
| 167 | L | 97.6 | Very high | 94 | Very high | 18 Ų | 18 | 70 Ų | 70 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.6 | -31.8 | -179.6 | -178.1 | 66.4 | 0 | 0 | 0 | 112.6 | G163 I164 S211 V213 K700 I703 | G163-L167 WeakPolarHBondContact O-CB 3.45Å; G163-L167 PolarHBondContact O-N 2.82Å; I164-L167 PolarHBondContact O-N 2.87Å; L167-S211 VanDerWaalsContact CD1-O 3.31Å; L167-S211 WeakPolarHBondContact CD1-O 3.37Å; L167-V213 HydrophobicContact CD1-CG2 4.19Å; L167-V213 HydrophobicContact CD2-CG2 3.96Å; L167-K700 HydrophobicContact CD2-CG 4.35Å; L167-K700 HydrophobicContact CG-CG 4.23Å; L167-I703 HydrophobicContact CD2-CD1 3.99Å |
| 168 | L | 96.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 28.1 | -176.1 | -56.2 | -178.2 | 0 | 0 | 0 | 112.3 | I164 K166 M170 E171 L176 K700 I703 K704 I707 | I164-L168 HydrophobicContact CG2-CD1 3.94Å; I164-L168 WeakPolarHBondContact O-CB 3.45Å; I164-L168 PolarHBondContact O-N 2.79Å; K166-L168 VanDerWaalsContact C-N 3.32Å; L168-M170 PolarHBondContact O-N 3.46Å; L168-E171 HydrophobicContact CB-CB 4.2Å; L168-E171 HydrophobicContact CB-CG 4.06Å; L168-E171 HydrophobicContact CD2-CG 4.38Å; L168-E171 VanDerWaalsContact O-CB 3.29Å; L168-E171 WeakPolarHBondContact O-CB 3.49Å; L168-E171 PolarHBondContact O-N 3.47Å; L168-L176 HydrophobicContact CB-CD2 3.65Å; L168-L176 HydrophobicContact CD1-CD2 4.47Å; L168-K700 HydrophobicContact CD2-CB 3.72Å; L168-K700 HydrophobicContact CD2-CD 4.05Å; L168-K700 HydrophobicContact CD2-CG 3.7Å; L168-I703 HydrophobicContact CD1-CG2 4.1Å; L168-K704 HydrophobicContact CD1-CG 3.79Å; L168-K704 HydrophobicContact CD2-CG 4.41Å; L168-I707 HydrophobicContact CD1-CD1 4.34Å |
| 169 | D | 89.8 | Confident | 93.5 | Very high | 114 Ų | 114 | 65.8 Ų | 65.8 | 61% | 0.61 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.3 | -172 | 66.1 | -20 | 0 | 0 | 0 | 114.6 | K165 E171 | K165-D169 VanDerWaalsContact O-CA 3.31Å; K165-D169 WeakPolarHBondContact O-CA 3.46Å; K165-D169 PolarHBondContact O-N 3.43Å; D169-E171 VanDerWaalsContact C-N 3.34Å |
| 170 | M | 87.9 | Confident | 93.2 | Very high | 175 Ų | 175 | 64.2 Ų | 64.2 | 86% | 0.862 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -4.3 | 176.4 | -61.4 | -164.2 | -64.5 | 0 | 0 | 114.3 | L168 | L168-M170 PolarHBondContact O-N 3.46Š|
| 171 | E | 92.4 | Very high | 92.7 | Very high | 56 Ų | 56 | 68 Ų | 68 | 26% | 0.262 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -84.6 | 160.9 | -176 | -69.8 | -73.1 | 178.4 | 0 | 0 | 113.2 | L168 D169 F175 K704 | L168-E171 HydrophobicContact CB-CB 4.2Å; L168-E171 HydrophobicContact CB-CG 4.06Å; L168-E171 HydrophobicContact CD2-CG 4.38Å; L168-E171 VanDerWaalsContact O-CB 3.29Å; L168-E171 WeakPolarHBondContact O-CB 3.49Å; L168-E171 PolarHBondContact O-N 3.47Å; D169-E171 VanDerWaalsContact C-N 3.34Å; E171-F175 HydrophobicContact CB-CB 4.34Å; E171-K704 VanDerWaalsContact CD-NZ 3.26Å; E171-K704 HydrophobicContact CG-CD 3.99Å; E171-K704 IonicContact OE1-NZ 3.47Å; E171-K704 PolarHBondContact OE1-NZ 3.21Å; E171-K704 IonicContact OE2-NZ 3.15Å; E171-K704 PolarHBondContact OE2-NZ 3.46Å |
| 172 | K | 88.6 | Confident | 92.5 | Very high | 145 Ų | 145 | 67.3 Ų | 67.3 | 63% | 0.63 | 36% | 0.356 | S | S | * | . | trans | -63.7 | 147.7 | 177.7 | -65.5 | 177.3 | -177.3 | 173.2 | 0 | 111.1 | C174 F175 | K172-C174 PolarHBondContact O-N 2.92Å; K172-F175 HydrophobicContact CB-CD2 4Å; K172-F175 HydrophobicContact CB-CE2 4.34Å; K172-F175 WeakPolarHBondContact O-CB 3.18Å; K172-F175 PolarHBondContact O-N 3.43Å | ||
| 173 | P | 87.9 | Confident | 92.5 | Very high | 109 Ų | 109 | 62.1 Ų | 62.1 | 71% | 0.708 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -55.8 | -25.5 | 178.9 | -27.6 | 34.8 | 0 | 0 | 0 | 115.1 | F175 L176 K711 | P173-F175 PolarHBondContact O-N 3.07Å; P173-L176 PolarHBondContact O-N 3.46Å; P173-K711 PolarHBondContact O-NZ 3.04Å |
| 174 | C | 87.8 | Confident | 92.4 | Very high | 65 Ų | 65 | 61.9 Ų | 61.9 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -62 | -27.3 | 175.1 | 60 | 0 | 0 | 0 | 0 | 112.8 | K172 K711 | K172-C174 PolarHBondContact O-N 2.92Å; C174-K711 PolarHBondContact O-NZ 3.32Å |
| 175 | F | 92.4 | Very high | 92.4 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 25% | 0.254 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -92.2 | 1.9 | 178.6 | -60.9 | -54.1 | 0 | 0 | 0 | 114.3 | E171 K172 P173 K704 I707 V708 | E171-F175 HydrophobicContact CB-CB 4.34Å; K172-F175 HydrophobicContact CB-CD2 4Å; K172-F175 HydrophobicContact CB-CE2 4.34Å; K172-F175 WeakPolarHBondContact O-CB 3.18Å; K172-F175 PolarHBondContact O-N 3.43Å; P173-F175 PolarHBondContact O-N 3.07Å; F175-K704 HydrophobicContact CB-CB 4.32Å; F175-K704 HydrophobicContact CB-CD 3.83Å; F175-K704 HydrophobicContact CB-CG 3.88Å; F175-K704 HydrophobicContact CD1-CB 3.88Å; F175-K704 HydrophobicContact CD1-CD 4.13Å; F175-K704 HydrophobicContact CD1-CG 4.26Å; F175-K704 HydrophobicContact CD2-CD 4.05Å; F175-K704 HydrophobicContact CG-CB 4.27Å; F175-K704 HydrophobicContact CG-CD 3.76Å; F175-K704 HydrophobicContact CG-CG 4.14Å; F175-I707 WeakPolarHBondContact O-CD1 3.27Å; F175-V708 HydrophobicContact CD1-CG2 3.76Å; F175-V708 HydrophobicContact CE1-CG2 3.89Å |
| 176 | L | 93.6 | Very high | 92.5 | Very high | 33 Ų | 33 | 58.6 Ų | 58.6 | 17% | 0.173 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -108.5 | 140.4 | 179.4 | -61.8 | 179.2 | 0 | 0 | 0 | 111.1 | L168 P173 S178 K711 | L168-L176 HydrophobicContact CB-CD2 3.65Å; L168-L176 HydrophobicContact CD1-CD2 4.47Å; P173-L176 PolarHBondContact O-N 3.46Å; L176-S178 PolarHBondContact O-N 3.48Å; L176-K711 WeakPolarHBondContact O-CE 3.36Å; L176-K711 PolarHBondContact O-NZ 2.99Å |
| 177 | P | 92.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | trans | -70.6 | 126.3 | 174.2 | 29 | -33.3 | 0 | 0 | 0 | 110.4 | M161 I164 K165 E182 V183 | M161-P177 HydrophobicContact CG-CB 4.14Å; M161-P177 HydrophobicContact CG-CG 3.74Å; I164-P177 HydrophobicContact CB-CG 4.43Å; I164-P177 HydrophobicContact CG2-CG 4Å; K165-P177 WeakPolarHBondContact CE-O 3.07Å; K165-P177 PolarHBondContact NZ-O 3.14Å; P177-E182 HydrophobicContact CB-CB 4.15Å; P177-V183 HydrophobicContact CB-CG2 3.86Å; P177-V183 HydrophobicContact CG-CG2 4.34Å | ||
| 178 | S | 90.3 | Very high | 92.6 | Very high | 90 Ų | 90 | 50.4 Ų | 50.4 | 63% | 0.629 | 28% | 0.276 | S | S | * | . | trans | -100.2 | -24.6 | 175.8 | 69.8 | 0 | 0 | 0 | 0 | 112.6 | L176 E182 | L176-S178 PolarHBondContact O-N 3.48Å; S178-E182 PolarHBondContact N-OE2 3.13Å; S178-E182 PolarHBondContact OG-OE1 3.29Å; S178-E182 VanDerWaalsContact OG-OE1 3.13Å; S178-E182 PolarHBondContact OG-OE2 3.28Å | ||
| 179 | A | 90 | Very high | 92.8 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 19% | 0.19 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -133.1 | 155.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | H181 E182 | A179-H181 VanDerWaalsContact C-N 3.28Å; A179-H181 VanDerWaalsContact CB-CE1 3.45Å; A179-H181 WeakPolarHBondContact CB-CE1 3.08Å; A179-H181 PolarHBondContact O-N 3.01Å; A179-E182 HydrophobicContact CB-CG 4.34Å; A179-E182 PolarHBondContact N-OE2 3.09Å; A179-E182 WeakPolarHBondContact O-CB 3.49Å; A179-E182 PolarHBondContact O-N 2.63Å |
| 180 | P | 88.4 | Confident | 93.2 | Very high | 71 Ų | 71 | 44.8 Ų | 44.8 | 46% | 0.461 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -56.7 | -34.9 | -176.9 | -28.3 | 35.4 | 0 | 0 | 0 | 115 | R157 E182 V183 | R157-P180 WeakPolarHBondContact CD-O 3.35Å; P180-E182 PolarHBondContact O-N 2.88Å; P180-V183 WeakPolarHBondContact O-CB 3.37Å; P180-V183 WeakPolarHBondContact O-CG2 3.43Å; P180-V183 PolarHBondContact O-N 2.74Å |
| 181 | H | 87.6 | Confident | 93.7 | Very high | 80 Ų | 80 | 36.5 Ų | 36.5 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -70.3 | -15.9 | -179.5 | 66.8 | -86.9 | 0 | 0 | 0 | 113.5 | A179 V183 | A179-H181 VanDerWaalsContact C-N 3.28Å; A179-H181 VanDerWaalsContact CB-CE1 3.45Å; A179-H181 WeakPolarHBondContact CB-CE1 3.08Å; A179-H181 PolarHBondContact O-N 3.01Å; H181-V183 VanDerWaalsContact C-N 3.35Å |
| 182 | E | 92.9 | Very high | 93.8 | Very high | 19 Ų | 19 | 33.8 Ų | 33.8 | 9% | 0.089 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -83.4 | -12.5 | 177.4 | -56.4 | 176.8 | 170.2 | 0 | 0 | 112.4 | P177 S178 A179 P180 P184 K711 | P177-E182 HydrophobicContact CB-CB 4.15Å; S178-E182 PolarHBondContact N-OE2 3.13Å; S178-E182 PolarHBondContact OG-OE1 3.29Å; S178-E182 VanDerWaalsContact OG-OE1 3.13Å; S178-E182 PolarHBondContact OG-OE2 3.28Å; A179-E182 HydrophobicContact CB-CG 4.34Å; A179-E182 PolarHBondContact N-OE2 3.09Å; A179-E182 WeakPolarHBondContact O-CB 3.49Å; A179-E182 PolarHBondContact O-N 2.63Å; P180-E182 PolarHBondContact O-N 2.88Å; E182-P184 VanDerWaalsContact O-CD 3.24Å; E182-P184 WeakPolarHBondContact O-CD 3.49Å; E182-K711 HydrophobicContact CB-CG 4.48Å; E182-K711 HydrophobicContact CG-CG 3.96Å; E182-K711 WeakPolarHBondContact OE2-CE 3.09Å |
| 183 | V | 95.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.024 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -80.5 | 105.3 | -172.5 | -179.3 | 0 | 0 | 0 | 0 | 111 | R157 V160 M161 I164 P177 P180 H181 R710 | R157-V183 HydrophobicContact CG-CB 3.99Å; R157-V183 HydrophobicContact CG-CG1 4.11Å; R157-V183 HydrophobicContact CG-CG2 4.27Å; V160-V183 HydrophobicContact CB-CG1 3.9Å; V160-V183 HydrophobicContact CG1-CG1 3.44Å; V160-V183 VanDerWaalsContact CG1-CG1 3.44Å; M161-V183 HydrophobicContact CB-CG1 4.44Å; M161-V183 HydrophobicContact CB-CG2 3.69Å; M161-V183 HydrophobicContact CG-CG2 3.82Å; M161-V183 HydrophobicContact SD-CG2 4.22Å; I164-V183 HydrophobicContact CD1-CG1 4.36Å; P177-V183 HydrophobicContact CB-CG2 3.86Å; P177-V183 HydrophobicContact CG-CG2 4.34Å; P180-V183 WeakPolarHBondContact O-CB 3.37Å; P180-V183 WeakPolarHBondContact O-CG2 3.43Å; P180-V183 PolarHBondContact O-N 2.74Å; H181-V183 VanDerWaalsContact C-N 3.35Å; V183-R710 PolarHBondContact O-NH1 2.92Å |
| 184 | P | 96.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | trans | -60.1 | 147.4 | -176 | 27.5 | -36.1 | 0 | 0 | 0 | 112.8 | I164 E182 I186 D562 C706 I707 | I164-P184 HydrophobicContact CD1-CG 3.85Å; E182-P184 VanDerWaalsContact O-CD 3.24Å; E182-P184 WeakPolarHBondContact O-CD 3.49Å; P184-I186 HydrophobicContact CB-CG1 4.3Å; P184-I186 HydrophobicContact CG-CD1 4.23Å; P184-I186 HydrophobicContact CG-CG1 4.27Å; P184-D562 WeakPolarHBondContact CA-OD2 3.45Å; P184-D562 HydrophobicContact CB-CB 4.49Å; P184-C706 HydrophobicContact CB-CB 3.87Å; P184-C706 HydrophobicContact CG-CB 4.31Å; P184-I707 HydrophobicContact CG-CG1 4.08Å | ||
| 185 | V | 98 | Very high | 94.8 | Very high | 10 Ų | 10 | 18.9 Ų | 18.9 | 6% | 0.061 | 11% | 0.111 | C | C | . | . | trans | -87.3 | 107.9 | 169.5 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | T218 Y219 V561 D562 L563 | V185-T218 HydrophobicContact CG1-CG2 4.28Å; V185-Y219 HydrophobicContact CG1-CD2 4Å; V185-Y219 HydrophobicContact CG1-CE2 3.71Å; V185-V561 HydrophobicContact CG1-CB 4.44Å; V185-V561 HydrophobicContact CG1-CG2 4.03Å; V185-D562 PolarHBondContact N-OD2 2.94Å; V185-D562 PolarHBondContact O-N 2.85Å; V185-L563 PolarHBondContact O-N 3.19Å | ||
| 186 | I | 98.8 | Very high | 95 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.7 | -178.3 | -55.1 | 171.9 | 0 | 0 | 0 | 109 | P184 C216 T218 Y219 L563 I565 I703 | P184-I186 HydrophobicContact CB-CG1 4.3Å; P184-I186 HydrophobicContact CG-CD1 4.23Å; P184-I186 HydrophobicContact CG-CG1 4.27Å; I186-C216 HydrophobicContact CD1-CB 4.02Å; I186-T218 PolarHBondContact O-N 3.43Å; I186-Y219 PolarHBondContact O-N 3.13Å; I186-L563 WeakPolarHBondContact CA-O 3.05Å; I186-L563 HydrophobicContact CD1-CD2 4.4Å; I186-L563 HydrophobicContact CG1-CB 4.22Å; I186-L563 HydrophobicContact CG1-CD2 4.28Å; I186-L563 HydrophobicContact CG2-CB 4.46Å; I186-L563 HydrophobicContact CG2-CD2 4.24Å; I186-L563 HydrophobicContact CG2-CG 4.35Å; I186-I565 HydrophobicContact CG2-CD1 4Å; I186-I565 HydrophobicContact CG2-CG1 4.31Å; I186-I703 HydrophobicContact CD1-CD1 3.82Å; I186-I703 HydrophobicContact CD1-CG1 3.72Å |
| 187 | A | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y219 I554 V561 L563 I564 I565 | A187-Y219 WeakPolarHBondContact CA-O 3.43Å; A187-I554 HydrophobicContact CB-CB 4.2Å; A187-I554 HydrophobicContact CB-CD1 4.42Å; A187-I554 HydrophobicContact CB-CG2 3.79Å; A187-V561 HydrophobicContact CB-CG1 3.73Å; A187-V561 HydrophobicContact CB-CG2 4.24Å; A187-L563 PolarHBondContact N-O 3.42Å; A187-I564 WeakPolarHBondContact O-CA 3.17Å; A187-I565 PolarHBondContact O-N 3.31Å |
| 188 | I | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134.8 | 169.5 | -64 | 155.3 | 0 | 0 | 0 | 107.6 | F201 L208 L214 A217 Y219 V220 A221 I565 F567 | I188-F201 HydrophobicContact CG2-CE2 3.97Å; I188-F201 HydrophobicContact CG2-CZ 3.96Å; I188-L208 HydrophobicContact CD1-CD1 3.68Å; I188-L208 HydrophobicContact CG1-CD1 4.01Å; I188-L208 HydrophobicContact CG2-CD1 4.03Å; I188-L214 HydrophobicContact CD1-CD1 3.5Å; I188-A217 HydrophobicContact CD1-CB 3.58Å; I188-A217 HydrophobicContact CG1-CB 4.19Å; I188-Y219 PolarHBondContact N-O 2.9Å; I188-V220 HydrophobicContact CB-CG2 4.2Å; I188-V220 HydrophobicContact CD1-CG2 4.01Å; I188-V220 CarbonylContact O-C 3.57Å; I188-V220 WeakPolarHBondContact O-CA 3.05Å; I188-A221 PolarHBondContact O-N 2.83Å; I188-I565 CarbonylContact C-O 3.49Å; I188-I565 WeakPolarHBondContact CA-O 3.48Å; I188-F567 HydrophobicContact CG2-CD2 4.16Å; I188-F567 HydrophobicContact CG2-CE2 3.99Å |
| 189 | A | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 122.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A221 P550 I554 I564 I565 S566 F567 | A189-A221 CarbonylContact C-O 3.32Å; A189-A221 WeakPolarHBondContact CA-O 3.19Å; A189-P550 HydrophobicContact CB-CG 4.03Å; A189-I554 HydrophobicContact CB-CD1 3.94Å; A189-I564 HydrophobicContact CB-CG2 4.45Å; A189-I565 PolarHBondContact N-O 3.06Å; A189-S566 CarbonylContact O-C 3.49Å; A189-S566 WeakPolarHBondContact O-CA 3.49Å; A189-F567 PolarHBondContact O-N 3.39Å |
| 190 | G | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 130 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | A221 G222 L223 S226 | G190-A221 PolarHBondContact N-O 3.03Å; G190-G222 WeakPolarHBondContact O-CA 3.46Å; G190-L223 PolarHBondContact O-N 2.94Å; G190-S226 VanDerWaalsContact C-OG 3.26Å; G190-S226 WeakPolarHBondContact CA-OG 3.3Å |
| 191 | S | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.029 | C | C | . | . | trans | -71.4 | 173.6 | 178 | 79.9 | 0 | 0 | 0 | 0 | 113.1 | S226 N548 F567 F569 | S191-S226 VanDerWaalsContact O-CB 3.25Å; S191-S226 WeakPolarHBondContact O-CB 3.49Å; S191-S226 PolarHBondContact O-OG 3.23Å; S191-N548 CarbonylContact C-O 3.46Å; S191-N548 WeakPolarHBondContact CA-O 3.1Å; S191-N548 WeakPolarHBondContact CB-O 3.46Å; S191-F567 PolarHBondContact N-O 3.34Å; S191-F569 WeakPolarHBondContact OG-CA 3.08Å; S191-F569 WeakPolarHBondContact OG-CB 3.04Å; S191-F569 VanDerWaalsContact OG-CD2 3.31Å; S191-F569 WeakPolarHBondContact OG-CD2 3.47Å; S191-F569 PolarHBondContact OG-N 2.58Å | ||
| 192 | G | 95.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.012 | C | C | . | . | trans | -80.1 | -175.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A197 L223 N548 | G192-A197 VanDerWaalsContact C-CB 3.46Å; G192-A197 WeakPolarHBondContact O-CB 3.43Å; G192-L223 WeakPolarHBondContact CA-O 3.41Å; G192-L223 VanDerWaalsContact N-CD1 3.33Å; G192-N548 VanDerWaalsContact C-ND2 3.27Å; G192-N548 WeakPolarHBondContact CA-OD1 3.31Å; G192-N548 PolarHBondContact N-O 3.14Å; G192-N548 VanDerWaalsContact N-O 3.14Å; G192-N548 PolarHBondContact N-OD1 3.2Å; G192-N548 PolarHBondContact O-ND2 2.62Å | ||
| 193 | G | 93 | Very high | 97.7 | Very high | 5 Ų | 5 | 1.1 Ų | 1.1 | 5% | 0.052 | 1% | 0.007 | C | C | . | . | trans | 129.5 | 35.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R196 A197 | G193-R196 WeakPolarHBondContact O-CB 3.12Å; G193-R196 PolarHBondContact O-N 3.09Å; G193-A197 PolarHBondContact O-N 3.31Å; G193-A197 VanDerWaalsContact O-N 3.15Å | ||
| 194 | G | 94.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 0.9 Ų | 0.9 | 0% | 0 | 1% | 0.006 | C | C | . | . | H | α-helix | trans | 57.6 | -142.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R196 A197 M198 G225 F393 | G194-R196 VanDerWaalsContact C-N 3.27Å; G194-R196 PolarHBondContact O-N 3.14Å; G194-A197 PolarHBondContact O-N 2.95Å; G194-M198 PolarHBondContact O-N 3.07Å; G194-M198 VanDerWaalsContact O-N 3.1Å; G194-G225 WeakPolarHBondContact O-CA 3.23Å; G194-F393 VanDerWaalsContact CA-CZ 3.44Å |
| 195 | F | 96.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 0.9 Ų | 0.9 | 0% | 0 | 1% | 0.006 | C | C | . | . | H | α-helix | trans | -66.1 | -26.9 | 178.1 | -84.2 | 14.2 | 0 | 0 | 0 | 113.1 | M198 V199 W228 V255 P259 I295 T298 L299 F674 Y676 | F195-M198 HydrophobicContact CB-CE 4.34Å; F195-M198 HydrophobicContact CD1-CE 3.49Å; F195-M198 VanDerWaalsContact CD1-CE 3.49Å; F195-M198 HydrophobicContact CD1-SD 4.14Å; F195-M198 HydrophobicContact CD2-CE 4.13Å; F195-M198 HydrophobicContact CE1-CE 3.7Å; F195-M198 HydrophobicContact CE1-SD 4.16Å; F195-M198 HydrophobicContact CE2-CE 4.3Å; F195-M198 HydrophobicContact CG-CE 3.73Å; F195-M198 HydrophobicContact CZ-CE 4.11Å; F195-M198 PolarHBondContact O-N 2.77Å; F195-V199 WeakPolarHBondContact O-CB 3.32Å; F195-V199 VanDerWaalsContact O-CG2 3.28Å; F195-V199 WeakPolarHBondContact O-CG2 3.24Å; F195-V199 PolarHBondContact O-N 3.43Å; F195-W228 AromaticContact CD1-CE3 3.81Å; F195-W228 HydrophobicContact CD1-CE3 3.81Å; F195-W228 AromaticContact CD1-CZ3 3.63Å; F195-W228 HydrophobicContact CD1-CZ3 3.63Å; F195-W228 AromaticContact CE1-CE3 3.98Å; F195-W228 HydrophobicContact CE1-CE3 3.98Å; F195-W228 AromaticContact CE1-CZ3 3.96Å; F195-W228 HydrophobicContact CE1-CZ3 3.96Å; F195-V255 HydrophobicContact CD2-CB 4.23Å; F195-V255 HydrophobicContact CD2-CG1 4.1Å; F195-V255 HydrophobicContact CE2-CB 3.94Å; F195-V255 HydrophobicContact CE2-CG1 3.67Å; F195-V255 HydrophobicContact CZ-CG1 4.15Å; F195-P259 HydrophobicContact CE2-CG 4.36Å; F195-P259 HydrophobicContact CZ-CG 4.45Å; F195-I295 HydrophobicContact CE1-CD1 4.37Å; F195-T298 HydrophobicContact CZ-CG2 4.2Å; F195-L299 HydrophobicContact CE1-CD2 4.46Å; F195-L299 HydrophobicContact CZ-CD2 4.28Å; F195-F674 AromaticContact CD1-CD1 3.82Å; F195-F674 HydrophobicContact CD1-CD1 3.82Å; F195-F674 HydrophobicContact CD1-CE1 4.05Å; F195-F674 HydrophobicContact CD2-CB 4.46Å; F195-F674 HydrophobicContact CD2-CD1 4.3Å; F195-F674 WeakPolarHBondContact CD2-O 3.34Å; F195-F674 AromaticContact CE1-CD1 3.64Å; F195-F674 HydrophobicContact CE1-CD1 3.64Å; F195-F674 AromaticContact CE1-CE1 4Å; F195-F674 HydrophobicContact CE1-CE1 4Å; F195-F674 HydrophobicContact CE2-CB 4.32Å; F195-F674 HydrophobicContact CE2-CD1 4.15Å; F195-F674 WeakPolarHBondContact CE2-O 3.42Å; F195-F674 HydrophobicContact CG-CD1 4.15Å; F195-F674 AromaticContact CZ-CD1 3.82Å; F195-F674 HydrophobicContact CZ-CD1 3.82Å; F195-Y676 HydrophobicContact CB-CD1 4.09Å; F195-Y676 HydrophobicContact CB-CE1 3.62Å; F195-Y676 HydrophobicContact CD2-CD1 4.13Å; F195-Y676 HydrophobicContact CD2-CE1 4.44Å |
| 196 | R | 97.8 | Very high | 98 | Very high | 2 Ų | 2 | 2 Ų | 2 | 1% | 0.008 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -59.2 | -50.4 | 173.5 | -179.7 | -178.4 | 62.6 | -101.5 | -0.1 | 110.6 | G193 G194 G200 F569 L633 F669 T671 Y676 L684 | G193-R196 WeakPolarHBondContact O-CB 3.12Å; G193-R196 PolarHBondContact O-N 3.09Å; G194-R196 VanDerWaalsContact C-N 3.27Å; G194-R196 PolarHBondContact O-N 3.14Å; R196-G200 PolarHBondContact O-N 3.28Å; R196-F569 PolarHBondContact NE-O 3.13Å; R196-F569 PolarHBondContact NH2-O 3.36Å; R196-L633 HydrophobicContact CG-CD2 3.77Å; R196-F669 VanDerWaalsContact CD-O 3.29Å; R196-F669 WeakPolarHBondContact CD-O 3.44Å; R196-F669 HydrophobicContact CG-CB 4.41Å; R196-F669 PolarHBondContact NH1-O 3.38Å; R196-T671 PolarHBondContact NH1-OG1 3.4Å; R196-T671 PolarHBondContact NH2-OG1 3.04Å; R196-Y676 WeakPolarHBondContact CA-OH 3.12Å; R196-Y676 PolarHBondContact N-OH 2.95Å; R196-L684 HydrophobicContact CB-CD2 4.27Å; R196-L684 HydrophobicContact CG-CD2 3.85Å; R196-L684 WeakPolarHBondContact O-CD2 3.49Å |
| 197 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -63.9 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G192 G193 G194 V199 F201 F569 | G192-A197 VanDerWaalsContact C-CB 3.46Å; G192-A197 WeakPolarHBondContact O-CB 3.43Å; G193-A197 PolarHBondContact O-N 3.31Å; G193-A197 VanDerWaalsContact O-N 3.15Å; G194-A197 PolarHBondContact O-N 2.95Å; A197-V199 PolarHBondContact O-N 2.88Å; A197-F201 WeakPolarHBondContact O-CB 3.49Å; A197-F201 PolarHBondContact O-N 3.41Å; A197-F569 HydrophobicContact CB-CB 3.83Å; A197-F569 HydrophobicContact CB-CD2 3.8Å; A197-F569 HydrophobicContact CB-CG 4.06Å |
| 198 | M | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -59.8 | -48.8 | 178.6 | -175.6 | -174.4 | 67.6 | 0 | 0 | 112.5 | G194 F195 S202 G225 W228 L251 V255 L299 | G194-M198 PolarHBondContact O-N 3.07Å; G194-M198 VanDerWaalsContact O-N 3.1Å; F195-M198 HydrophobicContact CB-CE 4.34Å; F195-M198 HydrophobicContact CD1-CE 3.49Å; F195-M198 VanDerWaalsContact CD1-CE 3.49Å; F195-M198 HydrophobicContact CD1-SD 4.14Å; F195-M198 HydrophobicContact CD2-CE 4.13Å; F195-M198 HydrophobicContact CE1-CE 3.7Å; F195-M198 HydrophobicContact CE1-SD 4.16Å; F195-M198 HydrophobicContact CE2-CE 4.3Å; F195-M198 HydrophobicContact CG-CE 3.73Å; F195-M198 HydrophobicContact CZ-CE 4.11Å; F195-M198 PolarHBondContact O-N 2.77Å; M198-S202 WeakPolarHBondContact O-CB 3.36Å; M198-S202 PolarHBondContact O-N 2.79Å; M198-G225 WeakPolarHBondContact CB-O 3.49Å; M198-W228 HydrophobicContact CG-CB 4.21Å; M198-W228 HydrophobicContact SD-CB 3.88Å; M198-W228 HydrophobicContact SD-CE3 4.41Å; M198-L251 HydrophobicContact CE-CD1 3.95Å; M198-L251 HydrophobicContact SD-CD1 4.14Å; M198-V255 HydrophobicContact CE-CG1 3.64Å; M198-L299 HydrophobicContact CE-CD2 3.92Å; M198-L299 HydrophobicContact SD-CD1 3.61Å; M198-L299 HydrophobicContact SD-CD2 3.73Å; M198-L299 HydrophobicContact SD-CG 4.35Å |
| 199 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -71.3 | -44.9 | -178.9 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | F195 A197 F201 S202 G203 Y676 F681 L684 H685 | F195-V199 WeakPolarHBondContact O-CB 3.32Å; F195-V199 VanDerWaalsContact O-CG2 3.28Å; F195-V199 WeakPolarHBondContact O-CG2 3.24Å; F195-V199 PolarHBondContact O-N 3.43Å; A197-V199 PolarHBondContact O-N 2.88Å; V199-F201 VanDerWaalsContact C-N 3.35Å; V199-F201 PolarHBondContact O-N 3.5Å; V199-S202 WeakPolarHBondContact O-CB 3.38Å; V199-S202 PolarHBondContact O-N 3.4Å; V199-S202 VanDerWaalsContact O-N 3.13Å; V199-S202 PolarHBondContact O-OG 3.16Å; V199-G203 PolarHBondContact O-N 3.36Å; V199-Y676 HydrophobicContact CG2-CD2 4.21Å; V199-Y676 HydrophobicContact CG2-CE2 4.34Å; V199-F681 HydrophobicContact CB-CD2 4.31Å; V199-F681 HydrophobicContact CB-CE2 4.32Å; V199-F681 HydrophobicContact CG1-CD2 3.69Å; V199-F681 HydrophobicContact CG1-CE2 3.85Å; V199-F681 HydrophobicContact CG1-CG 4.13Å; V199-F681 HydrophobicContact CG1-CZ 4.39Å; V199-F681 HydrophobicContact CG2-CD2 3.62Å; V199-F681 HydrophobicContact CG2-CE2 3.73Å; V199-L684 HydrophobicContact CB-CD2 4.03Å; V199-L684 HydrophobicContact CB-CG 4.48Å; V199-L684 HydrophobicContact CG1-CB 4.07Å; V199-L684 HydrophobicContact CG1-CD2 4.1Å; V199-L684 HydrophobicContact CG1-CG 4.11Å; V199-H685 HydrophobicContact CG1-CB 4.13Å |
| 200 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -57.8 | -47.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R196 S202 G203 V204 M688 | R196-G200 PolarHBondContact O-N 3.28Å; G200-S202 VanDerWaalsContact C-N 3.25Å; G200-S202 PolarHBondContact O-N 3.09Å; G200-G203 PolarHBondContact O-N 3.43Å; G200-V204 WeakPolarHBondContact O-CG2 3.26Å; G200-V204 PolarHBondContact O-N 2.86Å; G200-V204 VanDerWaalsContact O-N 3.08Å; G200-M688 VanDerWaalsContact O-CB 3.31Å; G200-M688 WeakPolarHBondContact O-CB 3.48Å |
| 201 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66.7 | -27.4 | 178.2 | -160.1 | -126.9 | 0 | 0 | 0 | 112.7 | I188 A197 V199 V204 M205 V220 Y229 M230 F567 F569 | I188-F201 HydrophobicContact CG2-CE2 3.97Å; I188-F201 HydrophobicContact CG2-CZ 3.96Å; A197-F201 WeakPolarHBondContact O-CB 3.49Å; A197-F201 PolarHBondContact O-N 3.41Å; V199-F201 VanDerWaalsContact C-N 3.35Å; V199-F201 PolarHBondContact O-N 3.5Å; F201-V204 HydrophobicContact CD2-CB 4.17Å; F201-V204 HydrophobicContact CD2-CG1 4.19Å; F201-V204 HydrophobicContact CE2-CG1 4.23Å; F201-V204 PolarHBondContact O-N 2.93Å; F201-M205 HydrophobicContact CD1-CG 4.15Å; F201-M205 HydrophobicContact CE1-CG 3.97Å; F201-M205 HydrophobicContact CE1-SD 4.25Å; F201-M205 HydrophobicContact CE2-CG 4.37Å; F201-M205 HydrophobicContact CE2-SD 4.47Å; F201-M205 HydrophobicContact CG-CG 4.42Å; F201-M205 HydrophobicContact CZ-CG 4.08Å; F201-M205 HydrophobicContact CZ-SD 3.97Å; F201-M205 WeakPolarHBondContact O-CB 3.31Å; F201-M205 VanDerWaalsContact O-CG 3.24Å; F201-M205 WeakPolarHBondContact O-CG 3.2Å; F201-M205 PolarHBondContact O-N 3.29Å; F201-V220 HydrophobicContact CE1-CG1 4.21Å; F201-V220 HydrophobicContact CZ-CG1 4.01Å; F201-Y229 AromaticContact CD1-CD1 3.77Å; F201-Y229 HydrophobicContact CD1-CD1 3.77Å; F201-Y229 HydrophobicContact CD1-CG 4.45Å; F201-Y229 HydrophobicContact CE1-CD1 4.42Å; F201-M230 HydrophobicContact CD1-CG 4.47Å; F201-M230 HydrophobicContact CE1-CG 3.85Å; F201-M230 HydrophobicContact CE1-SD 4.24Å; F201-F567 HydrophobicContact CE2-CD2 4.33Å; F201-F569 HydrophobicContact CB-CE2 3.72Å; F201-F569 HydrophobicContact CB-CZ 3.83Å; F201-F569 AromaticContact CD2-CE2 3.87Å; F201-F569 HydrophobicContact CD2-CE2 3.87Å; F201-F569 AromaticContact CD2-CZ 3.99Å; F201-F569 HydrophobicContact CD2-CZ 3.99Å; F201-F569 HydrophobicContact CG-CE2 4.17Å; F201-F569 HydrophobicContact CG-CZ 4.41Å |
| 202 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 172.9 | 79.5 | 0 | 0 | 0 | 0 | 112.9 | M198 V199 G200 M205 K206 Y229 N248 H685 | M198-S202 WeakPolarHBondContact O-CB 3.36Å; M198-S202 PolarHBondContact O-N 2.79Å; V199-S202 WeakPolarHBondContact O-CB 3.38Å; V199-S202 PolarHBondContact O-N 3.4Å; V199-S202 VanDerWaalsContact O-N 3.13Å; V199-S202 PolarHBondContact O-OG 3.16Å; G200-S202 VanDerWaalsContact C-N 3.25Å; G200-S202 PolarHBondContact O-N 3.09Å; S202-M205 PolarHBondContact O-N 2.94Å; S202-K206 PolarHBondContact O-N 3.38Å; S202-K206 VanDerWaalsContact O-N 3.08Å; S202-Y229 VanDerWaalsContact CA-CZ 3.5Å; S202-N248 VanDerWaalsContact C-ND2 3.34Å; S202-N248 PolarHBondContact O-ND2 2.69Å; S202-H685 PolarHBondContact OG-CD2 3.09Å |
| 203 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -67.1 | -42.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V199 G200 M205 K206 A207 H685 E689 | V199-G203 PolarHBondContact O-N 3.36Å; G200-G203 PolarHBondContact O-N 3.43Å; G203-M205 PolarHBondContact O-N 3.21Å; G203-K206 WeakPolarHBondContact O-CB 3.27Å; G203-K206 PolarHBondContact O-N 3.13Å; G203-A207 PolarHBondContact O-N 2.8Å; G203-H685 WeakPolarHBondContact CA-O 3.34Å; G203-E689 WeakPolarHBondContact O-CA 3.41Å |
| 204 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -54.4 | -52.1 | 172.2 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | G200 F201 K206 A207 L208 F567 F569 M688 | G200-V204 WeakPolarHBondContact O-CG2 3.26Å; G200-V204 PolarHBondContact O-N 2.86Å; G200-V204 VanDerWaalsContact O-N 3.08Å; F201-V204 HydrophobicContact CD2-CB 4.17Å; F201-V204 HydrophobicContact CD2-CG1 4.19Å; F201-V204 HydrophobicContact CE2-CG1 4.23Å; F201-V204 PolarHBondContact O-N 2.93Å; V204-K206 VanDerWaalsContact C-N 3.28Å; V204-K206 PolarHBondContact O-N 2.98Å; V204-A207 WeakPolarHBondContact O-CB 3.4Å; V204-A207 PolarHBondContact O-N 3.45Å; V204-A207 VanDerWaalsContact O-N 3.14Å; V204-L208 HydrophobicContact CG1-CD1 3.65Å; V204-L208 HydrophobicContact CG1-CG 4.11Å; V204-L208 VanDerWaalsContact O-CG 3.32Å; V204-L208 WeakPolarHBondContact O-CG 3.48Å; V204-L208 PolarHBondContact O-N 3.46Å; V204-F567 HydrophobicContact CB-CD1 4.2Å; V204-F567 HydrophobicContact CB-CE1 4.22Å; V204-F567 HydrophobicContact CG1-CD1 3.67Å; V204-F567 HydrophobicContact CG1-CD2 3.78Å; V204-F567 HydrophobicContact CG1-CE1 3.42Å; V204-F567 VanDerWaalsContact CG1-CE1 3.42Å; V204-F567 HydrophobicContact CG1-CE2 3.54Å; V204-F567 HydrophobicContact CG1-CG 3.84Å; V204-F567 HydrophobicContact CG1-CZ 3.36Å; V204-F567 HydrophobicContact CG2-CB 4.5Å; V204-F567 HydrophobicContact CG2-CD1 3.41Å; V204-F567 VanDerWaalsContact CG2-CD1 3.41Å; V204-F567 HydrophobicContact CG2-CE1 3.72Å; V204-F567 HydrophobicContact CG2-CG 3.98Å; V204-F569 HydrophobicContact CG2-CE1 4.44Å; V204-F569 HydrophobicContact CG2-CZ 4.04Å; V204-M688 HydrophobicContact CG2-CB 4.03Å; V204-M688 HydrophobicContact CG2-CE 3.89Å |
| 205 | M | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.2 | -30.7 | -175.7 | -72.2 | -68.3 | -64 | 0 | 0 | 112.1 | F201 S202 G203 L208 F209 L214 V220 Y229 L233 P244 | F201-M205 HydrophobicContact CD1-CG 4.15Å; F201-M205 HydrophobicContact CE1-CG 3.97Å; F201-M205 HydrophobicContact CE1-SD 4.25Å; F201-M205 HydrophobicContact CE2-CG 4.37Å; F201-M205 HydrophobicContact CE2-SD 4.47Å; F201-M205 HydrophobicContact CG-CG 4.42Å; F201-M205 HydrophobicContact CZ-CG 4.08Å; F201-M205 HydrophobicContact CZ-SD 3.97Å; F201-M205 WeakPolarHBondContact O-CB 3.31Å; F201-M205 VanDerWaalsContact O-CG 3.24Å; F201-M205 WeakPolarHBondContact O-CG 3.2Å; F201-M205 PolarHBondContact O-N 3.29Å; S202-M205 PolarHBondContact O-N 2.94Å; G203-M205 PolarHBondContact O-N 3.21Å; M205-L208 HydrophobicContact SD-CD1 4.36Å; M205-F209 WeakPolarHBondContact O-CB 3.29Å; M205-F209 PolarHBondContact O-N 3.35Å; M205-L214 HydrophobicContact CE-CD1 3.66Å; M205-L214 HydrophobicContact CE-CD2 4Å; M205-L214 HydrophobicContact SD-CD1 4.2Å; M205-V220 HydrophobicContact CE-CG2 4.41Å; M205-Y229 HydrophobicContact CB-CD1 4.45Å; M205-Y229 HydrophobicContact CB-CE1 3.51Å; M205-Y229 HydrophobicContact CG-CD1 4.11Å; M205-Y229 HydrophobicContact CG-CE1 3.59Å; M205-L233 HydrophobicContact CE-CD2 3.89Å; M205-P244 HydrophobicContact CB-CG 4.49Å |
| 206 | K | 98.8 | Very high | 98.5 | Very high | 32 Ų | 32 | 15.4 Ų | 15.4 | 14% | 0.139 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62 | -51.5 | 168.8 | -177.1 | -174.5 | 167.5 | -155.8 | 0 | 111.5 | S202 G203 V204 L208 F209 E210 P244 E689 | S202-K206 PolarHBondContact O-N 3.38Å; S202-K206 VanDerWaalsContact O-N 3.08Å; G203-K206 WeakPolarHBondContact O-CB 3.27Å; G203-K206 PolarHBondContact O-N 3.13Å; V204-K206 VanDerWaalsContact C-N 3.28Å; V204-K206 PolarHBondContact O-N 2.98Å; K206-L208 PolarHBondContact O-N 3.49Å; K206-F209 PolarHBondContact O-N 2.94Å; K206-E210 HydrophobicContact CG-CG 4.48Å; K206-E210 PolarHBondContact O-N 3.26Å; K206-P244 HydrophobicContact CB-CB 3.86Å; K206-P244 HydrophobicContact CG-CB 4.47Å; K206-E689 HydrophobicContact CD-CG 4.47Å; K206-E689 WeakPolarHBondContact CD-OE2 3.43Å; K206-E689 WeakPolarHBondContact CE-OE1 3.15Å; K206-E689 WeakPolarHBondContact CE-OE2 3.12Å; K206-E689 IonicContact NZ-OE1 2.8Å; K206-E689 PolarHBondContact NZ-OE1 2.71Å; K206-E689 IonicContact NZ-OE2 3.76Å; K206-E689 PolarHBondContact NZ-OE2 2.79Å |
| 207 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G203 V204 F209 S211 E689 T692 L693 | G203-A207 PolarHBondContact O-N 2.8Å; V204-A207 WeakPolarHBondContact O-CB 3.4Å; V204-A207 PolarHBondContact O-N 3.45Å; V204-A207 VanDerWaalsContact O-N 3.14Å; A207-F209 PolarHBondContact O-N 2.84Å; A207-S211 WeakPolarHBondContact O-CB 3.5Å; A207-S211 PolarHBondContact O-N 3Å; A207-S211 PolarHBondContact O-OG 2.89Å; A207-E689 HydrophobicContact CB-CG 4.13Å; A207-T692 HydrophobicContact CB-CG2 3.65Å; A207-L693 HydrophobicContact CB-CD2 3.92Å; A207-L693 HydrophobicContact CB-CG 3.76Å |
| 208 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.5 | -35.8 | 179.3 | -63.7 | 177.9 | 0 | 0 | 0 | 112.5 | I188 V204 M205 K206 S211 G212 V213 L214 F567 T692 I699 | I188-L208 HydrophobicContact CD1-CD1 3.68Å; I188-L208 HydrophobicContact CG1-CD1 4.01Å; I188-L208 HydrophobicContact CG2-CD1 4.03Å; V204-L208 HydrophobicContact CG1-CD1 3.65Å; V204-L208 HydrophobicContact CG1-CG 4.11Å; V204-L208 VanDerWaalsContact O-CG 3.32Å; V204-L208 WeakPolarHBondContact O-CG 3.48Å; V204-L208 PolarHBondContact O-N 3.46Å; M205-L208 HydrophobicContact SD-CD1 4.36Å; K206-L208 PolarHBondContact O-N 3.49Å; L208-S211 PolarHBondContact O-OG 2.66Å; L208-G212 PolarHBondContact O-N 2.83Å; L208-V213 HydrophobicContact CB-CB 4.49Å; L208-V213 HydrophobicContact CD2-CB 3.85Å; L208-V213 HydrophobicContact CD2-CG1 3.66Å; L208-V213 HydrophobicContact CD2-CG2 4.49Å; L208-V213 PolarHBondContact O-N 3.31Å; L208-V213 VanDerWaalsContact O-N 3.07Å; L208-L214 HydrophobicContact CB-CB 4.3Å; L208-L214 WeakPolarHBondContact O-CB 3.39Å; L208-L214 PolarHBondContact O-N 3.27Å; L208-F567 HydrophobicContact CD1-CE2 4.04Å; L208-F567 HydrophobicContact CD1-CZ 4.12Å; L208-F567 HydrophobicContact CD2-CZ 4.44Å; L208-T692 HydrophobicContact CD2-CG2 3.71Å; L208-T692 HydrophobicContact CG-CG2 4.08Å; L208-I699 HydrophobicContact CD2-CD1 4.35Å |
| 209 | F | 98.5 | Very high | 98.6 | Very high | 68 Ų | 68 | 15.7 Ų | 15.7 | 30% | 0.298 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -68.9 | -52.1 | 176.8 | -173.8 | -84.1 | 0 | 0 | 0 | 111.4 | M205 K206 A207 S211 G212 L214 F239 P244 | M205-F209 WeakPolarHBondContact O-CB 3.29Å; M205-F209 PolarHBondContact O-N 3.35Å; K206-F209 PolarHBondContact O-N 2.94Å; A207-F209 PolarHBondContact O-N 2.84Å; F209-S211 PolarHBondContact O-N 3.01Å; F209-G212 PolarHBondContact O-N 2.91Å; F209-L214 HydrophobicContact CB-CD2 4.26Å; F209-L214 HydrophobicContact CD2-CD2 3.77Å; F209-F239 HydrophobicContact CE2-CE2 4.47Å; F209-P244 HydrophobicContact CB-CG 3.88Å; F209-P244 HydrophobicContact CD2-CG 4.3Å; F209-P244 VanDerWaalsContact CG-CD 3.44Å; F209-P244 HydrophobicContact CG-CG 4.1Å |
| 210 | E | 97.8 | Very high | 98.6 | Very high | 101 Ų | 101 | 15.7 Ų | 15.7 | 47% | 0.472 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -70 | -31.7 | -176.2 | -67.8 | -174.7 | 174 | 0 | 0 | 112.7 | K206 G212 | K206-E210 HydrophobicContact CG-CG 4.48Å; K206-E210 PolarHBondContact O-N 3.26Å; E210-G212 VanDerWaalsContact C-N 3.3Å; E210-G212 PolarHBondContact O-N 3.31Å |
| 211 | S | 98 | Very high | 98.6 | Very high | 27 Ų | 27 | 15.7 Ų | 15.7 | 19% | 0.189 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -13.5 | 174.5 | 61.6 | 0 | 0 | 0 | 0 | 114.2 | L167 A207 L208 F209 V213 | L167-S211 VanDerWaalsContact CD1-O 3.31Å; L167-S211 WeakPolarHBondContact CD1-O 3.37Å; A207-S211 WeakPolarHBondContact O-CB 3.5Å; A207-S211 PolarHBondContact O-N 3Å; A207-S211 PolarHBondContact O-OG 2.89Å; L208-S211 PolarHBondContact O-OG 2.66Å; F209-S211 PolarHBondContact O-N 3.01Å; S211-V213 VanDerWaalsContact C-N 3.29Å; S211-V213 PolarHBondContact O-N 3.07Å; S211-V213 WeakPolarHBondContact OG-CG2 3.47Å |
| 212 | G | 98.1 | Very high | 98.6 | Very high | 16 Ų | 16 | 15.7 Ų | 15.7 | 17% | 0.165 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 2.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L208 F209 E210 L214 D215 C216 | L208-G212 PolarHBondContact O-N 2.83Å; F209-G212 PolarHBondContact O-N 2.91Å; E210-G212 VanDerWaalsContact C-N 3.3Å; E210-G212 PolarHBondContact O-N 3.31Å; G212-L214 VanDerWaalsContact C-N 3.26Å; G212-L214 PolarHBondContact O-N 3.32Å; G212-D215 PolarHBondContact O-N 3.1Å; G212-C216 PolarHBondContact O-SG 2.62Å |
| 213 | V | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.6 | -34.1 | 174.1 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | L167 L208 S211 D215 C216 A217 I565 L696 I699 | L167-V213 HydrophobicContact CD1-CG2 4.19Å; L167-V213 HydrophobicContact CD2-CG2 3.96Å; L208-V213 HydrophobicContact CB-CB 4.49Å; L208-V213 HydrophobicContact CD2-CB 3.85Å; L208-V213 HydrophobicContact CD2-CG1 3.66Å; L208-V213 HydrophobicContact CD2-CG2 4.49Å; L208-V213 PolarHBondContact O-N 3.31Å; L208-V213 VanDerWaalsContact O-N 3.07Å; S211-V213 VanDerWaalsContact C-N 3.29Å; S211-V213 PolarHBondContact O-N 3.07Å; S211-V213 WeakPolarHBondContact OG-CG2 3.47Å; V213-D215 PolarHBondContact O-N 3.5Å; V213-C216 WeakPolarHBondContact O-CA 3.43Å; V213-C216 VanDerWaalsContact O-CB 3.24Å; V213-C216 WeakPolarHBondContact O-CB 3.42Å; V213-C216 PolarHBondContact O-N 3.41Å; V213-A217 PolarHBondContact O-N 2.98Å; V213-I565 HydrophobicContact CG1-CD1 4.2Å; V213-L696 HydrophobicContact CG2-CD1 3.46Å; V213-L696 VanDerWaalsContact CG2-CD1 3.46Å; V213-I699 HydrophobicContact CG1-CG2 3.94Å; V213-I699 HydrophobicContact CG2-CG2 4.2Å |
| 214 | L | 98.4 | Very high | 98.4 | Very high | 6 Ų | 6 | 15.9 Ų | 15.9 | 3% | 0.031 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.3 | -31.6 | 178.5 | -167.2 | 68.4 | 0 | 0 | 0 | 112.4 | R156 I188 M205 L208 F209 G212 C216 A217 V220 P321 | R156-L214 PolarHBondContact NH2-O 3.23Å; I188-L214 HydrophobicContact CD1-CD1 3.5Å; M205-L214 HydrophobicContact CE-CD1 3.66Å; M205-L214 HydrophobicContact CE-CD2 4Å; M205-L214 HydrophobicContact SD-CD1 4.2Å; L208-L214 HydrophobicContact CB-CB 4.3Å; L208-L214 WeakPolarHBondContact O-CB 3.39Å; L208-L214 PolarHBondContact O-N 3.27Å; F209-L214 HydrophobicContact CB-CD2 4.26Å; F209-L214 HydrophobicContact CD2-CD2 3.77Å; G212-L214 VanDerWaalsContact C-N 3.26Å; G212-L214 PolarHBondContact O-N 3.32Å; L214-C216 PolarHBondContact O-N 3.32Å; L214-A217 WeakPolarHBondContact O-CB 3.4Å; L214-A217 PolarHBondContact O-N 2.91Å; L214-A217 VanDerWaalsContact O-N 3.1Å; L214-V220 HydrophobicContact CD1-CG2 4.1Å; L214-P321 HydrophobicContact CD1-CG 3.84Å; L214-P321 HydrophobicContact CG-CG 4.08Å |
| 215 | D | 98 | Very high | 98.4 | Very high | 69 Ų | 69 | 15.9 Ų | 15.9 | 37% | 0.369 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -67.5 | -23.3 | 173.6 | -70.3 | -31.3 | 0 | 0 | 0 | 112.3 | V160 G212 V213 | V160-D215 WeakPolarHBondContact CA-O 3.47Å; G212-D215 PolarHBondContact O-N 3.1Å; V213-D215 PolarHBondContact O-N 3.5Å |
| 216 | C | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -82.1 | -15.7 | 174.1 | -51.9 | 0 | 0 | 0 | 0 | 112.4 | V160 I164 I186 G212 V213 L214 | V160-C216 WeakPolarHBondContact CG1-O 3.04Å; I164-C216 HydrophobicContact CG1-CB 3.93Å; I164-C216 PolarHBondContact N-SG 2.65Å; I186-C216 HydrophobicContact CD1-CB 4.02Å; G212-C216 PolarHBondContact O-SG 2.62Å; V213-C216 WeakPolarHBondContact O-CA 3.43Å; V213-C216 VanDerWaalsContact O-CB 3.24Å; V213-C216 WeakPolarHBondContact O-CB 3.42Å; V213-C216 PolarHBondContact O-N 3.41Å; L214-C216 PolarHBondContact O-N 3.32Å |
| 217 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -80.9 | 141.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | R156 I188 V213 L214 P321 | R156-A217 PolarHBondContact NE-O 2.83Å; R156-A217 PolarHBondContact NH2-O 3.33Å; I188-A217 HydrophobicContact CD1-CB 3.58Å; I188-A217 HydrophobicContact CG1-CB 4.19Å; V213-A217 PolarHBondContact O-N 2.98Å; L214-A217 WeakPolarHBondContact O-CB 3.4Å; L214-A217 PolarHBondContact O-N 2.91Å; L214-A217 VanDerWaalsContact O-N 3.1Å; A217-P321 HydrophobicContact CB-CB 4.36Å; A217-P321 HydrophobicContact CB-CG 3.85Å | ||
| 218 | T | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 14.3 Ų | 14.3 | 6% | 0.055 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -94 | -39 | 170.7 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | F152 R153 V185 I186 P321 L322 | F152-T218 HydrophobicContact CE1-CG2 4.28Å; R153-T218 HydrophobicContact CG-CG2 4.5Å; V185-T218 HydrophobicContact CG1-CG2 4.28Å; I186-T218 PolarHBondContact O-N 3.43Å; T218-P321 WeakPolarHBondContact O-CA 3.34Å; T218-L322 PolarHBondContact O-N 3.19Å |
| 219 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.2 | -176 | -59.1 | -73.2 | 0 | 0 | 0 | 111.8 | E149 R153 V185 I186 A187 I188 L322 L324 R559 V561 | E149-Y219 VanDerWaalsContact OE1-CE1 3.23Å; E149-Y219 WeakPolarHBondContact OE1-CE1 3.47Å; E149-Y219 PolarHBondContact OE1-OH 3.16Å; R153-Y219 WeakPolarHBondContact CD-OH 3.33Å; R153-Y219 PolarHBondContact NE-OH 3.4Å; V185-Y219 HydrophobicContact CG1-CD2 4Å; V185-Y219 HydrophobicContact CG1-CE2 3.71Å; I186-Y219 PolarHBondContact O-N 3.13Å; A187-Y219 WeakPolarHBondContact CA-O 3.43Å; I188-Y219 PolarHBondContact N-O 2.9Å; Y219-L322 WeakPolarHBondContact CA-O 3.5Å; Y219-L322 HydrophobicContact CD1-CB 3.89Å; Y219-L322 HydrophobicContact CD1-CD2 4.03Å; Y219-L322 HydrophobicContact CD1-CG 4.36Å; Y219-L322 HydrophobicContact CE1-CB 4.23Å; Y219-L322 HydrophobicContact CE1-CD2 3.72Å; Y219-L324 HydrophobicContact CD1-CD1 3.75Å; Y219-L324 HydrophobicContact CD1-CG 4.26Å; Y219-L324 HydrophobicContact CE1-CD1 4.39Å; Y219-L324 HydrophobicContact CG-CD1 4.17Å; Y219-R559 HydrophobicContact CE2-CB 4.04Å; Y219-R559 HydrophobicContact CE2-CG 4.27Å; Y219-V561 HydrophobicContact CD2-CG2 4.24Å; Y219-V561 HydrophobicContact CE2-CG2 4.4Å |
| 220 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 115.9 | 164.3 | 175.1 | 0 | 0 | 0 | 0 | 107 | I188 F201 M205 L214 M230 P321 L322 P323 L324 | I188-V220 HydrophobicContact CB-CG2 4.2Å; I188-V220 HydrophobicContact CD1-CG2 4.01Å; I188-V220 CarbonylContact O-C 3.57Å; I188-V220 WeakPolarHBondContact O-CA 3.05Å; F201-V220 HydrophobicContact CE1-CG1 4.21Å; F201-V220 HydrophobicContact CZ-CG1 4.01Å; M205-V220 HydrophobicContact CE-CG2 4.41Å; L214-V220 HydrophobicContact CD1-CG2 4.1Å; V220-M230 HydrophobicContact CG1-CE 3.97Å; V220-M230 HydrophobicContact CG1-CG 4.21Å; V220-M230 HydrophobicContact CG1-SD 4.03Å; V220-M230 VanDerWaalsContact O-CE 3.22Å; V220-M230 WeakPolarHBondContact O-CE 3.5Å; V220-P321 HydrophobicContact CG2-CB 3.71Å; V220-P321 HydrophobicContact CG2-CG 3.96Å; V220-L322 PolarHBondContact N-O 3.43Å; V220-P323 CarbonylContact O-C 3.59Å; V220-P323 VanDerWaalsContact O-CA 3.32Å; V220-P323 WeakPolarHBondContact O-CA 3.44Å; V220-L324 PolarHBondContact O-N 3.29Å |
| 221 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 141 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I188 A189 G190 L324 P550 L553 I554 | I188-A221 PolarHBondContact O-N 2.83Å; A189-A221 CarbonylContact C-O 3.32Å; A189-A221 WeakPolarHBondContact CA-O 3.19Å; G190-A221 PolarHBondContact N-O 3.03Å; A221-L324 CarbonylContact C-O 3.55Å; A221-L324 VanDerWaalsContact CA-O 3.29Å; A221-L324 WeakPolarHBondContact CA-O 3.23Å; A221-L324 HydrophobicContact CB-CB 4.26Å; A221-P550 HydrophobicContact CB-CB 4.38Å; A221-P550 HydrophobicContact CB-CG 4.14Å; A221-L553 HydrophobicContact CB-CB 4.34Å; A221-L553 HydrophobicContact CB-CD1 4.13Å; A221-I554 HydrophobicContact CB-CG2 3.72Å |
| 222 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 154.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G190 T227 L324 | G190-G222 WeakPolarHBondContact O-CA 3.46Å; G222-T227 VanDerWaalsContact C-CG2 3.5Å; G222-T227 WeakPolarHBondContact O-CG2 3.31Å; G222-L324 PolarHBondContact N-O 2.7Å |
| 223 | L | 97.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 3% | 0.025 | C | C | . | . | trans | -132.2 | 157.2 | 165.4 | 69.8 | 82 | 0 | 0 | 0 | 110.5 | G190 G192 G225 S226 T227 T326 W342 N548 L549 P550 | G190-L223 PolarHBondContact O-N 2.94Å; G192-L223 WeakPolarHBondContact CA-O 3.41Å; G192-L223 VanDerWaalsContact N-CD1 3.33Å; L223-G225 PolarHBondContact O-N 2.78Å; L223-S226 PolarHBondContact O-N 3.11Å; L223-T227 VanDerWaalsContact CA-CG2 3.48Å; L223-T326 HydrophobicContact CB-CG2 3.56Å; L223-T326 HydrophobicContact CD2-CG2 4.45Å; L223-W342 HydrophobicContact CD2-CH2 4.3Å; L223-W342 HydrophobicContact CD2-CZ3 4.28Å; L223-N548 WeakPolarHBondContact CD1-OD1 3.43Å; L223-L549 VanDerWaalsContact CD2-C 3.44Å; L223-P550 HydrophobicContact CB-CB 4.33Å; L223-P550 HydrophobicContact CD2-CB 4.07Å; L223-P550 HydrophobicContact CG-CB 4.38Å | ||
| 224 | S | 96.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 4.6 Ų | 4.6 | 3% | 0.028 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45 | -129.2 | 179.8 | -162.5 | 0 | 0 | 0 | 0 | 112.8 | S226 T227 W389 D542 | S224-S226 VanDerWaalsContact C-N 3.29Å; S224-S226 PolarHBondContact O-N 3.16Å; S224-S226 VanDerWaalsContact O-N 3.09Å; S224-T227 WeakPolarHBondContact O-CA 3.44Å; S224-T227 VanDerWaalsContact O-CB 3.29Å; S224-T227 WeakPolarHBondContact O-CB 3.14Å; S224-T227 PolarHBondContact O-N 2.89Å; S224-T227 PolarHBondContact O-OG1 3.11Å; S224-W389 VanDerWaalsContact CA-O 3.22Å; S224-W389 WeakPolarHBondContact CA-O 3.49Å; S224-W389 PolarHBondContact N-O 3.4Å; S224-D542 WeakPolarHBondContact CB-OD1 3.43Å; S224-D542 VanDerWaalsContact CB-OD2 3.23Å; S224-D542 WeakPolarHBondContact CB-OD2 3.44Å; S224-D542 PolarHBondContact OG-OD2 3.16Å |
| 225 | G | 97.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -49 | -37.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | G194 M198 L223 T227 W228 | G194-G225 WeakPolarHBondContact O-CA 3.23Å; M198-G225 WeakPolarHBondContact CB-O 3.49Å; L223-G225 PolarHBondContact O-N 2.78Å; G225-T227 VanDerWaalsContact C-N 3.26Å; G225-T227 PolarHBondContact O-N 3.34Å; G225-W228 WeakPolarHBondContact O-CB 3.46Å; G225-W228 PolarHBondContact O-N 2.91Å; G225-W228 VanDerWaalsContact O-N 3.15Å |
| 226 | S | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 1.4 Ų | 1.4 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -64.3 | -30.7 | 175.8 | -71.6 | 0 | 0 | 0 | 0 | 112.8 | G190 S191 L223 S224 W228 Y229 M230 | G190-S226 VanDerWaalsContact C-OG 3.26Å; G190-S226 WeakPolarHBondContact CA-OG 3.3Å; S191-S226 VanDerWaalsContact O-CB 3.25Å; S191-S226 WeakPolarHBondContact O-CB 3.49Å; S191-S226 PolarHBondContact O-OG 3.23Å; L223-S226 PolarHBondContact O-N 3.11Å; S224-S226 VanDerWaalsContact C-N 3.29Å; S224-S226 PolarHBondContact O-N 3.16Å; S224-S226 VanDerWaalsContact O-N 3.09Å; S226-W228 VanDerWaalsContact C-N 3.25Å; S226-W228 PolarHBondContact O-N 2.7Å; S226-Y229 PolarHBondContact O-N 3.16Å; S226-M230 WeakPolarHBondContact O-CG 3.29Å; S226-M230 PolarHBondContact O-N 3.37Å |
| 227 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.9 | -30.2 | 175.7 | 69.7 | 0 | 0 | 0 | 0 | 112.3 | G222 L223 S224 G225 M230 S231 F325 W389 | G222-T227 VanDerWaalsContact C-CG2 3.5Å; G222-T227 WeakPolarHBondContact O-CG2 3.31Å; L223-T227 VanDerWaalsContact CA-CG2 3.48Å; S224-T227 WeakPolarHBondContact O-CA 3.44Å; S224-T227 VanDerWaalsContact O-CB 3.29Å; S224-T227 WeakPolarHBondContact O-CB 3.14Å; S224-T227 PolarHBondContact O-N 2.89Å; S224-T227 PolarHBondContact O-OG1 3.11Å; G225-T227 VanDerWaalsContact C-N 3.26Å; G225-T227 PolarHBondContact O-N 3.34Å; T227-M230 PolarHBondContact O-N 3.06Å; T227-S231 VanDerWaalsContact O-CB 3.26Å; T227-S231 WeakPolarHBondContact O-CB 3.22Å; T227-S231 PolarHBondContact O-N 2.8Å; T227-S231 PolarHBondContact O-OG 3.14Å; T227-F325 HydrophobicContact CG2-CB 4.27Å; T227-F325 HydrophobicContact CG2-CD1 3.85Å; T227-W389 HydrophobicContact CG2-CB 4.09Å; T227-W389 HydrophobicContact CG2-CD2 4.32Å; T227-W389 HydrophobicContact CG2-CE3 4.26Å; T227-W389 HydrophobicContact CG2-CG 4.27Å; T227-W389 WeakPolarHBondContact OG1-CB 3.39Å |
| 228 | W | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -68.8 | -40.5 | 177.4 | -57.9 | -21.4 | 0 | 0 | 0 | 111.4 | F195 M198 G225 S226 T232 F291 I295 L299 M386 F393 F674 | F195-W228 AromaticContact CD1-CE3 3.81Å; F195-W228 HydrophobicContact CD1-CE3 3.81Å; F195-W228 AromaticContact CD1-CZ3 3.63Å; F195-W228 HydrophobicContact CD1-CZ3 3.63Å; F195-W228 AromaticContact CE1-CE3 3.98Å; F195-W228 HydrophobicContact CE1-CE3 3.98Å; F195-W228 AromaticContact CE1-CZ3 3.96Å; F195-W228 HydrophobicContact CE1-CZ3 3.96Å; M198-W228 HydrophobicContact CG-CB 4.21Å; M198-W228 HydrophobicContact SD-CB 3.88Å; M198-W228 HydrophobicContact SD-CE3 4.41Å; G225-W228 WeakPolarHBondContact O-CB 3.46Å; G225-W228 PolarHBondContact O-N 2.91Å; G225-W228 VanDerWaalsContact O-N 3.15Å; S226-W228 VanDerWaalsContact C-N 3.25Å; S226-W228 PolarHBondContact O-N 2.7Å; W228-T232 WeakPolarHBondContact O-CB 3.07Å; W228-T232 PolarHBondContact O-N 3.02Å; W228-T232 PolarHBondContact O-OG1 2.86Å; W228-F291 HydrophobicContact CH2-CZ 4.24Å; W228-F291 HydrophobicContact CZ2-CE1 4.03Å; W228-F291 HydrophobicContact CZ2-CZ 4.02Å; W228-I295 HydrophobicContact CD2-CG2 4.43Å; W228-I295 HydrophobicContact CG-CG2 4.31Å; W228-I295 HydrophobicContact CH2-CD1 4.29Å; W228-I295 HydrophobicContact CZ2-CD1 4.3Å; W228-L299 HydrophobicContact CB-CD1 3.74Å; W228-L299 HydrophobicContact CG-CD1 4.34Å; W228-M386 HydrophobicContact CB-CE 4.24Å; W228-M386 HydrophobicContact CG-CE 4.47Å; W228-M386 PolarHBondContact NE1-O 3.34Å; W228-F393 AromaticContact CH2-CD2 3.59Å; W228-F393 HydrophobicContact CH2-CD2 3.59Å; W228-F393 AromaticContact CH2-CE2 3.48Å; W228-F393 HydrophobicContact CH2-CE2 3.48Å; W228-F393 VanDerWaalsContact CH2-CE2 3.48Å; W228-F393 HydrophobicContact CH2-CG 4.5Å; W228-F393 HydrophobicContact CH2-CZ 4.31Å; W228-F393 AromaticContact CZ2-CD2 3.92Å; W228-F393 HydrophobicContact CZ2-CD2 3.92Å; W228-F393 HydrophobicContact CZ2-CE2 4.09Å; W228-F393 HydrophobicContact CZ3-CE2 4.39Å; W228-F674 AromaticContact CH2-CE1 3.65Å; W228-F674 HydrophobicContact CH2-CE1 3.65Å; W228-F674 AromaticContact CH2-CZ 3.94Å; W228-F674 HydrophobicContact CH2-CZ 3.94Å; W228-F674 AromaticContact CZ3-CE1 3.74Å; W228-F674 HydrophobicContact CZ3-CE1 3.74Å; W228-F674 HydrophobicContact CZ3-CZ 4.35Å |
| 229 | Y | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -65.6 | -48.3 | 173.4 | -178.6 | -104.8 | 0 | 0 | 0 | 111.3 | F201 S202 M205 S226 S231 T232 L233 P244 N248 L251 | F201-Y229 AromaticContact CD1-CD1 3.77Å; F201-Y229 HydrophobicContact CD1-CD1 3.77Å; F201-Y229 HydrophobicContact CD1-CG 4.45Å; F201-Y229 HydrophobicContact CE1-CD1 4.42Å; S202-Y229 VanDerWaalsContact CA-CZ 3.5Å; M205-Y229 HydrophobicContact CB-CD1 4.45Å; M205-Y229 HydrophobicContact CB-CE1 3.51Å; M205-Y229 HydrophobicContact CG-CD1 4.11Å; M205-Y229 HydrophobicContact CG-CE1 3.59Å; S226-Y229 PolarHBondContact O-N 3.16Å; Y229-S231 VanDerWaalsContact C-N 3.3Å; Y229-S231 PolarHBondContact O-N 3.25Å; Y229-T232 WeakPolarHBondContact O-CB 3.49Å; Y229-T232 PolarHBondContact O-N 2.87Å; Y229-T232 VanDerWaalsContact O-N 3.1Å; Y229-L233 HydrophobicContact CE1-CB 4.29Å; Y229-L233 HydrophobicContact CE1-CD2 3.93Å; Y229-L233 WeakPolarHBondContact O-CB 3.43Å; Y229-L233 PolarHBondContact O-N 3Å; Y229-P244 WeakPolarHBondContact OH-CB 3.48Å; Y229-N248 WeakPolarHBondContact CE2-OD1 3.41Å; Y229-N248 PolarHBondContact OH-OD1 2.83Å; Y229-L251 HydrophobicContact CD2-CD2 3.88Å; Y229-L251 HydrophobicContact CE2-CD2 4.15Å |
| 230 | M | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -56.2 | -45.8 | 176.7 | -70.3 | 169.4 | 62.7 | 0 | 0 | 111.3 | F201 V220 S226 T227 T232 L233 Y234 P323 L324 F325 | F201-M230 HydrophobicContact CD1-CG 4.47Å; F201-M230 HydrophobicContact CE1-CG 3.85Å; F201-M230 HydrophobicContact CE1-SD 4.24Å; V220-M230 HydrophobicContact CG1-CE 3.97Å; V220-M230 HydrophobicContact CG1-CG 4.21Å; V220-M230 HydrophobicContact CG1-SD 4.03Å; V220-M230 VanDerWaalsContact O-CE 3.22Å; V220-M230 WeakPolarHBondContact O-CE 3.5Å; S226-M230 WeakPolarHBondContact O-CG 3.29Å; S226-M230 PolarHBondContact O-N 3.37Å; T227-M230 PolarHBondContact O-N 3.06Å; M230-T232 VanDerWaalsContact C-N 3.34Å; M230-T232 PolarHBondContact O-N 2.69Å; M230-L233 PolarHBondContact O-N 2.87Å; M230-Y234 WeakPolarHBondContact O-CB 3.15Å; M230-Y234 VanDerWaalsContact O-CD2 3.32Å; M230-Y234 WeakPolarHBondContact O-CD2 3.49Å; M230-Y234 PolarHBondContact O-N 2.84Å; M230-P323 HydrophobicContact CE-CB 3.81Å; M230-L324 WeakPolarHBondContact CE-O 3.32Å; M230-F325 HydrophobicContact CB-CD1 4.46Å; M230-F325 HydrophobicContact CB-CE1 3.57Å; M230-F325 HydrophobicContact CB-CZ 4.17Å; M230-F325 HydrophobicContact CE-CD1 3.96Å; M230-F325 HydrophobicContact CE-CE1 3.72Å; M230-F325 HydrophobicContact CE-CG 4.5Å; M230-F325 HydrophobicContact CE-CZ 4.02Å; M230-F325 HydrophobicContact SD-CD1 4.47Å; M230-F325 HydrophobicContact SD-CE1 4.33Å |
| 231 | S | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 176.6 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | T227 Y229 S235 | T227-S231 VanDerWaalsContact O-CB 3.26Å; T227-S231 WeakPolarHBondContact O-CB 3.22Å; T227-S231 PolarHBondContact O-N 2.8Å; T227-S231 PolarHBondContact O-OG 3.14Å; Y229-S231 VanDerWaalsContact C-N 3.3Å; Y229-S231 PolarHBondContact O-N 3.25Å; S231-S235 WeakPolarHBondContact O-CB 3.39Å; S231-S235 PolarHBondContact O-N 2.91Å; S231-S235 PolarHBondContact O-OG 2.86Å |
| 232 | T | 98.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 178.3 | -57.9 | 0 | 0 | 0 | 0 | 112.2 | W228 Y229 M230 S235 H236 I300 R303 | W228-T232 WeakPolarHBondContact O-CB 3.07Å; W228-T232 PolarHBondContact O-N 3.02Å; W228-T232 PolarHBondContact O-OG1 2.86Å; Y229-T232 WeakPolarHBondContact O-CB 3.49Å; Y229-T232 PolarHBondContact O-N 2.87Å; Y229-T232 VanDerWaalsContact O-N 3.1Å; M230-T232 VanDerWaalsContact C-N 3.34Å; M230-T232 PolarHBondContact O-N 2.69Å; T232-S235 PolarHBondContact O-OG 2.91Å; T232-H236 PolarHBondContact O-N 3.11Å; T232-I300 HydrophobicContact CG2-CG2 4.44Å; T232-R303 PolarHBondContact O-NH2 3.43Å; T232-R303 VanDerWaalsContact O-NH2 3.14Å |
| 233 | L | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.2 | -53.9 | -178.6 | -178.6 | 66.6 | 0 | 0 | 0 | 111.9 | M205 Y229 M230 S235 H236 F239 P244 I247 | M205-L233 HydrophobicContact CE-CD2 3.89Å; Y229-L233 HydrophobicContact CE1-CB 4.29Å; Y229-L233 HydrophobicContact CE1-CD2 3.93Å; Y229-L233 WeakPolarHBondContact O-CB 3.43Å; Y229-L233 PolarHBondContact O-N 3Å; M230-L233 PolarHBondContact O-N 2.87Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 3.29Å; L233-H236 VanDerWaalsContact O-CB 3.29Å; L233-H236 WeakPolarHBondContact O-CB 3.32Å; L233-H236 PolarHBondContact O-N 3.24Å; L233-H236 VanDerWaalsContact O-N 3.11Å; L233-F239 HydrophobicContact CD1-CD2 3.5Å; L233-F239 HydrophobicContact CD1-CE2 3.73Å; L233-F239 HydrophobicContact CD1-CG 4.15Å; L233-F239 HydrophobicContact CD1-CZ 4.49Å; L233-F239 HydrophobicContact CD2-CE2 3.99Å; L233-F239 HydrophobicContact CD2-CZ 4.1Å; L233-F239 HydrophobicContact CG-CD2 3.88Å; L233-F239 HydrophobicContact CG-CE1 4.41Å; L233-F239 HydrophobicContact CG-CE2 3.82Å; L233-F239 HydrophobicContact CG-CG 4.26Å; L233-F239 HydrophobicContact CG-CZ 4.09Å; L233-F239 WeakPolarHBondContact O-CB 3.47Å; L233-P244 HydrophobicContact CD1-CG 4.39Å; L233-I247 HydrophobicContact CD1-CD1 3.63Å; L233-I247 HydrophobicContact CD1-CG2 4.41Å |
| 234 | Y | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -72.7 | -22.2 | -175.9 | -79.9 | -95.2 | 0 | 0 | 0 | 112.8 | M230 H236 F239 I311 K314 I315 P321 P323 | M230-Y234 WeakPolarHBondContact O-CB 3.15Å; M230-Y234 VanDerWaalsContact O-CD2 3.32Å; M230-Y234 WeakPolarHBondContact O-CD2 3.49Å; M230-Y234 PolarHBondContact O-N 2.84Å; Y234-H236 VanDerWaalsContact C-N 3.34Å; Y234-F239 AromaticContact CD1-CE1 3.99Å; Y234-F239 HydrophobicContact CD1-CE1 3.99Å; Y234-F239 HydrophobicContact CE1-CE1 4.01Å; Y234-F239 HydrophobicContact CG-CE1 4.32Å; Y234-I311 HydrophobicContact CD1-CG2 3.89Å; Y234-I311 HydrophobicContact CG-CG2 4.21Å; Y234-K314 HydrophobicContact CD1-CB 4.15Å; Y234-K314 WeakPolarHBondContact O-CG 3.34Å; Y234-I315 HydrophobicContact CE1-CG2 4.09Å; Y234-P321 WeakPolarHBondContact CE1-O 3.39Å; Y234-P321 PolarHBondContact OH-O 3.04Å; Y234-P323 HydrophobicContact CD1-CB 4.3Å; Y234-P323 HydrophobicContact CD1-CG 3.79Å; Y234-P323 HydrophobicContact CD2-CB 4.2Å; Y234-P323 HydrophobicContact CE1-CB 4.12Å; Y234-P323 HydrophobicContact CE1-CG 3.79Å; Y234-P323 HydrophobicContact CE2-CB 4.02Å; Y234-P323 HydrophobicContact CG-CB 4.34Å; Y234-P323 HydrophobicContact CG-CG 4.17Å |
| 235 | S | 97.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -10.3 | 170.8 | 66.2 | 0 | 0 | 0 | 0 | 113.6 | S231 T232 L233 R303 | S231-S235 WeakPolarHBondContact O-CB 3.39Å; S231-S235 PolarHBondContact O-N 2.91Å; S231-S235 PolarHBondContact O-OG 2.86Å; T232-S235 PolarHBondContact O-OG 2.91Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 3.29Å; S235-R303 VanDerWaalsContact O-CD 3.23Å; S235-R303 WeakPolarHBondContact O-CD 3.37Å; S235-R303 PolarHBondContact O-NE 3.23Å; S235-R303 PolarHBondContact OG-NE 3.18Å |
| 236 | H | 97.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 2% | 0.023 | 16% | 0.163 | C | C | . | . | trans | -67.8 | 130.2 | -175.9 | -169 | -71.7 | 0 | 0 | 0 | 110.4 | T232 L233 Y234 D238 F239 I247 E250 K314 | T232-H236 PolarHBondContact O-N 3.11Å; L233-H236 VanDerWaalsContact O-CB 3.29Å; L233-H236 WeakPolarHBondContact O-CB 3.32Å; L233-H236 PolarHBondContact O-N 3.24Å; L233-H236 VanDerWaalsContact O-N 3.11Å; Y234-H236 VanDerWaalsContact C-N 3.34Å; H236-D238 VanDerWaalsContact C-N 3.31Å; H236-D238 IonicContact CE1-OD2 4Å; H236-D238 PolarHBondContact CE1-OD2 2.95Å; H236-D238 PolarHBondContact ND1-N 3.2Å; H236-D238 PolarHBondContact O-N 3.03Å; H236-F239 HydrophobicContact CB-CB 4.07Å; H236-F239 PolarHBondContact O-N 3.48Å; H236-I247 HydrophobicContact CB-CD1 3.87Å; H236-E250 IonicContact NE2-OE1 2.74Å; H236-E250 IonicContact NE2-OE2 3.91Å; H236-K314 WeakPolarHBondContact O-CE 3.41Å; H236-K314 PolarHBondContact O-NZ 3.22Å | ||
| 237 | P | 96.1 | Very high | 97.2 | Very high | 87 Ų | 87 | 30.5 Ų | 30.5 | 57% | 0.565 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -42.8 | -175.3 | 20.8 | -33 | 0 | 0 | 0 | 112.4 | K314 | P237-K314 PolarHBondContact O-NZ 3.34Š|
| 238 | D | 96.2 | Very high | 97.1 | Very high | 83 Ų | 83 | 30.7 Ų | 30.7 | 44% | 0.444 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -5.6 | -177.3 | -53.7 | -45.9 | 0 | 0 | 0 | 115.1 | H236 N241 K242 | H236-D238 VanDerWaalsContact C-N 3.31Å; H236-D238 IonicContact CE1-OD2 4Å; H236-D238 PolarHBondContact CE1-OD2 2.95Å; H236-D238 PolarHBondContact ND1-N 3.2Å; H236-D238 PolarHBondContact O-N 3.03Å; D238-N241 CarbonylContact O-C 3.59Å; D238-N241 WeakPolarHBondContact O-CA 3.43Å; D238-N241 WeakPolarHBondContact O-CB 3.47Å; D238-N241 PolarHBondContact O-N 2.8Å; D238-K242 HydrophobicContact CB-CB 3.55Å; D238-K242 HydrophobicContact CB-CD 4.13Å; D238-K242 PolarHBondContact O-N 2.52Å |
| 239 | F | 97.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 137.9 | 175.4 | 179 | -102.8 | 0 | 0 | 0 | 109.7 | F209 L233 Y234 H236 I247 K314 S320 | F209-F239 HydrophobicContact CE2-CE2 4.47Å; L233-F239 HydrophobicContact CD1-CD2 3.5Å; L233-F239 HydrophobicContact CD1-CE2 3.73Å; L233-F239 HydrophobicContact CD1-CG 4.15Å; L233-F239 HydrophobicContact CD1-CZ 4.49Å; L233-F239 HydrophobicContact CD2-CE2 3.99Å; L233-F239 HydrophobicContact CD2-CZ 4.1Å; L233-F239 HydrophobicContact CG-CD2 3.88Å; L233-F239 HydrophobicContact CG-CE1 4.41Å; L233-F239 HydrophobicContact CG-CE2 3.82Å; L233-F239 HydrophobicContact CG-CG 4.26Å; L233-F239 HydrophobicContact CG-CZ 4.09Å; L233-F239 WeakPolarHBondContact O-CB 3.47Å; Y234-F239 AromaticContact CD1-CE1 3.99Å; Y234-F239 HydrophobicContact CD1-CE1 3.99Å; Y234-F239 HydrophobicContact CE1-CE1 4.01Å; Y234-F239 HydrophobicContact CG-CE1 4.32Å; H236-F239 HydrophobicContact CB-CB 4.07Å; H236-F239 PolarHBondContact O-N 3.48Å; F239-I247 HydrophobicContact CB-CD1 4.1Å; F239-I247 HydrophobicContact CD2-CD1 4.33Å; F239-K314 HydrophobicContact CD1-CB 4.49Å; F239-K314 HydrophobicContact CD1-CG 4.42Å; F239-K314 WeakPolarHBondContact O-CD 3.19Å; F239-K314 WeakPolarHBondContact O-CE 3.28Å; F239-K314 PolarHBondContact O-NZ 3.43Å; F239-S320 VanDerWaalsContact CE1-OG 3.23Å; F239-S320 WeakPolarHBondContact CE1-OG 3.35Å; F239-S320 WeakPolarHBondContact CZ-OG 3.49Å |
| 240 | P | 95.3 | Very high | 96.9 | Very high | 31 Ų | 31 | 36.9 Ų | 36.9 | 20% | 0.201 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92.9 | 6.1 | 3.8 | 37.3 | -36.7 | 0 | 0 | 0 | 116.5 | K242 Q319 | P240-K242 VanDerWaalsContact C-N 3.32Å; P240-K242 PolarHBondContact O-N 2.8Å; P240-Q319 HydrophobicContact CG-CB 4.16Å; P240-Q319 HydrophobicContact CG-CG 3.68Å |
| 241 | N | 93.8 | Very high | 96.8 | Very high | 159 Ų | 159 | 37 Ų | 37 | 85% | 0.85 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -41.3 | 177.4 | -61.3 | -34.9 | 0 | 0 | 0 | 111.4 | D238 | D238-N241 CarbonylContact O-C 3.59Å; D238-N241 WeakPolarHBondContact O-CA 3.43Å; D238-N241 WeakPolarHBondContact O-CB 3.47Å; D238-N241 PolarHBondContact O-N 2.8Å |
| 242 | K | 94.4 | Very high | 96.7 | Very high | 46 Ų | 46 | 39 Ų | 39 | 20% | 0.2 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -91.5 | 120.6 | 167.6 | -168.7 | 178.1 | 178.7 | -173.7 | 0 | 108.5 | D238 P240 D246 I247 E250 | D238-K242 HydrophobicContact CB-CB 3.55Å; D238-K242 HydrophobicContact CB-CD 4.13Å; D238-K242 PolarHBondContact O-N 2.52Å; P240-K242 VanDerWaalsContact C-N 3.32Å; P240-K242 PolarHBondContact O-N 2.8Å; K242-D246 HydrophobicContact CD-CB 3.99Å; K242-D246 HydrophobicContact CG-CB 3.67Å; K242-I247 HydrophobicContact CD-CG1 4.28Å; K242-I247 HydrophobicContact CG-CG1 4.21Å; K242-I247 WeakPolarHBondContact O-CD1 3.24Å; K242-E250 IonicContact NZ-OE1 2.65Å; K242-E250 PolarHBondContact NZ-OE1 3.02Å |
| 243 | G | 95.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 9% | 0.093 | 24% | 0.239 | C | C | . | . | trans | -85.2 | 177.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K245 D246 I247 | G243-K245 PolarHBondContact O-N 2.86Å; G243-D246 PolarHBondContact O-N 3.21Å; G243-I247 WeakPolarHBondContact O-CG1 3.49Å; G243-I247 PolarHBondContact O-N 3.36Å | ||
| 244 | P | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -53.1 | -34.4 | 176.2 | -31.4 | 39 | 0 | 0 | 0 | 114.5 | M205 K206 F209 Y229 L233 D246 I247 N248 | M205-P244 HydrophobicContact CB-CG 4.49Å; K206-P244 HydrophobicContact CB-CB 3.86Å; K206-P244 HydrophobicContact CG-CB 4.47Å; F209-P244 HydrophobicContact CB-CG 3.88Å; F209-P244 HydrophobicContact CD2-CG 4.3Å; F209-P244 VanDerWaalsContact CG-CD 3.44Å; F209-P244 HydrophobicContact CG-CG 4.1Å; Y229-P244 WeakPolarHBondContact OH-CB 3.48Å; L233-P244 HydrophobicContact CD1-CG 4.39Å; P244-D246 VanDerWaalsContact C-N 3.3Å; P244-D246 PolarHBondContact O-N 3.01Å; P244-I247 PolarHBondContact O-N 2.88Å; P244-N248 WeakPolarHBondContact O-CB 3.49Å; P244-N248 PolarHBondContact O-N 2.97Å; P244-N248 PolarHBondContact O-ND2 2.94Å; P244-N248 PolarHBondContact O-OD1 2.82Å; P244-N248 VanDerWaalsContact O-OD1 3.1Å |
| 245 | K | 95.3 | Very high | 96 | Very high | 121 Ų | 121 | 50.9 Ų | 50.9 | 53% | 0.526 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -50.2 | -48.7 | 179 | -179.3 | -179.3 | 178.3 | 177 | 0 | 113.1 | G243 S249 | G243-K245 PolarHBondContact O-N 2.86Å; K245-S249 PolarHBondContact O-OG 3.41Å; K245-S249 VanDerWaalsContact O-OG 3.06Å |
| 246 | D | 95.6 | Very high | 95.7 | Very high | 81 Ų | 81 | 52.8 Ų | 52.8 | 43% | 0.433 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -83.2 | -37 | -177.2 | -54.2 | -53.5 | 0 | 0 | 0 | 111.6 | K242 G243 P244 S249 E250 | K242-D246 HydrophobicContact CD-CB 3.99Å; K242-D246 HydrophobicContact CG-CB 3.67Å; G243-D246 PolarHBondContact O-N 3.21Å; P244-D246 VanDerWaalsContact C-N 3.3Å; P244-D246 PolarHBondContact O-N 3.01Å; D246-S249 WeakPolarHBondContact O-CB 3.45Å; D246-S249 PolarHBondContact O-N 3.24Å; D246-E250 PolarHBondContact O-N 2.98Å |
| 247 | I | 97.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.4 | -40 | 179.7 | -63.4 | 173.5 | 0 | 0 | 0 | 110.9 | L233 H236 F239 K242 G243 P244 S249 E250 L251 | L233-I247 HydrophobicContact CD1-CD1 3.63Å; L233-I247 HydrophobicContact CD1-CG2 4.41Å; H236-I247 HydrophobicContact CB-CD1 3.87Å; F239-I247 HydrophobicContact CB-CD1 4.1Å; F239-I247 HydrophobicContact CD2-CD1 4.33Å; K242-I247 HydrophobicContact CD-CG1 4.28Å; K242-I247 HydrophobicContact CG-CG1 4.21Å; K242-I247 WeakPolarHBondContact O-CD1 3.24Å; G243-I247 WeakPolarHBondContact O-CG1 3.49Å; G243-I247 PolarHBondContact O-N 3.36Å; P244-I247 PolarHBondContact O-N 2.88Å; I247-S249 PolarHBondContact O-N 2.7Å; I247-E250 WeakPolarHBondContact O-CB 3.46Å; I247-E250 PolarHBondContact O-N 2.74Å; I247-E250 VanDerWaalsContact O-N 3.08Å; I247-L251 PolarHBondContact O-N 3.42Å |
| 248 | N | 98.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.8 | -28.6 | 177.5 | -64 | 0.5 | 0 | 0 | 0 | 111.4 | S202 Y229 P244 E250 L251 M252 H685 | S202-N248 VanDerWaalsContact C-ND2 3.34Å; S202-N248 PolarHBondContact O-ND2 2.69Å; Y229-N248 WeakPolarHBondContact CE2-OD1 3.41Å; Y229-N248 PolarHBondContact OH-OD1 2.83Å; P244-N248 WeakPolarHBondContact O-CB 3.49Å; P244-N248 PolarHBondContact O-N 2.97Å; P244-N248 PolarHBondContact O-ND2 2.94Å; P244-N248 PolarHBondContact O-OD1 2.82Å; P244-N248 VanDerWaalsContact O-OD1 3.1Å; N248-E250 VanDerWaalsContact C-N 3.29Å; N248-E250 PolarHBondContact O-N 3.43Å; N248-L251 WeakPolarHBondContact O-CB 3.4Å; N248-L251 PolarHBondContact O-N 3.31Å; N248-M252 PolarHBondContact O-N 3.48Å; N248-H685 PolarHBondContact ND2-CD2 2.87Å; N248-H685 PolarHBondContact ND2-NE2 2.67Å |
| 249 | S | 96.9 | Very high | 93.7 | Very high | 57 Ų | 57 | 49.9 Ų | 49.9 | 40% | 0.399 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.1 | -31.6 | 173.8 | -62 | 0 | 0 | 0 | 0 | 112.2 | K245 D246 I247 K253 | K245-S249 PolarHBondContact O-OG 3.41Å; K245-S249 VanDerWaalsContact O-OG 3.06Å; D246-S249 WeakPolarHBondContact O-CB 3.45Å; D246-S249 PolarHBondContact O-N 3.24Å; I247-S249 PolarHBondContact O-N 2.7Å; S249-K253 WeakPolarHBondContact O-CG 3.47Å |
| 250 | E | 95.3 | Very high | 92.7 | Very high | 72 Ų | 72 | 52 Ų | 52 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72 | -45 | 170.3 | -63.6 | 176.9 | -161.5 | 0 | 0 | 110.8 | H236 K242 D246 I247 N248 M252 K253 R254 | H236-E250 IonicContact NE2-OE1 2.74Å; H236-E250 IonicContact NE2-OE2 3.91Å; K242-E250 IonicContact NZ-OE1 2.65Å; K242-E250 PolarHBondContact NZ-OE1 3.02Å; D246-E250 PolarHBondContact O-N 2.98Å; I247-E250 WeakPolarHBondContact O-CB 3.46Å; I247-E250 PolarHBondContact O-N 2.74Å; I247-E250 VanDerWaalsContact O-N 3.08Å; N248-E250 VanDerWaalsContact C-N 3.29Å; N248-E250 PolarHBondContact O-N 3.43Å; E250-M252 VanDerWaalsContact C-N 3.31Å; E250-M252 PolarHBondContact O-N 2.78Å; E250-K253 PolarHBondContact O-N 3.27Å; E250-K253 VanDerWaalsContact O-N 3.13Å; E250-R254 WeakPolarHBondContact O-CG 3.21Å; E250-R254 PolarHBondContact O-N 2.88Å; E250-R254 VanDerWaalsContact O-N 3.09Å |
| 251 | L | 96.5 | Very high | 91.9 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.5 | -46.7 | 177.1 | -177.6 | 63 | 0 | 0 | 0 | 111.7 | M198 Y229 I247 N248 K253 R254 V255 L299 F681 | M198-L251 HydrophobicContact CE-CD1 3.95Å; M198-L251 HydrophobicContact SD-CD1 4.14Å; Y229-L251 HydrophobicContact CD2-CD2 3.88Å; Y229-L251 HydrophobicContact CE2-CD2 4.15Å; I247-L251 PolarHBondContact O-N 3.42Å; N248-L251 WeakPolarHBondContact O-CB 3.4Å; N248-L251 PolarHBondContact O-N 3.31Å; L251-K253 VanDerWaalsContact C-N 3.32Å; L251-K253 PolarHBondContact O-N 3.48Å; L251-R254 WeakPolarHBondContact O-CB 2.85Å; L251-R254 PolarHBondContact O-N 3.36Å; L251-V255 HydrophobicContact CD1-CG1 4.09Å; L251-V255 WeakPolarHBondContact O-CG2 3.03Å; L251-V255 PolarHBondContact O-N 3.27Å; L251-L299 HydrophobicContact CD1-CD2 3.72Å; L251-F681 HydrophobicContact CB-CE2 4.42Å; L251-F681 HydrophobicContact CB-CZ 4.45Å; L251-F681 HydrophobicContact CD2-CE2 4.04Å; L251-F681 HydrophobicContact CD2-CZ 4.31Å; L251-F681 HydrophobicContact CG-CE2 3.95Å; L251-F681 HydrophobicContact CG-CZ 4.38Å |
| 252 | M | 97.2 | Very high | 91.2 | Very high | 41 Ų | 41 | 52.8 Ų | 52.8 | 20% | 0.202 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.8 | -47.3 | 176.7 | -175.8 | 174.7 | 64.8 | 0 | 0 | 112.1 | N248 E250 R254 V255 S256 N678 F681 | N248-M252 PolarHBondContact O-N 3.48Å; E250-M252 VanDerWaalsContact C-N 3.31Å; E250-M252 PolarHBondContact O-N 2.78Å; M252-R254 VanDerWaalsContact C-N 3.29Å; M252-R254 PolarHBondContact O-N 2.99Å; M252-V255 PolarHBondContact O-N 3.44Å; M252-S256 PolarHBondContact O-N 3.44Å; M252-N678 HydrophobicContact CG-CB 4.38Å; M252-N678 HydrophobicContact SD-CB 4.08Å; M252-F681 HydrophobicContact CB-CD1 3.61Å; M252-F681 HydrophobicContact CB-CD2 4.18Å; M252-F681 HydrophobicContact CB-CE1 3.63Å; M252-F681 HydrophobicContact CB-CE2 4.16Å; M252-F681 HydrophobicContact CB-CG 3.91Å; M252-F681 HydrophobicContact CB-CZ 3.9Å; M252-F681 HydrophobicContact CG-CB 4.01Å; M252-F681 HydrophobicContact CG-CD1 3.5Å; M252-F681 VanDerWaalsContact CG-CD1 3.5Å; M252-F681 HydrophobicContact CG-CD2 4.35Å; M252-F681 HydrophobicContact CG-CE1 4.05Å; M252-F681 HydrophobicContact CG-CG 3.68Å; M252-F681 HydrophobicContact SD-CD1 3.74Å; M252-F681 HydrophobicContact SD-CE1 4.34Å; M252-F681 HydrophobicContact SD-CG 4.39Å |
| 253 | K | 94.8 | Very high | 90.2 | Very high | 145 Ų | 145 | 51.3 Ų | 51.3 | 63% | 0.63 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.2 | -37.7 | 179.2 | -66.9 | 173.1 | -174.8 | 174.8 | 0 | 111.4 | S249 E250 L251 S256 | S249-K253 WeakPolarHBondContact O-CG 3.47Å; E250-K253 PolarHBondContact O-N 3.27Å; E250-K253 VanDerWaalsContact O-N 3.13Å; L251-K253 VanDerWaalsContact C-N 3.32Å; L251-K253 PolarHBondContact O-N 3.48Å; K253-S256 PolarHBondContact O-OG 3.2Å |
| 254 | R | 91.6 | Very high | 89.1 | Confident | 112 Ų | 112 | 55.5 Ų | 55.5 | 42% | 0.423 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.5 | -44.9 | -179.2 | -67.1 | -63.3 | 179.5 | -175.8 | 0 | 112.3 | E250 L251 M252 S256 S257 T298 P301 | E250-R254 WeakPolarHBondContact O-CG 3.21Å; E250-R254 PolarHBondContact O-N 2.88Å; E250-R254 VanDerWaalsContact O-N 3.09Å; L251-R254 WeakPolarHBondContact O-CB 2.85Å; L251-R254 PolarHBondContact O-N 3.36Å; M252-R254 VanDerWaalsContact C-N 3.29Å; M252-R254 PolarHBondContact O-N 2.99Å; R254-S256 VanDerWaalsContact C-N 3.29Å; R254-S256 PolarHBondContact O-N 3.01Å; R254-S257 PolarHBondContact O-OG 2.78Å; R254-S257 VanDerWaalsContact O-OG 3.07Å; R254-T298 WeakPolarHBondContact CB-O 3.41Å; R254-T298 WeakPolarHBondContact CD-O 3.42Å; R254-P301 VanDerWaalsContact CZ-CG 3.45Å |
| 255 | V | 94.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -80.4 | -8.4 | -175.7 | -56.6 | 0 | 0 | 0 | 0 | 114.3 | F195 M198 L251 M252 S257 L299 Y676 F681 | F195-V255 HydrophobicContact CD2-CB 4.23Å; F195-V255 HydrophobicContact CD2-CG1 4.1Å; F195-V255 HydrophobicContact CE2-CB 3.94Å; F195-V255 HydrophobicContact CE2-CG1 3.67Å; F195-V255 HydrophobicContact CZ-CG1 4.15Å; M198-V255 HydrophobicContact CE-CG1 3.64Å; L251-V255 HydrophobicContact CD1-CG1 4.09Å; L251-V255 WeakPolarHBondContact O-CG2 3.03Å; L251-V255 PolarHBondContact O-N 3.27Å; M252-V255 PolarHBondContact O-N 3.44Å; V255-S257 VanDerWaalsContact C-N 3.32Å; V255-L299 HydrophobicContact CG1-CD2 4.12Å; V255-Y676 PolarHBondContact O-N 3.04Å; V255-F681 HydrophobicContact CG2-CD2 3.68Å; V255-F681 HydrophobicContact CG2-CE2 4.24Å |
| 256 | S | 92.1 | Very high | 86.5 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 32% | 0.315 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -27.6 | 175.5 | 74.1 | 0 | 0 | 0 | 0 | 114.6 | M252 K253 R254 Q675 Y676 | M252-S256 PolarHBondContact O-N 3.44Å; K253-S256 PolarHBondContact O-OG 3.2Å; R254-S256 VanDerWaalsContact C-N 3.29Å; R254-S256 PolarHBondContact O-N 3.01Å; S256-Q675 PolarHBondContact O-NE2 3.3Å; S256-Y676 WeakPolarHBondContact CA-O 3.46Å |
| 257 | S | 85.9 | Confident | 85.4 | Confident | 61 Ų | 61 | 59.9 Ų | 59.9 | 43% | 0.427 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -89 | 141 | 174 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | R254 V255 P259 | R254-S257 PolarHBondContact O-OG 2.78Å; R254-S257 VanDerWaalsContact O-OG 3.07Å; V255-S257 VanDerWaalsContact C-N 3.32Å; S257-P259 WeakPolarHBondContact O-CD 3.46Å |
| 258 | N | 81 | Confident | 84.5 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | trans | -63.7 | 115.2 | 175 | -172.2 | -24.8 | 0 | 0 | 0 | 111 | L260 R261 Q675 | N258-L260 PolarHBondContact O-N 3.06Å; N258-L260 VanDerWaalsContact OD1-CB 3.25Å; N258-L260 WeakPolarHBondContact OD1-CB 3.25Å; N258-L260 WeakPolarHBondContact OD1-CG 3.39Å; N258-L260 PolarHBondContact OD1-N 3.03Å; N258-R261 HydrophobicContact CB-CG 4.45Å; N258-R261 WeakPolarHBondContact O-CB 3.31Å; N258-R261 PolarHBondContact O-N 3.27Å; N258-Q675 HydrophobicContact CB-CG 4.45Å | ||
| 259 | P | 80.3 | Confident | 83.4 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -58.3 | -31.2 | 179.8 | -29.3 | 40.6 | 0 | 0 | 0 | 113.1 | F195 S257 R261 L262 L294 T298 F674 | F195-P259 HydrophobicContact CE2-CG 4.36Å; F195-P259 HydrophobicContact CZ-CG 4.45Å; S257-P259 WeakPolarHBondContact O-CD 3.46Å; P259-R261 PolarHBondContact O-N 3.04Å; P259-L262 VanDerWaalsContact O-CB 3.28Å; P259-L262 WeakPolarHBondContact O-CB 3.47Å; P259-L262 WeakPolarHBondContact O-CG 3.39Å; P259-L262 PolarHBondContact O-N 3.34Å; P259-L294 HydrophobicContact CB-CD1 4.19Å; P259-L294 WeakPolarHBondContact O-CD1 3.41Å; P259-T298 HydrophobicContact CB-CG2 4.36Å; P259-T298 HydrophobicContact CG-CG2 3.92Å; P259-F674 WeakPolarHBondContact CD-O 3.3Å; P259-F674 HydrophobicContact CG-CB 4.13Å; P259-F674 VanDerWaalsContact CG-O 3.25Å; P259-F674 WeakPolarHBondContact CG-O 2.9Å |
| 260 | L | 76.9 | Confident | 82.6 | Confident | 48 Ų | 48 | 65.3 Ų | 65.3 | 25% | 0.251 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -61.8 | -17.2 | -177.5 | -57.7 | 177.8 | 0 | 0 | 0 | 113.2 | N258 L262 L263 V400 L401 | N258-L260 PolarHBondContact O-N 3.06Å; N258-L260 VanDerWaalsContact OD1-CB 3.25Å; N258-L260 WeakPolarHBondContact OD1-CB 3.25Å; N258-L260 WeakPolarHBondContact OD1-CG 3.39Å; N258-L260 PolarHBondContact OD1-N 3.03Å; L260-L262 PolarHBondContact O-N 3.48Å; L260-L263 HydrophobicContact CD2-CD1 3.91Å; L260-L263 WeakPolarHBondContact O-CB 2.97Å; L260-L263 PolarHBondContact O-N 3.06Å; L260-L263 VanDerWaalsContact O-N 3.11Å; L260-V400 HydrophobicContact CD2-CG1 4.37Å; L260-L401 HydrophobicContact CD1-CD2 4.28Å; L260-L401 HydrophobicContact CD2-CD2 4.03Å |
| 261 | R | 79.4 | Confident | 82.1 | Confident | 176 Ų | 176 | 62.4 Ų | 62.4 | 66% | 0.664 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -62.5 | -24.3 | 170.7 | -68.5 | -176.4 | 175.1 | -178.4 | -0.3 | 112.8 | N258 P259 L263 L264 | N258-R261 HydrophobicContact CB-CG 4.45Å; N258-R261 WeakPolarHBondContact O-CB 3.31Å; N258-R261 PolarHBondContact O-N 3.27Å; P259-R261 PolarHBondContact O-N 3.04Å; R261-L263 PolarHBondContact O-N 3.41Å; R261-L264 HydrophobicContact CB-CD1 4.43Å; R261-L264 VanDerWaalsContact O-CB 3.3Å; R261-L264 WeakPolarHBondContact O-CB 3.11Å; R261-L264 VanDerWaalsContact O-CD1 3.3Å; R261-L264 WeakPolarHBondContact O-CD1 3.17Å; R261-L264 WeakPolarHBondContact O-CG 3.31Å; R261-L264 PolarHBondContact O-N 3.24Å |
| 262 | L | 77.8 | Confident | 81.4 | Confident | 31 Ų | 31 | 62.7 Ų | 62.7 | 16% | 0.162 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -72.6 | -9.5 | 176.4 | -59.5 | 173.5 | 0 | 0 | 0 | 112.8 | P259 L260 L264 H267 L294 E297 | P259-L262 VanDerWaalsContact O-CB 3.28Å; P259-L262 WeakPolarHBondContact O-CB 3.47Å; P259-L262 WeakPolarHBondContact O-CG 3.39Å; P259-L262 PolarHBondContact O-N 3.34Å; L260-L262 PolarHBondContact O-N 3.48Å; L262-L264 VanDerWaalsContact C-N 3.27Å; L262-H267 VanDerWaalsContact O-CB 3.28Å; L262-H267 WeakPolarHBondContact O-CB 3.37Å; L262-L294 HydrophobicContact CB-CD1 3.82Å; L262-L294 HydrophobicContact CD1-CD1 4.17Å; L262-E297 HydrophobicContact CD1-CB 3.96Å; L262-E297 HydrophobicContact CD1-CG 3.92Å; L262-E297 HydrophobicContact CD2-CG 4.15Å |
| 263 | L | 74.1 | Confident | 80.8 | Confident | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -87.8 | 5 | 173.5 | -56.2 | 172 | 0 | 0 | 0 | 112.7 | L260 R261 L294 F397 L401 | L260-L263 HydrophobicContact CD2-CD1 3.91Å; L260-L263 WeakPolarHBondContact O-CB 2.97Å; L260-L263 PolarHBondContact O-N 3.06Å; L260-L263 VanDerWaalsContact O-N 3.11Å; R261-L263 PolarHBondContact O-N 3.41Å; L263-L294 HydrophobicContact CD1-CD2 4.42Å; L263-L294 HydrophobicContact CD2-CD1 4.29Å; L263-L294 HydrophobicContact CD2-CD2 4.46Å; L263-L294 HydrophobicContact CG-CD1 4.27Å; L263-F397 HydrophobicContact CD1-CE1 4.46Å; L263-F397 HydrophobicContact CD1-CZ 3.69Å; L263-L401 HydrophobicContact CD1-CD2 4.41Å |
| 264 | L | 72.1 | Confident | 80.3 | Confident | 97 Ų | 97 | 62.5 Ų | 62.5 | 51% | 0.508 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -68.6 | 154.1 | 175.8 | -71.2 | 171.7 | 0 | 0 | 0 | 111.6 | R261 L262 Q266 H267 I268 | R261-L264 HydrophobicContact CB-CD1 4.43Å; R261-L264 VanDerWaalsContact O-CB 3.3Å; R261-L264 WeakPolarHBondContact O-CB 3.11Å; R261-L264 VanDerWaalsContact O-CD1 3.3Å; R261-L264 WeakPolarHBondContact O-CD1 3.17Å; R261-L264 WeakPolarHBondContact O-CG 3.31Å; R261-L264 PolarHBondContact O-N 3.24Å; L262-L264 VanDerWaalsContact C-N 3.27Å; L264-Q266 PolarHBondContact O-N 3.01Å; L264-H267 PolarHBondContact O-N 3.49Å; L264-I268 PolarHBondContact O-N 2.91Å |
| 265 | P | 70.3 | Confident | 80.1 | Confident | 66 Ų | 66 | 57.4 Ų | 57.4 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -52 | -30.6 | -175 | -26.4 | 30.5 | 0 | 0 | 0 | 115.6 | H267 W458 | P265-H267 VanDerWaalsContact C-N 3.33Å; P265-H267 PolarHBondContact O-N 3Å; P265-W458 HydrophobicContact CB-CH2 3.46Å; P265-W458 VanDerWaalsContact CB-CH2 3.46Å; P265-W458 HydrophobicContact CB-CZ2 3.86Å; P265-W458 HydrophobicContact CB-CZ3 4.06Å; P265-W458 HydrophobicContact CG-CD2 4.45Å; P265-W458 HydrophobicContact CG-CE3 4.15Å; P265-W458 HydrophobicContact CG-CH2 3.47Å; P265-W458 VanDerWaalsContact CG-CH2 3.47Å; P265-W458 HydrophobicContact CG-CZ2 3.76Å; P265-W458 HydrophobicContact CG-CZ3 3.66Å |
| 266 | Q | 69.8 | Low | 79.6 | Confident | 164 Ų | 164 | 62.5 Ų | 62.5 | 77% | 0.766 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69.8 | -27.5 | -177.7 | -169.4 | 168.8 | 16.7 | 0 | 0 | 113.7 | L264 | L264-Q266 PolarHBondContact O-N 3.01Å |
| 267 | H | 72 | Confident | 79.4 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 29% | 0.292 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -101.8 | -33.2 | -176.1 | -65.7 | -85.8 | 0 | 0 | 0 | 112.1 | L262 L264 P265 T269 N270 E297 | L262-H267 VanDerWaalsContact O-CB 3.28Å; L262-H267 WeakPolarHBondContact O-CB 3.37Å; L264-H267 PolarHBondContact O-N 3.49Å; P265-H267 VanDerWaalsContact C-N 3.33Å; P265-H267 PolarHBondContact O-N 3Å; H267-T269 VanDerWaalsContact C-N 3.31Å; H267-T269 PolarHBondContact O-N 3.01Å; H267-N270 PolarHBondContact O-N 2.85Å; H267-E297 IonicContact ND1-OE1 3.04Å |
| 268 | I | 78 | Confident | 79.5 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.2 | -21.3 | -170.4 | -153.3 | 159.2 | 0 | 0 | 0 | 114.2 | L264 N270 Y271 I272 W458 V459 M462 F463 | L264-I268 PolarHBondContact O-N 2.91Å; I268-N270 VanDerWaalsContact C-N 3.3Å; I268-N270 PolarHBondContact O-N 2.94Å; I268-Y271 WeakPolarHBondContact O-CB 3.12Å; I268-Y271 PolarHBondContact O-N 3.05Å; I268-I272 VanDerWaalsContact O-CG1 3.31Å; I268-I272 WeakPolarHBondContact O-CG1 3.46Å; I268-I272 PolarHBondContact O-N 2.76Å; I268-W458 HydrophobicContact CG2-CH2 3.87Å; I268-W458 HydrophobicContact CG2-CZ3 3.97Å; I268-V459 HydrophobicContact CD1-CB 4.33Å; I268-V459 HydrophobicContact CD1-CG1 3.6Å; I268-V459 HydrophobicContact CD1-CG2 3.91Å; I268-M462 HydrophobicContact CB-CE 4.19Å; I268-M462 HydrophobicContact CD1-CE 3.76Å; I268-M462 HydrophobicContact CG1-CE 3.81Å; I268-M462 HydrophobicContact CG2-CE 3.39Å; I268-M462 HydrophobicContact CG2-SD 3.92Å; I268-F463 HydrophobicContact CD1-CE2 3.75Å; I268-F463 HydrophobicContact CD1-CZ 4.5Å; I268-F463 HydrophobicContact CG1-CE2 3.97Å; I268-F463 HydrophobicContact CG1-CZ 4.28Å |
| 269 | T | 75.8 | Confident | 79.8 | Confident | 77 Ų | 77 | 64.8 Ų | 64.8 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 175.9 | 47.3 | 0 | 0 | 0 | 0 | 111.7 | H267 Y271 I272 Q273 | H267-T269 VanDerWaalsContact C-N 3.31Å; H267-T269 PolarHBondContact O-N 3.01Å; T269-Y271 VanDerWaalsContact C-N 3.31Å; T269-Y271 PolarHBondContact O-N 3.18Å; T269-I272 PolarHBondContact O-N 2.99Å; T269-Q273 PolarHBondContact O-N 3.13Å |
| 270 | N | 80.3 | Confident | 80.1 | Confident | 102 Ų | 102 | 68.8 Ų | 68.8 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 175.6 | -65.9 | -20.7 | 0 | 0 | 0 | 111.1 | H267 I268 I272 Q273 A274 | H267-N270 PolarHBondContact O-N 2.85Å; I268-N270 VanDerWaalsContact C-N 3.3Å; I268-N270 PolarHBondContact O-N 2.94Å; N270-I272 VanDerWaalsContact C-N 3.35Å; N270-Q273 PolarHBondContact O-N 2.71Å; N270-A274 PolarHBondContact O-N 3.01Å |
| 271 | Y | 84.8 | Confident | 80.5 | Confident | 11 Ų | 11 | 68.3 Ų | 68.3 | 4% | 0.043 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 177 | -74.3 | 21.7 | 0 | 0 | 0 | 109.6 | I268 T269 Q273 A274 L275 V290 M293 E297 | I268-Y271 WeakPolarHBondContact O-CB 3.12Å; I268-Y271 PolarHBondContact O-N 3.05Å; T269-Y271 VanDerWaalsContact C-N 3.31Å; T269-Y271 PolarHBondContact O-N 3.18Å; Y271-Q273 VanDerWaalsContact C-N 3.32Å; Y271-Q273 PolarHBondContact O-N 2.77Å; Y271-A274 PolarHBondContact O-N 2.6Å; Y271-L275 WeakPolarHBondContact O-CG 3.24Å; Y271-L275 PolarHBondContact O-N 2.89Å; Y271-V290 HydrophobicContact CD2-CG1 4.39Å; Y271-M293 VanDerWaalsContact CB-CE 3.47Å; Y271-M293 HydrophobicContact CD1-CB 4.16Å; Y271-M293 HydrophobicContact CD1-CE 4.41Å; Y271-M293 HydrophobicContact CD1-SD 3.9Å; Y271-M293 HydrophobicContact CD2-CB 3.77Å; Y271-M293 HydrophobicContact CD2-CE 3.77Å; Y271-M293 HydrophobicContact CD2-SD 4.22Å; Y271-M293 HydrophobicContact CE1-CB 3.95Å; Y271-M293 HydrophobicContact CE2-CB 3.51Å; Y271-M293 HydrophobicContact CG-CB 4.1Å; Y271-M293 HydrophobicContact CG-CE 3.63Å; Y271-M293 HydrophobicContact CG-SD 3.73Å; Y271-M293 PolarHBondContact OH-O 3.03Å; Y271-E297 WeakPolarHBondContact CE1-OE2 3.44Å; Y271-E297 PolarHBondContact OH-OE2 2.89Å |
| 272 | I | 81.6 | Confident | 80.8 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.046 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 179.7 | -63 | 162.4 | 0 | 0 | 0 | 111.2 | I268 T269 N270 A274 L275 W276 M462 F463 L466 F467 | I268-I272 VanDerWaalsContact O-CG1 3.31Å; I268-I272 WeakPolarHBondContact O-CG1 3.46Å; I268-I272 PolarHBondContact O-N 2.76Å; T269-I272 PolarHBondContact O-N 2.99Å; N270-I272 VanDerWaalsContact C-N 3.35Å; I272-A274 PolarHBondContact O-N 2.74Å; I272-L275 PolarHBondContact O-N 3.21Å; I272-W276 WeakPolarHBondContact O-CB 3.3Å; I272-W276 PolarHBondContact O-N 3.39Å; I272-M462 HydrophobicContact CD1-CE 3.28Å; I272-M462 HydrophobicContact CD1-CG 4.04Å; I272-M462 HydrophobicContact CD1-SD 3.49Å; I272-M462 WeakPolarHBondContact CD1-SD 3.21Å; I272-M462 HydrophobicContact CG1-CE 4.34Å; I272-F463 HydrophobicContact CG1-CE1 3.9Å; I272-F463 HydrophobicContact CG1-CE2 4.43Å; I272-F463 HydrophobicContact CG1-CZ 3.86Å; I272-L466 HydrophobicContact CB-CD1 4.4Å; I272-L466 HydrophobicContact CD1-CD1 3.46Å; I272-L466 VanDerWaalsContact CD1-CD1 3.46Å; I272-L466 HydrophobicContact CG1-CD1 4.23Å; I272-L466 HydrophobicContact CG2-CB 4.41Å; I272-L466 HydrophobicContact CG2-CD1 3.54Å; I272-L466 HydrophobicContact CG2-CG 4.44Å; I272-F467 HydrophobicContact CG2-CE2 3.88Å; I272-F467 HydrophobicContact CG2-CZ 4.01Å |
| 273 | Q | 83.7 | Confident | 81.4 | Confident | 131 Ų | 131 | 60.9 Ų | 60.9 | 61% | 0.612 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.7 | -42.9 | 176.5 | -176.5 | 174.8 | -3.8 | 0 | 0 | 112.4 | T269 N270 Y271 W276 T277 | T269-Q273 PolarHBondContact O-N 3.13Å; N270-Q273 PolarHBondContact O-N 2.71Å; Y271-Q273 VanDerWaalsContact C-N 3.32Å; Y271-Q273 PolarHBondContact O-N 2.77Å; Q273-W276 PolarHBondContact O-N 3.02Å; Q273-T277 PolarHBondContact O-N 3.48Å; Q273-T277 PolarHBondContact O-OG1 3.46Å |
| 274 | A | 85.5 | Confident | 82.1 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N270 Y271 I272 T277 K278 M293 | N270-A274 PolarHBondContact O-N 3.01Å; Y271-A274 PolarHBondContact O-N 2.6Å; I272-A274 PolarHBondContact O-N 2.74Å; A274-T277 WeakPolarHBondContact O-CB 3.24Å; A274-T277 PolarHBondContact O-N 2.94Å; A274-K278 PolarHBondContact O-N 2.99Å; A274-M293 HydrophobicContact CB-SD 4.21Å |
| 275 | L | 86.3 | Confident | 82.8 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 177.7 | -65.2 | 173.8 | 0 | 0 | 0 | 112.7 | Y271 I272 T277 K278 K279 V285 D289 V290 M293 F463 F467 | Y271-L275 WeakPolarHBondContact O-CG 3.24Å; Y271-L275 PolarHBondContact O-N 2.89Å; I272-L275 PolarHBondContact O-N 3.21Å; L275-T277 VanDerWaalsContact C-N 3.3Å; L275-T277 PolarHBondContact O-N 2.93Å; L275-K278 PolarHBondContact O-N 2.89Å; L275-K279 WeakPolarHBondContact O-CB 3.49Å; L275-K279 PolarHBondContact O-N 3.43Å; L275-V285 HydrophobicContact CB-CG1 4.22Å; L275-V285 HydrophobicContact CD1-CG1 4.45Å; L275-V285 HydrophobicContact CD2-CG1 3.8Å; L275-V285 HydrophobicContact CD2-CG2 4.45Å; L275-V285 HydrophobicContact CG-CG1 4.35Å; L275-V285 WeakPolarHBondContact O-CG2 3.45Å; L275-D289 HydrophobicContact CD2-CB 3.29Å; L275-V290 HydrophobicContact CD1-CG2 3.63Å; L275-M293 HydrophobicContact CD1-CE 3.82Å; L275-M293 HydrophobicContact CD2-CE 3.75Å; L275-M293 HydrophobicContact CG-CE 3.69Å; L275-F463 HydrophobicContact CD1-CE1 3.68Å; L275-F463 HydrophobicContact CD1-CZ 4.26Å; L275-F467 HydrophobicContact CB-CE1 4.19Å; L275-F467 HydrophobicContact CB-CZ 3.67Å; L275-F467 HydrophobicContact CD1-CZ 4.41Å |
| 276 | W | 84 | Confident | 83.6 | Confident | 107 Ų | 107 | 54.6 Ų | 54.6 | 41% | 0.405 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 172.9 | -88.9 | 114.2 | 0 | 0 | 0 | 111.9 | I272 Q273 K278 K279 A280 L466 F467 | I272-W276 WeakPolarHBondContact O-CB 3.3Å; I272-W276 PolarHBondContact O-N 3.39Å; Q273-W276 PolarHBondContact O-N 3.02Å; W276-K278 VanDerWaalsContact C-N 3.35Å; W276-K279 PolarHBondContact O-N 3.08Å; W276-A280 WeakPolarHBondContact O-CB 3.29Å; W276-A280 PolarHBondContact O-N 2.75Å; W276-L466 VanDerWaalsContact CH2-O 3.3Å; W276-L466 WeakPolarHBondContact CH2-O 3.41Å; W276-L466 HydrophobicContact CZ2-CB 4.22Å; W276-L466 WeakPolarHBondContact CZ2-O 3.29Å; W276-F467 AromaticContact CD1-CZ 3.87Å; W276-F467 HydrophobicContact CD2-CE1 4Å; W276-F467 HydrophobicContact CD2-CZ 4.41Å; W276-F467 HydrophobicContact CG-CE1 4.13Å; W276-F467 HydrophobicContact CG-CZ 4.18Å; W276-F467 AromaticContact NE1-CZ 3.88Å |
| 277 | T | 87.5 | Confident | 84.4 | Confident | 95 Ų | 95 | 46.9 Ų | 46.9 | 58% | 0.583 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.3 | -44.3 | 176.9 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | Q273 A274 L275 S281 | Q273-T277 PolarHBondContact O-N 3.48Å; Q273-T277 PolarHBondContact O-OG1 3.46Å; A274-T277 WeakPolarHBondContact O-CB 3.24Å; A274-T277 PolarHBondContact O-N 2.94Å; L275-T277 VanDerWaalsContact C-N 3.3Å; L275-T277 PolarHBondContact O-N 2.93Å; T277-S281 PolarHBondContact O-N 2.77Å |
| 278 | K | 88.9 | Confident | 85.3 | Confident | 28 Ų | 28 | 43.9 Ų | 43.9 | 12% | 0.122 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 174.2 | -174.7 | 178.9 | -177.7 | -158.7 | 0 | 112.4 | A274 L275 W276 S281 G282 Q283 P284 V285 D289 | A274-K278 PolarHBondContact O-N 2.99Å; L275-K278 PolarHBondContact O-N 2.89Å; W276-K278 VanDerWaalsContact C-N 3.35Å; K278-S281 PolarHBondContact O-N 2.79Å; K278-S281 PolarHBondContact O-OG 3.48Å; K278-G282 PolarHBondContact O-N 3.26Å; K278-Q283 HydrophobicContact CD-CB 4.46Å; K278-Q283 HydrophobicContact CG-CB 3.7Å; K278-Q283 PolarHBondContact O-N 2.89Å; K278-Q283 VanDerWaalsContact O-N 3.15Å; K278-P284 VanDerWaalsContact CE-O 3.27Å; K278-P284 WeakPolarHBondContact CE-O 3.46Å; K278-P284 PolarHBondContact NZ-O 3.14Å; K278-P284 VanDerWaalsContact NZ-O 3.15Å; K278-V285 HydrophobicContact CB-CG2 4.11Å; K278-V285 HydrophobicContact CD-CG2 4.03Å; K278-V285 HydrophobicContact CG-CG2 4.07Å; K278-D289 VanDerWaalsContact NZ-CG 3.34Å; K278-D289 IonicContact NZ-OD1 3.87Å; K278-D289 PolarHBondContact NZ-OD1 2.96Å; K278-D289 IonicContact NZ-OD2 2.71Å; K278-D289 PolarHBondContact NZ-OD2 3.38Å |
| 279 | K | 87.1 | Confident | 86 | Confident | 80 Ų | 80 | 44.3 Ų | 44.3 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 177.9 | -174.5 | 167.8 | -176.4 | 160.5 | 0 | 111.6 | L275 W276 S281 G282 V285 F467 | L275-K279 WeakPolarHBondContact O-CB 3.49Å; L275-K279 PolarHBondContact O-N 3.43Å; W276-K279 PolarHBondContact O-N 3.08Å; K279-S281 VanDerWaalsContact C-N 3.27Å; K279-S281 PolarHBondContact O-N 3.06Å; K279-G282 WeakPolarHBondContact O-CA 3.34Å; K279-G282 PolarHBondContact O-N 2.94Å; K279-V285 HydrophobicContact CB-CG2 4.03Å; K279-F467 HydrophobicContact CD-CD1 3.81Å; K279-F467 HydrophobicContact CD-CE1 4.21Å |
| 280 | A | 85.9 | Confident | 86.6 | Confident | 87 Ų | 87 | 40.8 Ų | 40.8 | 72% | 0.719 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65.6 | -28.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | W276 G282 | W276-A280 WeakPolarHBondContact O-CB 3.29Å; W276-A280 PolarHBondContact O-N 2.75Å; A280-G282 PolarHBondContact O-N 3.43Å |
| 281 | S | 86.4 | Confident | 87.1 | Confident | 38 Ų | 38 | 36.1 Ų | 36.1 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.7 | -21.3 | 170.9 | 87.2 | 0 | 0 | 0 | 0 | 112.2 | T277 K278 K279 K375 Y377 | T277-S281 PolarHBondContact O-N 2.77Å; K278-S281 PolarHBondContact O-N 2.79Å; K278-S281 PolarHBondContact O-OG 3.48Å; K279-S281 VanDerWaalsContact C-N 3.27Å; K279-S281 PolarHBondContact O-N 3.06Å; S281-K375 PolarHBondContact O-NZ 3.5Å; S281-Y377 VanDerWaalsContact O-CE1 3.27Å; S281-Y377 WeakPolarHBondContact O-CE1 3.2Å |
| 282 | G | 86.2 | Confident | 87.5 | Confident | 31 Ų | 31 | 35.6 Ų | 35.6 | 32% | 0.32 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | 19.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K278 K279 A280 Y377 H484 | K278-G282 PolarHBondContact O-N 3.26Å; K279-G282 WeakPolarHBondContact O-CA 3.34Å; K279-G282 PolarHBondContact O-N 2.94Å; A280-G282 PolarHBondContact O-N 3.43Å; G282-Y377 PolarHBondContact O-OH 3.25Å; G282-H484 PolarHBondContact O-CE1 3.3Å; G282-H484 PolarHBondContact O-NE2 3.15Å |
| 283 | Q | 89.4 | Confident | 88.1 | Confident | 20 Ų | 20 | 35.7 Ų | 35.7 | 9% | 0.093 | 21% | 0.208 | C | C | . | . | trans | -88.5 | 143.8 | 167.7 | -72.1 | -179.5 | -71.1 | 0 | 0 | 110.7 | K278 G365 Y377 | K278-Q283 HydrophobicContact CD-CB 4.46Å; K278-Q283 HydrophobicContact CG-CB 3.7Å; K278-Q283 PolarHBondContact O-N 2.89Å; K278-Q283 VanDerWaalsContact O-N 3.15Å; Q283-G365 PolarHBondContact NE2-O 3.15Å; Q283-Y377 VanDerWaalsContact CD-CG 3.47Å; Q283-Y377 HydrophobicContact CG-CD1 3.81Å; Q283-Y377 HydrophobicContact CG-CD2 3.45Å; Q283-Y377 VanDerWaalsContact CG-CD2 3.45Å; Q283-Y377 HydrophobicContact CG-CE1 3.87Å; Q283-Y377 HydrophobicContact CG-CE2 3.59Å; Q283-Y377 HydrophobicContact CG-CG 3.61Å | ||
| 284 | P | 88.6 | Confident | 88.5 | Confident | 20 Ų | 20 | 29.8 Ų | 29.8 | 13% | 0.13 | 18% | 0.18 | C | C | . | . | trans | -64 | 143.4 | 173.7 | 28.2 | -34.7 | 0 | 0 | 0 | 110.6 | K278 K482 | K278-P284 VanDerWaalsContact CE-O 3.27Å; K278-P284 WeakPolarHBondContact CE-O 3.46Å; K278-P284 PolarHBondContact NZ-O 3.14Å; K278-P284 VanDerWaalsContact NZ-O 3.15Å; P284-K482 HydrophobicContact CB-CB 4.28Å; P284-K482 HydrophobicContact CB-CG 4.43Å; P284-K482 HydrophobicContact CG-CB 4.47Å; P284-K482 WeakPolarHBondContact CG-O 3.47Å | ||
| 285 | V | 87.5 | Confident | 88.9 | Confident | 18 Ų | 18 | 27.4 Ų | 27.4 | 11% | 0.109 | 16% | 0.16 | C | C | . | . | trans | -117.8 | 134.6 | 173.2 | 167.4 | 0 | 0 | 0 | 0 | 107.5 | L275 K278 K279 D289 L472 | L275-V285 HydrophobicContact CB-CG1 4.22Å; L275-V285 HydrophobicContact CD1-CG1 4.45Å; L275-V285 HydrophobicContact CD2-CG1 3.8Å; L275-V285 HydrophobicContact CD2-CG2 4.45Å; L275-V285 HydrophobicContact CG-CG1 4.35Å; L275-V285 WeakPolarHBondContact O-CG2 3.45Å; K278-V285 HydrophobicContact CB-CG2 4.11Å; K278-V285 HydrophobicContact CD-CG2 4.03Å; K278-V285 HydrophobicContact CG-CG2 4.07Å; K279-V285 HydrophobicContact CB-CG2 4.03Å; V285-D289 WeakPolarHBondContact CA-OD2 3.36Å; V285-L472 WeakPolarHBondContact O-CD2 3.34Å | ||
| 286 | T | 87.6 | Confident | 89.3 | Confident | 8 Ų | 8 | 27.1 Ų | 27.1 | 5% | 0.049 | 16% | 0.159 | C | C | . | . | trans | -133.2 | 173.1 | 173.9 | 76.2 | 0 | 0 | 0 | 0 | 110.4 | T288 D289 G478 A480 K482 | T286-T288 PolarHBondContact O-N 3.03Å; T286-T288 VanDerWaalsContact O-N 3.11Å; T286-T288 WeakPolarHBondContact OG1-CB 3.04Å; T286-T288 PolarHBondContact OG1-N 2.56Å; T286-D289 PolarHBondContact N-OD2 2.87Å; T286-D289 WeakPolarHBondContact O-CB 3.41Å; T286-D289 PolarHBondContact O-N 2.89Å; T286-G478 WeakPolarHBondContact CB-O 3.48Å; T286-A480 WeakPolarHBondContact CB-O 3.33Å; T286-A480 VanDerWaalsContact CG2-O 3.24Å; T286-A480 WeakPolarHBondContact CG2-O 3.26Å; T286-A480 PolarHBondContact OG1-O 3.44Å; T286-K482 HydrophobicContact CG2-CB 3.62Å | ||
| 287 | F | 85.9 | Confident | 89.8 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.6 | -22 | 175.6 | -167.6 | -106.2 | 0 | 0 | 0 | 113 | D289 V290 F291 S394 F397 F473 G478 R479 | F287-D289 PolarHBondContact O-N 3.48Å; F287-V290 HydrophobicContact CD2-CB 4Å; F287-V290 HydrophobicContact CD2-CG1 4.41Å; F287-V290 HydrophobicContact CD2-CG2 4.18Å; F287-V290 HydrophobicContact CE2-CB 3.82Å; F287-V290 HydrophobicContact CE2-CG1 3.75Å; F287-V290 HydrophobicContact CE2-CG2 4.29Å; F287-V290 HydrophobicContact CZ-CB 4.38Å; F287-V290 HydrophobicContact CZ-CG1 4.18Å; F287-V290 WeakPolarHBondContact O-CB 3.23Å; F287-V290 PolarHBondContact O-N 2.89Å; F287-V290 VanDerWaalsContact O-N 3.09Å; F287-F291 HydrophobicContact CE1-CB 4.36Å; F287-F291 PolarHBondContact O-N 3.42Å; F287-S394 VanDerWaalsContact CD1-OG 3.31Å; F287-S394 WeakPolarHBondContact CD1-OG 3.19Å; F287-F397 HydrophobicContact CD1-CB 4.15Å; F287-F397 HydrophobicContact CD1-CD1 4.47Å; F287-F397 HydrophobicContact CD1-CG 4.21Å; F287-F397 HydrophobicContact CE1-CB 3.58Å; F287-F397 AromaticContact CE1-CD1 3.41Å; F287-F397 HydrophobicContact CE1-CD1 3.41Å; F287-F397 VanDerWaalsContact CE1-CD1 3.41Å; F287-F397 AromaticContact CE1-CD2 3.5Å; F287-F397 HydrophobicContact CE1-CD2 3.5Å; F287-F397 AromaticContact CE1-CE1 3.86Å; F287-F397 HydrophobicContact CE1-CE1 3.86Å; F287-F397 AromaticContact CE1-CE2 3.96Å; F287-F397 HydrophobicContact CE1-CE2 3.96Å; F287-F397 AromaticContact CE1-CG 3.2Å; F287-F397 HydrophobicContact CE1-CG 3.2Å; F287-F397 HydrophobicContact CE1-CZ 4.12Å; F287-F397 HydrophobicContact CE2-CD1 4.26Å; F287-F397 HydrophobicContact CE2-CE1 4.21Å; F287-F397 HydrophobicContact CZ-CB 4.36Å; F287-F397 AromaticContact CZ-CD1 3.28Å; F287-F397 HydrophobicContact CZ-CD1 3.28Å; F287-F397 AromaticContact CZ-CD2 3.9Å; F287-F397 HydrophobicContact CZ-CD2 3.9Å; F287-F397 AromaticContact CZ-CE1 3.28Å; F287-F397 HydrophobicContact CZ-CE1 3.28Å; F287-F397 AromaticContact CZ-CE2 3.91Å; F287-F397 HydrophobicContact CZ-CE2 3.91Å; F287-F397 AromaticContact CZ-CG 3.59Å; F287-F397 HydrophobicContact CZ-CG 3.59Å; F287-F397 AromaticContact CZ-CZ 3.62Å; F287-F397 HydrophobicContact CZ-CZ 3.62Å; F287-F473 AromaticContact CD2-CD1 3.75Å; F287-F473 HydrophobicContact CD2-CD1 3.75Å; F287-F473 AromaticContact CD2-CE1 3.27Å; F287-F473 HydrophobicContact CD2-CE1 3.27Å; F287-F473 HydrophobicContact CD2-CE2 4.08Å; F287-F473 HydrophobicContact CD2-CG 4.38Å; F287-F473 AromaticContact CD2-CZ 3.42Å; F287-F473 HydrophobicContact CD2-CZ 3.42Å; F287-F473 VanDerWaalsContact CD2-CZ 3.42Å; F287-F473 AromaticContact CE2-CD1 3.84Å; F287-F473 HydrophobicContact CE2-CD1 3.84Å; F287-F473 AromaticContact CE2-CE1 3.11Å; F287-F473 HydrophobicContact CE2-CE1 3.11Å; F287-F473 AromaticContact CE2-CZ 3.54Å; F287-F473 HydrophobicContact CE2-CZ 3.54Å; F287-F473 HydrophobicContact CG-CE1 4.5Å; F287-F473 HydrophobicContact CZ-CE1 4.24Å; F287-G478 PolarHBondContact N-O 3.33Å; F287-R479 HydrophobicContact CB-CB 4.06Å; F287-R479 HydrophobicContact CB-CG 3.69Å; F287-R479 HydrophobicContact CD1-CG 4.3Å; F287-R479 HydrophobicContact CG-CG 4.16Å |
| 288 | T | 91.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.6 | -31.7 | 173.1 | -65.9 | 0 | 0 | 0 | 0 | 112 | T286 G292 V388 S394 R479 G481 | T286-T288 PolarHBondContact O-N 3.03Å; T286-T288 VanDerWaalsContact O-N 3.11Å; T286-T288 WeakPolarHBondContact OG1-CB 3.04Å; T286-T288 PolarHBondContact OG1-N 2.56Å; T288-G292 PolarHBondContact O-N 3.08Å; T288-V388 HydrophobicContact CG2-CB 4.41Å; T288-V388 HydrophobicContact CG2-CG2 3.83Å; T288-S394 PolarHBondContact N-OG 3.31Å; T288-S394 PolarHBondContact OG1-OG 3.25Å; T288-R479 PolarHBondContact OG1-O 3.28Å; T288-G481 PolarHBondContact OG1-N 2.99Å |
| 289 | D | 91.8 | Very high | 90.4 | Very high | 9 Ų | 9 | 19.4 Ų | 19.4 | 5% | 0.048 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.4 | -43.3 | 174.6 | -68.6 | -83.4 | 0 | 0 | 0 | 112.1 | L275 K278 V285 T286 F287 G292 M293 F384 | L275-D289 HydrophobicContact CD2-CB 3.29Å; K278-D289 VanDerWaalsContact NZ-CG 3.34Å; K278-D289 IonicContact NZ-OD1 3.87Å; K278-D289 PolarHBondContact NZ-OD1 2.96Å; K278-D289 IonicContact NZ-OD2 2.71Å; K278-D289 PolarHBondContact NZ-OD2 3.38Å; V285-D289 WeakPolarHBondContact CA-OD2 3.36Å; T286-D289 PolarHBondContact N-OD2 2.87Å; T286-D289 WeakPolarHBondContact O-CB 3.41Å; T286-D289 PolarHBondContact O-N 2.89Å; F287-D289 PolarHBondContact O-N 3.48Å; D289-G292 PolarHBondContact O-N 3.32Å; D289-M293 PolarHBondContact O-N 3.16Å; D289-F384 WeakPolarHBondContact OD1-CD2 3.19Å; D289-F384 VanDerWaalsContact OD1-CE2 3.27Å; D289-F384 WeakPolarHBondContact OD1-CE2 3.41Å |
| 290 | V | 88.1 | Confident | 90.9 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 2% | 0.018 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.7 | -48 | 176.5 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | Y271 L275 F287 G292 M293 L294 F463 | Y271-V290 HydrophobicContact CD2-CG1 4.39Å; L275-V290 HydrophobicContact CD1-CG2 3.63Å; F287-V290 HydrophobicContact CD2-CB 4Å; F287-V290 HydrophobicContact CD2-CG1 4.41Å; F287-V290 HydrophobicContact CD2-CG2 4.18Å; F287-V290 HydrophobicContact CE2-CB 3.82Å; F287-V290 HydrophobicContact CE2-CG1 3.75Å; F287-V290 HydrophobicContact CE2-CG2 4.29Å; F287-V290 HydrophobicContact CZ-CB 4.38Å; F287-V290 HydrophobicContact CZ-CG1 4.18Å; F287-V290 WeakPolarHBondContact O-CB 3.23Å; F287-V290 PolarHBondContact O-N 2.89Å; F287-V290 VanDerWaalsContact O-N 3.09Å; V290-G292 VanDerWaalsContact C-N 3.32Å; V290-G292 PolarHBondContact O-N 2.71Å; V290-M293 PolarHBondContact O-N 3.14Å; V290-L294 PolarHBondContact O-N 2.78Å; V290-F463 HydrophobicContact CG1-CZ 4.32Å; V290-F463 HydrophobicContact CG2-CE1 3.78Å; V290-F463 HydrophobicContact CG2-CZ 3.67Å |
| 291 | F | 90.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 1% | 0.013 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.9 | -40.6 | 177.2 | -178.3 | -108 | 0 | 0 | 0 | 111.8 | W228 F287 M293 L294 I295 G390 F393 F674 | W228-F291 HydrophobicContact CH2-CZ 4.24Å; W228-F291 HydrophobicContact CZ2-CE1 4.03Å; W228-F291 HydrophobicContact CZ2-CZ 4.02Å; F287-F291 HydrophobicContact CE1-CB 4.36Å; F287-F291 PolarHBondContact O-N 3.42Å; F291-M293 PolarHBondContact O-N 3.44Å; F291-L294 HydrophobicContact CD2-CD2 4.35Å; F291-L294 WeakPolarHBondContact O-CB 3.46Å; F291-L294 PolarHBondContact O-N 3.48Å; F291-I295 HydrophobicContact CD1-CG1 4.26Å; F291-I295 HydrophobicContact CD2-CG1 4.41Å; F291-I295 HydrophobicContact CE1-CD1 4.36Å; F291-I295 HydrophobicContact CE1-CG1 3.76Å; F291-I295 HydrophobicContact CE2-CD1 4.02Å; F291-I295 HydrophobicContact CE2-CG1 3.93Å; F291-I295 HydrophobicContact CZ-CD1 3.7Å; F291-I295 HydrophobicContact CZ-CG1 3.57Å; F291-I295 WeakPolarHBondContact O-CG1 3.32Å; F291-I295 PolarHBondContact O-N 3.1Å; F291-G390 WeakPolarHBondContact CE1-O 3.18Å; F291-F393 HydrophobicContact CE1-CB 3.92Å; F291-F393 HydrophobicContact CE2-CB 3.73Å; F291-F393 HydrophobicContact CZ-CB 3.39Å; F291-F393 HydrophobicContact CZ-CD2 4.13Å; F291-F393 HydrophobicContact CZ-CG 4Å; F291-F674 HydrophobicContact CE2-CZ 4.45Å; F291-F674 HydrophobicContact CZ-CE1 4.39Å; F291-F674 HydrophobicContact CZ-CZ 4.27Å |
| 292 | G | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.9 | -46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T288 D289 V290 I295 G296 H383 | T288-G292 PolarHBondContact O-N 3.08Å; D289-G292 PolarHBondContact O-N 3.32Å; V290-G292 VanDerWaalsContact C-N 3.32Å; V290-G292 PolarHBondContact O-N 2.71Å; G292-I295 PolarHBondContact O-N 2.74Å; G292-G296 PolarHBondContact O-N 2.61Å; G292-H383 CarbonylContact C-O 3.52Å; G292-H383 WeakPolarHBondContact CA-O 3.11Å; G292-H383 WeakPolarHBondContact O-CB 2.96Å |
| 293 | M | 93 | Very high | 92 | Very high | 12 Ų | 12 | 16.2 Ų | 16.2 | 6% | 0.059 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 175.2 | -72.6 | -177.6 | -68.8 | 0 | 0 | 112.5 | Y271 A274 L275 D289 V290 F291 I295 G296 E297 H383 | Y271-M293 VanDerWaalsContact CB-CE 3.47Å; Y271-M293 HydrophobicContact CD1-CB 4.16Å; Y271-M293 HydrophobicContact CD1-CE 4.41Å; Y271-M293 HydrophobicContact CD1-SD 3.9Å; Y271-M293 HydrophobicContact CD2-CB 3.77Å; Y271-M293 HydrophobicContact CD2-CE 3.77Å; Y271-M293 HydrophobicContact CD2-SD 4.22Å; Y271-M293 HydrophobicContact CE1-CB 3.95Å; Y271-M293 HydrophobicContact CE2-CB 3.51Å; Y271-M293 HydrophobicContact CG-CB 4.1Å; Y271-M293 HydrophobicContact CG-CE 3.63Å; Y271-M293 HydrophobicContact CG-SD 3.73Å; Y271-M293 PolarHBondContact OH-O 3.03Å; A274-M293 HydrophobicContact CB-SD 4.21Å; L275-M293 HydrophobicContact CD1-CE 3.82Å; L275-M293 HydrophobicContact CD2-CE 3.75Å; L275-M293 HydrophobicContact CG-CE 3.69Å; D289-M293 PolarHBondContact O-N 3.16Å; V290-M293 PolarHBondContact O-N 3.14Å; F291-M293 PolarHBondContact O-N 3.44Å; M293-I295 PolarHBondContact O-N 3.46Å; M293-G296 PolarHBondContact O-N 2.79Å; M293-E297 WeakPolarHBondContact O-CB 3.2Å; M293-E297 PolarHBondContact O-N 3.43Å; M293-H383 WeakPolarHBondContact CG-CE1 3.44Å; M293-H383 PolarHBondContact N-ND1 3.35Å |
| 294 | L | 91.8 | Very high | 92.3 | Very high | 7 Ų | 7 | 17.6 Ų | 17.6 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.5 | -48.2 | 176 | 174.5 | 66.8 | 0 | 0 | 0 | 111.9 | P259 L262 L263 V290 F291 T298 F397 | P259-L294 HydrophobicContact CB-CD1 4.19Å; P259-L294 WeakPolarHBondContact O-CD1 3.41Å; L262-L294 HydrophobicContact CB-CD1 3.82Å; L262-L294 HydrophobicContact CD1-CD1 4.17Å; L263-L294 HydrophobicContact CD1-CD2 4.42Å; L263-L294 HydrophobicContact CD2-CD1 4.29Å; L263-L294 HydrophobicContact CD2-CD2 4.46Å; L263-L294 HydrophobicContact CG-CD1 4.27Å; V290-L294 PolarHBondContact O-N 2.78Å; F291-L294 HydrophobicContact CD2-CD2 4.35Å; F291-L294 WeakPolarHBondContact O-CB 3.46Å; F291-L294 PolarHBondContact O-N 3.48Å; L294-T298 WeakPolarHBondContact O-CB 3.39Å; L294-T298 PolarHBondContact O-N 3.5Å; L294-T298 VanDerWaalsContact O-N 3.11Å; L294-T298 PolarHBondContact O-OG1 2.95Å; L294-F397 HydrophobicContact CD2-CE2 4.44Å |
| 295 | I | 94.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.5 | -42.8 | 176.9 | -66.9 | -64.1 | 0 | 0 | 0 | 110.7 | F195 W228 F291 G292 M293 T298 L299 M386 F674 | F195-I295 HydrophobicContact CE1-CD1 4.37Å; W228-I295 HydrophobicContact CD2-CG2 4.43Å; W228-I295 HydrophobicContact CG-CG2 4.31Å; W228-I295 HydrophobicContact CH2-CD1 4.29Å; W228-I295 HydrophobicContact CZ2-CD1 4.3Å; F291-I295 HydrophobicContact CD1-CG1 4.26Å; F291-I295 HydrophobicContact CD2-CG1 4.41Å; F291-I295 HydrophobicContact CE1-CD1 4.36Å; F291-I295 HydrophobicContact CE1-CG1 3.76Å; F291-I295 HydrophobicContact CE2-CD1 4.02Å; F291-I295 HydrophobicContact CE2-CG1 3.93Å; F291-I295 HydrophobicContact CZ-CD1 3.7Å; F291-I295 HydrophobicContact CZ-CG1 3.57Å; F291-I295 WeakPolarHBondContact O-CG1 3.32Å; F291-I295 PolarHBondContact O-N 3.1Å; G292-I295 PolarHBondContact O-N 2.74Å; M293-I295 PolarHBondContact O-N 3.46Å; I295-T298 PolarHBondContact O-N 3.01Å; I295-L299 HydrophobicContact CG2-CD1 3.75Å; I295-L299 HydrophobicContact CG2-CG 4.39Å; I295-L299 WeakPolarHBondContact O-CB 3.23Å; I295-L299 WeakPolarHBondContact O-CG 3.48Å; I295-L299 PolarHBondContact O-N 3.24Å; I295-M386 HydrophobicContact CG2-CB 4.34Å; I295-M386 HydrophobicContact CG2-CE 3.65Å; I295-F674 HydrophobicContact CD1-CD1 4.33Å; I295-F674 HydrophobicContact CD1-CE1 3.92Å |
| 296 | G | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.8 | -51.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G292 M293 T298 L299 I300 M304 | G292-G296 PolarHBondContact O-N 2.61Å; M293-G296 PolarHBondContact O-N 2.79Å; G296-T298 PolarHBondContact O-N 2.84Å; G296-L299 PolarHBondContact O-N 3.29Å; G296-I300 CarbonylContact O-C 3.43Å; G296-I300 VanDerWaalsContact O-C 3.24Å; G296-I300 WeakPolarHBondContact O-CA 3.47Å; G296-I300 VanDerWaalsContact O-CG1 3.3Å; G296-I300 WeakPolarHBondContact O-CG1 3.38Å; G296-I300 PolarHBondContact O-N 3.46Å; G296-M304 VanDerWaalsContact CA-SD 3.56Å |
| 297 | E | 93.6 | Very high | 93.6 | Very high | 52 Ų | 52 | 24.9 Ų | 24.9 | 24% | 0.243 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.3 | -24.5 | -178.6 | -171.9 | 173.7 | -175.3 | 0 | 0 | 111.8 | L262 H267 Y271 M293 P301 M304 | L262-E297 HydrophobicContact CD1-CB 3.96Å; L262-E297 HydrophobicContact CD1-CG 3.92Å; L262-E297 HydrophobicContact CD2-CG 4.15Å; H267-E297 IonicContact ND1-OE1 3.04Å; Y271-E297 WeakPolarHBondContact CE1-OE2 3.44Å; Y271-E297 PolarHBondContact OH-OE2 2.89Å; M293-E297 WeakPolarHBondContact O-CB 3.2Å; M293-E297 PolarHBondContact O-N 3.43Å; E297-P301 HydrophobicContact CG-CB 4.43Å; E297-P301 VanDerWaalsContact O-CB 3.25Å; E297-P301 WeakPolarHBondContact O-CB 3.3Å; E297-P301 WeakPolarHBondContact O-CD 3.31Å; E297-P301 WeakPolarHBondContact O-CG 3.29Å; E297-M304 HydrophobicContact CB-CE 4.49Å; E297-M304 HydrophobicContact CB-SD 4.5Å; E297-M304 PolarHBondContact N-SD 2.82Å; E297-M304 VanDerWaalsContact N-SD 3.38Å |
| 298 | T | 93.7 | Very high | 94.2 | Very high | 8 Ų | 8 | 24.7 Ų | 24.7 | 5% | 0.049 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.3 | -51.4 | 170.7 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | F195 R254 P259 L294 I295 G296 | F195-T298 HydrophobicContact CZ-CG2 4.2Å; R254-T298 WeakPolarHBondContact CB-O 3.41Å; R254-T298 WeakPolarHBondContact CD-O 3.42Å; P259-T298 HydrophobicContact CB-CG2 4.36Å; P259-T298 HydrophobicContact CG-CG2 3.92Å; L294-T298 WeakPolarHBondContact O-CB 3.39Å; L294-T298 PolarHBondContact O-N 3.5Å; L294-T298 VanDerWaalsContact O-N 3.11Å; L294-T298 PolarHBondContact O-OG1 2.95Å; I295-T298 PolarHBondContact O-N 3.01Å; G296-T298 PolarHBondContact O-N 2.84Å |
| 299 | L | 95.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -95.6 | -36.3 | -165.7 | -58.9 | -179.3 | 0 | 0 | 0 | 114 | F195 M198 W228 L251 V255 I295 G296 P301 M386 | F195-L299 HydrophobicContact CE1-CD2 4.46Å; F195-L299 HydrophobicContact CZ-CD2 4.28Å; M198-L299 HydrophobicContact CE-CD2 3.92Å; M198-L299 HydrophobicContact SD-CD1 3.61Å; M198-L299 HydrophobicContact SD-CD2 3.73Å; M198-L299 HydrophobicContact SD-CG 4.35Å; W228-L299 HydrophobicContact CB-CD1 3.74Å; W228-L299 HydrophobicContact CG-CD1 4.34Å; L251-L299 HydrophobicContact CD1-CD2 3.72Å; V255-L299 HydrophobicContact CG1-CD2 4.12Å; I295-L299 HydrophobicContact CG2-CD1 3.75Å; I295-L299 HydrophobicContact CG2-CG 4.39Å; I295-L299 WeakPolarHBondContact O-CB 3.23Å; I295-L299 WeakPolarHBondContact O-CG 3.48Å; I295-L299 PolarHBondContact O-N 3.24Å; G296-L299 PolarHBondContact O-N 3.29Å; L299-P301 VanDerWaalsContact C-CD 3.43Å; L299-M386 HydrophobicContact CB-CE 4.42Å; L299-M386 HydrophobicContact CD1-CE 3.77Å |
| 300 | I | 96.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | trans | -132.5 | 42.5 | -174.4 | 59.2 | 168.8 | 0 | 0 | 0 | 113.8 | T232 G296 A302 R303 M304 I306 M386 | T232-I300 HydrophobicContact CG2-CG2 4.44Å; G296-I300 CarbonylContact O-C 3.43Å; G296-I300 VanDerWaalsContact O-C 3.24Å; G296-I300 WeakPolarHBondContact O-CA 3.47Å; G296-I300 VanDerWaalsContact O-CG1 3.3Å; G296-I300 WeakPolarHBondContact O-CG1 3.38Å; G296-I300 PolarHBondContact O-N 3.46Å; I300-A302 PolarHBondContact O-N 3.03Å; I300-R303 HydrophobicContact CB-CG 3.89Å; I300-R303 HydrophobicContact CG2-CG 4.49Å; I300-R303 CarbonylContact O-C 3.55Å; I300-R303 PolarHBondContact O-N 2.84Å; I300-M304 HydrophobicContact CG1-SD 4.42Å; I300-I306 HydrophobicContact CD1-CG2 4.16Å; I300-M386 HydrophobicContact CD1-SD 3.98Å | ||
| 301 | P | 93.4 | Very high | 95.3 | Very high | 44 Ų | 44 | 28.4 Ų | 28.4 | 29% | 0.286 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -59.4 | -25 | -171.9 | 20 | -31 | 0 | 0 | 0 | 115.1 | R254 E297 L299 R303 | R254-P301 VanDerWaalsContact CZ-CG 3.45Å; E297-P301 HydrophobicContact CG-CB 4.43Å; E297-P301 VanDerWaalsContact O-CB 3.25Å; E297-P301 WeakPolarHBondContact O-CB 3.3Å; E297-P301 WeakPolarHBondContact O-CD 3.31Å; E297-P301 WeakPolarHBondContact O-CG 3.29Å; L299-P301 VanDerWaalsContact C-CD 3.43Å; P301-R303 VanDerWaalsContact C-N 3.3Å |
| 302 | A | 93.8 | Very high | 95.6 | Very high | 88 Ų | 88 | 29.7 Ų | 29.7 | 73% | 0.727 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -83 | -3.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | I300 | I300-A302 PolarHBondContact O-N 3.03Š|
| 303 | R | 95.1 | Very high | 95.6 | Very high | 37 Ų | 37 | 36.4 Ų | 36.4 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -150.8 | 45.5 | -172.9 | 58 | -173.2 | 177.1 | -90.2 | 5.3 | 111.7 | T232 S235 I300 P301 D305 I306 | T232-R303 PolarHBondContact O-NH2 3.43Å; T232-R303 VanDerWaalsContact O-NH2 3.14Å; S235-R303 VanDerWaalsContact O-CD 3.23Å; S235-R303 WeakPolarHBondContact O-CD 3.37Å; S235-R303 PolarHBondContact O-NE 3.23Å; S235-R303 PolarHBondContact OG-NE 3.18Å; I300-R303 HydrophobicContact CB-CG 3.89Å; I300-R303 HydrophobicContact CG2-CG 4.49Å; I300-R303 CarbonylContact O-C 3.55Å; I300-R303 PolarHBondContact O-N 2.84Å; P301-R303 VanDerWaalsContact C-N 3.3Å; R303-D305 PolarHBondContact O-N 3.44Å; R303-I306 WeakPolarHBondContact O-CB 3.36Å; R303-I306 WeakPolarHBondContact O-CG2 3.29Å; R303-I306 PolarHBondContact O-N 2.98Å |
| 304 | M | 95 | Very high | 95.8 | Very high | 48 Ų | 48 | 37 Ų | 37 | 24% | 0.236 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.2 | -179.2 | -73.9 | -65.6 | -74.2 | 0 | 0 | 113.3 | G296 E297 I300 H383 | G296-M304 VanDerWaalsContact CA-SD 3.56Å; E297-M304 HydrophobicContact CB-CE 4.49Å; E297-M304 HydrophobicContact CB-SD 4.5Å; E297-M304 PolarHBondContact N-SD 2.82Å; E297-M304 VanDerWaalsContact N-SD 3.38Å; I300-M304 HydrophobicContact CG1-SD 4.42Å; M304-H383 HydrophobicContact CE-CB 4.35Å; M304-H383 PolarHBondContact O-CD2 2.86Å; M304-H383 VanDerWaalsContact O-CD2 3.22Å |
| 305 | D | 95.4 | Very high | 95.9 | Very high | 124 Ų | 124 | 36.6 Ų | 36.6 | 66% | 0.663 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -8.2 | 180 | 60 | -35.5 | 0 | 0 | 0 | 114 | R303 | R303-D305 PolarHBondContact O-N 3.44Š|
| 306 | I | 97.6 | Very high | 95.8 | Very high | 26 Ų | 26 | 40.8 Ų | 40.8 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | trans | -62.3 | 141.5 | -179.1 | -162.7 | 153.3 | 0 | 0 | 0 | 111.5 | I300 R303 D310 L382 | I300-I306 HydrophobicContact CD1-CG2 4.16Å; R303-I306 WeakPolarHBondContact O-CB 3.36Å; R303-I306 WeakPolarHBondContact O-CG2 3.29Å; R303-I306 PolarHBondContact O-N 2.98Å; I306-D310 HydrophobicContact CD1-CB 4.44Å; I306-D310 HydrophobicContact CG1-CB 3.88Å; I306-L382 HydrophobicContact CG2-CB 3.87Å; I306-L382 HydrophobicContact CG2-CD2 3.93Å; I306-L382 VanDerWaalsContact O-CB 3.23Å; I306-L382 WeakPolarHBondContact O-CB 3.16Å; I306-L382 PolarHBondContact O-N 3.05Å | ||
| 307 | K | 98.4 | Very high | 95.7 | Very high | 49 Ų | 49 | 47.6 Ų | 47.6 | 21% | 0.213 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -110.3 | 168 | -176.6 | -70.4 | 159.8 | -179.8 | 173.7 | 0 | 111.4 | S309 D310 E378 E379 | K307-S309 VanDerWaalsContact C-N 3.31Å; K307-D310 WeakPolarHBondContact CB-OD2 3.48Å; K307-D310 PolarHBondContact N-OD2 2.84Å; K307-D310 PolarHBondContact O-N 2.83Å; K307-E378 IonicContact NZ-OE1 3.78Å; K307-E378 PolarHBondContact NZ-OE1 3.38Å; K307-E379 HydrophobicContact CB-CG 4.14Å; K307-E379 WeakPolarHBondContact CB-OE1 3.4Å; K307-E379 HydrophobicContact CD-CB 3.96Å; K307-E379 HydrophobicContact CD-CG 4.31Å; K307-E379 HydrophobicContact CG-CB 4.21Å; K307-E379 HydrophobicContact CG-CG 4.07Å |
| 308 | L | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -36.5 | 174.8 | 177.9 | 58.9 | 0 | 0 | 0 | 110.6 | D310 I311 F325 F345 S346 P347 I350 P361 E379 L385 | L308-D310 VanDerWaalsContact C-N 3.29Å; L308-D310 PolarHBondContact O-N 3.03Å; L308-I311 HydrophobicContact CD1-CD1 4.07Å; L308-I311 WeakPolarHBondContact O-CB 3.39Å; L308-I311 PolarHBondContact O-N 3.3Å; L308-F325 HydrophobicContact CD1-CD2 4.34Å; L308-F325 HydrophobicContact CD1-CE2 3.97Å; L308-F345 HydrophobicContact CD2-CB 4.1Å; L308-F345 HydrophobicContact CD2-CD1 4.35Å; L308-S346 WeakPolarHBondContact CD2-O 3.29Å; L308-P347 HydrophobicContact CD1-CG 4.37Å; L308-I350 HydrophobicContact CD2-CD1 3.93Å; L308-I350 HydrophobicContact CD2-CG1 4.08Å; L308-P361 HydrophobicContact CB-CB 4.26Å; L308-P361 HydrophobicContact CD2-CB 4.2Å; L308-P361 HydrophobicContact CD2-CG 4.35Å; L308-P361 HydrophobicContact CG-CB 4.3Å; L308-P361 HydrophobicContact CG-CG 4.42Å; L308-E379 PolarHBondContact N-OE1 3.19Å; L308-E379 VanDerWaalsContact N-OE1 3.14Å; L308-L385 HydrophobicContact CB-CD1 3.8Å; L308-L385 HydrophobicContact CD2-CD1 3.86Å; L308-L385 HydrophobicContact CG-CD1 4.38Å |
| 309 | S | 98.2 | Very high | 95.5 | Very high | 27 Ų | 27 | 46.6 Ų | 46.6 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -61.9 | -33.5 | 175.7 | 61.2 | 0 | 0 | 0 | 0 | 113.3 | K307 I311 Q312 E379 | K307-S309 VanDerWaalsContact C-N 3.31Å; S309-I311 PolarHBondContact O-N 3.44Å; S309-Q312 WeakPolarHBondContact O-CB 3.49Å; S309-Q312 WeakPolarHBondContact O-CG 3.47Å; S309-Q312 PolarHBondContact O-N 3Å; S309-E379 VanDerWaalsContact CB-OE2 3.26Å; S309-E379 WeakPolarHBondContact CB-OE2 3.47Å; S309-E379 PolarHBondContact N-OE1 2.86Å; S309-E379 VanDerWaalsContact OG-CD 3.27Å; S309-E379 PolarHBondContact OG-OE1 2.81Å; S309-E379 PolarHBondContact OG-OE2 3.44Å |
| 310 | D | 98.3 | Very high | 95.5 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -63.9 | -26.7 | 178.7 | -61.2 | -30.7 | 0 | 0 | 0 | 112.6 | I306 K307 L308 Q312 E313 | I306-D310 HydrophobicContact CD1-CB 4.44Å; I306-D310 HydrophobicContact CG1-CB 3.88Å; K307-D310 WeakPolarHBondContact CB-OD2 3.48Å; K307-D310 PolarHBondContact N-OD2 2.84Å; K307-D310 PolarHBondContact O-N 2.83Å; L308-D310 VanDerWaalsContact C-N 3.29Å; L308-D310 PolarHBondContact O-N 3.03Å; D310-Q312 PolarHBondContact O-N 3.06Å; D310-Q312 VanDerWaalsContact O-N 3.08Å; D310-E313 WeakPolarHBondContact O-CB 3.37Å; D310-E313 WeakPolarHBondContact O-CG 3.44Å; D310-E313 PolarHBondContact O-N 3.33Å; D310-E313 VanDerWaalsContact O-N 3.13Å |
| 311 | I | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -61.7 | -20 | 175.9 | -61.5 | -178.2 | 0 | 0 | 0 | 111.7 | Y234 L308 S309 E313 K314 P323 F325 P347 L382 | Y234-I311 HydrophobicContact CD1-CG2 3.89Å; Y234-I311 HydrophobicContact CG-CG2 4.21Å; L308-I311 HydrophobicContact CD1-CD1 4.07Å; L308-I311 WeakPolarHBondContact O-CB 3.39Å; L308-I311 PolarHBondContact O-N 3.3Å; S309-I311 PolarHBondContact O-N 3.44Å; I311-E313 PolarHBondContact O-N 3.18Å; I311-E313 VanDerWaalsContact O-N 3.09Å; I311-K314 WeakPolarHBondContact O-CB 3.23Å; I311-K314 PolarHBondContact O-N 3.11Å; I311-P323 HydrophobicContact CG2-CG 3.9Å; I311-F325 HydrophobicContact CD1-CZ 4.5Å; I311-P347 HydrophobicContact CB-CB 4.16Å; I311-P347 HydrophobicContact CB-CG 3.81Å; I311-P347 HydrophobicContact CG2-CB 4.34Å; I311-P347 HydrophobicContact CG2-CG 3.56Å; I311-L382 HydrophobicContact CD1-CD1 4.34Å; I311-L382 HydrophobicContact CD1-CD2 4.11Å |
| 312 | Q | 97 | Very high | 95.9 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -52.4 | -32.3 | 174.1 | -71.6 | 179.3 | 51.6 | 0 | 0 | 112.1 | S309 D310 K314 I315 N316 P347 Y348 | S309-Q312 WeakPolarHBondContact O-CB 3.49Å; S309-Q312 WeakPolarHBondContact O-CG 3.47Å; S309-Q312 PolarHBondContact O-N 3Å; D310-Q312 PolarHBondContact O-N 3.06Å; D310-Q312 VanDerWaalsContact O-N 3.08Å; Q312-K314 PolarHBondContact O-N 3.17Å; Q312-K314 VanDerWaalsContact O-N 3.13Å; Q312-I315 WeakPolarHBondContact O-CG1 3.38Å; Q312-I315 PolarHBondContact O-N 2.82Å; Q312-N316 WeakPolarHBondContact O-CB 3.17Å; Q312-N316 PolarHBondContact O-N 2.65Å; Q312-N316 PolarHBondContact O-ND2 2.93Å; Q312-N316 PolarHBondContact O-OD1 2.89Å; Q312-P347 VanDerWaalsContact CD-O 3.32Å; Q312-P347 HydrophobicContact CG-CB 3.65Å; Q312-P347 VanDerWaalsContact CG-O 3.27Å; Q312-P347 WeakPolarHBondContact CG-O 3.47Å; Q312-P347 PolarHBondContact NE2-O 2.9Å; Q312-Y348 HydrophobicContact CG-CD1 3.84Å; Q312-Y348 HydrophobicContact CG-CE1 3.87Å |
| 313 | E | 95.8 | Very high | 96.1 | Very high | 140 Ų | 140 | 40.2 Ų | 40.2 | 65% | 0.654 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -56.7 | -30 | 176 | -65.5 | -174.3 | 170.3 | 0 | 0 | 113.1 | D310 I311 Q319 | D310-E313 WeakPolarHBondContact O-CB 3.37Å; D310-E313 WeakPolarHBondContact O-CG 3.44Å; D310-E313 PolarHBondContact O-N 3.33Å; D310-E313 VanDerWaalsContact O-N 3.13Å; I311-E313 PolarHBondContact O-N 3.18Å; I311-E313 VanDerWaalsContact O-N 3.09Å; E313-Q319 PolarHBondContact O-NE2 3.23Å |
| 314 | K | 95.6 | Very high | 96.3 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 10% | 0.104 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -84.7 | -9 | -178.5 | -52.9 | -44 | -171.4 | 174.8 | 0 | 114.2 | Y234 H236 P237 F239 I311 Q312 Q319 | Y234-K314 HydrophobicContact CD1-CB 4.15Å; Y234-K314 WeakPolarHBondContact O-CG 3.34Å; H236-K314 WeakPolarHBondContact O-CE 3.41Å; H236-K314 PolarHBondContact O-NZ 3.22Å; P237-K314 PolarHBondContact O-NZ 3.34Å; F239-K314 HydrophobicContact CD1-CB 4.49Å; F239-K314 HydrophobicContact CD1-CG 4.42Å; F239-K314 WeakPolarHBondContact O-CD 3.19Å; F239-K314 WeakPolarHBondContact O-CE 3.28Å; F239-K314 PolarHBondContact O-NZ 3.43Å; I311-K314 WeakPolarHBondContact O-CB 3.23Å; I311-K314 PolarHBondContact O-N 3.11Å; Q312-K314 PolarHBondContact O-N 3.17Å; Q312-K314 VanDerWaalsContact O-N 3.13Å; K314-Q319 WeakPolarHBondContact O-CG 3.33Å; K314-Q319 PolarHBondContact O-NE2 2.95Å; K314-Q319 PolarHBondContact O-OE1 3.38Å |
| 315 | I | 95.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | -18.3 | -171.9 | 59.2 | 163.4 | 0 | 0 | 0 | 114.3 | F152 Y234 Q312 Q317 S318 P321 L322 P347 Y348 | F152-I315 HydrophobicContact CD2-CB 4.47Å; F152-I315 WeakPolarHBondContact CD2-O 3.43Å; F152-I315 HydrophobicContact CE2-CB 4.21Å; Y234-I315 HydrophobicContact CE1-CG2 4.09Å; Q312-I315 WeakPolarHBondContact O-CG1 3.38Å; Q312-I315 PolarHBondContact O-N 2.82Å; I315-Q317 PolarHBondContact O-N 2.73Å; I315-S318 VanDerWaalsContact O-CA 3.23Å; I315-S318 WeakPolarHBondContact O-CA 3.46Å; I315-S318 PolarHBondContact O-N 2.84Å; I315-P321 WeakPolarHBondContact CG2-O 3.47Å; I315-L322 HydrophobicContact CD1-CD1 3.33Å; I315-P347 HydrophobicContact CD1-CB 3.88Å; I315-P347 HydrophobicContact CD1-CG 3.83Å; I315-Y348 HydrophobicContact CD1-CE1 3.81Å; I315-Y348 HydrophobicContact CD1-CE2 3.9Å; I315-Y348 VanDerWaalsContact CD1-CZ 3.44Å; I315-Y348 WeakPolarHBondContact CD1-OH 3.38Å; I315-Y348 HydrophobicContact CG1-CE1 4.43Å |
| 316 | N | 91.9 | Very high | 96.7 | Very high | 89 Ų | 89 | 30.2 Ų | 30.2 | 48% | 0.476 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -32.9 | -177.2 | -80.2 | -11 | 0 | 0 | 0 | 112.3 | Q312 S318 Y348 | Q312-N316 WeakPolarHBondContact O-CB 3.17Å; Q312-N316 PolarHBondContact O-N 2.65Å; Q312-N316 PolarHBondContact O-ND2 2.93Å; Q312-N316 PolarHBondContact O-OD1 2.89Å; N316-S318 PolarHBondContact O-N 3.06Å; N316-Y348 WeakPolarHBondContact OD1-CE1 3.47Å; N316-Y348 PolarHBondContact OD1-OH 2.61Å |
| 317 | Q | 92.4 | Very high | 96.6 | Very high | 142 Ų | 142 | 29 Ų | 29 | 66% | 0.664 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 2.5 | 173.2 | -58 | -178.5 | -10.7 | 0 | 0 | 111.9 | R159 I315 Q319 | R159-Q317 PolarHBondContact NH1-O 3.2Å; R159-Q317 PolarHBondContact NH2-O 3.3Å; I315-Q317 PolarHBondContact O-N 2.73Å; Q317-Q319 VanDerWaalsContact C-N 3.32Å; Q317-Q319 VanDerWaalsContact C-OE1 3.26Å; Q317-Q319 VanDerWaalsContact CA-OE1 3.3Å; Q317-Q319 VanDerWaalsContact CB-OE1 3.28Å; Q317-Q319 VanDerWaalsContact N-OE1 3.08Å |
| 318 | S | 91.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.014 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 65.7 | 24.7 | -175 | -51.8 | 0 | 0 | 0 | 0 | 115.2 | T155 R156 R159 I315 N316 | T155-S318 VanDerWaalsContact CB-OG 3.32Å; T155-S318 WeakPolarHBondContact CB-OG 3.39Å; T155-S318 PolarHBondContact OG1-OG 3.27Å; R156-S318 VanDerWaalsContact CD-O 3.31Å; R156-S318 WeakPolarHBondContact CD-O 3.3Å; R156-S318 PolarHBondContact NH1-O 2.84Å; R159-S318 VanDerWaalsContact CD-O 3.3Å; R159-S318 WeakPolarHBondContact CD-O 3.28Å; R159-S318 PolarHBondContact NH1-O 2.79Å; I315-S318 VanDerWaalsContact O-CA 3.23Å; I315-S318 WeakPolarHBondContact O-CA 3.46Å; I315-S318 PolarHBondContact O-N 2.84Å; N316-S318 PolarHBondContact O-N 3.06Å |
| 319 | Q | 91.9 | Very high | 95.8 | Very high | 38 Ų | 38 | 27 Ų | 27 | 18% | 0.178 | 13% | 0.134 | C | C | . | . | trans | -77 | -30.4 | -172.4 | 66.2 | -83.3 | 37.7 | 0 | 0 | 112.5 | R156 P240 E313 K314 Q317 | R156-Q319 PolarHBondContact NH1-O 2.82Å; P240-Q319 HydrophobicContact CG-CB 4.16Å; P240-Q319 HydrophobicContact CG-CG 3.68Å; E313-Q319 PolarHBondContact O-NE2 3.23Å; K314-Q319 WeakPolarHBondContact O-CG 3.33Å; K314-Q319 PolarHBondContact O-NE2 2.95Å; K314-Q319 PolarHBondContact O-OE1 3.38Å; Q317-Q319 VanDerWaalsContact C-N 3.32Å; Q317-Q319 VanDerWaalsContact C-OE1 3.26Å; Q317-Q319 VanDerWaalsContact CA-OE1 3.3Å; Q317-Q319 VanDerWaalsContact CB-OE1 3.28Å; Q317-Q319 VanDerWaalsContact N-OE1 3.08Å | ||
| 320 | S | 97.1 | Very high | 95 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -121.3 | 159.2 | 173.9 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | F152 F239 | F152-S320 WeakPolarHBondContact CE2-O 3.24Å; F239-S320 VanDerWaalsContact CE1-OG 3.23Å; F239-S320 WeakPolarHBondContact CE1-OG 3.35Å; F239-S320 WeakPolarHBondContact CZ-OG 3.49Å |
| 321 | P | 98.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.013 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -56.2 | 155.8 | 168.2 | -23.1 | 34.3 | 0 | 0 | 0 | 111.8 | L214 A217 T218 V220 Y234 I315 P323 | L214-P321 HydrophobicContact CD1-CG 3.84Å; L214-P321 HydrophobicContact CG-CG 4.08Å; A217-P321 HydrophobicContact CB-CB 4.36Å; A217-P321 HydrophobicContact CB-CG 3.85Å; T218-P321 WeakPolarHBondContact O-CA 3.34Å; V220-P321 HydrophobicContact CG2-CB 3.71Å; V220-P321 HydrophobicContact CG2-CG 3.96Å; Y234-P321 WeakPolarHBondContact CE1-O 3.39Å; Y234-P321 PolarHBondContact OH-O 3.04Å; I315-P321 WeakPolarHBondContact CG2-O 3.47Å; P321-P323 VanDerWaalsContact O-CD 3.29Å; P321-P323 WeakPolarHBondContact O-CD 3.42Å |
| 322 | L | 98.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 120 | 175.1 | 178.2 | 69.9 | 0 | 0 | 0 | 109.3 | E149 F152 T218 Y219 V220 I315 L324 Y348 | E149-L322 HydrophobicContact CG-CD2 3.84Å; F152-L322 HydrophobicContact CD1-CB 4.07Å; F152-L322 HydrophobicContact CE1-CB 3.52Å; F152-L322 HydrophobicContact CE2-CB 4.48Å; F152-L322 HydrophobicContact CZ-CB 3.76Å; F152-L322 VanDerWaalsContact CZ-N 3.35Å; T218-L322 PolarHBondContact O-N 3.19Å; Y219-L322 WeakPolarHBondContact CA-O 3.5Å; Y219-L322 HydrophobicContact CD1-CB 3.89Å; Y219-L322 HydrophobicContact CD1-CD2 4.03Å; Y219-L322 HydrophobicContact CD1-CG 4.36Å; Y219-L322 HydrophobicContact CE1-CB 4.23Å; Y219-L322 HydrophobicContact CE1-CD2 3.72Å; V220-L322 PolarHBondContact N-O 3.43Å; I315-L322 HydrophobicContact CD1-CD1 3.33Å; L322-L324 HydrophobicContact CD2-CD2 3.91Å; L322-L324 HydrophobicContact CG-CD2 4.09Å; L322-Y348 HydrophobicContact CD1-CD2 3.89Å; L322-Y348 HydrophobicContact CD1-CE2 3.67Å |
| 323 | P | 98.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 132.1 | 174.4 | 31.1 | -34 | 0 | 0 | 0 | 110.4 | V220 M230 Y234 I311 P321 F325 P347 | V220-P323 CarbonylContact O-C 3.59Å; V220-P323 VanDerWaalsContact O-CA 3.32Å; V220-P323 WeakPolarHBondContact O-CA 3.44Å; M230-P323 HydrophobicContact CE-CB 3.81Å; Y234-P323 HydrophobicContact CD1-CB 4.3Å; Y234-P323 HydrophobicContact CD1-CG 3.79Å; Y234-P323 HydrophobicContact CD2-CB 4.2Å; Y234-P323 HydrophobicContact CE1-CB 4.12Å; Y234-P323 HydrophobicContact CE1-CG 3.79Å; Y234-P323 HydrophobicContact CE2-CB 4.02Å; Y234-P323 HydrophobicContact CG-CB 4.34Å; Y234-P323 HydrophobicContact CG-CG 4.17Å; I311-P323 HydrophobicContact CG2-CG 3.9Å; P321-P323 VanDerWaalsContact O-CD 3.29Å; P321-P323 WeakPolarHBondContact O-CD 3.42Å; P323-F325 HydrophobicContact CB-CE2 3.77Å; P323-F325 HydrophobicContact CB-CZ 3.84Å; P323-F325 HydrophobicContact CG-CE2 4.21Å; P323-F325 HydrophobicContact CG-CZ 4.47Å; P323-P347 HydrophobicContact CG-CG 3.78Å; P323-P347 WeakPolarHBondContact O-CD 3.4Å |
| 324 | L | 98.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 128.5 | 177.4 | -58.5 | 176.6 | 0 | 0 | 0 | 109.4 | Y219 V220 A221 G222 M230 L322 F345 L553 I554 | Y219-L324 HydrophobicContact CD1-CD1 3.75Å; Y219-L324 HydrophobicContact CD1-CG 4.26Å; Y219-L324 HydrophobicContact CE1-CD1 4.39Å; Y219-L324 HydrophobicContact CG-CD1 4.17Å; V220-L324 PolarHBondContact O-N 3.29Å; A221-L324 CarbonylContact C-O 3.55Å; A221-L324 VanDerWaalsContact CA-O 3.29Å; A221-L324 WeakPolarHBondContact CA-O 3.23Å; A221-L324 HydrophobicContact CB-CB 4.26Å; G222-L324 PolarHBondContact N-O 2.7Å; M230-L324 WeakPolarHBondContact CE-O 3.32Å; L322-L324 HydrophobicContact CD2-CD2 3.91Å; L322-L324 HydrophobicContact CG-CD2 4.09Å; L324-F345 WeakPolarHBondContact CA-O 3.44Å; L324-L553 HydrophobicContact CB-CB 4.41Å; L324-L553 HydrophobicContact CB-CD1 3.88Å; L324-L553 HydrophobicContact CD1-CB 4.38Å; L324-I554 HydrophobicContact CD1-CG2 4.49Å |
| 325 | F | 98.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 162.9 | 179.2 | -41.4 | -102.9 | 0 | 0 | 0 | 109.8 | T227 M230 L308 I311 P323 F345 W389 | T227-F325 HydrophobicContact CG2-CB 4.27Å; T227-F325 HydrophobicContact CG2-CD1 3.85Å; M230-F325 HydrophobicContact CB-CD1 4.46Å; M230-F325 HydrophobicContact CB-CE1 3.57Å; M230-F325 HydrophobicContact CB-CZ 4.17Å; M230-F325 HydrophobicContact CE-CD1 3.96Å; M230-F325 HydrophobicContact CE-CE1 3.72Å; M230-F325 HydrophobicContact CE-CG 4.5Å; M230-F325 HydrophobicContact CE-CZ 4.02Å; M230-F325 HydrophobicContact SD-CD1 4.47Å; M230-F325 HydrophobicContact SD-CE1 4.33Å; L308-F325 HydrophobicContact CD1-CD2 4.34Å; L308-F325 HydrophobicContact CD1-CE2 3.97Å; I311-F325 HydrophobicContact CD1-CZ 4.5Å; P323-F325 HydrophobicContact CB-CE2 3.77Å; P323-F325 HydrophobicContact CB-CZ 3.84Å; P323-F325 HydrophobicContact CG-CE2 4.21Å; P323-F325 HydrophobicContact CG-CZ 4.47Å; F325-F345 HydrophobicContact CB-CB 4.07Å; F325-F345 HydrophobicContact CD2-CB 4.45Å; F325-F345 PolarHBondContact N-O 3.17Å; F325-F345 PolarHBondContact O-N 2.83Å; F325-W389 HydrophobicContact CB-CD2 3.92Å; F325-W389 VanDerWaalsContact CB-CE2 3.46Å; F325-W389 HydrophobicContact CB-CE3 4.26Å; F325-W389 HydrophobicContact CB-CH2 3.82Å; F325-W389 HydrophobicContact CB-CZ2 3.42Å; F325-W389 VanDerWaalsContact CB-CZ2 3.42Å; F325-W389 HydrophobicContact CB-CZ3 4.22Å; F325-W389 HydrophobicContact CD1-CD2 4.43Å; F325-W389 AromaticContact CD1-CE3 3.93Å; F325-W389 HydrophobicContact CD1-CE3 3.93Å; F325-W389 AromaticContact CD1-CH2 3.73Å; F325-W389 HydrophobicContact CD1-CH2 3.73Å; F325-W389 HydrophobicContact CD1-CZ2 4.24Å; F325-W389 AromaticContact CD1-CZ3 3.56Å; F325-W389 HydrophobicContact CD1-CZ3 3.56Å; F325-W389 AromaticContact CD2-CH2 3.79Å; F325-W389 HydrophobicContact CD2-CH2 3.79Å; F325-W389 HydrophobicContact CD2-CZ2 4.03Å; F325-W389 HydrophobicContact CD2-CZ3 4.45Å; F325-W389 HydrophobicContact CE1-CH2 4.14Å; F325-W389 AromaticContact CE1-CZ3 3.89Å; F325-W389 HydrophobicContact CE1-CZ3 3.89Å; F325-W389 HydrophobicContact CE2-CH2 4.23Å; F325-W389 HydrophobicContact CG-CD2 4.43Å; F325-W389 HydrophobicContact CG-CE3 4.29Å; F325-W389 AromaticContact CG-CH2 3.52Å; F325-W389 HydrophobicContact CG-CH2 3.52Å; F325-W389 AromaticContact CG-CZ2 3.67Å; F325-W389 HydrophobicContact CG-CZ2 3.67Å; F325-W389 AromaticContact CG-CZ3 3.85Å; F325-W389 HydrophobicContact CG-CZ3 3.85Å; F325-W389 HydrophobicContact CZ-CH2 4.39Å; F325-W389 HydrophobicContact CZ-CZ3 4.5Å |
| 326 | T | 98.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 149.4 | -177.9 | -173.7 | 0 | 0 | 0 | 0 | 113.6 | L223 W342 V343 S543 P550 L553 | L223-T326 HydrophobicContact CB-CG2 3.56Å; L223-T326 HydrophobicContact CD2-CG2 4.45Å; T326-W342 HydrophobicContact CG2-CE3 4.07Å; T326-W342 HydrophobicContact CG2-CZ3 3.8Å; T326-W342 VanDerWaalsContact OG1-CE3 3.23Å; T326-V343 VanDerWaalsContact CA-O 3.28Å; T326-V343 WeakPolarHBondContact CA-O 3.27Å; T326-V343 PolarHBondContact OG1-O 3.18Å; T326-S543 PolarHBondContact OG1-OG 3.06Å; T326-P550 HydrophobicContact CG2-CB 4.33Å; T326-L553 HydrophobicContact CG2-CD1 3.97Å; T326-L553 HydrophobicContact CG2-CG 4.33Å |
| 327 | C | 96.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 174.9 | 160.5 | 78.6 | 0 | 0 | 0 | 0 | 109.1 | V343 F345 V388 V541 S543 | C327-V343 PolarHBondContact N-O 2.73Å; C327-V343 VanDerWaalsContact N-O 3.15Å; C327-V343 PolarHBondContact O-N 3.17Å; C327-F345 HydrophobicContact CB-CE2 4.1Å; C327-F345 WeakPolarHBondContact SG-CE2 3.46Å; C327-V388 HydrophobicContact CB-CG1 3.86Å; C327-V541 CarbonylContact C-O 3.45Å; C327-V541 WeakPolarHBondContact CA-O 3.28Å; C327-V541 VanDerWaalsContact CB-O 3.27Å; C327-V541 WeakPolarHBondContact CB-O 3.48Å; C327-S543 WeakPolarHBondContact CA-OG 3.31Å |
| 328 | L | 91.4 | Very high | 82 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 140.4 | 171.2 | -69 | 170.8 | 0 | 0 | 0 | 110.1 | A340 W342 V540 V541 T546 | L328-A340 HydrophobicContact CB-CB 4.11Å; L328-A340 HydrophobicContact CD1-CB 4.24Å; L328-A340 HydrophobicContact CD2-CB 4.01Å; L328-A340 HydrophobicContact CG-CB 4.34Å; L328-W342 HydrophobicContact CD2-CB 4.47Å; L328-W342 HydrophobicContact CD2-CD2 3.61Å; L328-W342 HydrophobicContact CD2-CE3 4.33Å; L328-W342 HydrophobicContact CD2-CG 3.69Å; L328-W342 HydrophobicContact CD2-CZ2 4.13Å; L328-V540 CarbonylContact O-C 3.56Å; L328-V540 VanDerWaalsContact O-CA 3.25Å; L328-V540 WeakPolarHBondContact O-CA 3.34Å; L328-V541 HydrophobicContact CB-CG2 4.03Å; L328-V541 PolarHBondContact N-O 3.44Å; L328-V541 PolarHBondContact O-N 2.86Å; L328-T546 WeakPolarHBondContact CD1-OG1 3.47Å |
| 329 | H | 89.2 | Confident | 80.9 | Confident | 7 Ų | 7 | 22.6 Ų | 22.6 | 3% | 0.032 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 118.8 | 157.8 | 170.2 | 54.1 | 0 | 0 | 0 | 110.3 | A340 D341 V343 M352 L531 H539 | H329-A340 WeakPolarHBondContact O-CB 3.47Å; H329-D341 HydrophobicContact CB-CB 4.45Å; H329-D341 PolarHBondContact N-O 3.03Å; H329-D341 PolarHBondContact O-N 2.7Å; H329-D341 VanDerWaalsContact O-N 3.1Å; H329-V343 HydrophobicContact CB-CG2 4.11Å; H329-M352 HydrophobicContact CB-CE 3.57Å; H329-L531 WeakPolarHBondContact CD2-CD1 3.35Å; H329-L531 WeakPolarHBondContact NE2-CD1 3.27Å; H329-H539 VanDerWaalsContact CA-O 3.31Å; H329-H539 WeakPolarHBondContact CA-O 3.41Å; H329-H539 PolarHBondContact ND1-O 3.1Å |
| 330 | V | 81 | Confident | 80.2 | Confident | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123.2 | 177.2 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | L337 P421 V425 H539 V541 | V330-L337 HydrophobicContact CG1-CD2 4.16Å; V330-L337 HydrophobicContact CG2-CD2 3.82Å; V330-P421 HydrophobicContact CG1-CB 4.07Å; V330-V425 HydrophobicContact CB-CG1 4.28Å; V330-V425 HydrophobicContact CG1-CG1 3.93Å; V330-H539 PolarHBondContact N-O 2.81Å; V330-V541 HydrophobicContact CG2-CG2 3.41Å; V330-V541 VanDerWaalsContact CG2-CG2 3.41Å |
| 331 | K | 72 | Confident | 79.7 | Confident | 14 Ų | 14 | 21.1 Ų | 21.1 | 6% | 0.061 | 12% | 0.12 | C | C | . | . | P | Polyproline II helix | trans | -84.7 | 144.2 | 173.9 | -65.4 | 177.6 | -170.9 | 165.3 | 0 | 110.4 | V334 D341 Y355 E529 | K331-V334 HydrophobicContact CB-CB 4.2Å; K331-V334 HydrophobicContact CB-CG2 3.57Å; K331-V334 HydrophobicContact CD-CG2 3.87Å; K331-V334 HydrophobicContact CG-CG2 4.29Å; K331-D341 WeakPolarHBondContact CE-OD2 3.25Å; K331-D341 IonicContact NZ-OD1 2.62Å; K331-D341 IonicContact NZ-OD2 2.61Å; K331-D341 PolarHBondContact NZ-OD2 3.29Å; K331-Y355 PolarHBondContact NZ-OH 3Å; K331-E529 PolarHBondContact NZ-O 3.28Å |
| 332 | P | 62.6 | Low | 79.3 | Confident | 63 Ų | 63 | 22.3 Ų | 22.3 | 41% | 0.409 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -36.7 | -178.8 | 24.9 | -32.2 | 0 | 0 | 0 | 114.2 | V334 V425 | P332-V334 VanDerWaalsContact C-N 3.34Å; P332-V334 PolarHBondContact O-N 3.42Å; P332-V425 HydrophobicContact CB-CB 4.28Å; P332-V425 HydrophobicContact CB-CG2 4.07Å |
| 333 | D | 58.4 | Low | 79.2 | Confident | 122 Ų | 122 | 22.3 Ų | 22.3 | 65% | 0.652 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 8.6 | -171.8 | -57.2 | -50.1 | 0 | 0 | 0 | 114.6 | R526 | D333-R526 PolarHBondContact O-NH1 3.42Š|
| 334 | V | 58.8 | Low | 79.2 | Confident | 10 Ų | 10 | 22.7 Ų | 22.7 | 6% | 0.061 | 13% | 0.125 | C | C | . | . | trans | -94.6 | 130.6 | -176.4 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | K331 P332 E336 F339 P421 | K331-V334 HydrophobicContact CB-CB 4.2Å; K331-V334 HydrophobicContact CB-CG2 3.57Å; K331-V334 HydrophobicContact CD-CG2 3.87Å; K331-V334 HydrophobicContact CG-CG2 4.29Å; P332-V334 VanDerWaalsContact C-N 3.34Å; P332-V334 PolarHBondContact O-N 3.42Å; V334-E336 WeakPolarHBondContact CG1-O 3Å; V334-F339 HydrophobicContact CG1-CB 3.69Å; V334-F339 HydrophobicContact CG1-CD2 3.99Å; V334-F339 HydrophobicContact CG1-CG 4.35Å; V334-P421 VanDerWaalsContact O-CB 3.24Å; V334-P421 WeakPolarHBondContact O-CB 3.33Å; V334-P421 VanDerWaalsContact O-CG 3.24Å; V334-P421 WeakPolarHBondContact O-CG 2.97Å | ||
| 335 | S | 52.7 | Low | 79.2 | Confident | 79 Ų | 79 | 22.7 Ų | 22.7 | 55% | 0.552 | 13% | 0.125 | S | C | * | . | S | Bend | trans | -75.1 | -25.5 | -178.7 | 48.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 336 | E | 60.6 | Low | 79.2 | Confident | 81 Ų | 81 | 22.7 Ų | 22.7 | 38% | 0.379 | 13% | 0.126 | S | C | . | . | trans | -135.8 | 139.2 | -176.9 | -57.8 | -168.4 | 164 | 0 | 0 | 114 | V334 M338 F339 | V334-E336 WeakPolarHBondContact CG1-O 3Å; E336-M338 PolarHBondContact O-N 3.46Å; E336-F339 HydrophobicContact CB-CD2 3.74Å; E336-F339 HydrophobicContact CB-CE2 3.72Å; E336-F339 HydrophobicContact CG-CD2 4.47Å; E336-F339 HydrophobicContact CG-CE2 4.01Å; E336-F339 PolarHBondContact O-N 3.29Å; E336-F339 VanDerWaalsContact O-N 3.11Å | ||
| 337 | L | 66 | Low | 79.2 | Confident | 16 Ų | 16 | 22.7 Ų | 22.7 | 8% | 0.084 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -62.6 | -24.5 | 177.6 | -70.8 | 162 | 0 | 0 | 0 | 113 | V330 F339 A340 P421 I424 L545 T546 | V330-L337 HydrophobicContact CG1-CD2 4.16Å; V330-L337 HydrophobicContact CG2-CD2 3.82Å; L337-F339 PolarHBondContact O-N 3.49Å; L337-A340 WeakPolarHBondContact O-CB 3.31Å; L337-A340 PolarHBondContact O-N 3.11Å; L337-P421 HydrophobicContact CD2-CG 4.23Å; L337-P421 HydrophobicContact CG-CG 4.06Å; L337-I424 HydrophobicContact CD2-CD1 4.11Å; L337-L545 HydrophobicContact CD1-CB 4.14Å; L337-T546 PolarHBondContact O-OG1 3.22Å |
| 338 | M | 60.8 | Low | 79.3 | Confident | 27 Ų | 27 | 23.2 Ų | 23.2 | 13% | 0.133 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -57.7 | -20.6 | 174.7 | -166.4 | 178.1 | 58.2 | 0 | 0 | 113.3 | E336 F524 T546 K588 M592 | E336-M338 PolarHBondContact O-N 3.46Å; M338-F524 HydrophobicContact CE-CE1 4.36Å; M338-T546 HydrophobicContact CB-CG2 4.46Å; M338-K588 HydrophobicContact SD-CD 4.07Å; M338-M592 HydrophobicContact CE-CE 3.73Å; M338-M592 HydrophobicContact CE-SD 3.81Å; M338-M592 HydrophobicContact SD-CE 4.38Å; M338-M592 HydrophobicContact SD-SD 3.95Å |
| 339 | F | 66.8 | Low | 79.6 | Confident | 10 Ų | 10 | 23.6 Ų | 23.6 | 4% | 0.044 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -98.6 | 4.9 | 177.9 | -48.3 | -49.6 | 0 | 0 | 0 | 113.9 | V334 E336 L337 F524 I527 M592 | V334-F339 HydrophobicContact CG1-CB 3.69Å; V334-F339 HydrophobicContact CG1-CD2 3.99Å; V334-F339 HydrophobicContact CG1-CG 4.35Å; E336-F339 HydrophobicContact CB-CD2 3.74Å; E336-F339 HydrophobicContact CB-CE2 3.72Å; E336-F339 HydrophobicContact CG-CD2 4.47Å; E336-F339 HydrophobicContact CG-CE2 4.01Å; E336-F339 PolarHBondContact O-N 3.29Å; E336-F339 VanDerWaalsContact O-N 3.11Å; L337-F339 PolarHBondContact O-N 3.49Å; F339-F524 HydrophobicContact CE1-CD1 4.09Å; F339-F524 HydrophobicContact CZ-CD1 4.17Å; F339-I527 HydrophobicContact CD1-CB 4.21Å; F339-I527 HydrophobicContact CD1-CD1 4.44Å; F339-I527 HydrophobicContact CD1-CG1 3.47Å; F339-I527 VanDerWaalsContact CD1-CG1 3.47Å; F339-I527 HydrophobicContact CD1-CG2 4.17Å; F339-I527 HydrophobicContact CE1-CD1 4.12Å; F339-I527 HydrophobicContact CE1-CG1 3.46Å; F339-I527 VanDerWaalsContact CE1-CG1 3.46Å; F339-I527 HydrophobicContact CG-CG1 4.4Å; F339-I527 HydrophobicContact CZ-CG1 4.42Å; F339-M592 HydrophobicContact CD1-CE 4.06Å; F339-M592 HydrophobicContact CE1-CE 3.6Å |
| 340 | A | 78.6 | Confident | 80.1 | Confident | 7 Ų | 7 | 23.3 Ų | 23.3 | 6% | 0.058 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 148.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | L328 H329 L337 | L328-A340 HydrophobicContact CB-CB 4.11Å; L328-A340 HydrophobicContact CD1-CB 4.24Å; L328-A340 HydrophobicContact CD2-CB 4.01Å; L328-A340 HydrophobicContact CG-CB 4.34Å; H329-A340 WeakPolarHBondContact O-CB 3.47Å; L337-A340 WeakPolarHBondContact O-CB 3.31Å; L337-A340 PolarHBondContact O-N 3.11Å |
| 341 | D | 84.8 | Confident | 80.8 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 128.9 | -179.9 | -67.9 | -40.2 | 0 | 0 | 0 | 109.9 | H329 K331 M352 K354 Y355 | H329-D341 HydrophobicContact CB-CB 4.45Å; H329-D341 PolarHBondContact N-O 3.03Å; H329-D341 PolarHBondContact O-N 2.7Å; H329-D341 VanDerWaalsContact O-N 3.1Å; K331-D341 WeakPolarHBondContact CE-OD2 3.25Å; K331-D341 IonicContact NZ-OD1 2.62Å; K331-D341 IonicContact NZ-OD2 2.61Å; K331-D341 PolarHBondContact NZ-OD2 3.29Å; D341-M352 HydrophobicContact CB-SD 4.43Å; D341-K354 WeakPolarHBondContact OD1-CD 3.4Å; D341-K354 WeakPolarHBondContact OD1-CE 3.23Å; D341-K354 IonicContact OD1-NZ 2.73Å; D341-K354 PolarHBondContact OD1-NZ 3.42Å; D341-Y355 HydrophobicContact CB-CE2 4.41Å; D341-Y355 VanDerWaalsContact CG-OH 3.23Å; D341-Y355 PolarHBondContact OD1-OH 2.77Å; D341-Y355 WeakPolarHBondContact OD2-CE2 3.32Å; D341-Y355 PolarHBondContact OD2-OH 3.26Å |
| 342 | W | 91.7 | Very high | 81.8 | Confident | 26 Ų | 26 | 22.5 Ų | 22.5 | 10% | 0.098 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 130.8 | 178.2 | -69.3 | 68 | 0 | 0 | 0 | 110.7 | L223 T326 L328 T546 Y547 P552 W589 | L223-W342 HydrophobicContact CD2-CH2 4.3Å; L223-W342 HydrophobicContact CD2-CZ3 4.28Å; T326-W342 HydrophobicContact CG2-CE3 4.07Å; T326-W342 HydrophobicContact CG2-CZ3 3.8Å; T326-W342 VanDerWaalsContact OG1-CE3 3.23Å; L328-W342 HydrophobicContact CD2-CB 4.47Å; L328-W342 HydrophobicContact CD2-CD2 3.61Å; L328-W342 HydrophobicContact CD2-CE3 4.33Å; L328-W342 HydrophobicContact CD2-CG 3.69Å; L328-W342 HydrophobicContact CD2-CZ2 4.13Å; W342-T546 HydrophobicContact CZ2-CG2 4.26Å; W342-Y547 HydrophobicContact CH2-CE1 4.44Å; W342-Y547 HydrophobicContact CH2-CE2 4.17Å; W342-Y547 HydrophobicContact CZ2-CD1 4.34Å; W342-Y547 AromaticContact CZ2-CE1 3.7Å; W342-Y547 HydrophobicContact CZ2-CE1 3.7Å; W342-Y547 HydrophobicContact CZ2-CE2 4.2Å; W342-Y547 AromaticContact CZ2-CZ 3.62Å; W342-P552 HydrophobicContact CB-CB 4.2Å; W342-P552 HydrophobicContact CD2-CB 3.69Å; W342-P552 HydrophobicContact CD2-CG 3.45Å; W342-P552 VanDerWaalsContact CD2-CG 3.45Å; W342-P552 HydrophobicContact CE3-CB 3.75Å; W342-P552 HydrophobicContact CE3-CG 3.6Å; W342-P552 HydrophobicContact CG-CB 3.86Å; W342-P552 HydrophobicContact CG-CG 3.99Å; W342-P552 HydrophobicContact CH2-CG 4Å; W342-P552 HydrophobicContact CZ2-CG 3.85Å; W342-P552 HydrophobicContact CZ3-CB 4.41Å; W342-P552 HydrophobicContact CZ3-CG 3.88Å; W342-W589 AromaticContact CD1-NE1 3.97Å; W342-W589 AromaticContact NE1-NE1 3.64Å |
| 343 | V | 96.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.1 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | T326 C327 H329 F345 I350 G351 M352 | T326-V343 VanDerWaalsContact CA-O 3.28Å; T326-V343 WeakPolarHBondContact CA-O 3.27Å; T326-V343 PolarHBondContact OG1-O 3.18Å; C327-V343 PolarHBondContact N-O 2.73Å; C327-V343 VanDerWaalsContact N-O 3.15Å; C327-V343 PolarHBondContact O-N 3.17Å; H329-V343 HydrophobicContact CB-CG2 4.11Å; V343-F345 HydrophobicContact CB-CE2 3.88Å; V343-F345 HydrophobicContact CB-CZ 4.38Å; V343-F345 HydrophobicContact CG1-CD2 4.32Å; V343-F345 HydrophobicContact CG1-CE2 3.57Å; V343-F345 HydrophobicContact CG1-CZ 3.75Å; V343-F345 WeakPolarHBondContact O-CD2 3.22Å; V343-F345 WeakPolarHBondContact O-CE2 3.46Å; V343-I350 HydrophobicContact CG1-CG2 3.99Å; V343-G351 CarbonylContact C-O 3.57Å; V343-G351 WeakPolarHBondContact CA-O 3.46Å; V343-M352 HydrophobicContact CG2-CE 3.72Å; V343-M352 HydrophobicContact CG2-CG 3.98Å |
| 344 | E | 97.9 | Very high | 84.3 | Confident | 8 Ų | 8 | 18.7 Ų | 18.7 | 4% | 0.037 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 144.3 | 176.4 | 66.1 | 174.6 | 137.4 | 0 | 0 | 111.7 | I350 G351 A353 F358 L553 R556 R559 | E344-I350 CarbonylContact O-C 3.57Å; E344-I350 VanDerWaalsContact O-CA 3.28Å; E344-I350 WeakPolarHBondContact O-CA 3.17Å; E344-G351 PolarHBondContact N-O 2.84Å; E344-G351 PolarHBondContact O-N 2.75Å; E344-A353 WeakPolarHBondContact OE1-CB 3.18Å; E344-F358 HydrophobicContact CG-CE1 3.7Å; E344-F358 HydrophobicContact CG-CZ 4.47Å; E344-F358 WeakPolarHBondContact OE1-CE1 3.37Å; E344-F358 WeakPolarHBondContact OE1-CZ 3.41Å; E344-L553 HydrophobicContact CB-CD2 3.36Å; E344-R556 WeakPolarHBondContact OE1-CD 3.37Å; E344-R556 IonicContact OE1-CZ 3.53Å; E344-R556 IonicContact OE1-NE 3.42Å; E344-R556 IonicContact OE1-NH1 2.8Å; E344-R556 PolarHBondContact OE1-NH1 3.06Å; E344-R556 IonicContact OE2-NH1 3.66Å; E344-R559 IonicContact OE2-CZ 3.61Å; E344-R559 IonicContact OE2-NH1 2.8Å; E344-R559 PolarHBondContact OE2-NH1 2.92Å; E344-R559 IonicContact OE2-NH2 2.7Å; E344-R559 PolarHBondContact OE2-NH2 3.12Å |
| 345 | F | 98.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130.4 | 178.8 | -60.1 | -108 | 0 | 0 | 0 | 108.8 | L308 L324 F325 C327 V343 I350 F364 L385 W389 | L308-F345 HydrophobicContact CD2-CB 4.1Å; L308-F345 HydrophobicContact CD2-CD1 4.35Å; L324-F345 WeakPolarHBondContact CA-O 3.44Å; F325-F345 HydrophobicContact CB-CB 4.07Å; F325-F345 HydrophobicContact CD2-CB 4.45Å; F325-F345 PolarHBondContact N-O 3.17Å; F325-F345 PolarHBondContact O-N 2.83Å; C327-F345 HydrophobicContact CB-CE2 4.1Å; C327-F345 WeakPolarHBondContact SG-CE2 3.46Å; V343-F345 HydrophobicContact CB-CE2 3.88Å; V343-F345 HydrophobicContact CB-CZ 4.38Å; V343-F345 HydrophobicContact CG1-CD2 4.32Å; V343-F345 HydrophobicContact CG1-CE2 3.57Å; V343-F345 HydrophobicContact CG1-CZ 3.75Å; V343-F345 WeakPolarHBondContact O-CD2 3.22Å; V343-F345 WeakPolarHBondContact O-CE2 3.46Å; F345-I350 HydrophobicContact CB-CG1 4.31Å; F345-I350 HydrophobicContact CD1-CB 4.26Å; F345-I350 HydrophobicContact CD1-CD1 3.52Å; F345-I350 HydrophobicContact CD1-CG1 3.61Å; F345-I350 HydrophobicContact CD1-CG2 3.64Å; F345-I350 HydrophobicContact CE1-CD1 3.91Å; F345-I350 HydrophobicContact CE1-CG1 4.26Å; F345-I350 HydrophobicContact CE1-CG2 3.59Å; F345-I350 HydrophobicContact CG-CG1 4.22Å; F345-I350 HydrophobicContact CG-CG2 4.15Å; F345-I350 HydrophobicContact CZ-CG2 4.07Å; F345-F364 HydrophobicContact CE1-CD1 4.31Å; F345-F364 HydrophobicContact CE1-CD2 4.29Å; F345-F364 AromaticContact CE1-CE1 3.99Å; F345-F364 HydrophobicContact CE1-CE1 3.99Å; F345-F364 HydrophobicContact CE1-CE2 4Å; F345-F364 HydrophobicContact CE1-CG 4.46Å; F345-F364 AromaticContact CE1-CZ 3.85Å; F345-F364 HydrophobicContact CE1-CZ 3.85Å; F345-F364 HydrophobicContact CZ-CE1 4.45Å; F345-F364 HydrophobicContact CZ-CE2 4.07Å; F345-F364 AromaticContact CZ-CZ 3.91Å; F345-F364 HydrophobicContact CZ-CZ 3.91Å; F345-L385 HydrophobicContact CD1-CD1 4.48Å; F345-L385 HydrophobicContact CD1-CD2 4.38Å; F345-L385 HydrophobicContact CE1-CD2 3.98Å; F345-W389 HydrophobicContact CB-CZ2 3.85Å; F345-W389 HydrophobicContact CD1-CZ2 4.02Å; F345-W389 HydrophobicContact CD2-CZ2 4.48Å; F345-W389 AromaticContact CD2-NE1 3.41Å; F345-W389 AromaticContact CE2-NE1 3.61Å; F345-W389 AromaticContact CG-CZ2 3.88Å; F345-W389 HydrophobicContact CG-CZ2 3.88Å; F345-W389 AromaticContact CG-NE1 3.66Å |
| 346 | S | 98.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.007 | 8% | 0.075 | C | C | . | . | trans | -136.7 | 164.9 | 168.5 | 69.8 | 0 | 0 | 0 | 0 | 108.8 | L308 Y348 E349 | L308-S346 WeakPolarHBondContact CD2-O 3.29Å; S346-Y348 PolarHBondContact O-N 3.47Å; S346-Y348 PolarHBondContact OG-N 2.9Å; S346-E349 PolarHBondContact N-O 3.41Å; S346-E349 PolarHBondContact OG-N 3.49Å; S346-E349 PolarHBondContact OG-O 3.25Å | ||
| 347 | P | 98.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -59.2 | -15.5 | 171.9 | -25 | 35.9 | 0 | 0 | 0 | 113.9 | L308 I311 Q312 I315 P323 | L308-P347 HydrophobicContact CD1-CG 4.37Å; I311-P347 HydrophobicContact CB-CB 4.16Å; I311-P347 HydrophobicContact CB-CG 3.81Å; I311-P347 HydrophobicContact CG2-CB 4.34Å; I311-P347 HydrophobicContact CG2-CG 3.56Å; Q312-P347 VanDerWaalsContact CD-O 3.32Å; Q312-P347 HydrophobicContact CG-CB 3.65Å; Q312-P347 VanDerWaalsContact CG-O 3.27Å; Q312-P347 WeakPolarHBondContact CG-O 3.47Å; Q312-P347 PolarHBondContact NE2-O 2.9Å; I315-P347 HydrophobicContact CD1-CB 3.88Å; I315-P347 HydrophobicContact CD1-CG 3.83Å; P323-P347 HydrophobicContact CG-CG 3.78Å; P323-P347 WeakPolarHBondContact O-CD 3.4Å |
| 348 | Y | 98.5 | Very high | 90.3 | Very high | 11 Ų | 11 | 10.4 Ų | 10.4 | 4% | 0.043 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -97.1 | -40.8 | -178.3 | -59.8 | -38.3 | 0 | 0 | 0 | 114.4 | K148 E149 F152 Q312 I315 N316 L322 S346 P361 | K148-Y348 HydrophobicContact CB-CD1 3.73Å; K148-Y348 HydrophobicContact CB-CD2 3.9Å; K148-Y348 HydrophobicContact CB-CE1 4.08Å; K148-Y348 HydrophobicContact CB-CE2 4.24Å; K148-Y348 HydrophobicContact CB-CG 3.63Å; K148-Y348 HydrophobicContact CD-CD1 3.54Å; K148-Y348 HydrophobicContact CD-CE1 4.11Å; K148-Y348 HydrophobicContact CD-CG 4.09Å; K148-Y348 HydrophobicContact CG-CD1 4.28Å; E149-Y348 HydrophobicContact CB-CD2 4.19Å; F152-Y348 HydrophobicContact CB-CE2 3.9Å; F152-Y348 HydrophobicContact CG-CE2 4.32Å; Q312-Y348 HydrophobicContact CG-CD1 3.84Å; Q312-Y348 HydrophobicContact CG-CE1 3.87Å; I315-Y348 HydrophobicContact CD1-CE1 3.81Å; I315-Y348 HydrophobicContact CD1-CE2 3.9Å; I315-Y348 VanDerWaalsContact CD1-CZ 3.44Å; I315-Y348 WeakPolarHBondContact CD1-OH 3.38Å; I315-Y348 HydrophobicContact CG1-CE1 4.43Å; N316-Y348 WeakPolarHBondContact OD1-CE1 3.47Å; N316-Y348 PolarHBondContact OD1-OH 2.61Å; L322-Y348 HydrophobicContact CD1-CD2 3.89Å; L322-Y348 HydrophobicContact CD1-CE2 3.67Å; S346-Y348 PolarHBondContact O-N 3.47Å; S346-Y348 PolarHBondContact OG-N 2.9Å; Y348-P361 WeakPolarHBondContact O-CD 3.34Å |
| 349 | E | 98.4 | Very high | 92 | Very high | 7 Ų | 7 | 9.3 Ų | 9.3 | 3% | 0.033 | 5% | 0.047 | C | C | . | . | trans | -154.4 | 155.8 | -178.3 | 65.2 | -176.4 | 174.2 | 0 | 0 | 112.2 | R140 C146 S346 F358 M359 R556 | R140-E349 IonicContact NE-OE2 2.78Å; C146-E349 HydrophobicContact CB-CG 4.49Å; C146-E349 VanDerWaalsContact CB-OE2 3.29Å; C146-E349 WeakPolarHBondContact CB-OE2 3.38Å; C146-E349 PolarHBondContact N-OE1 2.84Å; S346-E349 PolarHBondContact N-O 3.41Å; S346-E349 PolarHBondContact OG-N 3.49Å; S346-E349 PolarHBondContact OG-O 3.25Å; E349-F358 HydrophobicContact CB-CB 4.39Å; E349-F358 HydrophobicContact CB-CD1 4.46Å; E349-F358 HydrophobicContact CG-CB 4.47Å; E349-F358 HydrophobicContact CG-CD1 3.88Å; E349-F358 HydrophobicContact CG-CG 4.45Å; E349-F358 WeakPolarHBondContact OE2-CB 3.39Å; E349-M359 CarbonylContact C-O 3.6Å; E349-M359 WeakPolarHBondContact CA-O 3.1Å; E349-M359 WeakPolarHBondContact CB-O 3.26Å; E349-R556 IonicContact OE1-NH1 2.63Å | ||
| 350 | I | 98.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138.9 | 171.8 | -59.9 | 171.4 | 0 | 0 | 0 | 108 | L308 V343 E344 F345 F358 M359 P361 F364 | L308-I350 HydrophobicContact CD2-CD1 3.93Å; L308-I350 HydrophobicContact CD2-CG1 4.08Å; V343-I350 HydrophobicContact CG1-CG2 3.99Å; E344-I350 CarbonylContact O-C 3.57Å; E344-I350 VanDerWaalsContact O-CA 3.28Å; E344-I350 WeakPolarHBondContact O-CA 3.17Å; F345-I350 HydrophobicContact CB-CG1 4.31Å; F345-I350 HydrophobicContact CD1-CB 4.26Å; F345-I350 HydrophobicContact CD1-CD1 3.52Å; F345-I350 HydrophobicContact CD1-CG1 3.61Å; F345-I350 HydrophobicContact CD1-CG2 3.64Å; F345-I350 HydrophobicContact CE1-CD1 3.91Å; F345-I350 HydrophobicContact CE1-CG1 4.26Å; F345-I350 HydrophobicContact CE1-CG2 3.59Å; F345-I350 HydrophobicContact CG-CG1 4.22Å; F345-I350 HydrophobicContact CG-CG2 4.15Å; F345-I350 HydrophobicContact CZ-CG2 4.07Å; I350-F358 CarbonylContact O-C 3.45Å; I350-F358 WeakPolarHBondContact O-CA 3.28Å; I350-M359 HydrophobicContact CG2-CE 4.45Å; I350-M359 PolarHBondContact N-O 2.97Å; I350-M359 PolarHBondContact O-N 3.13Å; I350-P361 HydrophobicContact CD1-CB 4.09Å; I350-P361 HydrophobicContact CG1-CB 4.48Å; I350-P361 HydrophobicContact CG1-CG 4.48Å; I350-F364 HydrophobicContact CD1-CB 3.47Å; I350-F364 VanDerWaalsContact CD1-CB 3.47Å; I350-F364 HydrophobicContact CD1-CD1 4.37Å; I350-F364 HydrophobicContact CD1-CD2 4.3Å; I350-F364 HydrophobicContact CD1-CG 3.82Å; I350-F364 HydrophobicContact CG2-CD2 3.67Å; I350-F364 HydrophobicContact CG2-CE2 4.16Å; I350-F364 HydrophobicContact CG2-CG 4.28Å |
| 351 | G | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.1 | -173.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V343 E344 T357 | V343-G351 CarbonylContact C-O 3.57Å; V343-G351 WeakPolarHBondContact CA-O 3.46Å; E344-G351 PolarHBondContact N-O 2.84Å; E344-G351 PolarHBondContact O-N 2.75Å; G351-T357 CarbonylContact C-O 3.56Å; G351-T357 WeakPolarHBondContact CA-O 3.44Å |
| 352 | M | 93.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 104.4 | 178.4 | -69.5 | 172.3 | -174.5 | 0 | 0 | 109.2 | H329 D341 V343 K354 Y355 G356 T357 F486 L531 I538 | H329-M352 HydrophobicContact CB-CE 3.57Å; D341-M352 HydrophobicContact CB-SD 4.43Å; V343-M352 HydrophobicContact CG2-CE 3.72Å; V343-M352 HydrophobicContact CG2-CG 3.98Å; M352-K354 PolarHBondContact O-N 3.44Å; M352-Y355 HydrophobicContact CB-CD2 3.68Å; M352-Y355 HydrophobicContact CB-CE2 4.36Å; M352-Y355 HydrophobicContact CG-CD2 4.31Å; M352-Y355 PolarHBondContact O-N 3.27Å; M352-Y355 HydrophobicContact SD-CD2 3.65Å; M352-Y355 HydrophobicContact SD-CE2 3.66Å; M352-G356 PolarHBondContact O-N 2.93Å; M352-G356 VanDerWaalsContact O-N 3.08Å; M352-T357 PolarHBondContact N-O 3.15Å; M352-T357 PolarHBondContact O-N 3.17Å; M352-F486 HydrophobicContact CE-CE1 4.27Å; M352-F486 HydrophobicContact CE-CZ 3.85Å; M352-F486 HydrophobicContact CG-CZ 4.13Å; M352-F486 HydrophobicContact SD-CZ 4.08Å; M352-L531 HydrophobicContact CE-CD1 4.46Å; M352-L531 HydrophobicContact SD-CD2 4.46Å; M352-I538 HydrophobicContact CE-CD1 4.39Å |
| 353 | A | 88.9 | Confident | 95.4 | Very high | 32 Ų | 32 | 13.1 Ų | 13.1 | 26% | 0.264 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -32.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | L143 E344 Y355 G356 F358 | L143-A353 WeakPolarHBondContact CD2-O 3.32Å; E344-A353 WeakPolarHBondContact OE1-CB 3.18Å; A353-Y355 PolarHBondContact O-N 2.6Å; A353-G356 PolarHBondContact O-N 2.99Å; A353-G356 VanDerWaalsContact O-N 3.16Å; A353-F358 HydrophobicContact CB-CZ 4.13Å |
| 354 | K | 84.8 | Confident | 95.4 | Very high | 73 Ų | 73 | 13.3 Ų | 13.3 | 32% | 0.317 | 7% | 0.073 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -39.6 | 175.4 | -176.9 | 178.7 | 177.4 | 175.6 | 0 | 112.5 | D341 M352 I527 | D341-K354 WeakPolarHBondContact OD1-CD 3.4Å; D341-K354 WeakPolarHBondContact OD1-CE 3.23Å; D341-K354 IonicContact OD1-NZ 2.73Å; D341-K354 PolarHBondContact OD1-NZ 3.42Å; M352-K354 PolarHBondContact O-N 3.44Å; K354-I527 PolarHBondContact NZ-O 3.26Å |
| 355 | Y | 85.9 | Confident | 95.3 | Very high | 10 Ų | 10 | 13.2 Ų | 13.2 | 4% | 0.039 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -9.4 | -179.2 | -54 | -57.7 | 0 | 0 | 0 | 113.1 | I5 K331 D341 M352 A353 T357 M487 L531 | I5-Y355 HydrophobicContact CB-CD1 4.07Å; I5-Y355 HydrophobicContact CB-CE1 4.11Å; I5-Y355 HydrophobicContact CD1-CE1 3.72Å; I5-Y355 HydrophobicContact CG2-CD1 3.8Å; I5-Y355 HydrophobicContact CG2-CE1 3.9Å; K331-Y355 PolarHBondContact NZ-OH 3Å; D341-Y355 HydrophobicContact CB-CE2 4.41Å; D341-Y355 VanDerWaalsContact CG-OH 3.23Å; D341-Y355 PolarHBondContact OD1-OH 2.77Å; D341-Y355 WeakPolarHBondContact OD2-CE2 3.32Å; D341-Y355 PolarHBondContact OD2-OH 3.26Å; M352-Y355 HydrophobicContact CB-CD2 3.68Å; M352-Y355 HydrophobicContact CB-CE2 4.36Å; M352-Y355 HydrophobicContact CG-CD2 4.31Å; M352-Y355 PolarHBondContact O-N 3.27Å; M352-Y355 HydrophobicContact SD-CD2 3.65Å; M352-Y355 HydrophobicContact SD-CE2 3.66Å; A353-Y355 PolarHBondContact O-N 2.6Å; Y355-T357 PolarHBondContact O-N 3.44Å; Y355-M487 HydrophobicContact CD2-CE 4.3Å; Y355-M487 HydrophobicContact CG-CE 4.29Å; Y355-L531 HydrophobicContact CE2-CB 4.04Å; Y355-L531 PolarHBondContact OH-N 3.03Å |
| 356 | G | 88.8 | Confident | 95.2 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 22.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R140 F141 S142 M352 A353 | R140-G356 VanDerWaalsContact O-O 3.11Å; F141-G356 CarbonylContact C-O 3.54Å; F141-G356 WeakPolarHBondContact CA-O 3.43Å; S142-G356 CarbonylContact C-O 3.57Å; S142-G356 PolarHBondContact N-O 3.01Å; S142-G356 CarbonylContact O-C 3.59Å; S142-G356 WeakPolarHBondContact O-CA 3.01Å; M352-G356 PolarHBondContact O-N 2.93Å; M352-G356 VanDerWaalsContact O-N 3.08Å; A353-G356 PolarHBondContact O-N 2.99Å; A353-G356 VanDerWaalsContact O-N 3.16Å |
| 357 | T | 92.4 | Very high | 95 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 123.3 | -177.4 | -52 | 0 | 0 | 0 | 0 | 110.8 | V7 L139 F141 G351 M352 Y355 F486 M487 | V7-T357 WeakPolarHBondContact CG2-OG1 3.48Å; L139-T357 HydrophobicContact CB-CG2 4.22Å; L139-T357 HydrophobicContact CD1-CG2 3.7Å; L139-T357 HydrophobicContact CD2-CG2 4.36Å; L139-T357 HydrophobicContact CG-CG2 4.31Å; F141-T357 HydrophobicContact CD1-CG2 3.97Å; F141-T357 HydrophobicContact CE1-CG2 3.59Å; G351-T357 CarbonylContact C-O 3.56Å; G351-T357 WeakPolarHBondContact CA-O 3.44Å; M352-T357 PolarHBondContact N-O 3.15Å; M352-T357 PolarHBondContact O-N 3.17Å; Y355-T357 PolarHBondContact O-N 3.44Å; T357-F486 HydrophobicContact CG2-CD2 4.4Å; T357-F486 HydrophobicContact CG2-CE2 4.32Å; T357-M487 VanDerWaalsContact CB-SD 3.59Å; T357-M487 HydrophobicContact CG2-SD 3.44Å; T357-M487 WeakPolarHBondContact CG2-SD 3.37Å |
| 358 | F | 96.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 16 Ų | 16 | 0% | 0.004 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 158.5 | -175.2 | -65.5 | -88.8 | 0 | 0 | 0 | 111.7 | L139 R140 E344 E349 I350 A353 | L139-F358 WeakPolarHBondContact CA-O 3.33Å; R140-F358 HydrophobicContact CB-CB 4.33Å; R140-F358 PolarHBondContact N-O 2.88Å; R140-F358 PolarHBondContact O-N 2.94Å; E344-F358 HydrophobicContact CG-CE1 3.7Å; E344-F358 HydrophobicContact CG-CZ 4.47Å; E344-F358 WeakPolarHBondContact OE1-CE1 3.37Å; E344-F358 WeakPolarHBondContact OE1-CZ 3.41Å; E349-F358 HydrophobicContact CB-CB 4.39Å; E349-F358 HydrophobicContact CB-CD1 4.46Å; E349-F358 HydrophobicContact CG-CB 4.47Å; E349-F358 HydrophobicContact CG-CD1 3.88Å; E349-F358 HydrophobicContact CG-CG 4.45Å; E349-F358 WeakPolarHBondContact OE2-CB 3.39Å; I350-F358 CarbonylContact O-C 3.45Å; I350-F358 WeakPolarHBondContact O-CA 3.28Å; A353-F358 HydrophobicContact CB-CZ 4.13Å |
| 359 | M | 97.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.02 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 164.8 | 172.8 | 62.4 | -172.3 | 156.4 | 0 | 0 | 110.2 | L139 E349 I350 L363 F364 F368 F486 | L139-M359 HydrophobicContact CD2-CB 3.77Å; L139-M359 HydrophobicContact CD2-CG 4.49Å; L139-M359 HydrophobicContact CD2-SD 4.34Å; E349-M359 CarbonylContact C-O 3.6Å; E349-M359 WeakPolarHBondContact CA-O 3.1Å; E349-M359 WeakPolarHBondContact CB-O 3.26Å; I350-M359 HydrophobicContact CG2-CE 4.45Å; I350-M359 PolarHBondContact N-O 2.97Å; I350-M359 PolarHBondContact O-N 3.13Å; M359-L363 HydrophobicContact CB-CB 4.23Å; M359-L363 HydrophobicContact CB-CD1 4.34Å; M359-L363 HydrophobicContact CG-CB 4.28Å; M359-L363 HydrophobicContact SD-CB 3.95Å; M359-F364 HydrophobicContact CE-CB 3.74Å; M359-F364 HydrophobicContact CE-CD2 3.44Å; M359-F364 VanDerWaalsContact CE-CD2 3.44Å; M359-F364 HydrophobicContact CE-CE2 4.48Å; M359-F364 HydrophobicContact CE-CG 4.04Å; M359-F368 HydrophobicContact CB-CZ 4.49Å; M359-F368 HydrophobicContact SD-CE2 3.74Å; M359-F368 HydrophobicContact SD-CZ 3.66Å; M359-F486 HydrophobicContact CE-CB 4.04Å; M359-F486 HydrophobicContact CE-CD1 3.56Å; M359-F486 HydrophobicContact CE-CD2 4.45Å; M359-F486 HydrophobicContact CE-CE1 4.1Å; M359-F486 HydrophobicContact CE-CG 3.77Å; M359-F486 HydrophobicContact SD-CB 4.07Å; M359-F486 HydrophobicContact SD-CG 4.32Å |
| 360 | T | 98 | Very high | 94 | Very high | 64 Ų | 64 | 16.3 Ų | 16.3 | 39% | 0.393 | 9% | 0.087 | S | C | . | . | trans | -69 | 151.8 | 171.2 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | D362 L363 | T360-D362 WeakPolarHBondContact CB-OD1 3.27Å; T360-D362 PolarHBondContact O-N 2.85Å; T360-D362 PolarHBondContact OG1-OD1 2.93Å; T360-L363 PolarHBondContact O-N 2.99Å; T360-L363 WeakPolarHBondContact OG1-CG 3.41Å | ||
| 361 | P | 98.4 | Very high | 93.6 | Very high | 6 Ų | 6 | 16.2 Ų | 16.2 | 4% | 0.039 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -55.8 | -35.2 | -175.2 | -29.9 | 37.1 | 0 | 0 | 0 | 114.8 | L308 Y348 I350 L363 F364 | L308-P361 HydrophobicContact CB-CB 4.26Å; L308-P361 HydrophobicContact CD2-CB 4.2Å; L308-P361 HydrophobicContact CD2-CG 4.35Å; L308-P361 HydrophobicContact CG-CB 4.3Å; L308-P361 HydrophobicContact CG-CG 4.42Å; Y348-P361 WeakPolarHBondContact O-CD 3.34Å; I350-P361 HydrophobicContact CD1-CB 4.09Å; I350-P361 HydrophobicContact CG1-CB 4.48Å; I350-P361 HydrophobicContact CG1-CG 4.48Å; P361-L363 PolarHBondContact O-N 2.85Å; P361-L363 VanDerWaalsContact O-N 3.14Å; P361-F364 PolarHBondContact O-N 2.85Å; P361-F364 VanDerWaalsContact O-N 3.1Å |
| 362 | D | 97.8 | Very high | 93.4 | Very high | 43 Ų | 43 | 16.9 Ų | 16.9 | 23% | 0.23 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -65.9 | -13.8 | 179.5 | 69.1 | -54.6 | 0 | 0 | 0 | 114.2 | T360 K376 E379 | T360-D362 WeakPolarHBondContact CB-OD1 3.27Å; T360-D362 PolarHBondContact O-N 2.85Å; T360-D362 PolarHBondContact OG1-OD1 2.93Å; D362-K376 WeakPolarHBondContact OD2-CE 3.17Å; D362-K376 IonicContact OD2-NZ 2.79Å; D362-K376 PolarHBondContact OD2-NZ 2.87Å; D362-E379 HydrophobicContact CB-CB 4.08Å; D362-E379 HydrophobicContact CB-CG 4.41Å |
| 363 | L | 97.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 18.2 Ų | 18.2 | 7% | 0.068 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -94.8 | -14.5 | 176.4 | -59.3 | -177.6 | 0 | 0 | 0 | 113.2 | D138 M359 T360 P361 G365 S366 F368 V373 K376 | D138-L363 HydrophobicContact CB-CD1 4.05Å; M359-L363 HydrophobicContact CB-CB 4.23Å; M359-L363 HydrophobicContact CB-CD1 4.34Å; M359-L363 HydrophobicContact CG-CB 4.28Å; M359-L363 HydrophobicContact SD-CB 3.95Å; T360-L363 PolarHBondContact O-N 2.99Å; T360-L363 WeakPolarHBondContact OG1-CG 3.41Å; P361-L363 PolarHBondContact O-N 2.85Å; P361-L363 VanDerWaalsContact O-N 3.14Å; L363-G365 PolarHBondContact O-N 3.08Å; L363-G365 VanDerWaalsContact O-N 3.16Å; L363-S366 WeakPolarHBondContact O-CB 3.16Å; L363-S366 PolarHBondContact O-N 3.35Å; L363-S366 PolarHBondContact O-OG 3.28Å; L363-F368 HydrophobicContact CB-CE2 4.32Å; L363-F368 HydrophobicContact CB-CZ 3.85Å; L363-F368 HydrophobicContact CD1-CZ 4.2Å; L363-V373 HydrophobicContact CD1-CG2 4.1Å; L363-V373 HydrophobicContact CD2-CG2 3.93Å; L363-K376 HydrophobicContact CD2-CD 4.09Å; L363-K376 HydrophobicContact CD2-CG 4.32Å |
| 364 | F | 97.8 | Very high | 93.5 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 2% | 0.022 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 118.5 | -179.9 | -179.9 | -96.6 | 0 | 0 | 0 | 111 | F345 I350 M359 P361 N380 F384 L385 V483 | F345-F364 HydrophobicContact CE1-CD1 4.31Å; F345-F364 HydrophobicContact CE1-CD2 4.29Å; F345-F364 AromaticContact CE1-CE1 3.99Å; F345-F364 HydrophobicContact CE1-CE1 3.99Å; F345-F364 HydrophobicContact CE1-CE2 4Å; F345-F364 HydrophobicContact CE1-CG 4.46Å; F345-F364 AromaticContact CE1-CZ 3.85Å; F345-F364 HydrophobicContact CE1-CZ 3.85Å; F345-F364 HydrophobicContact CZ-CE1 4.45Å; F345-F364 HydrophobicContact CZ-CE2 4.07Å; F345-F364 AromaticContact CZ-CZ 3.91Å; F345-F364 HydrophobicContact CZ-CZ 3.91Å; I350-F364 HydrophobicContact CD1-CB 3.47Å; I350-F364 VanDerWaalsContact CD1-CB 3.47Å; I350-F364 HydrophobicContact CD1-CD1 4.37Å; I350-F364 HydrophobicContact CD1-CD2 4.3Å; I350-F364 HydrophobicContact CD1-CG 3.82Å; I350-F364 HydrophobicContact CG2-CD2 3.67Å; I350-F364 HydrophobicContact CG2-CE2 4.16Å; I350-F364 HydrophobicContact CG2-CG 4.28Å; M359-F364 HydrophobicContact CE-CB 3.74Å; M359-F364 HydrophobicContact CE-CD2 3.44Å; M359-F364 VanDerWaalsContact CE-CD2 3.44Å; M359-F364 HydrophobicContact CE-CE2 4.48Å; M359-F364 HydrophobicContact CE-CG 4.04Å; P361-F364 PolarHBondContact O-N 2.85Å; P361-F364 VanDerWaalsContact O-N 3.1Å; F364-N380 PolarHBondContact O-ND2 3.35Å; F364-F384 HydrophobicContact CE1-CE1 4.16Å; F364-L385 HydrophobicContact CD1-CD2 3.95Å; F364-L385 HydrophobicContact CE1-CD2 3.77Å; F364-V483 HydrophobicContact CE1-CG1 3.98Å; F364-V483 HydrophobicContact CE2-CG2 4.27Å; F364-V483 HydrophobicContact CZ-CG1 3.99Å; F364-V483 HydrophobicContact CZ-CG2 4.05Å |
| 365 | G | 95.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 5% | 0.052 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.6 | -4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q283 L363 Y377 H484 | Q283-G365 PolarHBondContact NE2-O 3.15Å; L363-G365 PolarHBondContact O-N 3.08Å; L363-G365 VanDerWaalsContact O-N 3.16Å; G365-Y377 VanDerWaalsContact O-CD2 3.25Å; G365-Y377 WeakPolarHBondContact O-CD2 3.44Å; G365-H484 PolarHBondContact O-CD2 3.34Å |
| 366 | S | 96.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -72.2 | 157.3 | 167.4 | -66 | 0 | 0 | 0 | 0 | 112.3 | L363 F368 K375 Y377 H484 | L363-S366 WeakPolarHBondContact O-CB 3.16Å; L363-S366 PolarHBondContact O-N 3.35Å; L363-S366 PolarHBondContact O-OG 3.28Å; S366-F368 WeakPolarHBondContact O-CD2 3.36Å; S366-K375 WeakPolarHBondContact CB-O 3.48Å; S366-Y377 PolarHBondContact OG-N 3.02Å; S366-H484 WeakPolarHBondContact O-CB 3.19Å |
| 367 | K | 94.6 | Very high | 94.5 | Very high | 56 Ų | 56 | 24.6 Ų | 24.6 | 24% | 0.243 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 132.3 | 173.3 | -68.1 | -175.9 | 177.4 | -175 | 0 | 109.5 | E50 V373 V374 K375 Y377 H484 | E50-K367 HydrophobicContact CG-CD 4.39Å; K367-V373 WeakPolarHBondContact O-CA 3.43Å; K367-V374 HydrophobicContact CB-CG2 3.45Å; K367-V374 VanDerWaalsContact CB-CG2 3.45Å; K367-V374 WeakPolarHBondContact O-CG2 3.44Å; K367-V374 PolarHBondContact O-N 3.33Å; K367-K375 HydrophobicContact CB-CB 4.14Å; K367-K375 HydrophobicContact CD-CB 4.28Å; K367-K375 HydrophobicContact CG-CB 4.46Å; K367-K375 PolarHBondContact N-O 3.42Å; K367-K375 PolarHBondContact O-N 3.15Å; K367-Y377 WeakPolarHBondContact CE-OH 2.9Å; K367-Y377 HydrophobicContact CG-CE2 4.1Å; K367-H484 VanDerWaalsContact CE-CE1 3.45Å; K367-H484 WeakPolarHBondContact CE-CE1 3.24Å; K367-H484 HydrophobicContact CG-CB 4.3Å |
| 368 | F | 93 | Very high | 94.6 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 159.8 | 177.1 | -76 | -100.1 | 0 | 0 | 0 | 111.7 | D138 L139 M359 L363 S366 T372 V373 F486 L488 | D138-F368 HydrophobicContact CB-CE1 4.1Å; L139-F368 HydrophobicContact CD1-CD1 4.3Å; L139-F368 HydrophobicContact CD2-CD1 3.95Å; L139-F368 HydrophobicContact CD2-CE1 3.41Å; L139-F368 VanDerWaalsContact CD2-CE1 3.41Å; L139-F368 HydrophobicContact CD2-CZ 3.83Å; L139-F368 HydrophobicContact CG-CD1 3.87Å; L139-F368 HydrophobicContact CG-CE1 3.7Å; M359-F368 HydrophobicContact CB-CZ 4.49Å; M359-F368 HydrophobicContact SD-CE2 3.74Å; M359-F368 HydrophobicContact SD-CZ 3.66Å; L363-F368 HydrophobicContact CB-CE2 4.32Å; L363-F368 HydrophobicContact CB-CZ 3.85Å; L363-F368 HydrophobicContact CD1-CZ 4.2Å; S366-F368 WeakPolarHBondContact O-CD2 3.36Å; F368-T372 CarbonylContact C-O 3.56Å; F368-T372 VanDerWaalsContact CA-O 3.28Å; F368-T372 WeakPolarHBondContact CA-O 3.34Å; F368-V373 HydrophobicContact CD1-CG2 3.95Å; F368-V373 HydrophobicContact CE1-CG2 3.39Å; F368-V373 HydrophobicContact CE2-CG2 4.13Å; F368-V373 HydrophobicContact CZ-CG2 3.51Å; F368-F486 WeakPolarHBondContact CB-O 3.25Å; F368-F486 HydrophobicContact CD2-CB 3.64Å; F368-F486 HydrophobicContact CE2-CB 3.88Å; F368-F486 HydrophobicContact CG-CB 4.1Å; F368-L488 WeakPolarHBondContact O-CD2 3.46Å |
| 369 | F | 92.6 | Very high | 94.7 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 10% | 0.096 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 126.4 | 164.2 | -167.2 | -128.4 | 0 | 0 | 0 | 110 | P49 I73 D75 G371 T372 V374 L488 | P49-F369 HydrophobicContact CB-CD2 4.48Å; P49-F369 HydrophobicContact CG-CB 3.57Å; P49-F369 HydrophobicContact CG-CD1 4.08Å; P49-F369 HydrophobicContact CG-CD2 3.75Å; P49-F369 HydrophobicContact CG-CE2 4.48Å; P49-F369 HydrophobicContact CG-CG 3.52Å; I73-F369 HydrophobicContact CB-CD1 4.21Å; I73-F369 HydrophobicContact CG2-CD1 3.93Å; I73-F369 WeakPolarHBondContact O-CD1 3.43Å; D75-F369 HydrophobicContact CB-CE1 4.34Å; D75-F369 HydrophobicContact CB-CZ 4.25Å; F369-G371 PolarHBondContact O-N 3.48Å; F369-G371 VanDerWaalsContact O-N 3.1Å; F369-T372 PolarHBondContact N-O 3.03Å; F369-T372 PolarHBondContact O-N 2.76Å; F369-V374 HydrophobicContact CB-CG1 3.62Å; F369-L488 CarbonylContact C-O 3.59Å; F369-L488 WeakPolarHBondContact CA-O 3.42Å; F369-L488 HydrophobicContact CD2-CD2 4.5Å; F369-L488 HydrophobicContact CD2-CG 4.23Å |
| 370 | M | 90.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 36.9 | 177.6 | -55.5 | 179.3 | 76.1 | 0 | 0 | 113.1 | Q10 D75 L488 G489 | Q10-M370 HydrophobicContact CB-CE 3.61Å; Q10-M370 HydrophobicContact CG-CE 4.23Å; D75-M370 VanDerWaalsContact CA-SD 3.59Å; D75-M370 HydrophobicContact CB-CE 4.12Å; D75-M370 HydrophobicContact CB-SD 3.56Å; D75-M370 VanDerWaalsContact CB-SD 3.56Å; M370-L488 PolarHBondContact N-O 3.02Å; M370-G489 WeakPolarHBondContact CG-O 3.28Å |
| 371 | G | 90.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 1.8 | -180 | 0 | 0 | 0 | 0 | 0 | 116.2 | D138 L139 F369 | D138-G371 PolarHBondContact N-O 3.29Å; L139-G371 PolarHBondContact N-O 3.37Å; F369-G371 PolarHBondContact O-N 3.48Å; F369-G371 VanDerWaalsContact O-N 3.1Å |
| 372 | T | 91.3 | Very high | 94.5 | Very high | 14 Ų | 14 | 31 Ų | 31 | 9% | 0.086 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 139.7 | 178 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | I73 D138 F368 F369 V374 | I73-T372 HydrophobicContact CD1-CG2 4.14Å; I73-T372 HydrophobicContact CG1-CG2 4.18Å; D138-T372 WeakPolarHBondContact OD2-CA 3.41Å; F368-T372 CarbonylContact C-O 3.56Å; F368-T372 VanDerWaalsContact CA-O 3.28Å; F368-T372 WeakPolarHBondContact CA-O 3.34Å; F369-T372 PolarHBondContact N-O 3.03Å; F369-T372 PolarHBondContact O-N 2.76Å; T372-V374 PolarHBondContact O-N 2.84Å |
| 373 | V | 92.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 30 Ų | 30 | 17% | 0.17 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 120.2 | 174.7 | 177 | 0 | 0 | 0 | 0 | 109.2 | D138 L363 K367 F368 K376 | D138-V373 HydrophobicContact CB-CG2 3.7Å; D138-V373 PolarHBondContact OD2-N 3.13Å; L363-V373 HydrophobicContact CD1-CG2 4.1Å; L363-V373 HydrophobicContact CD2-CG2 3.93Å; K367-V373 WeakPolarHBondContact O-CA 3.43Å; F368-V373 HydrophobicContact CD1-CG2 3.95Å; F368-V373 HydrophobicContact CE1-CG2 3.39Å; F368-V373 HydrophobicContact CE2-CG2 4.13Å; F368-V373 HydrophobicContact CZ-CG2 3.51Å; V373-K376 HydrophobicContact CG1-CB 3.92Å |
| 374 | V | 91.4 | Very high | 94.4 | Very high | 31 Ų | 31 | 29.5 Ų | 29.5 | 19% | 0.188 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -32.6 | 175 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | P49 E50 I73 K367 F369 T372 | P49-V374 HydrophobicContact CG-CG1 4.23Å; P49-V374 HydrophobicContact CG-CG2 4.41Å; E50-V374 HydrophobicContact CG-CB 4.43Å; E50-V374 HydrophobicContact CG-CG2 4Å; I73-V374 HydrophobicContact CB-CG1 3.99Å; I73-V374 HydrophobicContact CG1-CG1 3.79Å; K367-V374 HydrophobicContact CB-CG2 3.45Å; K367-V374 VanDerWaalsContact CB-CG2 3.45Å; K367-V374 WeakPolarHBondContact O-CG2 3.44Å; K367-V374 PolarHBondContact O-N 3.33Å; F369-V374 HydrophobicContact CB-CG1 3.62Å; T372-V374 PolarHBondContact O-N 2.84Å |
| 375 | K | 92.1 | Very high | 94.5 | Very high | 77 Ų | 77 | 29.4 Ų | 29.4 | 34% | 0.335 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 114.5 | 172.8 | -176.4 | 169.8 | -177.8 | -176 | 0 | 110.1 | E50 S281 S366 K367 Y377 | E50-K375 VanDerWaalsContact OE1-CB 3.32Å; E50-K375 WeakPolarHBondContact OE1-CB 3.4Å; E50-K375 WeakPolarHBondContact OE1-CD 3.46Å; S281-K375 PolarHBondContact O-NZ 3.5Å; S366-K375 WeakPolarHBondContact CB-O 3.48Å; K367-K375 HydrophobicContact CB-CB 4.14Å; K367-K375 HydrophobicContact CD-CB 4.28Å; K367-K375 HydrophobicContact CG-CB 4.46Å; K367-K375 PolarHBondContact N-O 3.42Å; K367-K375 PolarHBondContact O-N 3.15Å; K375-Y377 HydrophobicContact CD-CE1 3.9Å; K375-Y377 WeakPolarHBondContact CD-OH 3.21Å; K375-Y377 HydrophobicContact CG-CE1 4.07Å; K375-Y377 HydrophobicContact CG-CE2 4.43Å |
| 376 | K | 94.1 | Very high | 94.6 | Very high | 124 Ų | 124 | 29.2 Ų | 29.2 | 54% | 0.539 | 14% | 0.14 | S | C | . | . | trans | -83.7 | 131.9 | 174.6 | -173 | 169.7 | -177.9 | 168.9 | 0 | 109.8 | D362 L363 V373 | D362-K376 WeakPolarHBondContact OD2-CE 3.17Å; D362-K376 IonicContact OD2-NZ 2.79Å; D362-K376 PolarHBondContact OD2-NZ 2.87Å; L363-K376 HydrophobicContact CD2-CD 4.09Å; L363-K376 HydrophobicContact CD2-CG 4.32Å; V373-K376 HydrophobicContact CG1-CB 3.92Å | ||
| 377 | Y | 95.1 | Very high | 94.6 | Very high | 18 Ų | 18 | 29.1 Ų | 29.1 | 7% | 0.071 | 14% | 0.139 | C | C | . | . | trans | -104.1 | 172.7 | 168.1 | -59.4 | -72.7 | 0 | 0 | 0 | 110.5 | S281 G282 Q283 G365 S366 K367 K375 H484 | S281-Y377 VanDerWaalsContact O-CE1 3.27Å; S281-Y377 WeakPolarHBondContact O-CE1 3.2Å; G282-Y377 PolarHBondContact O-OH 3.25Å; Q283-Y377 VanDerWaalsContact CD-CG 3.47Å; Q283-Y377 HydrophobicContact CG-CD1 3.81Å; Q283-Y377 HydrophobicContact CG-CD2 3.45Å; Q283-Y377 VanDerWaalsContact CG-CD2 3.45Å; Q283-Y377 HydrophobicContact CG-CE1 3.87Å; Q283-Y377 HydrophobicContact CG-CE2 3.59Å; Q283-Y377 HydrophobicContact CG-CG 3.61Å; G365-Y377 VanDerWaalsContact O-CD2 3.25Å; G365-Y377 WeakPolarHBondContact O-CD2 3.44Å; S366-Y377 PolarHBondContact OG-N 3.02Å; K367-Y377 WeakPolarHBondContact CE-OH 2.9Å; K367-Y377 HydrophobicContact CG-CE2 4.1Å; K375-Y377 HydrophobicContact CD-CE1 3.9Å; K375-Y377 WeakPolarHBondContact CD-OH 3.21Å; K375-Y377 HydrophobicContact CG-CE1 4.07Å; K375-Y377 HydrophobicContact CG-CE2 4.43Å; Y377-H484 AromaticContact CE2-CD2 3.7Å; Y377-H484 AromaticContact CE2-NE2 3.95Å | ||
| 378 | E | 94.6 | Very high | 94.7 | Very high | 144 Ų | 144 | 26.4 Ų | 26.4 | 67% | 0.673 | 13% | 0.128 | S | C | * | . | P | Polyproline II helix | trans | -63.3 | 145.9 | 165 | -170.7 | 171.5 | -176.6 | 0 | 0 | 110.1 | K307 N380 | K307-E378 IonicContact NZ-OE1 3.78Å; K307-E378 PolarHBondContact NZ-OE1 3.38Å; E378-N380 PolarHBondContact O-N 3.05Å |
| 379 | E | 97.1 | Very high | 95 | Very high | 19 Ų | 19 | 26.3 Ų | 26.3 | 9% | 0.089 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 131.7 | 173 | -175.7 | 170.3 | 166.9 | 0 | 0 | 109.9 | K307 L308 S309 D362 | K307-E379 HydrophobicContact CB-CG 4.14Å; K307-E379 WeakPolarHBondContact CB-OE1 3.4Å; K307-E379 HydrophobicContact CD-CB 3.96Å; K307-E379 HydrophobicContact CD-CG 4.31Å; K307-E379 HydrophobicContact CG-CB 4.21Å; K307-E379 HydrophobicContact CG-CG 4.07Å; L308-E379 PolarHBondContact N-OE1 3.19Å; L308-E379 VanDerWaalsContact N-OE1 3.14Å; S309-E379 VanDerWaalsContact CB-OE2 3.26Å; S309-E379 WeakPolarHBondContact CB-OE2 3.47Å; S309-E379 PolarHBondContact N-OE1 2.86Å; S309-E379 VanDerWaalsContact OG-CD 3.27Å; S309-E379 PolarHBondContact OG-OE1 2.81Å; S309-E379 PolarHBondContact OG-OE2 3.44Å; D362-E379 HydrophobicContact CB-CB 4.08Å; D362-E379 HydrophobicContact CB-CG 4.41Å |
| 380 | N | 95.4 | Very high | 95 | Very high | 9 Ų | 9 | 25.3 Ų | 25.3 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 138.5 | 177 | -70.7 | -75.4 | 0 | 0 | 0 | 110.2 | F364 E378 F384 | F364-N380 PolarHBondContact O-ND2 3.35Å; E378-N380 PolarHBondContact O-N 3.05Å; N380-F384 HydrophobicContact CB-CB 4.25Å; N380-F384 HydrophobicContact CB-CD1 3.42Å; N380-F384 VanDerWaalsContact CB-CD1 3.42Å; N380-F384 HydrophobicContact CB-CE1 4.07Å; N380-F384 HydrophobicContact CB-CG 4.1Å |
| 381 | P | 96.8 | Very high | 95.1 | Very high | 37 Ų | 37 | 25.2 Ų | 25.2 | 24% | 0.24 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -63.4 | 152.4 | 176.4 | 28.8 | -35.9 | 0 | 0 | 0 | 110.7 | H383 F384 | P381-H383 WeakPolarHBondContact CB-NE2 3.11Å; P381-H383 WeakPolarHBondContact CG-NE2 3.2Å; P381-H383 PolarHBondContact O-N 2.93Å; P381-H383 VanDerWaalsContact O-N 3.13Å; P381-F384 HydrophobicContact CG-CB 4.28Å; P381-F384 VanDerWaalsContact O-CB 3.31Å; P381-F384 WeakPolarHBondContact O-CB 3.47Å; P381-F384 PolarHBondContact O-N 2.85Å |
| 382 | L | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.2 | -34.5 | -175.8 | -176.8 | 61.6 | 0 | 0 | 0 | 111.9 | I306 I311 F384 L385 M386 W389 | I306-L382 HydrophobicContact CG2-CB 3.87Å; I306-L382 HydrophobicContact CG2-CD2 3.93Å; I306-L382 VanDerWaalsContact O-CB 3.23Å; I306-L382 WeakPolarHBondContact O-CB 3.16Å; I306-L382 PolarHBondContact O-N 3.05Å; I311-L382 HydrophobicContact CD1-CD1 4.34Å; I311-L382 HydrophobicContact CD1-CD2 4.11Å; L382-F384 VanDerWaalsContact C-N 3.26Å; L382-F384 PolarHBondContact O-N 2.8Å; L382-L385 WeakPolarHBondContact O-CB 3.44Å; L382-L385 PolarHBondContact O-N 3.4Å; L382-M386 HydrophobicContact CG-CG 4.43Å; L382-M386 HydrophobicContact CG-SD 4.33Å; L382-M386 WeakPolarHBondContact O-CG 3.42Å; L382-M386 PolarHBondContact O-N 2.58Å; L382-W389 HydrophobicContact CD1-CH2 3.98Å; L382-W389 HydrophobicContact CD1-CZ3 4.04Å |
| 383 | H | 97.2 | Very high | 94.7 | Very high | 21 Ų | 21 | 24.9 Ų | 24.9 | 10% | 0.097 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.8 | -27.3 | 178.1 | 74.4 | 77.1 | 0 | 0 | 0 | 113.2 | G292 M293 M304 P381 M386 G387 | G292-H383 CarbonylContact C-O 3.52Å; G292-H383 WeakPolarHBondContact CA-O 3.11Å; G292-H383 WeakPolarHBondContact O-CB 2.96Å; M293-H383 WeakPolarHBondContact CG-CE1 3.44Å; M293-H383 PolarHBondContact N-ND1 3.35Å; M304-H383 HydrophobicContact CE-CB 4.35Å; M304-H383 PolarHBondContact O-CD2 2.86Å; M304-H383 VanDerWaalsContact O-CD2 3.22Å; P381-H383 WeakPolarHBondContact CB-NE2 3.11Å; P381-H383 WeakPolarHBondContact CG-NE2 3.2Å; P381-H383 PolarHBondContact O-N 2.93Å; P381-H383 VanDerWaalsContact O-N 3.13Å; H383-M386 HydrophobicContact CB-SD 4.47Å; H383-M386 PolarHBondContact O-N 3.09Å; H383-G387 PolarHBondContact O-N 2.89Å |
| 384 | F | 97.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 1% | 0.013 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.3 | -46.1 | 170.3 | 167.3 | -104.6 | 0 | 0 | 0 | 110.4 | D289 F364 N380 P381 L382 M386 G387 V388 V483 | D289-F384 WeakPolarHBondContact OD1-CD2 3.19Å; D289-F384 VanDerWaalsContact OD1-CE2 3.27Å; D289-F384 WeakPolarHBondContact OD1-CE2 3.41Å; F364-F384 HydrophobicContact CE1-CE1 4.16Å; N380-F384 HydrophobicContact CB-CB 4.25Å; N380-F384 HydrophobicContact CB-CD1 3.42Å; N380-F384 VanDerWaalsContact CB-CD1 3.42Å; N380-F384 HydrophobicContact CB-CE1 4.07Å; N380-F384 HydrophobicContact CB-CG 4.1Å; P381-F384 HydrophobicContact CG-CB 4.28Å; P381-F384 VanDerWaalsContact O-CB 3.31Å; P381-F384 WeakPolarHBondContact O-CB 3.47Å; P381-F384 PolarHBondContact O-N 2.85Å; L382-F384 VanDerWaalsContact C-N 3.26Å; L382-F384 PolarHBondContact O-N 2.8Å; F384-M386 PolarHBondContact O-N 3.3Å; F384-G387 WeakPolarHBondContact O-CA 3.27Å; F384-G387 PolarHBondContact O-N 3.5Å; F384-G387 VanDerWaalsContact O-N 3.12Å; F384-V388 HydrophobicContact CE1-CG2 4.07Å; F384-V388 HydrophobicContact CE2-CG2 4.07Å; F384-V388 HydrophobicContact CZ-CG2 3.83Å; F384-V388 WeakPolarHBondContact O-CG2 3.13Å; F384-V388 PolarHBondContact O-N 2.85Å; F384-V483 HydrophobicContact CE1-CG1 4.31Å; F384-V483 HydrophobicContact CZ-CG1 3.96Å |
| 385 | L | 98.3 | Very high | 93.7 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.9 | -38.7 | 176.4 | -59.4 | -179.6 | 0 | 0 | 0 | 111.8 | L308 F345 F364 L382 G387 V388 W389 | L308-L385 HydrophobicContact CB-CD1 3.8Å; L308-L385 HydrophobicContact CD2-CD1 3.86Å; L308-L385 HydrophobicContact CG-CD1 4.38Å; F345-L385 HydrophobicContact CD1-CD1 4.48Å; F345-L385 HydrophobicContact CD1-CD2 4.38Å; F345-L385 HydrophobicContact CE1-CD2 3.98Å; F364-L385 HydrophobicContact CD1-CD2 3.95Å; F364-L385 HydrophobicContact CE1-CD2 3.77Å; L382-L385 WeakPolarHBondContact O-CB 3.44Å; L382-L385 PolarHBondContact O-N 3.4Å; L385-G387 PolarHBondContact O-N 2.85Å; L385-V388 PolarHBondContact O-N 3.31Å; L385-V388 VanDerWaalsContact O-N 3.11Å; L385-W389 HydrophobicContact CB-CD2 4.23Å; L385-W389 HydrophobicContact CB-CE3 4.25Å; L385-W389 HydrophobicContact CB-CH2 3.69Å; L385-W389 HydrophobicContact CB-CZ2 3.66Å; L385-W389 HydrophobicContact CB-CZ3 3.98Å; L385-W389 HydrophobicContact CD1-CH2 4.06Å; L385-W389 HydrophobicContact CD1-CZ2 3.96Å; L385-W389 HydrophobicContact CG-CZ2 4.37Å; L385-W389 WeakPolarHBondContact O-CB 3.45Å; L385-W389 PolarHBondContact O-N 3.1Å |
| 386 | M | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.1 | -37.3 | 172 | -65.8 | 167.2 | 74.6 | 0 | 0 | 112 | W228 I295 L299 I300 L382 H383 F384 W389 G390 | W228-M386 HydrophobicContact CB-CE 4.24Å; W228-M386 HydrophobicContact CG-CE 4.47Å; W228-M386 PolarHBondContact NE1-O 3.34Å; I295-M386 HydrophobicContact CG2-CB 4.34Å; I295-M386 HydrophobicContact CG2-CE 3.65Å; L299-M386 HydrophobicContact CB-CE 4.42Å; L299-M386 HydrophobicContact CD1-CE 3.77Å; I300-M386 HydrophobicContact CD1-SD 3.98Å; L382-M386 HydrophobicContact CG-CG 4.43Å; L382-M386 HydrophobicContact CG-SD 4.33Å; L382-M386 WeakPolarHBondContact O-CG 3.42Å; L382-M386 PolarHBondContact O-N 2.58Å; H383-M386 HydrophobicContact CB-SD 4.47Å; H383-M386 PolarHBondContact O-N 3.09Å; F384-M386 PolarHBondContact O-N 3.3Å; M386-W389 HydrophobicContact CG-CE3 4.43Å; M386-W389 HydrophobicContact CG-CZ3 4.41Å; M386-G390 PolarHBondContact O-N 3.15Å; M386-G390 VanDerWaalsContact O-N 3.15Å |
| 387 | G | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H383 F384 L385 G390 S391 | H383-G387 PolarHBondContact O-N 2.89Å; F384-G387 WeakPolarHBondContact O-CA 3.27Å; F384-G387 PolarHBondContact O-N 3.5Å; F384-G387 VanDerWaalsContact O-N 3.12Å; L385-G387 PolarHBondContact O-N 2.85Å; G387-G390 CarbonylContact O-C 3.52Å; G387-G390 VanDerWaalsContact O-C 3.32Å; G387-G390 PolarHBondContact O-N 3.5Å; G387-S391 VanDerWaalsContact O-CA 3.3Å; G387-S391 WeakPolarHBondContact O-CA 3.32Å; G387-S391 WeakPolarHBondContact O-CB 3.37Å; G387-S391 PolarHBondContact O-N 2.65Å |
| 388 | V | 96.6 | Very high | 91 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63 | -47.7 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | T288 C327 F384 L385 G390 S391 V540 D542 | T288-V388 HydrophobicContact CG2-CB 4.41Å; T288-V388 HydrophobicContact CG2-CG2 3.83Å; C327-V388 HydrophobicContact CB-CG1 3.86Å; F384-V388 HydrophobicContact CE1-CG2 4.07Å; F384-V388 HydrophobicContact CE2-CG2 4.07Å; F384-V388 HydrophobicContact CZ-CG2 3.83Å; F384-V388 WeakPolarHBondContact O-CG2 3.13Å; F384-V388 PolarHBondContact O-N 2.85Å; L385-V388 PolarHBondContact O-N 3.31Å; L385-V388 VanDerWaalsContact O-N 3.11Å; V388-G390 PolarHBondContact O-N 2.86Å; V388-S391 WeakPolarHBondContact O-CB 3.29Å; V388-S391 PolarHBondContact O-N 2.91Å; V388-V540 HydrophobicContact CG1-CB 3.94Å; V388-V540 HydrophobicContact CG1-CG2 3.74Å; V388-V540 HydrophobicContact CG2-CG2 4.24Å; V388-D542 PolarHBondContact O-N 3.38Å |
| 389 | W | 97.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.3 | -26 | 179.6 | -61 | -34.2 | 0 | 0 | 0 | 112.5 | S224 T227 F325 F345 L382 L385 M386 | S224-W389 VanDerWaalsContact CA-O 3.22Å; S224-W389 WeakPolarHBondContact CA-O 3.49Å; S224-W389 PolarHBondContact N-O 3.4Å; T227-W389 HydrophobicContact CG2-CB 4.09Å; T227-W389 HydrophobicContact CG2-CD2 4.32Å; T227-W389 HydrophobicContact CG2-CE3 4.26Å; T227-W389 HydrophobicContact CG2-CG 4.27Å; T227-W389 WeakPolarHBondContact OG1-CB 3.39Å; F325-W389 HydrophobicContact CB-CD2 3.92Å; F325-W389 VanDerWaalsContact CB-CE2 3.46Å; F325-W389 HydrophobicContact CB-CE3 4.26Å; F325-W389 HydrophobicContact CB-CH2 3.82Å; F325-W389 HydrophobicContact CB-CZ2 3.42Å; F325-W389 VanDerWaalsContact CB-CZ2 3.42Å; F325-W389 HydrophobicContact CB-CZ3 4.22Å; F325-W389 HydrophobicContact CD1-CD2 4.43Å; F325-W389 AromaticContact CD1-CE3 3.93Å; F325-W389 HydrophobicContact CD1-CE3 3.93Å; F325-W389 AromaticContact CD1-CH2 3.73Å; F325-W389 HydrophobicContact CD1-CH2 3.73Å; F325-W389 HydrophobicContact CD1-CZ2 4.24Å; F325-W389 AromaticContact CD1-CZ3 3.56Å; F325-W389 HydrophobicContact CD1-CZ3 3.56Å; F325-W389 AromaticContact CD2-CH2 3.79Å; F325-W389 HydrophobicContact CD2-CH2 3.79Å; F325-W389 HydrophobicContact CD2-CZ2 4.03Å; F325-W389 HydrophobicContact CD2-CZ3 4.45Å; F325-W389 HydrophobicContact CE1-CH2 4.14Å; F325-W389 AromaticContact CE1-CZ3 3.89Å; F325-W389 HydrophobicContact CE1-CZ3 3.89Å; F325-W389 HydrophobicContact CE2-CH2 4.23Å; F325-W389 HydrophobicContact CG-CD2 4.43Å; F325-W389 HydrophobicContact CG-CE3 4.29Å; F325-W389 AromaticContact CG-CH2 3.52Å; F325-W389 HydrophobicContact CG-CH2 3.52Å; F325-W389 AromaticContact CG-CZ2 3.67Å; F325-W389 HydrophobicContact CG-CZ2 3.67Å; F325-W389 AromaticContact CG-CZ3 3.85Å; F325-W389 HydrophobicContact CG-CZ3 3.85Å; F325-W389 HydrophobicContact CZ-CH2 4.39Å; F325-W389 HydrophobicContact CZ-CZ3 4.5Å; F345-W389 HydrophobicContact CB-CZ2 3.85Å; F345-W389 HydrophobicContact CD1-CZ2 4.02Å; F345-W389 HydrophobicContact CD2-CZ2 4.48Å; F345-W389 AromaticContact CD2-NE1 3.41Å; F345-W389 AromaticContact CE2-NE1 3.61Å; F345-W389 AromaticContact CG-CZ2 3.88Å; F345-W389 HydrophobicContact CG-CZ2 3.88Å; F345-W389 AromaticContact CG-NE1 3.66Å; L382-W389 HydrophobicContact CD1-CH2 3.98Å; L382-W389 HydrophobicContact CD1-CZ3 4.04Å; L385-W389 HydrophobicContact CB-CD2 4.23Å; L385-W389 HydrophobicContact CB-CE3 4.25Å; L385-W389 HydrophobicContact CB-CH2 3.69Å; L385-W389 HydrophobicContact CB-CZ2 3.66Å; L385-W389 HydrophobicContact CB-CZ3 3.98Å; L385-W389 HydrophobicContact CD1-CH2 4.06Å; L385-W389 HydrophobicContact CD1-CZ2 3.96Å; L385-W389 HydrophobicContact CG-CZ2 4.37Å; L385-W389 WeakPolarHBondContact O-CB 3.45Å; L385-W389 PolarHBondContact O-N 3.1Å; M386-W389 HydrophobicContact CG-CE3 4.43Å; M386-W389 HydrophobicContact CG-CZ3 4.41Å |
| 390 | G | 94.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 23.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F291 M386 G387 V388 A392 F393 D542 | F291-G390 WeakPolarHBondContact CE1-O 3.18Å; M386-G390 PolarHBondContact O-N 3.15Å; M386-G390 VanDerWaalsContact O-N 3.15Å; G387-G390 CarbonylContact O-C 3.52Å; G387-G390 VanDerWaalsContact O-C 3.32Å; G387-G390 PolarHBondContact O-N 3.5Å; V388-G390 PolarHBondContact O-N 2.86Å; G390-A392 PolarHBondContact O-N 2.61Å; G390-F393 WeakPolarHBondContact O-CD2 3.42Å; G390-F393 PolarHBondContact O-N 3.24Å; G390-D542 WeakPolarHBondContact CA-OD2 3.2Å |
| 391 | S | 92.4 | Very high | 87 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68.6 | -7.5 | -169.5 | 81.8 | 0 | 0 | 0 | 0 | 114.8 | G387 V388 F393 S394 I395 V541 D542 | G387-S391 VanDerWaalsContact O-CA 3.3Å; G387-S391 WeakPolarHBondContact O-CA 3.32Å; G387-S391 WeakPolarHBondContact O-CB 3.37Å; G387-S391 PolarHBondContact O-N 2.65Å; V388-S391 WeakPolarHBondContact O-CB 3.29Å; V388-S391 PolarHBondContact O-N 2.91Å; S391-F393 PolarHBondContact O-N 3.43Å; S391-S394 WeakPolarHBondContact O-CA 3.46Å; S391-S394 VanDerWaalsContact O-CB 3.29Å; S391-S394 WeakPolarHBondContact O-CB 3.26Å; S391-S394 PolarHBondContact O-N 3.31Å; S391-I395 WeakPolarHBondContact O-CG1 3.1Å; S391-I395 PolarHBondContact O-N 3.37Å; S391-V541 WeakPolarHBondContact OG-CA 3.47Å; S391-V541 WeakPolarHBondContact OG-CB 3.39Å; S391-D542 PolarHBondContact OG-N 2.92Å |
| 392 | A | 86.9 | Confident | 85.1 | Confident | 5 Ų | 5 | 16.5 Ų | 16.5 | 4% | 0.041 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -55.3 | -39.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G390 I395 L396 L416 D542 | G390-A392 PolarHBondContact O-N 2.61Å; A392-I395 PolarHBondContact O-N 3.32Å; A392-L396 PolarHBondContact O-N 3.39Å; A392-L416 HydrophobicContact CB-CD2 4.43Å; A392-D542 HydrophobicContact CB-CB 3.91Å |
| 393 | F | 85.2 | Confident | 82.8 | Confident | 3 Ų | 3 | 20.5 Ų | 20.5 | 1% | 0.013 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.8 | -31.2 | 175.6 | -62.4 | -73.8 | 0 | 0 | 0 | 113.3 | G194 W228 F291 G390 S391 L396 F397 V400 M412 T671 F674 | G194-F393 VanDerWaalsContact CA-CZ 3.44Å; W228-F393 AromaticContact CH2-CD2 3.59Å; W228-F393 HydrophobicContact CH2-CD2 3.59Å; W228-F393 AromaticContact CH2-CE2 3.48Å; W228-F393 HydrophobicContact CH2-CE2 3.48Å; W228-F393 VanDerWaalsContact CH2-CE2 3.48Å; W228-F393 HydrophobicContact CH2-CG 4.5Å; W228-F393 HydrophobicContact CH2-CZ 4.31Å; W228-F393 AromaticContact CZ2-CD2 3.92Å; W228-F393 HydrophobicContact CZ2-CD2 3.92Å; W228-F393 HydrophobicContact CZ2-CE2 4.09Å; W228-F393 HydrophobicContact CZ3-CE2 4.39Å; F291-F393 HydrophobicContact CE1-CB 3.92Å; F291-F393 HydrophobicContact CE2-CB 3.73Å; F291-F393 HydrophobicContact CZ-CB 3.39Å; F291-F393 HydrophobicContact CZ-CD2 4.13Å; F291-F393 HydrophobicContact CZ-CG 4Å; G390-F393 WeakPolarHBondContact O-CD2 3.42Å; G390-F393 PolarHBondContact O-N 3.24Å; S391-F393 PolarHBondContact O-N 3.43Å; F393-L396 CarbonylContact O-C 3.58Å; F393-F397 WeakPolarHBondContact O-CA 3.44Å; F393-F397 WeakPolarHBondContact O-CB 3.5Å; F393-F397 PolarHBondContact O-N 3.15Å; F393-V400 HydrophobicContact CD1-CG2 4.43Å; F393-M412 HydrophobicContact CD1-CE 3.36Å; F393-M412 HydrophobicContact CE1-CE 3.34Å; F393-M412 HydrophobicContact CG-CE 4.29Å; F393-M412 HydrophobicContact CZ-CE 4.24Å; F393-T671 HydrophobicContact CE1-CG2 3.98Å; F393-T671 WeakPolarHBondContact CE1-O 3.32Å; F393-T671 HydrophobicContact CZ-CG2 3.73Å; F393-F674 HydrophobicContact CB-CZ 4.26Å; F393-F674 AromaticContact CD1-CE2 3.49Å; F393-F674 HydrophobicContact CD1-CE2 3.49Å; F393-F674 VanDerWaalsContact CD1-CE2 3.49Å; F393-F674 AromaticContact CD1-CZ 3.39Å; F393-F674 HydrophobicContact CD1-CZ 3.39Å; F393-F674 HydrophobicContact CD2-CZ 4.03Å; F393-F674 AromaticContact CE1-CE2 3.71Å; F393-F674 HydrophobicContact CE1-CE2 3.71Å; F393-F674 AromaticContact CE1-CZ 3.61Å; F393-F674 HydrophobicContact CE1-CZ 3.61Å; F393-F674 HydrophobicContact CE2-CZ 4.23Å; F393-F674 HydrophobicContact CG-CE2 4.14Å; F393-F674 AromaticContact CG-CZ 3.61Å; F393-F674 HydrophobicContact CG-CZ 3.61Å; F393-F674 HydrophobicContact CZ-CZ 4.03Å |
| 394 | S | 83.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.7 | -49.2 | 171 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | F287 T288 S391 L396 F397 R479 | F287-S394 VanDerWaalsContact CD1-OG 3.31Å; F287-S394 WeakPolarHBondContact CD1-OG 3.19Å; T288-S394 PolarHBondContact N-OG 3.31Å; T288-S394 PolarHBondContact OG1-OG 3.25Å; S391-S394 WeakPolarHBondContact O-CA 3.46Å; S391-S394 VanDerWaalsContact O-CB 3.29Å; S391-S394 WeakPolarHBondContact O-CB 3.26Å; S391-S394 PolarHBondContact O-N 3.31Å; S394-L396 PolarHBondContact O-N 3.24Å; S394-F397 VanDerWaalsContact O-CB 3.3Å; S394-F397 WeakPolarHBondContact O-CB 3.47Å; S394-F397 PolarHBondContact O-N 3.47Å; S394-R479 WeakPolarHBondContact O-CD 3.42Å; S394-R479 PolarHBondContact OG-O 3.26Å |
| 395 | I | 79.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.6 | -29.9 | 179.8 | -65.1 | 166.5 | 0 | 0 | 0 | 112 | S391 A392 I419 I424 R476 R479 V541 L545 | S391-I395 WeakPolarHBondContact O-CG1 3.1Å; S391-I395 PolarHBondContact O-N 3.37Å; A392-I395 PolarHBondContact O-N 3.32Å; I395-I419 HydrophobicContact CG2-CD1 4.13Å; I395-I424 HydrophobicContact CD1-CD1 4.36Å; I395-I424 HydrophobicContact CD1-CG1 4.46Å; I395-R476 HydrophobicContact CG2-CB 4.34Å; I395-R476 HydrophobicContact CG2-CG 3.98Å; I395-R479 PolarHBondContact O-NH1 2.66Å; I395-R479 PolarHBondContact O-NH2 3.14Å; I395-V541 HydrophobicContact CD1-CB 4.48Å; I395-V541 HydrophobicContact CD1-CG1 4.1Å; I395-L545 HydrophobicContact CD1-CD1 4.1Å |
| 396 | L | 79.3 | Confident | 74.5 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 23.6 | 178.7 | -63.6 | 177 | 0 | 0 | 0 | 113.3 | A392 F393 S394 N398 R399 V400 M412 E415 L416 I419 F672 | A392-L396 PolarHBondContact O-N 3.39Å; F393-L396 CarbonylContact O-C 3.58Å; S394-L396 PolarHBondContact O-N 3.24Å; L396-N398 VanDerWaalsContact C-N 3.26Å; L396-N398 PolarHBondContact O-N 2.86Å; L396-N398 VanDerWaalsContact O-N 3.11Å; L396-R399 WeakPolarHBondContact O-CB 3.35Å; L396-R399 PolarHBondContact O-N 3.17Å; L396-V400 PolarHBondContact O-N 2.87Å; L396-M412 HydrophobicContact CB-SD 4.22Å; L396-M412 HydrophobicContact CD1-CE 4.47Å; L396-M412 HydrophobicContact CD1-SD 3.24Å; L396-M412 WeakPolarHBondContact CD1-SD 3.19Å; L396-M412 HydrophobicContact CG-SD 4.32Å; L396-E415 HydrophobicContact CD1-CB 4Å; L396-L416 HydrophobicContact CD1-CD2 3.7Å; L396-L416 HydrophobicContact CD1-CG 4.44Å; L396-I419 HydrophobicContact CD1-CD1 4.14Å; L396-I419 HydrophobicContact CD2-CD1 4.17Å; L396-I419 HydrophobicContact CG-CD1 4.26Å; L396-F672 HydrophobicContact CB-CE1 4.3Å |
| 397 | F | 75.9 | Confident | 71.4 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.1 | -32.2 | -172.8 | -168.2 | -111 | 0 | 0 | 0 | 115.1 | L263 F287 L294 F393 S394 R399 V400 L401 | L263-F397 HydrophobicContact CD1-CE1 4.46Å; L263-F397 HydrophobicContact CD1-CZ 3.69Å; F287-F397 HydrophobicContact CD1-CB 4.15Å; F287-F397 HydrophobicContact CD1-CD1 4.47Å; F287-F397 HydrophobicContact CD1-CG 4.21Å; F287-F397 HydrophobicContact CE1-CB 3.58Å; F287-F397 AromaticContact CE1-CD1 3.41Å; F287-F397 HydrophobicContact CE1-CD1 3.41Å; F287-F397 VanDerWaalsContact CE1-CD1 3.41Å; F287-F397 AromaticContact CE1-CD2 3.5Å; F287-F397 HydrophobicContact CE1-CD2 3.5Å; F287-F397 AromaticContact CE1-CE1 3.86Å; F287-F397 HydrophobicContact CE1-CE1 3.86Å; F287-F397 AromaticContact CE1-CE2 3.96Å; F287-F397 HydrophobicContact CE1-CE2 3.96Å; F287-F397 AromaticContact CE1-CG 3.2Å; F287-F397 HydrophobicContact CE1-CG 3.2Å; F287-F397 HydrophobicContact CE1-CZ 4.12Å; F287-F397 HydrophobicContact CE2-CD1 4.26Å; F287-F397 HydrophobicContact CE2-CE1 4.21Å; F287-F397 HydrophobicContact CZ-CB 4.36Å; F287-F397 AromaticContact CZ-CD1 3.28Å; F287-F397 HydrophobicContact CZ-CD1 3.28Å; F287-F397 AromaticContact CZ-CD2 3.9Å; F287-F397 HydrophobicContact CZ-CD2 3.9Å; F287-F397 AromaticContact CZ-CE1 3.28Å; F287-F397 HydrophobicContact CZ-CE1 3.28Å; F287-F397 AromaticContact CZ-CE2 3.91Å; F287-F397 HydrophobicContact CZ-CE2 3.91Å; F287-F397 AromaticContact CZ-CG 3.59Å; F287-F397 HydrophobicContact CZ-CG 3.59Å; F287-F397 AromaticContact CZ-CZ 3.62Å; F287-F397 HydrophobicContact CZ-CZ 3.62Å; L294-F397 HydrophobicContact CD2-CE2 4.44Å; F393-F397 WeakPolarHBondContact O-CA 3.44Å; F393-F397 WeakPolarHBondContact O-CB 3.5Å; F393-F397 PolarHBondContact O-N 3.15Å; S394-F397 VanDerWaalsContact O-CB 3.3Å; S394-F397 WeakPolarHBondContact O-CB 3.47Å; S394-F397 PolarHBondContact O-N 3.47Å; F397-R399 PolarHBondContact O-N 3.44Å; F397-V400 HydrophobicContact CD2-CB 4.19Å; F397-V400 HydrophobicContact CD2-CG2 4.46Å; F397-V400 HydrophobicContact CE2-CG1 4.49Å; F397-V400 WeakPolarHBondContact O-CA 3.28Å; F397-V400 WeakPolarHBondContact O-CB 3.44Å; F397-V400 PolarHBondContact O-N 3.05Å; F397-L401 HydrophobicContact CD1-CD1 3.8Å; F397-L401 HydrophobicContact CD1-CG 4.08Å; F397-L401 HydrophobicContact CE1-CD1 3.42Å; F397-L401 VanDerWaalsContact CE1-CD1 3.42Å; F397-L401 HydrophobicContact CE1-CD2 4.05Å; F397-L401 HydrophobicContact CE1-CG 3.69Å; F397-L401 HydrophobicContact CZ-CD1 4.23Å; F397-L401 HydrophobicContact CZ-CD2 4.01Å; F397-L401 HydrophobicContact CZ-CG 4.05Å; F397-L401 PolarHBondContact O-N 2.78Å; F397-L401 VanDerWaalsContact O-N 3.08Å |
| 398 | N | 69.9 | Low | 68.9 | Low | 67 Ų | 67 | 48.5 Ų | 48.5 | 36% | 0.358 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.6 | -32.2 | 177 | -65.7 | -14.4 | 0 | 0 | 0 | 112.4 | L396 G402 V403 | L396-N398 VanDerWaalsContact C-N 3.26Å; L396-N398 PolarHBondContact O-N 2.86Å; L396-N398 VanDerWaalsContact O-N 3.11Å; N398-G402 PolarHBondContact O-N 3.21Å; N398-V403 PolarHBondContact O-N 2.92Å |
| 399 | R | 69.6 | Low | 66.9 | Low | 77 Ų | 77 | 52.7 Ų | 52.7 | 29% | 0.291 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71.5 | -39.9 | 172 | -81.3 | -119.2 | -178.7 | 172.2 | 4.5 | 112.6 | L396 F397 L401 G402 S410 E415 F672 | L396-R399 WeakPolarHBondContact O-CB 3.35Å; L396-R399 PolarHBondContact O-N 3.17Å; F397-R399 PolarHBondContact O-N 3.44Å; R399-L401 PolarHBondContact O-N 3.04Å; R399-G402 PolarHBondContact O-N 3.4Å; R399-S410 VanDerWaalsContact CZ-OG 3.26Å; R399-S410 PolarHBondContact NH1-O 3.04Å; R399-S410 PolarHBondContact NH1-OG 3.19Å; R399-S410 PolarHBondContact NH2-OG 2.8Å; R399-E415 WeakPolarHBondContact CD-OE2 3.43Å; R399-E415 WeakPolarHBondContact CG-OE2 3.24Å; R399-E415 IonicContact CZ-OE1 3.79Å; R399-E415 IonicContact CZ-OE2 3.94Å; R399-E415 IonicContact NE-OE1 3.66Å; R399-E415 PolarHBondContact NE-OE1 3.26Å; R399-E415 IonicContact NE-OE2 3.62Å; R399-E415 PolarHBondContact NE-OE2 3.43Å; R399-E415 IonicContact NH1-OE1 3.73Å; R399-E415 VanDerWaalsContact NH2-CD 3.32Å; R399-E415 IonicContact NH2-OE1 2.74Å; R399-E415 PolarHBondContact NH2-OE1 3.36Å; R399-F672 HydrophobicContact CB-CD1 4.34Å; R399-F672 HydrophobicContact CB-CE1 3.69Å; R399-F672 HydrophobicContact CB-CZ 3.94Å; R399-F672 HydrophobicContact CG-CZ 4.34Å |
| 400 | V | 67.2 | Low | 65.2 | Low | 20 Ų | 20 | 54.4 Ų | 54.4 | 12% | 0.121 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.7 | -32.2 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | L260 F393 L396 F397 F672 F674 | L260-V400 HydrophobicContact CD2-CG1 4.37Å; F393-V400 HydrophobicContact CD1-CG2 4.43Å; L396-V400 PolarHBondContact O-N 2.87Å; F397-V400 HydrophobicContact CD2-CB 4.19Å; F397-V400 HydrophobicContact CD2-CG2 4.46Å; F397-V400 HydrophobicContact CE2-CG1 4.49Å; F397-V400 WeakPolarHBondContact O-CA 3.28Å; F397-V400 WeakPolarHBondContact O-CB 3.44Å; F397-V400 PolarHBondContact O-N 3.05Å; V400-F672 HydrophobicContact CG2-CD1 4.05Å; V400-F672 HydrophobicContact CG2-CE1 4.44Å; V400-F674 HydrophobicContact CG1-CD2 4.03Å; V400-F674 HydrophobicContact CG1-CE2 4.18Å; V400-F674 HydrophobicContact CG2-CE2 4.48Å |
| 401 | L | 65.1 | Low | 64 | Low | 63 Ų | 63 | 57.4 Ų | 57.4 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -5.6 | 175.1 | -65.6 | 179 | 0 | 0 | 0 | 114.8 | L260 L263 F397 R399 V403 | L260-L401 HydrophobicContact CD1-CD2 4.28Å; L260-L401 HydrophobicContact CD2-CD2 4.03Å; L263-L401 HydrophobicContact CD1-CD2 4.41Å; F397-L401 HydrophobicContact CD1-CD1 3.8Å; F397-L401 HydrophobicContact CD1-CG 4.08Å; F397-L401 HydrophobicContact CE1-CD1 3.42Å; F397-L401 VanDerWaalsContact CE1-CD1 3.42Å; F397-L401 HydrophobicContact CE1-CD2 4.05Å; F397-L401 HydrophobicContact CE1-CG 3.69Å; F397-L401 HydrophobicContact CZ-CD1 4.23Å; F397-L401 HydrophobicContact CZ-CD2 4.01Å; F397-L401 HydrophobicContact CZ-CG 4.05Å; F397-L401 PolarHBondContact O-N 2.78Å; F397-L401 VanDerWaalsContact O-N 3.08Å; R399-L401 PolarHBondContact O-N 3.04Å; L401-V403 HydrophobicContact CB-CG2 3.97Å |
| 402 | G | 58.3 | Low | 63.1 | Low | 67 Ų | 67 | 57.5 Ų | 57.5 | 69% | 0.691 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 24.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | N398 R399 | N398-G402 PolarHBondContact O-N 3.21Å; R399-G402 PolarHBondContact O-N 3.4Å |
| 403 | V | 48.4 | Very low | 62.5 | Low | 85 Ų | 85 | 59.3 Ų | 59.3 | 52% | 0.515 | 38% | 0.379 | S | S | . | . | trans | -102.8 | 83.7 | -174.9 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | N398 L401 | N398-V403 PolarHBondContact O-N 2.92Å; L401-V403 HydrophobicContact CB-CG2 3.97Å | ||
| 404 | K | 44.6 | Very low | 62 | Low | 188 Ų | 188 | 63.5 Ų | 63.5 | 82% | 0.817 | 40% | 0.398 | S | S | * | . | trans | -174.4 | 159.1 | 144.8 | -116 | -172 | -179.8 | -173.1 | 0 | 116.8 | T406 | K404-T406 PolarHBondContact O-N 3.34Š| ||
| 405 | D | 39.5 | Very low | 61.5 | Low | 149 Ų | 149 | 64.8 Ų | 64.8 | 80% | 0.797 | 40% | 0.404 | S | S | * | . | trans | -85.6 | 30.3 | -165.1 | -64 | -64.2 | 0 | 0 | 0 | 118.3 | ||||
| 406 | T | 34.8 | Very low | 61.2 | Low | 106 Ų | 106 | 66.4 Ų | 66.4 | 65% | 0.65 | 41% | 0.413 | S | S | * | . | trans | -110.1 | 116.9 | 177.4 | 43.9 | 0 | 0 | 0 | 0 | 111.6 | K404 G408 | K404-T406 PolarHBondContact O-N 3.34Å; T406-G408 PolarHBondContact O-N 2.98Å | ||
| 407 | A | 33.8 | Very low | 60.8 | Low | 118 Ų | 118 | 72.3 Ų | 72.3 | 98% | 0.975 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -60.1 | 101 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 408 | G | 43.5 | Very low | 60.7 | Low | 55 Ų | 55 | 78.5 Ų | 78.5 | 57% | 0.567 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 139.7 | 105.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T406 S410 | T406-G408 PolarHBondContact O-N 2.98Å; G408-S410 PolarHBondContact O-N 3.46Å |
| 409 | G | 53.9 | Low | 60.8 | Low | 87 Ų | 87 | 75.8 Ų | 75.8 | 90% | 0.897 | 45% | 0.454 | S | S | * | . | trans | -72.7 | 103.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 410 | S | 62.7 | Low | 60.9 | Low | 37 Ų | 37 | 78.1 Ų | 78.1 | 26% | 0.259 | 47% | 0.467 | S | S | . | . | trans | -86 | 150.8 | 173.7 | 18.9 | 0 | 0 | 0 | 0 | 111.9 | R399 G408 E414 | R399-S410 VanDerWaalsContact CZ-OG 3.26Å; R399-S410 PolarHBondContact NH1-O 3.04Å; R399-S410 PolarHBondContact NH1-OG 3.19Å; R399-S410 PolarHBondContact NH2-OG 2.8Å; G408-S410 PolarHBondContact O-N 3.46Å; S410-E414 WeakPolarHBondContact CA-OE2 3.32Å; S410-E414 WeakPolarHBondContact CB-OE2 3.23Å | ||
| 411 | T | 69.6 | Low | 61 | Low | 62 Ų | 62 | 77.4 Ų | 77.4 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | trans | -72.4 | 166.4 | 177.5 | 61.6 | 0 | 0 | 0 | 0 | 111.9 | E413 E414 E415 | T411-E413 VanDerWaalsContact C-N 3.25Å; T411-E413 PolarHBondContact O-N 3.12Å; T411-E414 PolarHBondContact N-OE2 2.7Å; T411-E414 VanDerWaalsContact N-OE2 3.17Å; T411-E414 VanDerWaalsContact OG1-CG 3.23Å; T411-E414 WeakPolarHBondContact OG1-CG 3.5Å; T411-E414 PolarHBondContact OG1-N 3.48Å; T411-E414 PolarHBondContact OG1-OE1 3.13Å; T411-E414 VanDerWaalsContact OG1-OE1 3.11Å; T411-E415 PolarHBondContact O-N 3.29Å | ||
| 412 | M | 73.1 | Confident | 61.1 | Low | 2 Ų | 2 | 81.2 Ų | 81.2 | 1% | 0.01 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 175.5 | 175.6 | 69.4 | 93.9 | 0 | 0 | 109.4 | F393 L396 E414 E415 L416 T671 F672 | F393-M412 HydrophobicContact CD1-CE 3.36Å; F393-M412 HydrophobicContact CE1-CE 3.34Å; F393-M412 HydrophobicContact CG-CE 4.29Å; F393-M412 HydrophobicContact CZ-CE 4.24Å; L396-M412 HydrophobicContact CB-SD 4.22Å; L396-M412 HydrophobicContact CD1-CE 4.47Å; L396-M412 HydrophobicContact CD1-SD 3.24Å; L396-M412 WeakPolarHBondContact CD1-SD 3.19Å; L396-M412 HydrophobicContact CG-SD 4.32Å; M412-E414 PolarHBondContact O-N 2.66Å; M412-E415 PolarHBondContact O-N 3Å; M412-E415 VanDerWaalsContact O-N 3.1Å; M412-L416 HydrophobicContact CG-CD1 4.01Å; M412-L416 HydrophobicContact CG-CG 4.07Å; M412-L416 VanDerWaalsContact O-CG 3.3Å; M412-L416 WeakPolarHBondContact O-CG 3.49Å; M412-L416 PolarHBondContact O-N 2.84Å; M412-L416 HydrophobicContact SD-CD2 4.34Å; M412-L416 HydrophobicContact SD-CG 4.32Å; M412-T671 HydrophobicContact CB-CG2 4.01Å; M412-T671 HydrophobicContact CG-CG2 3.94Å; M412-F672 HydrophobicContact CB-CD2 3.86Å; M412-F672 HydrophobicContact CB-CE1 4.38Å; M412-F672 HydrophobicContact CB-CE2 3.44Å; M412-F672 VanDerWaalsContact CB-CE2 3.44Å; M412-F672 HydrophobicContact CB-CG 4.5Å; M412-F672 HydrophobicContact CB-CZ 3.72Å; M412-F672 HydrophobicContact CE-CD1 3.37Å; M412-F672 HydrophobicContact CE-CE1 3.02Å; M412-F672 HydrophobicContact CE-CE2 4.38Å; M412-F672 HydrophobicContact CE-CG 4.19Å; M412-F672 HydrophobicContact CE-CZ 3.6Å; M412-F672 HydrophobicContact CG-CE1 4.46Å; M412-F672 HydrophobicContact CG-CE2 4.32Å; M412-F672 HydrophobicContact CG-CZ 4.09Å; M412-F672 VanDerWaalsContact N-CE2 3.29Å; M412-F672 HydrophobicContact SD-CD1 4.2Å; M412-F672 HydrophobicContact SD-CE1 3.36Å; M412-F672 WeakPolarHBondContact SD-CE1 3.14Å; M412-F672 HydrophobicContact SD-CE2 4.05Å; M412-F672 HydrophobicContact SD-CZ 3.25Å; M412-F672 WeakPolarHBondContact SD-CZ 3.45Å |
| 413 | E | 74.1 | Confident | 61.7 | Low | 43 Ų | 43 | 81.7 Ų | 81.7 | 20% | 0.201 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | -175.4 | -64.4 | 71.5 | -160.5 | 0 | 0 | 111.3 | T411 E415 L416 E417 A571 T671 | T411-E413 VanDerWaalsContact C-N 3.25Å; T411-E413 PolarHBondContact O-N 3.12Å; E413-E415 VanDerWaalsContact C-N 3.33Å; E413-E415 PolarHBondContact O-N 3.07Å; E413-L416 PolarHBondContact O-N 2.7Å; E413-E417 WeakPolarHBondContact O-CG 3.3Å; E413-E417 PolarHBondContact O-N 3.37Å; E413-A571 HydrophobicContact CG-CB 3.92Å; E413-A571 VanDerWaalsContact OE1-CB 3.27Å; E413-A571 WeakPolarHBondContact OE1-CB 3.27Å; E413-T671 WeakPolarHBondContact OE1-CB 3.45Å; E413-T671 PolarHBondContact OE1-OG1 2.82Å |
| 414 | E | 75.8 | Confident | 62.6 | Low | 91 Ų | 91 | 77.7 Ų | 77.7 | 43% | 0.425 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.9 | -37.9 | 172.5 | -76.5 | 160.2 | -148.8 | 0 | 0 | 113 | S410 T411 M412 Q418 | S410-E414 WeakPolarHBondContact CA-OE2 3.32Å; S410-E414 WeakPolarHBondContact CB-OE2 3.23Å; T411-E414 PolarHBondContact N-OE2 2.7Å; T411-E414 VanDerWaalsContact N-OE2 3.17Å; T411-E414 VanDerWaalsContact OG1-CG 3.23Å; T411-E414 WeakPolarHBondContact OG1-CG 3.5Å; T411-E414 PolarHBondContact OG1-N 3.48Å; T411-E414 PolarHBondContact OG1-OE1 3.13Å; T411-E414 VanDerWaalsContact OG1-OE1 3.11Å; M412-E414 PolarHBondContact O-N 2.66Å; E414-Q418 WeakPolarHBondContact O-CG 3.39Å |
| 415 | E | 72.2 | Confident | 63.5 | Low | 28 Ų | 28 | 69.1 Ų | 69.1 | 13% | 0.131 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -72.9 | -39.4 | 175.5 | -70.8 | -153.3 | 135.8 | 0 | 0 | 112 | L396 R399 T411 M412 E413 E417 Q418 I419 | L396-E415 HydrophobicContact CD1-CB 4Å; R399-E415 WeakPolarHBondContact CD-OE2 3.43Å; R399-E415 WeakPolarHBondContact CG-OE2 3.24Å; R399-E415 IonicContact CZ-OE1 3.79Å; R399-E415 IonicContact CZ-OE2 3.94Å; R399-E415 IonicContact NE-OE1 3.66Å; R399-E415 PolarHBondContact NE-OE1 3.26Å; R399-E415 IonicContact NE-OE2 3.62Å; R399-E415 PolarHBondContact NE-OE2 3.43Å; R399-E415 IonicContact NH1-OE1 3.73Å; R399-E415 VanDerWaalsContact NH2-CD 3.32Å; R399-E415 IonicContact NH2-OE1 2.74Å; R399-E415 PolarHBondContact NH2-OE1 3.36Å; T411-E415 PolarHBondContact O-N 3.29Å; M412-E415 PolarHBondContact O-N 3Å; M412-E415 VanDerWaalsContact O-N 3.1Å; E413-E415 VanDerWaalsContact C-N 3.33Å; E413-E415 PolarHBondContact O-N 3.07Å; E415-E417 VanDerWaalsContact C-N 3.29Å; E415-E417 PolarHBondContact O-N 3.06Å; E415-Q418 WeakPolarHBondContact O-CB 3.09Å; E415-Q418 PolarHBondContact O-N 3.13Å; E415-I419 WeakPolarHBondContact O-CG1 3.33Å; E415-I419 PolarHBondContact O-N 3.21Å |
| 416 | L | 73.3 | Confident | 64.4 | Low | 33 Ų | 33 | 63.4 Ų | 63.4 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 177.8 | -69.8 | -173.4 | 0 | 0 | 0 | 111.3 | A392 L396 M412 E413 Q418 I419 L545 | A392-L416 HydrophobicContact CB-CD2 4.43Å; L396-L416 HydrophobicContact CD1-CD2 3.7Å; L396-L416 HydrophobicContact CD1-CG 4.44Å; M412-L416 HydrophobicContact CG-CD1 4.01Å; M412-L416 HydrophobicContact CG-CG 4.07Å; M412-L416 VanDerWaalsContact O-CG 3.3Å; M412-L416 WeakPolarHBondContact O-CG 3.49Å; M412-L416 PolarHBondContact O-N 2.84Å; M412-L416 HydrophobicContact SD-CD2 4.34Å; M412-L416 HydrophobicContact SD-CG 4.32Å; E413-L416 PolarHBondContact O-N 2.7Å; L416-Q418 PolarHBondContact O-N 3.27Å; L416-I419 HydrophobicContact CD2-CD1 3.75Å; L416-I419 PolarHBondContact O-N 2.8Å; L416-L545 HydrophobicContact CD2-CD2 3.54Å |
| 417 | E | 71.1 | Confident | 64.8 | Low | 133 Ų | 133 | 67.5 Ų | 67.5 | 62% | 0.621 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.2 | 175 | -74.7 | 178.4 | 179.2 | 0 | 0 | 113.3 | E413 E415 K581 | E413-E417 WeakPolarHBondContact O-CG 3.3Å; E413-E417 PolarHBondContact O-N 3.37Å; E415-E417 VanDerWaalsContact C-N 3.29Å; E415-E417 PolarHBondContact O-N 3.06Å; E417-K581 IonicContact OE1-NZ 2.8Å; E417-K581 PolarHBondContact OE1-NZ 3.49Å |
| 418 | Q | 73.9 | Confident | 65.1 | Low | 137 Ų | 137 | 67.5 Ų | 67.5 | 64% | 0.64 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -7.1 | 177.8 | -61.5 | 175 | 15 | 0 | 0 | 113.2 | E414 E415 L416 K420 | E414-Q418 WeakPolarHBondContact O-CG 3.39Å; E415-Q418 WeakPolarHBondContact O-CB 3.09Å; E415-Q418 PolarHBondContact O-N 3.13Å; L416-Q418 PolarHBondContact O-N 3.27Å; Q418-K420 PolarHBondContact O-N 2.89Å |
| 419 | I | 71.6 | Confident | 64.7 | Low | 10 Ų | 10 | 69.8 Ų | 69.8 | 5% | 0.051 | 38% | 0.381 | C | S | . | . | trans | -81.5 | 114.7 | -179.5 | -62.1 | 178 | 0 | 0 | 0 | 109.9 | I395 L396 E415 L416 I424 L545 | I395-I419 HydrophobicContact CG2-CD1 4.13Å; L396-I419 HydrophobicContact CD1-CD1 4.14Å; L396-I419 HydrophobicContact CD2-CD1 4.17Å; L396-I419 HydrophobicContact CG-CD1 4.26Å; E415-I419 WeakPolarHBondContact O-CG1 3.33Å; E415-I419 PolarHBondContact O-N 3.21Å; L416-I419 HydrophobicContact CD2-CD1 3.75Å; L416-I419 PolarHBondContact O-N 2.8Å; I419-I424 HydrophobicContact CG2-CD1 3.73Å; I419-I424 HydrophobicContact CG2-CG1 3.8Å; I419-L545 HydrophobicContact CD1-CD2 4.32Å | ||
| 420 | K | 73.3 | Confident | 63.7 | Low | 127 Ų | 127 | 73.1 Ų | 73.1 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | trans | -90.6 | 154.1 | 168.6 | -62 | -174.9 | 178 | -175.8 | 0 | 111.2 | Q418 Q422 H423 | Q418-K420 PolarHBondContact O-N 2.89Å; K420-Q422 VanDerWaalsContact C-N 3.26Å; K420-Q422 PolarHBondContact O-N 3.05Å; K420-H423 PolarHBondContact N-ND1 2.97Å; K420-H423 WeakPolarHBondContact O-CB 3.1Å; K420-H423 PolarHBondContact O-N 2.85Å | ||
| 421 | P | 69.5 | Low | 62.4 | Low | 5 Ų | 5 | 74.7 Ų | 74.7 | 3% | 0.032 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -49.1 | -44.8 | 174.7 | -31.5 | 38.2 | 0 | 0 | 0 | 113.5 | V330 V334 L337 H423 I424 V425 | V330-P421 HydrophobicContact CG1-CB 4.07Å; V334-P421 VanDerWaalsContact O-CB 3.24Å; V334-P421 WeakPolarHBondContact O-CB 3.33Å; V334-P421 VanDerWaalsContact O-CG 3.24Å; V334-P421 WeakPolarHBondContact O-CG 2.97Å; L337-P421 HydrophobicContact CD2-CG 4.23Å; L337-P421 HydrophobicContact CG-CG 4.06Å; P421-H423 PolarHBondContact O-N 3.43Å; P421-I424 WeakPolarHBondContact O-CA 3.5Å; P421-I424 WeakPolarHBondContact O-CB 3.22Å; P421-I424 PolarHBondContact O-N 2.94Å; P421-V425 WeakPolarHBondContact O-CG2 3.46Å; P421-V425 PolarHBondContact O-N 2.88Å |
| 422 | Q | 66.9 | Low | 60.6 | Low | 143 Ų | 143 | 78 Ų | 78 | 67% | 0.668 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -56 | -21.6 | 177.2 | -64.8 | 171.4 | -13.8 | 0 | 0 | 114.6 | K420 V425 | K420-Q422 VanDerWaalsContact C-N 3.26Å; K420-Q422 PolarHBondContact O-N 3.05Å; Q422-V425 VanDerWaalsContact O-O 3.08Å |
| 423 | H | 70 | Confident | 59 | Low | 77 Ų | 77 | 83 Ų | 83 | 36% | 0.356 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -78.3 | -24.4 | 173.7 | -59 | 153.3 | 0 | 0 | 0 | 111.9 | K420 P421 R476 | K420-H423 PolarHBondContact N-ND1 2.97Å; K420-H423 WeakPolarHBondContact O-CB 3.1Å; K420-H423 PolarHBondContact O-N 2.85Å; P421-H423 PolarHBondContact O-N 3.43Å; H423-R476 PolarHBondContact ND1-NH1 2.83Å; H423-R476 WeakPolarHBondContact O-CB 3.48Å |
| 424 | I | 66.7 | Low | 57.3 | Low | 0 Ų | 0 | 84.9 Ų | 84.9 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -96 | -34.5 | -174.9 | -57.5 | 179.2 | 0 | 0 | 0 | 111.4 | L337 I395 I419 P421 E477 A480 V541 L545 | L337-I424 HydrophobicContact CD2-CD1 4.11Å; I395-I424 HydrophobicContact CD1-CD1 4.36Å; I395-I424 HydrophobicContact CD1-CG1 4.46Å; I419-I424 HydrophobicContact CG2-CD1 3.73Å; I419-I424 HydrophobicContact CG2-CG1 3.8Å; P421-I424 WeakPolarHBondContact O-CA 3.5Å; P421-I424 WeakPolarHBondContact O-CB 3.22Å; P421-I424 PolarHBondContact O-N 2.94Å; I424-E477 VanDerWaalsContact O-CA 3.24Å; I424-E477 WeakPolarHBondContact O-CA 3.48Å; I424-E477 WeakPolarHBondContact O-CG 3.35Å; I424-A480 HydrophobicContact CG2-CB 3.71Å; I424-V541 HydrophobicContact CG2-CG1 3.76Å; I424-L545 HydrophobicContact CD1-CD1 3.91Å |
| 425 | V | 63.9 | Low | 55 | Low | 8 Ų | 8 | 88.5 Ų | 88.5 | 5% | 0.048 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -107.9 | 111.2 | 177 | -66.7 | 0 | 0 | 0 | 0 | 107.7 | V330 P332 P421 Q422 H539 | V330-V425 HydrophobicContact CB-CG1 4.28Å; V330-V425 HydrophobicContact CG1-CG1 3.93Å; P332-V425 HydrophobicContact CB-CB 4.28Å; P332-V425 HydrophobicContact CB-CG2 4.07Å; P421-V425 WeakPolarHBondContact O-CG2 3.46Å; P421-V425 PolarHBondContact O-N 2.88Å; Q422-V425 VanDerWaalsContact O-O 3.08Å; V425-H539 HydrophobicContact CG1-CB 4.14Å |
| 426 | G | 58.8 | Low | 53 | Low | 30 Ų | 30 | 92.8 Ų | 92.8 | 31% | 0.309 | 48% | 0.484 | S | S | . | . | trans | -70.3 | 175.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D428 E477 | G426-D428 PolarHBondContact O-N 3.02Å; G426-E477 WeakPolarHBondContact CA-OE2 3.4Å; G426-E477 PolarHBondContact N-OE2 2.96Å | ||
| 427 | E | 43.2 | Very low | 50.9 | Low | 192 Ų | 192 | 102.4 Ų | 102.4 | 90% | 0.897 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -76.3 | -5 | -179.4 | -73.8 | -172 | 158.1 | 0 | 0 | 114.1 | S429 | E427-S429 PolarHBondContact O-N 2.74Š|
| 428 | D | 41.2 | Very low | 48.8 | Very low | 118 Ų | 118 | 106 Ų | 106 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | trans | -87 | 77.2 | -171.8 | -68.3 | -32.1 | 0 | 0 | 0 | 113.1 | G426 L430 | G426-D428 PolarHBondContact O-N 3.02Å; D428-L430 PolarHBondContact O-N 3.08Å | ||
| 429 | S | 34.8 | Very low | 46.7 | Very low | 103 Ų | 103 | 103.4 Ų | 103.4 | 72% | 0.72 | 54% | 0.541 | S | S | * | . | trans | -80.7 | 9.3 | 166.7 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | E427 | E427-S429 PolarHBondContact O-N 2.74Š| ||
| 430 | L | 32.3 | Very low | 44.7 | Very low | 156 Ų | 156 | 106.3 Ų | 106.3 | 82% | 0.817 | 57% | 0.574 | S | S | * | * | trans | -128.4 | 51.4 | -176.6 | -65.5 | 172.8 | 0 | 0 | 0 | 113.3 | D428 N432 | D428-L430 PolarHBondContact O-N 3.08Å; L430-N432 PolarHBondContact O-N 3.07Å | ||
| 431 | D | 35.3 | Very low | 42.4 | Very low | 70 Ų | 70 | 107.3 Ų | 107.3 | 37% | 0.374 | 59% | 0.591 | S | S | . | * | trans | -70.6 | 95.9 | 165.5 | -93.1 | -14.7 | 0 | 0 | 0 | 110.3 | D433 K536 K537 | D431-D433 VanDerWaalsContact C-N 3.34Å; D431-D433 PolarHBondContact O-N 3.49Å; D431-K536 PolarHBondContact O-NZ 3.27Å; D431-K537 IonicContact OD2-NZ 3.19Å; D431-K537 PolarHBondContact OD2-NZ 3.11Å | ||
| 432 | N | 31.8 | Very low | 41.3 | Very low | 133 Ų | 133 | 115.9 Ų | 115.9 | 71% | 0.711 | 63% | 0.63 | S | S | * | * | trans | -78.9 | 83.9 | 159.1 | -94.5 | -18.1 | 0 | 0 | 0 | 109 | L430 D434 | L430-N432 PolarHBondContact O-N 3.07Å; N432-D434 PolarHBondContact O-N 2.85Å | ||
| 433 | D | 39.3 | Very low | 39.9 | Very low | 106 Ų | 106 | 115.7 Ų | 115.7 | 57% | 0.567 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 8.3 | 174 | -80.9 | -39.4 | 0 | 0 | 0 | 114 | D431 K537 | D431-D433 VanDerWaalsContact C-N 3.34Å; D431-D433 PolarHBondContact O-N 3.49Å; D433-K537 IonicContact OD2-NZ 3.85Å; D433-K537 PolarHBondContact OD2-NZ 2.9Å |
| 434 | D | 38.1 | Very low | 38 | Very low | 82 Ų | 82 | 120.2 Ų | 120.2 | 44% | 0.439 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123 | 16.8 | -167.7 | -77.2 | -43.1 | 0 | 0 | 0 | 116.6 | N432 | N432-D434 PolarHBondContact O-N 2.85Š|
| 435 | E | 28.1 | Very low | 36.4 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | trans | -109.7 | 132.4 | 170.5 | -80.8 | -149.9 | 158.6 | 0 | 0 | 114.2 | R437 | E435-R437 PolarHBondContact O-N 3.08Š| ||
| 436 | P | 29.5 | Very low | 35.1 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 122.3 | 166.5 | 26.3 | -25.2 | 0 | 0 | 0 | 110 | K438 | P436-K438 PolarHBondContact O-N 3.15Š|
| 437 | R | 29.7 | Very low | 34 | Very low | 235 Ų | 235 | 136.3 Ų | 136.3 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 118.8 | -178.6 | -66.8 | 176.7 | 175.9 | 177.6 | -3.9 | 111.8 | E435 | E435-R437 PolarHBondContact O-N 3.08Š|
| 438 | K | 26 | Very low | 33.7 | Very low | 209 Ų | 209 | 133.6 Ų | 133.6 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 134.2 | 161.1 | -87 | -177.5 | 177 | 175 | 0 | 109.9 | P436 | P436-K438 PolarHBondContact O-N 3.15Š|
| 439 | G | 30.1 | Very low | 33.4 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 84% | 0.835 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 143.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 440 | G | 29.5 | Very low | 33.5 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | trans | 92.6 | 116.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 441 | T | 26.5 | Very low | 33.7 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 91% | 0.908 | 71% | 0.712 | S | S | * | * | -161.9 | 130.3 | 111.3 | 34.1 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 442 | E | 45.4 | Very low | 34.1 | Very low | 184 Ų | 184 | 139 Ų | 139 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | trans | -64.5 | 132.6 | 166.8 | -67.1 | 174.2 | 150.2 | 0 | 0 | 109.9 | ||||
| 443 | N | 37.8 | Very low | 34.5 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | 176.2 | 140.7 | 128.7 | -94.4 | -37.6 | 0 | 0 | 0 | 113.7 | D445 | N443-D445 PolarHBondContact O-N 2.84Š| |||
| 444 | Q | 30 | Very low | 34.5 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 80% | 0.799 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 77.1 | -20.7 | 156.4 | -67.8 | 177 | -1 | 0 | 0 | 120.9 | ||
| 445 | D | 33.8 | Very low | 34.8 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -85.1 | -13.6 | 176 | -67.8 | -31.5 | 0 | 0 | 0 | 114.4 | N443 E447 E449 | N443-D445 PolarHBondContact O-N 2.84Å; D445-E447 PolarHBondContact O-N 2.79Å; D445-E449 PolarHBondContact O-N 2.85Å |
| 446 | A | 36.9 | Very low | 36 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 60% | 0.595 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -73.4 | -25.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y450 | A446-Y450 WeakPolarHBondContact O-CB 3.24Å; A446-Y450 PolarHBondContact O-N 3.1Å; A446-Y450 VanDerWaalsContact O-N 3.14Å |
| 447 | E | 34.9 | Very low | 37.6 | Very low | 171 Ų | 171 | 127.4 Ų | 127.4 | 80% | 0.799 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -78.5 | -31.5 | -178.4 | -74.7 | -174.2 | 160 | 0 | 0 | 112.6 | D445 | D445-E447 PolarHBondContact O-N 2.79Å |
| 448 | E | 37.1 | Very low | 39.3 | Very low | 136 Ų | 136 | 122 Ų | 122 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.5 | -34.1 | 172.4 | -76.7 | -163.6 | 174.8 | 0 | 0 | 112.6 | R452 | E448-R452 PolarHBondContact O-N 3.02Å; E448-R452 IonicContact OE2-NH2 3.13Å |
| 449 | E | 34.2 | Very low | 41 | Very low | 107 Ų | 107 | 113.1 Ų | 113.1 | 50% | 0.5 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -71.4 | -34.3 | 177.7 | -161.3 | 169.8 | -159.3 | 0 | 0 | 112 | D445 S451 R452 T453 | D445-E449 PolarHBondContact O-N 2.85Å; E449-S451 PolarHBondContact O-N 3.17Å; E449-R452 PolarHBondContact O-N 2.87Å; E449-T453 WeakPolarHBondContact O-CB 3.4Å; E449-T453 PolarHBondContact O-N 3.44Å; E449-T453 VanDerWaalsContact O-N 3.13Å; E449-T453 PolarHBondContact O-OG1 3.35Å |
| 450 | Y | 37.1 | Very low | 42.5 | Very low | 196 Ų | 196 | 111.2 Ų | 111.2 | 77% | 0.769 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.2 | -37.7 | 176.7 | -159.3 | -97.2 | 0 | 0 | 0 | 112.6 | A446 T453 A454 | A446-Y450 WeakPolarHBondContact O-CB 3.24Å; A446-Y450 PolarHBondContact O-N 3.1Å; A446-Y450 VanDerWaalsContact O-N 3.14Å; Y450-T453 PolarHBondContact O-N 3.3Å; Y450-A454 PolarHBondContact O-N 3.31Å |
| 451 | S | 36.4 | Very low | 44.3 | Very low | 89 Ų | 89 | 113.3 Ų | 113.3 | 62% | 0.622 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.2 | -37.1 | -179.8 | -159.1 | 0 | 0 | 0 | 0 | 112.8 | E449 | E449-S451 PolarHBondContact O-N 3.17Å |
| 452 | R | 44.3 | Very low | 46.2 | Very low | 169 Ų | 169 | 107.8 Ų | 107.8 | 64% | 0.638 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.3 | -33.3 | 173.1 | -68.3 | -177.4 | -152.9 | 164.3 | 10.8 | 112.6 | E448 E449 A454 Q455 A456 | E448-R452 PolarHBondContact O-N 3.02Å; E448-R452 IonicContact OE2-NH2 3.13Å; E449-R452 PolarHBondContact O-N 2.87Å; R452-A454 VanDerWaalsContact C-N 3.25Å; R452-A454 PolarHBondContact O-N 3.11Å; R452-Q455 PolarHBondContact O-N 3.41Å; R452-A456 PolarHBondContact O-N 3.34Å |
| 453 | T | 40.8 | Very low | 47.2 | Very low | 65 Ų | 65 | 99.1 Ų | 99.1 | 40% | 0.399 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -25.6 | -178.3 | -52 | 0 | 0 | 0 | 0 | 112.3 | E449 Y450 Q455 A456 R461 | E449-T453 WeakPolarHBondContact O-CB 3.4Å; E449-T453 PolarHBondContact O-N 3.44Å; E449-T453 VanDerWaalsContact O-N 3.13Å; E449-T453 PolarHBondContact O-OG1 3.35Å; Y450-T453 PolarHBondContact O-N 3.3Å; T453-Q455 VanDerWaalsContact C-N 3.3Å; T453-Q455 PolarHBondContact O-N 3.19Å; T453-A456 PolarHBondContact O-N 3.24Å; T453-R461 VanDerWaalsContact O-CZ 3.32Å; T453-R461 PolarHBondContact O-NE 3.36Å; T453-R461 PolarHBondContact O-NH2 2.82Å |
| 454 | A | 38.8 | Very low | 48.5 | Very low | 70 Ų | 70 | 94.4 Ų | 94.4 | 58% | 0.579 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -28.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y450 R452 R461 | Y450-A454 PolarHBondContact O-N 3.31Å; R452-A454 VanDerWaalsContact C-N 3.25Å; R452-A454 PolarHBondContact O-N 3.11Å; A454-R461 PolarHBondContact O-NH2 2.88Å |
| 455 | Q | 44.2 | Very low | 50.3 | Low | 161 Ų | 161 | 90.8 Ų | 90.8 | 75% | 0.752 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -5.3 | 179.8 | -67.8 | -177.3 | -22.9 | 0 | 0 | 114.4 | R452 T453 | R452-Q455 PolarHBondContact O-N 3.41Å; T453-Q455 VanDerWaalsContact C-N 3.3Å; T453-Q455 PolarHBondContact O-N 3.19Å |
| 456 | A | 52.6 | Low | 51.6 | Low | 16 Ų | 16 | 87.4 Ų | 87.4 | 13% | 0.132 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -68.6 | 138.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R452 T453 Q460 R461 | R452-A456 PolarHBondContact O-N 3.34Å; T453-A456 PolarHBondContact O-N 3.24Å; A456-Q460 HydrophobicContact CB-CB 4.27Å; A456-Q460 HydrophobicContact CB-CG 4.12Å; A456-R461 HydrophobicContact CB-CG 4.12Å |
| 457 | S | 62.7 | Low | 52.8 | Low | 50 Ų | 50 | 84.3 Ų | 84.3 | 35% | 0.35 | 42% | 0.421 | S | S | . | . | trans | -57.9 | 149.5 | 173 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | V459 Q460 R461 | S457-V459 PolarHBondContact O-N 3.21Å; S457-V459 VanDerWaalsContact O-N 3.14Å; S457-Q460 VanDerWaalsContact O-CB 3.31Å; S457-Q460 WeakPolarHBondContact O-CB 3.3Å; S457-Q460 PolarHBondContact O-N 3.21Å; S457-R461 PolarHBondContact O-N 3.1Å; S457-R461 VanDerWaalsContact O-N 3.09Å | ||
| 458 | W | 65.9 | Low | 53.9 | Low | 123 Ų | 123 | 80.6 Ų | 80.6 | 47% | 0.466 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -51.3 | -39.2 | 176.5 | 172 | 87.3 | 0 | 0 | 0 | 112.2 | P265 I268 Q460 R461 M462 | P265-W458 HydrophobicContact CB-CH2 3.46Å; P265-W458 VanDerWaalsContact CB-CH2 3.46Å; P265-W458 HydrophobicContact CB-CZ2 3.86Å; P265-W458 HydrophobicContact CB-CZ3 4.06Å; P265-W458 HydrophobicContact CG-CD2 4.45Å; P265-W458 HydrophobicContact CG-CE3 4.15Å; P265-W458 HydrophobicContact CG-CH2 3.47Å; P265-W458 VanDerWaalsContact CG-CH2 3.47Å; P265-W458 HydrophobicContact CG-CZ2 3.76Å; P265-W458 HydrophobicContact CG-CZ3 3.66Å; I268-W458 HydrophobicContact CG2-CH2 3.87Å; I268-W458 HydrophobicContact CG2-CZ3 3.97Å; W458-Q460 PolarHBondContact O-N 3.14Å; W458-R461 PolarHBondContact O-N 2.97Å; W458-M462 HydrophobicContact CH2-CE 3.81Å; W458-M462 HydrophobicContact CH2-SD 3.36Å; W458-M462 WeakPolarHBondContact CH2-SD 3.29Å; W458-M462 HydrophobicContact CZ2-SD 3.79Å; W458-M462 HydrophobicContact CZ3-CE 3.91Å; W458-M462 HydrophobicContact CZ3-SD 4.08Å; W458-M462 PolarHBondContact O-N 3.1Å |
| 459 | V | 61.3 | Low | 55 | Low | 21 Ų | 21 | 77 Ų | 77 | 13% | 0.127 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.3 | -49.6 | 176.6 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | I268 S457 R461 M462 F463 F473 | I268-V459 HydrophobicContact CD1-CB 4.33Å; I268-V459 HydrophobicContact CD1-CG1 3.6Å; I268-V459 HydrophobicContact CD1-CG2 3.91Å; S457-V459 PolarHBondContact O-N 3.21Å; S457-V459 VanDerWaalsContact O-N 3.14Å; V459-R461 PolarHBondContact O-N 2.93Å; V459-M462 PolarHBondContact O-N 2.77Å; V459-F463 HydrophobicContact CG1-CD2 3.65Å; V459-F463 HydrophobicContact CG1-CE2 3.7Å; V459-F463 VanDerWaalsContact O-CD2 3.29Å; V459-F463 WeakPolarHBondContact O-CD2 3.47Å; V459-F463 PolarHBondContact O-N 3.06Å; V459-F473 HydrophobicContact CG1-CE1 4.24Å |
| 460 | Q | 63 | Low | 56.1 | Low | 41 Ų | 41 | 73.4 Ų | 73.4 | 19% | 0.192 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.7 | -44 | -179.4 | -171.9 | 179.6 | -1.9 | 0 | 0 | 111.4 | A456 S457 W458 M462 F463 T464 F473 N474 | A456-Q460 HydrophobicContact CB-CB 4.27Å; A456-Q460 HydrophobicContact CB-CG 4.12Å; S457-Q460 VanDerWaalsContact O-CB 3.31Å; S457-Q460 WeakPolarHBondContact O-CB 3.3Å; S457-Q460 PolarHBondContact O-N 3.21Å; W458-Q460 PolarHBondContact O-N 3.14Å; Q460-M462 VanDerWaalsContact C-N 3.34Å; Q460-M462 PolarHBondContact O-N 2.7Å; Q460-F463 PolarHBondContact O-N 3.29Å; Q460-T464 WeakPolarHBondContact O-CB 3.38Å; Q460-T464 PolarHBondContact O-N 3.41Å; Q460-T464 PolarHBondContact O-OG1 2.77Å; Q460-F473 HydrophobicContact CG-CB 3.92Å; Q460-F473 HydrophobicContact CG-CG 4.3Å; Q460-N474 PolarHBondContact NE2-OD1 2.73Å |
| 461 | R | 66.9 | Low | 57.1 | Low | 116 Ų | 116 | 65.6 Ų | 65.6 | 44% | 0.438 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 175.8 | -67.9 | -176.5 | 179.8 | 159.4 | 5.4 | 112.4 | T453 A454 A456 S457 W458 V459 S465 | T453-R461 VanDerWaalsContact O-CZ 3.32Å; T453-R461 PolarHBondContact O-NE 3.36Å; T453-R461 PolarHBondContact O-NH2 2.82Å; A454-R461 PolarHBondContact O-NH2 2.88Å; A456-R461 HydrophobicContact CB-CG 4.12Å; S457-R461 PolarHBondContact O-N 3.1Å; S457-R461 VanDerWaalsContact O-N 3.09Å; W458-R461 PolarHBondContact O-N 2.97Å; V459-R461 PolarHBondContact O-N 2.93Å; R461-S465 WeakPolarHBondContact O-CB 3.17Å; R461-S465 PolarHBondContact O-N 3.39Å |
| 462 | M | 66.4 | Low | 58.4 | Low | 32 Ų | 32 | 61.9 Ų | 61.9 | 16% | 0.158 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.6 | -44 | 179 | -178.6 | -170.1 | 58.2 | 0 | 0 | 111.6 | I268 I272 W458 V459 Q460 S465 L466 | I268-M462 HydrophobicContact CB-CE 4.19Å; I268-M462 HydrophobicContact CD1-CE 3.76Å; I268-M462 HydrophobicContact CG1-CE 3.81Å; I268-M462 HydrophobicContact CG2-CE 3.39Å; I268-M462 HydrophobicContact CG2-SD 3.92Å; I272-M462 HydrophobicContact CD1-CE 3.28Å; I272-M462 HydrophobicContact CD1-CG 4.04Å; I272-M462 HydrophobicContact CD1-SD 3.49Å; I272-M462 WeakPolarHBondContact CD1-SD 3.21Å; I272-M462 HydrophobicContact CG1-CE 4.34Å; W458-M462 HydrophobicContact CH2-CE 3.81Å; W458-M462 HydrophobicContact CH2-SD 3.36Å; W458-M462 WeakPolarHBondContact CH2-SD 3.29Å; W458-M462 HydrophobicContact CZ2-SD 3.79Å; W458-M462 HydrophobicContact CZ3-CE 3.91Å; W458-M462 HydrophobicContact CZ3-SD 4.08Å; W458-M462 PolarHBondContact O-N 3.1Å; V459-M462 PolarHBondContact O-N 2.77Å; Q460-M462 VanDerWaalsContact C-N 3.34Å; Q460-M462 PolarHBondContact O-N 2.7Å; M462-S465 PolarHBondContact O-N 2.9Å; M462-L466 HydrophobicContact CG-CD1 3.89Å; M462-L466 WeakPolarHBondContact O-CG 3.35Å; M462-L466 PolarHBondContact O-N 3.38Å |
| 463 | F | 65.8 | Low | 59.1 | Low | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 176.6 | -87.2 | -84.3 | 0 | 0 | 0 | 112.8 | I268 I272 L275 V290 V459 Q460 S465 L466 F467 F473 | I268-F463 HydrophobicContact CD1-CE2 3.75Å; I268-F463 HydrophobicContact CD1-CZ 4.5Å; I268-F463 HydrophobicContact CG1-CE2 3.97Å; I268-F463 HydrophobicContact CG1-CZ 4.28Å; I272-F463 HydrophobicContact CG1-CE1 3.9Å; I272-F463 HydrophobicContact CG1-CE2 4.43Å; I272-F463 HydrophobicContact CG1-CZ 3.86Å; L275-F463 HydrophobicContact CD1-CE1 3.68Å; L275-F463 HydrophobicContact CD1-CZ 4.26Å; V290-F463 HydrophobicContact CG1-CZ 4.32Å; V290-F463 HydrophobicContact CG2-CE1 3.78Å; V290-F463 HydrophobicContact CG2-CZ 3.67Å; V459-F463 HydrophobicContact CG1-CD2 3.65Å; V459-F463 HydrophobicContact CG1-CE2 3.7Å; V459-F463 VanDerWaalsContact O-CD2 3.29Å; V459-F463 WeakPolarHBondContact O-CD2 3.47Å; V459-F463 PolarHBondContact O-N 3.06Å; Q460-F463 PolarHBondContact O-N 3.29Å; F463-S465 VanDerWaalsContact C-N 3.31Å; F463-S465 PolarHBondContact O-N 2.84Å; F463-L466 PolarHBondContact O-N 3.33Å; F463-F467 AromaticContact CD1-CD2 3.63Å; F463-F467 HydrophobicContact CD1-CD2 3.63Å; F463-F467 AromaticContact CD1-CE2 3.49Å; F463-F467 HydrophobicContact CD1-CE2 3.49Å; F463-F467 VanDerWaalsContact CD1-CE2 3.49Å; F463-F467 HydrophobicContact CE1-CD2 4.37Å; F463-F467 AromaticContact CE1-CE2 3.79Å; F463-F467 HydrophobicContact CE1-CE2 3.79Å; F463-F467 WeakPolarHBondContact O-CD2 3.38Å; F463-F467 PolarHBondContact O-N 3.02Å; F463-F473 HydrophobicContact CB-CD2 3.81Å; F463-F473 HydrophobicContact CB-CE2 3.18Å; F463-F473 HydrophobicContact CB-CZ 3.68Å; F463-F473 AromaticContact CD1-CE2 3.56Å; F463-F473 HydrophobicContact CD1-CE2 3.56Å; F463-F473 AromaticContact CD1-CZ 3.76Å; F463-F473 HydrophobicContact CD1-CZ 3.76Å; F463-F473 HydrophobicContact CD2-CE1 4.09Å; F463-F473 AromaticContact CD2-CE2 3.72Å; F463-F473 HydrophobicContact CD2-CE2 3.72Å; F463-F473 AromaticContact CD2-CZ 3.24Å; F463-F473 HydrophobicContact CD2-CZ 3.24Å; F463-F473 HydrophobicContact CE1-CE2 4.33Å; F463-F473 HydrophobicContact CE1-CZ 4.19Å; F463-F473 HydrophobicContact CE2-CE2 4.46Å; F463-F473 AromaticContact CE2-CZ 3.71Å; F463-F473 HydrophobicContact CE2-CZ 3.71Å; F463-F473 HydrophobicContact CG-CD2 4.29Å; F463-F473 HydrophobicContact CG-CE1 4.41Å; F463-F473 AromaticContact CG-CE2 3.21Å; F463-F473 HydrophobicContact CG-CE2 3.21Å; F463-F473 AromaticContact CG-CZ 3.28Å; F463-F473 HydrophobicContact CG-CZ 3.28Å; F463-F473 HydrophobicContact CZ-CZ 4.18Å |
| 464 | T | 66.1 | Low | 60.1 | Low | 42 Ų | 42 | 55 Ų | 55 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 175.4 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | Q460 L466 S468 | Q460-T464 WeakPolarHBondContact O-CB 3.38Å; Q460-T464 PolarHBondContact O-N 3.41Å; Q460-T464 PolarHBondContact O-OG1 2.77Å; T464-L466 PolarHBondContact O-N 2.85Å; T464-S468 VanDerWaalsContact O-CA 3.24Å; T464-S468 WeakPolarHBondContact O-CA 3.38Å; T464-S468 PolarHBondContact O-N 3.11Å |
| 465 | S | 66.4 | Low | 61.5 | Low | 94 Ų | 94 | 54.2 Ų | 54.2 | 66% | 0.657 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.1 | -42.1 | 176.3 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | R461 M462 F463 | R461-S465 WeakPolarHBondContact O-CB 3.17Å; R461-S465 PolarHBondContact O-N 3.39Å; M462-S465 PolarHBondContact O-N 2.9Å; F463-S465 VanDerWaalsContact C-N 3.31Å; F463-S465 PolarHBondContact O-N 2.84Å |
| 466 | L | 62.2 | Low | 62.6 | Low | 62 Ų | 62 | 49.7 Ų | 49.7 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -78.8 | -51.9 | -177.4 | -70.3 | 164.6 | 0 | 0 | 0 | 111.6 | I272 W276 M462 F463 T464 S468 | I272-L466 HydrophobicContact CB-CD1 4.4Å; I272-L466 HydrophobicContact CD1-CD1 3.46Å; I272-L466 VanDerWaalsContact CD1-CD1 3.46Å; I272-L466 HydrophobicContact CG1-CD1 4.23Å; I272-L466 HydrophobicContact CG2-CB 4.41Å; I272-L466 HydrophobicContact CG2-CD1 3.54Å; I272-L466 HydrophobicContact CG2-CG 4.44Å; W276-L466 VanDerWaalsContact CH2-O 3.3Å; W276-L466 WeakPolarHBondContact CH2-O 3.41Å; W276-L466 HydrophobicContact CZ2-CB 4.22Å; W276-L466 WeakPolarHBondContact CZ2-O 3.29Å; M462-L466 HydrophobicContact CG-CD1 3.89Å; M462-L466 WeakPolarHBondContact O-CG 3.35Å; M462-L466 PolarHBondContact O-N 3.38Å; F463-L466 PolarHBondContact O-N 3.33Å; T464-L466 PolarHBondContact O-N 2.85Å; L466-S468 VanDerWaalsContact C-N 3.32Å; L466-S468 PolarHBondContact O-N 2.94Å |
| 467 | F | 61.8 | Low | 63.5 | Low | 7 Ų | 7 | 50.8 Ų | 50.8 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -86 | -4.6 | -173.2 | -66.6 | -81.2 | 0 | 0 | 0 | 114.1 | I272 L275 W276 K279 F463 D469 L472 | I272-F467 HydrophobicContact CG2-CE2 3.88Å; I272-F467 HydrophobicContact CG2-CZ 4.01Å; L275-F467 HydrophobicContact CB-CE1 4.19Å; L275-F467 HydrophobicContact CB-CZ 3.67Å; L275-F467 HydrophobicContact CD1-CZ 4.41Å; W276-F467 AromaticContact CD1-CZ 3.87Å; W276-F467 HydrophobicContact CD2-CE1 4Å; W276-F467 HydrophobicContact CD2-CZ 4.41Å; W276-F467 HydrophobicContact CG-CE1 4.13Å; W276-F467 HydrophobicContact CG-CZ 4.18Å; W276-F467 AromaticContact NE1-CZ 3.88Å; K279-F467 HydrophobicContact CD-CD1 3.81Å; K279-F467 HydrophobicContact CD-CE1 4.21Å; F463-F467 AromaticContact CD1-CD2 3.63Å; F463-F467 HydrophobicContact CD1-CD2 3.63Å; F463-F467 AromaticContact CD1-CE2 3.49Å; F463-F467 HydrophobicContact CD1-CE2 3.49Å; F463-F467 VanDerWaalsContact CD1-CE2 3.49Å; F463-F467 HydrophobicContact CE1-CD2 4.37Å; F463-F467 AromaticContact CE1-CE2 3.79Å; F463-F467 HydrophobicContact CE1-CE2 3.79Å; F463-F467 WeakPolarHBondContact O-CD2 3.38Å; F463-F467 PolarHBondContact O-N 3.02Å; F467-D469 WeakPolarHBondContact O-CB 3.48Å; F467-D469 PolarHBondContact O-N 2.8Å; F467-L472 HydrophobicContact CB-CD1 3.68Å; F467-L472 HydrophobicContact CD2-CD1 4.49Å; F467-L472 HydrophobicContact CG-CD1 3.98Å |
| 468 | S | 57.3 | Low | 63.9 | Low | 94 Ų | 94 | 48.9 Ų | 48.9 | 66% | 0.657 | 26% | 0.263 | S | S | * | . | S | Bend | trans | 49.3 | 26.4 | -174.7 | -55 | 0 | 0 | 0 | 0 | 113.2 | T464 L466 | T464-S468 VanDerWaalsContact O-CA 3.24Å; T464-S468 WeakPolarHBondContact O-CA 3.38Å; T464-S468 PolarHBondContact O-N 3.11Å; L466-S468 VanDerWaalsContact C-N 3.32Å; L466-S468 PolarHBondContact O-N 2.94Å |
| 469 | D | 60.7 | Low | 64.6 | Low | 60 Ų | 60 | 43.9 Ų | 43.9 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | trans | -138.2 | 92.6 | -171.6 | -173.2 | -6.5 | 0 | 0 | 0 | 107.7 | F467 A471 L472 | F467-D469 WeakPolarHBondContact O-CB 3.48Å; F467-D469 PolarHBondContact O-N 2.8Å; D469-A471 PolarHBondContact O-N 3.47Å; D469-A471 WeakPolarHBondContact OD1-CA 3.17Å; D469-A471 WeakPolarHBondContact OD1-CB 3.38Å; D469-A471 PolarHBondContact OD1-N 3.36Å; D469-L472 HydrophobicContact CB-CD1 4.26Å; D469-L472 HydrophobicContact CB-CG 4.25Å | ||
| 470 | S | 56.7 | Low | 65.6 | Low | 32 Ų | 32 | 42.9 Ų | 42.9 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -16.7 | 177.2 | 72.8 | 0 | 0 | 0 | 0 | 111.2 | L472 F473 N474 | S470-L472 VanDerWaalsContact C-N 3.34Å; S470-L472 PolarHBondContact O-N 2.89Å; S470-F473 PolarHBondContact O-N 2.95Å; S470-N474 WeakPolarHBondContact CB-ND2 3.45Å; S470-N474 WeakPolarHBondContact O-CB 3.25Å; S470-N474 PolarHBondContact O-N 3.27Å; S470-N474 PolarHBondContact O-ND2 3.49Å; S470-N474 VanDerWaalsContact O-ND2 3.13Å |
| 471 | A | 59.9 | Low | 66.8 | Low | 32 Ų | 32 | 41 Ų | 41 | 26% | 0.264 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.7 | -30.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D469 F473 N474 T475 | D469-A471 PolarHBondContact O-N 3.47Å; D469-A471 WeakPolarHBondContact OD1-CA 3.17Å; D469-A471 WeakPolarHBondContact OD1-CB 3.38Å; D469-A471 PolarHBondContact OD1-N 3.36Å; A471-F473 PolarHBondContact O-N 3.03Å; A471-N474 PolarHBondContact O-N 3.15Å; A471-T475 HydrophobicContact CB-CG2 4.01Å; A471-T475 PolarHBondContact O-N 2.84Å; A471-T475 PolarHBondContact O-OG1 3.16Å |
| 472 | L | 61.8 | Low | 67.9 | Low | 11 Ų | 11 | 36.7 Ų | 36.7 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -50.4 | -35.1 | 176.7 | -72.6 | 175.2 | 0 | 0 | 0 | 113.5 | V285 F467 D469 S470 G478 R479 | V285-L472 WeakPolarHBondContact O-CD2 3.34Å; F467-L472 HydrophobicContact CB-CD1 3.68Å; F467-L472 HydrophobicContact CD2-CD1 4.49Å; F467-L472 HydrophobicContact CG-CD1 3.98Å; D469-L472 HydrophobicContact CB-CD1 4.26Å; D469-L472 HydrophobicContact CB-CG 4.25Å; S470-L472 VanDerWaalsContact C-N 3.34Å; S470-L472 PolarHBondContact O-N 2.89Å; L472-G478 CarbonylContact O-C 3.52Å; L472-G478 VanDerWaalsContact O-C 3.32Å; L472-G478 VanDerWaalsContact O-O 3.1Å; L472-R479 WeakPolarHBondContact O-CG 3.43Å |
| 473 | F | 60.4 | Low | 69.1 | Low | 15 Ų | 15 | 35.4 Ų | 35.4 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -108.3 | -30.5 | 179.8 | -75.1 | -101.4 | 0 | 0 | 0 | 112.8 | F287 V459 Q460 F463 S470 A471 | F287-F473 AromaticContact CD2-CD1 3.75Å; F287-F473 HydrophobicContact CD2-CD1 3.75Å; F287-F473 AromaticContact CD2-CE1 3.27Å; F287-F473 HydrophobicContact CD2-CE1 3.27Å; F287-F473 HydrophobicContact CD2-CE2 4.08Å; F287-F473 HydrophobicContact CD2-CG 4.38Å; F287-F473 AromaticContact CD2-CZ 3.42Å; F287-F473 HydrophobicContact CD2-CZ 3.42Å; F287-F473 VanDerWaalsContact CD2-CZ 3.42Å; F287-F473 AromaticContact CE2-CD1 3.84Å; F287-F473 HydrophobicContact CE2-CD1 3.84Å; F287-F473 AromaticContact CE2-CE1 3.11Å; F287-F473 HydrophobicContact CE2-CE1 3.11Å; F287-F473 AromaticContact CE2-CZ 3.54Å; F287-F473 HydrophobicContact CE2-CZ 3.54Å; F287-F473 HydrophobicContact CG-CE1 4.5Å; F287-F473 HydrophobicContact CZ-CE1 4.24Å; V459-F473 HydrophobicContact CG1-CE1 4.24Å; Q460-F473 HydrophobicContact CG-CB 3.92Å; Q460-F473 HydrophobicContact CG-CG 4.3Å; F463-F473 HydrophobicContact CB-CD2 3.81Å; F463-F473 HydrophobicContact CB-CE2 3.18Å; F463-F473 HydrophobicContact CB-CZ 3.68Å; F463-F473 AromaticContact CD1-CE2 3.56Å; F463-F473 HydrophobicContact CD1-CE2 3.56Å; F463-F473 AromaticContact CD1-CZ 3.76Å; F463-F473 HydrophobicContact CD1-CZ 3.76Å; F463-F473 HydrophobicContact CD2-CE1 4.09Å; F463-F473 AromaticContact CD2-CE2 3.72Å; F463-F473 HydrophobicContact CD2-CE2 3.72Å; F463-F473 AromaticContact CD2-CZ 3.24Å; F463-F473 HydrophobicContact CD2-CZ 3.24Å; F463-F473 HydrophobicContact CE1-CE2 4.33Å; F463-F473 HydrophobicContact CE1-CZ 4.19Å; F463-F473 HydrophobicContact CE2-CE2 4.46Å; F463-F473 AromaticContact CE2-CZ 3.71Å; F463-F473 HydrophobicContact CE2-CZ 3.71Å; F463-F473 HydrophobicContact CG-CD2 4.29Å; F463-F473 HydrophobicContact CG-CE1 4.41Å; F463-F473 AromaticContact CG-CE2 3.21Å; F463-F473 HydrophobicContact CG-CE2 3.21Å; F463-F473 AromaticContact CG-CZ 3.28Å; F463-F473 HydrophobicContact CG-CZ 3.28Å; F463-F473 HydrophobicContact CZ-CZ 4.18Å; S470-F473 PolarHBondContact O-N 2.95Å; A471-F473 PolarHBondContact O-N 3.03Å |
| 474 | N | 61.4 | Low | 70.5 | Confident | 74 Ų | 74 | 35.9 Ų | 35.9 | 40% | 0.396 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -85.3 | -27.5 | -170.3 | -65.2 | -14.2 | 0 | 0 | 0 | 113.1 | Q460 S470 A471 | Q460-N474 PolarHBondContact NE2-OD1 2.73Å; S470-N474 WeakPolarHBondContact CB-ND2 3.45Å; S470-N474 WeakPolarHBondContact O-CB 3.25Å; S470-N474 PolarHBondContact O-N 3.27Å; S470-N474 PolarHBondContact O-ND2 3.49Å; S470-N474 VanDerWaalsContact O-ND2 3.13Å; A471-N474 PolarHBondContact O-N 3.15Å |
| 475 | T | 67.4 | Low | 71.8 | Confident | 53 Ų | 53 | 34 Ų | 34 | 33% | 0.325 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -103.6 | 154.3 | -179.6 | 73.6 | 0 | 0 | 0 | 0 | 110.7 | A471 E477 G478 R479 | A471-T475 HydrophobicContact CB-CG2 4.01Å; A471-T475 PolarHBondContact O-N 2.84Å; A471-T475 PolarHBondContact O-OG1 3.16Å; T475-E477 VanDerWaalsContact C-N 3.3Å; T475-G478 PolarHBondContact OG1-N 3.26Å; T475-R479 VanDerWaalsContact O-CG 3.31Å; T475-R479 WeakPolarHBondContact O-CG 3.49Å; T475-R479 PolarHBondContact O-NE 3.06Å |
| 476 | R | 68.6 | Low | 73.1 | Confident | 67 Ų | 67 | 29.7 Ų | 29.7 | 25% | 0.253 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -71.1 | -31 | 171.4 | -82.6 | 176.3 | 172.6 | 168.2 | -3.2 | 110.5 | I395 H423 R479 A480 | I395-R476 HydrophobicContact CG2-CB 4.34Å; I395-R476 HydrophobicContact CG2-CG 3.98Å; H423-R476 PolarHBondContact ND1-NH1 2.83Å; H423-R476 WeakPolarHBondContact O-CB 3.48Å; R476-R479 VanDerWaalsContact CG-NH2 3.29Å; R476-R479 PolarHBondContact O-N 3.24Å; R476-A480 PolarHBondContact O-N 3.11Å |
| 477 | E | 70.8 | Confident | 74.5 | Confident | 38 Ų | 38 | 26.7 Ų | 26.7 | 18% | 0.178 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -49.6 | 172.1 | -169.8 | -158.3 | 162.9 | 0 | 0 | 112.6 | I424 G426 T475 R479 A480 K482 H539 | I424-E477 VanDerWaalsContact O-CA 3.24Å; I424-E477 WeakPolarHBondContact O-CA 3.48Å; I424-E477 WeakPolarHBondContact O-CG 3.35Å; G426-E477 WeakPolarHBondContact CA-OE2 3.4Å; G426-E477 PolarHBondContact N-OE2 2.96Å; T475-E477 VanDerWaalsContact C-N 3.3Å; E477-R479 PolarHBondContact O-N 2.74Å; E477-A480 PolarHBondContact O-N 2.79Å; E477-A480 VanDerWaalsContact O-N 3.07Å; E477-K482 IonicContact OE1-NZ 2.64Å; E477-K482 PolarHBondContact OE1-NZ 3.39Å; E477-K482 VanDerWaalsContact OE1-NZ 3.15Å; E477-H539 IonicContact OE1-CE1 2.71Å; E477-H539 PolarHBondContact OE1-CE1 3.25Å; E477-H539 IonicContact OE1-NE2 2.74Å |
| 478 | G | 70.8 | Confident | 76 | Confident | 11 Ų | 11 | 27.4 Ų | 27.4 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T286 F287 L472 T475 | T286-G478 WeakPolarHBondContact CB-O 3.48Å; F287-G478 PolarHBondContact N-O 3.33Å; L472-G478 CarbonylContact O-C 3.52Å; L472-G478 VanDerWaalsContact O-C 3.32Å; L472-G478 VanDerWaalsContact O-O 3.1Å; T475-G478 PolarHBondContact OG1-N 3.26Å |
| 479 | R | 81.2 | Confident | 77.5 | Confident | 18 Ų | 18 | 23.9 Ų | 23.9 | 7% | 0.068 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -23.3 | 175.8 | -65.9 | -178.1 | -71.1 | 157.1 | -2.3 | 114.3 | F287 T288 S394 I395 L472 T475 R476 E477 | F287-R479 HydrophobicContact CB-CB 4.06Å; F287-R479 HydrophobicContact CB-CG 3.69Å; F287-R479 HydrophobicContact CD1-CG 4.3Å; F287-R479 HydrophobicContact CG-CG 4.16Å; T288-R479 PolarHBondContact OG1-O 3.28Å; S394-R479 WeakPolarHBondContact O-CD 3.42Å; S394-R479 PolarHBondContact OG-O 3.26Å; I395-R479 PolarHBondContact O-NH1 2.66Å; I395-R479 PolarHBondContact O-NH2 3.14Å; L472-R479 WeakPolarHBondContact O-CG 3.43Å; T475-R479 VanDerWaalsContact O-CG 3.31Å; T475-R479 WeakPolarHBondContact O-CG 3.49Å; T475-R479 PolarHBondContact O-NE 3.06Å; R476-R479 VanDerWaalsContact CG-NH2 3.29Å; R476-R479 PolarHBondContact O-N 3.24Å; E477-R479 PolarHBondContact O-N 2.74Å |
| 480 | A | 82.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -66.6 | 152.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T286 I424 R476 E477 V541 | T286-A480 WeakPolarHBondContact CB-O 3.33Å; T286-A480 VanDerWaalsContact CG2-O 3.24Å; T286-A480 WeakPolarHBondContact CG2-O 3.26Å; T286-A480 PolarHBondContact OG1-O 3.44Å; I424-A480 HydrophobicContact CG2-CB 3.71Å; R476-A480 PolarHBondContact O-N 3.11Å; E477-A480 PolarHBondContact O-N 2.79Å; E477-A480 VanDerWaalsContact O-N 3.07Å; A480-V541 HydrophobicContact CB-CG1 3.9Å |
| 481 | G | 86.8 | Confident | 80 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 138.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T288 H539 V540 | T288-G481 PolarHBondContact OG1-N 2.99Å; G481-H539 CarbonylContact O-C 3.55Å; G481-H539 WeakPolarHBondContact O-CA 3.43Å; G481-V540 VanDerWaalsContact CA-O 3.23Å; G481-V540 WeakPolarHBondContact CA-O 3.48Å; G481-V540 PolarHBondContact N-O 3.1Å; G481-V540 VanDerWaalsContact N-O 3.16Å; G481-V540 PolarHBondContact O-N 3.39Å |
| 482 | K | 89.8 | Confident | 80.7 | Confident | 27 Ų | 27 | 22.9 Ų | 22.9 | 12% | 0.117 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.2 | 176.3 | -158.8 | 167.5 | -165.9 | 168.8 | 0 | 109 | P284 T286 E477 K537 I538 | P284-K482 HydrophobicContact CB-CB 4.28Å; P284-K482 HydrophobicContact CB-CG 4.43Å; P284-K482 HydrophobicContact CG-CB 4.47Å; P284-K482 WeakPolarHBondContact CG-O 3.47Å; T286-K482 HydrophobicContact CG2-CB 3.62Å; E477-K482 IonicContact OE1-NZ 2.64Å; E477-K482 PolarHBondContact OE1-NZ 3.39Å; E477-K482 VanDerWaalsContact OE1-NZ 3.15Å; K482-K537 HydrophobicContact CD-CB 4.38Å; K482-K537 HydrophobicContact CD-CD 4.14Å; K482-K537 HydrophobicContact CG-CB 4.04Å; K482-K537 HydrophobicContact CG-CD 4.44Å; K482-I538 WeakPolarHBondContact CA-O 3.38Å |
| 483 | V | 93.4 | Very high | 80.9 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.024 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 160.1 | 175.8 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | F364 F384 K537 I538 V540 | F364-V483 HydrophobicContact CE1-CG1 3.98Å; F364-V483 HydrophobicContact CE2-CG2 4.27Å; F364-V483 HydrophobicContact CZ-CG1 3.99Å; F364-V483 HydrophobicContact CZ-CG2 4.05Å; F384-V483 HydrophobicContact CE1-CG1 4.31Å; F384-V483 HydrophobicContact CZ-CG1 3.96Å; V483-K537 CarbonylContact O-C 3.53Å; V483-K537 VanDerWaalsContact O-CA 3.28Å; V483-K537 WeakPolarHBondContact O-CA 3.38Å; V483-I538 HydrophobicContact CG2-CD1 3.91Å; V483-I538 HydrophobicContact CG2-CG1 3.51Å; V483-I538 PolarHBondContact N-O 2.86Å; V483-I538 PolarHBondContact O-N 3.38Å; V483-V540 HydrophobicContact CG1-CG2 4.16Å; V483-V540 HydrophobicContact CG2-CG1 4.14Å; V483-V540 HydrophobicContact CG2-CG2 4.28Å |
| 484 | H | 94.2 | Very high | 80.7 | Confident | 13 Ų | 13 | 29.5 Ų | 29.5 | 6% | 0.06 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 138.9 | 172.4 | -71.8 | -56.9 | 0 | 0 | 0 | 110.4 | G282 G365 S366 K367 Y377 F486 | G282-H484 PolarHBondContact O-CE1 3.3Å; G282-H484 PolarHBondContact O-NE2 3.15Å; G365-H484 PolarHBondContact O-CD2 3.34Å; S366-H484 WeakPolarHBondContact O-CB 3.19Å; K367-H484 VanDerWaalsContact CE-CE1 3.45Å; K367-H484 WeakPolarHBondContact CE-CE1 3.24Å; K367-H484 HydrophobicContact CG-CB 4.3Å; Y377-H484 AromaticContact CE2-CD2 3.7Å; Y377-H484 AromaticContact CE2-NE2 3.95Å; H484-F486 PolarHBondContact O-N 3.36Å; H484-F486 VanDerWaalsContact O-N 3.14Å |
| 485 | N | 93.8 | Very high | 80 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | trans | -72.4 | 106.4 | -177.6 | -173 | 1.1 | 0 | 0 | 0 | 110.2 | M487 L488 D532 S535 K536 I538 | N485-M487 PolarHBondContact O-N 3.05Å; N485-M487 WeakPolarHBondContact OD1-CA 3.35Å; N485-M487 WeakPolarHBondContact OD1-CB 3.33Å; N485-M487 PolarHBondContact OD1-N 3.07Å; N485-L488 HydrophobicContact CB-CB 4.36Å; N485-L488 WeakPolarHBondContact O-CB 3.45Å; N485-L488 PolarHBondContact O-N 2.64Å; N485-D532 PolarHBondContact ND2-O 2.78Å; N485-S535 WeakPolarHBondContact CB-O 3.48Å; N485-S535 PolarHBondContact ND2-O 2.63Å; N485-K536 PolarHBondContact N-O 3.47Å; N485-I538 HydrophobicContact CB-CG2 3.84Å | ||
| 486 | F | 94.2 | Very high | 78.4 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 1% | 0.013 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -14.6 | 176.8 | 61.8 | -95.8 | 0 | 0 | 0 | 112.7 | L139 M352 T357 M359 F368 H484 I538 | L139-F486 WeakPolarHBondContact CD1-O 3.36Å; L139-F486 HydrophobicContact CD2-CD2 4.44Å; M352-F486 HydrophobicContact CE-CE1 4.27Å; M352-F486 HydrophobicContact CE-CZ 3.85Å; M352-F486 HydrophobicContact CG-CZ 4.13Å; M352-F486 HydrophobicContact SD-CZ 4.08Å; T357-F486 HydrophobicContact CG2-CD2 4.4Å; T357-F486 HydrophobicContact CG2-CE2 4.32Å; M359-F486 HydrophobicContact CE-CB 4.04Å; M359-F486 HydrophobicContact CE-CD1 3.56Å; M359-F486 HydrophobicContact CE-CD2 4.45Å; M359-F486 HydrophobicContact CE-CE1 4.1Å; M359-F486 HydrophobicContact CE-CG 3.77Å; M359-F486 HydrophobicContact SD-CB 4.07Å; M359-F486 HydrophobicContact SD-CG 4.32Å; F368-F486 WeakPolarHBondContact CB-O 3.25Å; F368-F486 HydrophobicContact CD2-CB 3.64Å; F368-F486 HydrophobicContact CE2-CB 3.88Å; F368-F486 HydrophobicContact CG-CB 4.1Å; H484-F486 PolarHBondContact O-N 3.36Å; H484-F486 VanDerWaalsContact O-N 3.14Å; F486-I538 HydrophobicContact CD1-CD1 4.12Å; F486-I538 HydrophobicContact CE1-CD1 3.84Å |
| 487 | M | 91.6 | Very high | 76.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 5.5 | 177.8 | -58 | -75.3 | -71.8 | 0 | 0 | 113.3 | V7 Y355 T357 N485 G489 L490 L492 L531 V533 | V7-M487 HydrophobicContact CG2-CE 4.3Å; Y355-M487 HydrophobicContact CD2-CE 4.3Å; Y355-M487 HydrophobicContact CG-CE 4.29Å; T357-M487 VanDerWaalsContact CB-SD 3.59Å; T357-M487 HydrophobicContact CG2-SD 3.44Å; T357-M487 WeakPolarHBondContact CG2-SD 3.37Å; N485-M487 PolarHBondContact O-N 3.05Å; N485-M487 WeakPolarHBondContact OD1-CA 3.35Å; N485-M487 WeakPolarHBondContact OD1-CB 3.33Å; N485-M487 PolarHBondContact OD1-N 3.07Å; M487-G489 PolarHBondContact O-N 3Å; M487-L490 HydrophobicContact CB-CD1 4.13Å; M487-L490 HydrophobicContact CE-CD1 3.83Å; M487-L490 HydrophobicContact CG-CD1 4.49Å; M487-L490 WeakPolarHBondContact O-CB 3.41Å; M487-L490 WeakPolarHBondContact O-CG 3.45Å; M487-L490 PolarHBondContact O-N 3.21Å; M487-L490 VanDerWaalsContact O-N 3.15Å; M487-L490 HydrophobicContact SD-CD1 3.62Å; M487-L492 HydrophobicContact CE-CD2 3.96Å; M487-L531 HydrophobicContact CB-CD2 3.47Å; M487-L531 VanDerWaalsContact CB-CD2 3.47Å; M487-L531 HydrophobicContact CE-CD2 4.47Å; M487-L531 HydrophobicContact CG-CD2 3.39Å; M487-V533 HydrophobicContact CB-CG1 4.38Å |
| 488 | L | 91.9 | Very high | 75.1 | Confident | 21 Ų | 21 | 36 Ų | 36 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 128.3 | -175.6 | -176.6 | 66.7 | 0 | 0 | 0 | 112.1 | P49 F368 F369 M370 N485 L490 V533 K534 | P49-L488 HydrophobicContact CB-CD2 3.86Å; F368-L488 WeakPolarHBondContact O-CD2 3.46Å; F369-L488 CarbonylContact C-O 3.59Å; F369-L488 WeakPolarHBondContact CA-O 3.42Å; F369-L488 HydrophobicContact CD2-CD2 4.5Å; F369-L488 HydrophobicContact CD2-CG 4.23Å; M370-L488 PolarHBondContact N-O 3.02Å; N485-L488 HydrophobicContact CB-CB 4.36Å; N485-L488 WeakPolarHBondContact O-CB 3.45Å; N485-L488 PolarHBondContact O-N 2.64Å; L488-L490 PolarHBondContact O-N 3.27Å; L488-V533 CarbonylContact C-O 3.6Å; L488-V533 WeakPolarHBondContact CA-O 3.45Å; L488-K534 WeakPolarHBondContact CD1-O 3.41Å |
| 489 | G | 88.4 | Confident | 73.4 | Confident | 20 Ų | 20 | 37.9 Ų | 37.9 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 2.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q10 M370 M487 V533 | Q10-G489 PolarHBondContact NE2-O 3.19Å; Q10-G489 VanDerWaalsContact NE2-O 3.15Å; Q10-G489 PolarHBondContact OE1-O 2.92Å; M370-G489 WeakPolarHBondContact CG-O 3.28Å; M487-G489 PolarHBondContact O-N 3Å; G489-V533 PolarHBondContact N-O 3.02Å |
| 490 | L | 87.7 | Confident | 71.3 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 150.1 | 174.7 | -68.3 | 177.7 | 0 | 0 | 0 | 111.9 | V7 Q10 L139 F141 M487 L488 V533 | V7-L490 HydrophobicContact CG1-CB 4.35Å; V7-L490 HydrophobicContact CG1-CD1 4.13Å; V7-L490 HydrophobicContact CG1-CD2 4.06Å; V7-L490 HydrophobicContact CG1-CG 4.43Å; Q10-L490 VanDerWaalsContact OE1-CA 3.23Å; L139-L490 HydrophobicContact CD1-CD1 4.11Å; F141-L490 HydrophobicContact CE1-CD1 3.8Å; F141-L490 HydrophobicContact CE1-CD2 4.21Å; F141-L490 HydrophobicContact CZ-CD1 4.06Å; F141-L490 HydrophobicContact CZ-CD2 3.75Å; M487-L490 HydrophobicContact CB-CD1 4.13Å; M487-L490 HydrophobicContact CE-CD1 3.83Å; M487-L490 HydrophobicContact CG-CD1 4.49Å; M487-L490 WeakPolarHBondContact O-CB 3.41Å; M487-L490 WeakPolarHBondContact O-CG 3.45Å; M487-L490 PolarHBondContact O-N 3.21Å; M487-L490 VanDerWaalsContact O-N 3.15Å; M487-L490 HydrophobicContact SD-CD1 3.62Å; L488-L490 PolarHBondContact O-N 3.27Å; L490-V533 HydrophobicContact CB-CG1 4.24Å; L490-V533 WeakPolarHBondContact O-CB 3.4Å; L490-V533 WeakPolarHBondContact O-CG2 3.1Å |
| 491 | N | 82.3 | Confident | 69.3 | Low | 76 Ų | 76 | 47.8 Ų | 47.8 | 41% | 0.406 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -96.1 | 120.2 | 169.1 | -76.7 | -8.9 | 0 | 0 | 0 | 110.1 | E8 Q10 | E8-N491 HydrophobicContact CB-CB 4Å; E8-N491 HydrophobicContact CG-CB 4.23Å; E8-N491 PolarHBondContact N-O 3.04Å; Q10-N491 HydrophobicContact CG-CB 4.21Å; Q10-N491 PolarHBondContact NE2-ND2 3.3Å; Q10-N491 VanDerWaalsContact NE2-ND2 3.17Å; Q10-N491 PolarHBondContact NE2-OD1 3.46Å; Q10-N491 VanDerWaalsContact NE2-OD1 3.13Å |
| 492 | L | 76.4 | Confident | 67 | Low | 26 Ų | 26 | 52 Ų | 52 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 117 | 174.7 | -61.9 | -179.7 | 0 | 0 | 0 | 109.1 | I5 V7 M487 P530 L531 V533 | I5-L492 HydrophobicContact CG2-CB 3.88Å; I5-L492 HydrophobicContact CG2-CD1 4.43Å; I5-L492 HydrophobicContact CG2-CD2 4.15Å; I5-L492 HydrophobicContact CG2-CG 4.37Å; V7-L492 HydrophobicContact CB-CD2 4.44Å; V7-L492 HydrophobicContact CG2-CD2 3.75Å; M487-L492 HydrophobicContact CE-CD2 3.96Å; L492-P530 HydrophobicContact CB-CB 4Å; L492-P530 HydrophobicContact CD1-CB 3.66Å; L492-P530 HydrophobicContact CG-CB 4.48Å; L492-L531 HydrophobicContact CD1-CB 4.13Å; L492-L531 WeakPolarHBondContact CD1-O 3.37Å; L492-V533 HydrophobicContact CD1-CG1 3.55Å; L492-V533 HydrophobicContact CG-CG1 3.74Å |
| 493 | N | 64.8 | Low | 64.3 | Low | 81 Ų | 81 | 58.6 Ų | 58.6 | 43% | 0.433 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.4 | 174.4 | -105.8 | -1.6 | 0 | 0 | 0 | 111 | I5 I6 E8 S495 | I5-N493 WeakPolarHBondContact CA-O 3.17Å; I6-N493 PolarHBondContact N-O 3.12Å; I6-N493 PolarHBondContact O-N 2.96Å; E8-N493 HydrophobicContact CG-CB 3.88Å; E8-N493 PolarHBondContact OE1-ND2 2.89Å; N493-S495 PolarHBondContact O-N 3.22Å |
| 494 | T | 56.8 | Low | 61.5 | Low | 84 Ų | 84 | 62.6 Ų | 62.6 | 52% | 0.515 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 101.9 | 168.3 | 36.5 | 0 | 0 | 0 | 0 | 108.4 | I5 | I5-T494 HydrophobicContact CG1-CG2 4.06Å |
| 495 | S | 46 | Very low | 58.3 | Low | 38 Ų | 38 | 70.4 Ų | 70.4 | 27% | 0.266 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 141.5 | 174.6 | 64.8 | 0 | 0 | 0 | 0 | 111.1 | N4 I6 N493 | N4-S495 PolarHBondContact N-O 2.97Å; N4-S495 PolarHBondContact O-N 3.35Å; N4-S495 PolarHBondContact O-OG 2.69Å; I6-S495 WeakPolarHBondContact CD1-OG 3.45Å; I6-S495 WeakPolarHBondContact CG1-OG 3.47Å; N493-S495 PolarHBondContact O-N 3.22Å |
| 496 | V | 34.2 | Very low | 55.4 | Low | 124 Ų | 124 | 80 Ų | 80 | 75% | 0.752 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -56.4 | 143.7 | 173.1 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | F498 | V496-F498 PolarHBondContact O-N 3.49Š|
| 497 | P | 37.9 | Very low | 52.4 | Low | 77 Ų | 77 | 85.8 Ų | 85.8 | 50% | 0.5 | 47% | 0.473 | S | S | . | . | trans | -65.6 | 134.9 | -148.2 | 23.3 | -32.5 | 0 | 0 | 0 | 113.9 | A2 S499 | A2-P497 WeakPolarHBondContact O-CD 3.23Å; P497-S499 PolarHBondContact O-N 3.11Å | ||
| 498 | F | 33.1 | Very low | 49.3 | Very low | 130 Ų | 130 | 91.9 Ų | 91.9 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | trans | -93.8 | 52.3 | 174.3 | -151.1 | -86.5 | 0 | 0 | 0 | 111.2 | V496 | V496-F498 PolarHBondContact O-N 3.49Š| ||
| 499 | S | 34 | Very low | 46.5 | Very low | 49 Ų | 49 | 97.2 Ų | 97.2 | 34% | 0.343 | 54% | 0.537 | S | S | . | . | trans | -107.6 | 107.4 | 167.9 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | P497 L501 T502 | P497-S499 PolarHBondContact O-N 3.11Å; S499-L501 PolarHBondContact O-N 2.97Å; S499-L501 WeakPolarHBondContact OG-CA 3.43Å; S499-L501 WeakPolarHBondContact OG-CB 3.36Å; S499-L501 PolarHBondContact OG-N 2.98Å; S499-T502 WeakPolarHBondContact CB-OG1 3.07Å; S499-T502 PolarHBondContact OG-N 3.34Å; S499-T502 PolarHBondContact OG-OG1 3.01Å | ||
| 500 | P | 37.5 | Very low | 43.7 | Very low | 108 Ų | 108 | 100.2 Ų | 100.2 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 3 | 159.6 | 32 | -30.5 | 0 | 0 | 0 | 111.6 | ||
| 501 | L | 41.3 | Very low | 41.3 | Very low | 118 Ų | 118 | 105.1 Ų | 105.1 | 62% | 0.618 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 7.3 | -170.3 | -60.4 | 159.9 | 0 | 0 | 0 | 113.1 | S499 F721 | S499-L501 PolarHBondContact O-N 2.97Å; S499-L501 WeakPolarHBondContact OG-CA 3.43Å; S499-L501 WeakPolarHBondContact OG-CB 3.36Å; S499-L501 PolarHBondContact OG-N 2.98Å; L501-F721 HydrophobicContact CD1-CE1 3.41Å; L501-F721 VanDerWaalsContact CD1-CE1 3.41Å; L501-F721 HydrophobicContact CD1-CZ 3.54Å; L501-F721 HydrophobicContact CD2-CE1 3.65Å; L501-F721 HydrophobicContact CD2-CZ 4.2Å; L501-F721 HydrophobicContact CG-CE1 4.1Å; L501-F721 HydrophobicContact CG-CZ 4.49Å |
| 502 | T | 38.6 | Very low | 39.2 | Very low | 89 Ų | 89 | 109.6 Ų | 109.6 | 55% | 0.546 | 60% | 0.602 | S | S | . | * | trans | -126 | 60.1 | 179.4 | -34 | 0 | 0 | 0 | 0 | 109.5 | S499 V504 | S499-T502 WeakPolarHBondContact CB-OG1 3.07Å; S499-T502 PolarHBondContact OG-N 3.34Å; S499-T502 PolarHBondContact OG-OG1 3.01Å; T502-V504 HydrophobicContact CG2-CB 4.05Å; T502-V504 HydrophobicContact CG2-CG2 3.44Å; T502-V504 VanDerWaalsContact CG2-CG2 3.44Å; T502-V504 PolarHBondContact O-N 2.93Å | ||
| 503 | D | 31.9 | Very low | 37.5 | Very low | 166 Ų | 166 | 112.7 Ų | 112.7 | 89% | 0.888 | 62% | 0.619 | S | S | * | * | trans | -73.5 | 70.5 | 145.8 | -115.9 | 2.5 | 0 | 0 | 0 | 106.5 | Q505 | D503-Q505 VanDerWaalsContact C-N 3.32Å; D503-Q505 PolarHBondContact O-N 3.45Å | ||
| 504 | V | 34.4 | Very low | 36.2 | Very low | 88 Ų | 88 | 117 Ų | 117 | 53% | 0.533 | 64% | 0.636 | S | S | . | * | trans | -83.4 | 95.9 | 159 | 176.1 | 0 | 0 | 0 | 0 | 103.7 | T502 Y506 | T502-V504 HydrophobicContact CG2-CB 4.05Å; T502-V504 HydrophobicContact CG2-CG2 3.44Å; T502-V504 VanDerWaalsContact CG2-CG2 3.44Å; T502-V504 PolarHBondContact O-N 2.93Å; V504-Y506 VanDerWaalsContact C-N 3.26Å; V504-Y506 WeakPolarHBondContact O-CD2 3.25Å; V504-Y506 PolarHBondContact O-N 3.4Å | ||
| 505 | Q | 28.4 | Very low | 35.4 | Very low | 177 Ų | 177 | 118.9 Ų | 118.9 | 83% | 0.827 | 65% | 0.647 | S | S | * | * | trans | -51 | 105.8 | 152.5 | -85 | -179.7 | -29.7 | 0 | 0 | 105.8 | D503 T507 | D503-Q505 VanDerWaalsContact C-N 3.32Å; D503-Q505 PolarHBondContact O-N 3.45Å; Q505-T507 PolarHBondContact O-N 3.24Å | ||
| 506 | Y | 33 | Very low | 35 | Very low | 202 Ų | 202 | 122.9 Ų | 122.9 | 79% | 0.792 | 67% | 0.666 | S | S | * | * | trans | -58.3 | 106.7 | 170.4 | -78.4 | -92.2 | 0 | 0 | 0 | 107.1 | V504 V508 | V504-Y506 VanDerWaalsContact C-N 3.26Å; V504-Y506 WeakPolarHBondContact O-CD2 3.25Å; V504-Y506 PolarHBondContact O-N 3.4Å; Y506-V508 PolarHBondContact O-N 2.78Å; Y506-V508 VanDerWaalsContact O-N 3.17Å | ||
| 507 | T | 29.8 | Very low | 35.3 | Very low | 126 Ų | 126 | 121.4 Ų | 121.4 | 77% | 0.773 | 67% | 0.667 | S | S | * | * | trans | -63.3 | 111.6 | 147.5 | -37.1 | 0 | 0 | 0 | 0 | 104.2 | Q505 L509 | Q505-T507 PolarHBondContact O-N 3.24Å; T507-L509 PolarHBondContact O-N 3.13Å | ||
| 508 | V | 27.3 | Very low | 35.6 | Very low | 127 Ų | 127 | 123.1 Ų | 123.1 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | trans | -49 | 110.5 | 171.7 | 175.8 | 0 | 0 | 0 | 0 | 107.1 | Y506 T510 | Y506-V508 PolarHBondContact O-N 2.78Å; Y506-V508 VanDerWaalsContact O-N 3.17Å; V508-T510 PolarHBondContact O-N 2.92Å | ||
| 509 | L | 32 | Very low | 36 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | trans | -66.5 | 130.4 | 173.4 | -74.1 | 163.8 | 0 | 0 | 0 | 107.3 | T507 | T507-L509 PolarHBondContact O-N 3.13Š| ||
| 510 | T | 31 | Very low | 36.3 | Very low | 82 Ų | 82 | 123.1 Ų | 123.1 | 50% | 0.503 | 68% | 0.681 | S | S | . | * | trans | -69.6 | 147.3 | 174.6 | 39.8 | 0 | 0 | 0 | 0 | 109.8 | V508 E512 D513 | V508-T510 PolarHBondContact O-N 2.92Å; T510-E512 PolarHBondContact O-N 3.09Å; T510-D513 PolarHBondContact O-N 3.44Å | ||
| 511 | P | 36.2 | Very low | 36.6 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -57.1 | -9.8 | -177 | -24 | 32.9 | 0 | 0 | 0 | 115.9 | D513 | P511-D513 VanDerWaalsContact C-N 3.3Å; P511-D513 PolarHBondContact O-N 3.45Å |
| 512 | E | 38.6 | Very low | 36.6 | Very low | 171 Ų | 171 | 123.2 Ų | 123.2 | 80% | 0.799 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -75.2 | -15.5 | -179.4 | -64.3 | 175.5 | 179.4 | 0 | 0 | 113.3 | T510 | T510-E512 PolarHBondContact O-N 3.09Š|
| 513 | D | 40.2 | Very low | 36.9 | Very low | 90 Ų | 90 | 123.1 Ų | 123.1 | 48% | 0.481 | 68% | 0.675 | S | S | . | * | G | 310 helix | trans | -86.6 | -2.4 | 175.8 | -79.1 | -43.7 | 0 | 0 | 0 | 113.7 | T510 P511 | T510-D513 PolarHBondContact O-N 3.44Å; P511-D513 VanDerWaalsContact C-N 3.3Å; P511-D513 PolarHBondContact O-N 3.45Å |
| 514 | E | 38.5 | Very low | 37.9 | Very low | 172 Ų | 172 | 116.9 Ų | 116.9 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -88.4 | 0.5 | -179.5 | -81.7 | -173.1 | 167.5 | 0 | 0 | 114.5 | ||
| 515 | V | 38.9 | Very low | 38.5 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 75% | 0.745 | 65% | 0.646 | S | S | * | * | trans | -108 | 62.7 | -176.8 | -139.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 516 | D | 37.1 | Very low | 39.6 | Very low | 123 Ų | 123 | 116.3 Ų | 116.3 | 66% | 0.658 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -132.5 | 130.9 | 156.6 | -100.2 | -30.4 | 0 | 0 | 0 | 108.8 | ||
| 517 | A | 41.5 | Very low | 40.6 | Very low | 93 Ų | 93 | 107.4 Ų | 107.4 | 77% | 0.769 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -57.6 | 145.3 | -152.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 518 | V | 44.2 | Very low | 41.9 | Very low | 112 Ų | 112 | 105 Ų | 105 | 68% | 0.679 | 57% | 0.573 | S | S | * | * | trans | 76 | 90 | 169.1 | -159.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 519 | T | 42.2 | Very low | 43.7 | Very low | 82 Ų | 82 | 102.5 Ų | 102.5 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | trans | -157 | 117 | 144 | 31.3 | 0 | 0 | 0 | 0 | 109.6 | F524 | T519-F524 HydrophobicContact CG2-CE2 3.42Å; T519-F524 VanDerWaalsContact CG2-CE2 3.42Å; T519-F524 HydrophobicContact CG2-CZ 3.71Å | ||
| 520 | D | 40.3 | Very low | 45.3 | Very low | 98 Ų | 98 | 98.7 Ų | 98.7 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | trans | -73.5 | 125.2 | 153.4 | -170.9 | -20.7 | 0 | 0 | 0 | 106.5 | D522 E523 | D520-D522 PolarHBondContact O-N 2.91Å; D520-D522 VanDerWaalsContact O-N 3.08Å; D520-D522 PolarHBondContact OD1-N 2.78Å; D520-E523 HydrophobicContact CB-CB 4.3Å; D520-E523 WeakPolarHBondContact O-CB 3.31Å; D520-E523 PolarHBondContact O-N 2.83Å; D520-E523 VanDerWaalsContact O-N 3.16Å | ||
| 521 | P | 43 | Very low | 47.5 | Very low | 110 Ų | 110 | 95 Ų | 95 | 71% | 0.714 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -19.4 | -178.7 | 16.1 | -27.2 | 0 | 0 | 0 | 114.4 | ||
| 522 | D | 41.7 | Very low | 49.4 | Very low | 118 Ų | 118 | 93.3 Ų | 93.3 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -0.2 | -179.4 | -64.1 | -25.5 | 0 | 0 | 0 | 114 | D520 F524 | D520-D522 PolarHBondContact O-N 2.91Å; D520-D522 VanDerWaalsContact O-N 3.08Å; D520-D522 PolarHBondContact OD1-N 2.78Å; D522-F524 PolarHBondContact O-N 2.67Å; D522-F524 VanDerWaalsContact O-N 3.08Å |
| 523 | E | 45.7 | Very low | 51.6 | Low | 86 Ų | 86 | 86.3 Ų | 86.3 | 40% | 0.402 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -6 | -176.4 | -163.6 | 176 | -176.6 | 0 | 0 | 113.9 | D520 | D520-E523 HydrophobicContact CB-CB 4.3Å; D520-E523 WeakPolarHBondContact O-CB 3.31Å; D520-E523 PolarHBondContact O-N 2.83Å; D520-E523 VanDerWaalsContact O-N 3.16Å |
| 524 | F | 51.7 | Low | 53.7 | Low | 35 Ų | 35 | 90.2 Ų | 90.2 | 15% | 0.154 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 9.8 | -161.1 | -61.6 | -64.5 | 0 | 0 | 0 | 115.7 | M338 F339 T519 D522 R526 I527 M592 | M338-F524 HydrophobicContact CE-CE1 4.36Å; F339-F524 HydrophobicContact CE1-CD1 4.09Å; F339-F524 HydrophobicContact CZ-CD1 4.17Å; T519-F524 HydrophobicContact CG2-CE2 3.42Å; T519-F524 VanDerWaalsContact CG2-CE2 3.42Å; T519-F524 HydrophobicContact CG2-CZ 3.71Å; D522-F524 PolarHBondContact O-N 2.67Å; D522-F524 VanDerWaalsContact O-N 3.08Å; F524-R526 PolarHBondContact O-N 2.58Å; F524-I527 HydrophobicContact CB-CD1 3.67Å; F524-I527 HydrophobicContact CB-CG1 4.36Å; F524-I527 HydrophobicContact CD1-CD1 4.01Å; F524-I527 HydrophobicContact CG-CD1 4.22Å; F524-I527 WeakPolarHBondContact O-CD1 3.38Å; F524-I527 VanDerWaalsContact O-CG1 3.27Å; F524-I527 WeakPolarHBondContact O-CG1 3.3Å; F524-I527 PolarHBondContact O-N 3.43Å; F524-M592 HydrophobicContact CD1-CE 4.05Å; F524-M592 HydrophobicContact CE1-CE 4.3Å |
| 525 | D | 46.3 | Very low | 56 | Low | 122 Ų | 122 | 84.1 Ų | 84.1 | 65% | 0.652 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -64.3 | -26.4 | -175.6 | -82.9 | -18.6 | 0 | 0 | 0 | 113.5 | ||
| 526 | R | 51.7 | Low | 58.3 | Low | 131 Ų | 131 | 82.7 Ų | 82.7 | 49% | 0.494 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -86.2 | -6.7 | -174.9 | -59 | -162.8 | -174.9 | -175 | 0.2 | 116 | D333 F524 Y528 E529 | D333-R526 PolarHBondContact O-NH1 3.42Å; F524-R526 PolarHBondContact O-N 2.58Å; R526-Y528 PolarHBondContact O-N 2.58Å; R526-E529 HydrophobicContact CB-CG 4.31Å; R526-E529 WeakPolarHBondContact CG-OE1 3.35Å; R526-E529 IonicContact NE-OE1 3.74Å; R526-E529 WeakPolarHBondContact O-CB 3.38Å; R526-E529 PolarHBondContact O-N 3.26Å |
| 527 | I | 54.1 | Low | 60.8 | Low | 16 Ų | 16 | 78.2 Ų | 78.2 | 8% | 0.082 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -61.4 | -29.7 | 176.6 | -41.2 | 159.7 | 0 | 0 | 0 | 111.1 | F339 K354 F524 M592 | F339-I527 HydrophobicContact CD1-CB 4.21Å; F339-I527 HydrophobicContact CD1-CD1 4.44Å; F339-I527 HydrophobicContact CD1-CG1 3.47Å; F339-I527 VanDerWaalsContact CD1-CG1 3.47Å; F339-I527 HydrophobicContact CD1-CG2 4.17Å; F339-I527 HydrophobicContact CE1-CD1 4.12Å; F339-I527 HydrophobicContact CE1-CG1 3.46Å; F339-I527 VanDerWaalsContact CE1-CG1 3.46Å; F339-I527 HydrophobicContact CG-CG1 4.4Å; F339-I527 HydrophobicContact CZ-CG1 4.42Å; K354-I527 PolarHBondContact NZ-O 3.26Å; F524-I527 HydrophobicContact CB-CD1 3.67Å; F524-I527 HydrophobicContact CB-CG1 4.36Å; F524-I527 HydrophobicContact CD1-CD1 4.01Å; F524-I527 HydrophobicContact CG-CD1 4.22Å; F524-I527 WeakPolarHBondContact O-CD1 3.38Å; F524-I527 VanDerWaalsContact O-CG1 3.27Å; F524-I527 WeakPolarHBondContact O-CG1 3.3Å; F524-I527 PolarHBondContact O-N 3.43Å; I527-M592 HydrophobicContact CD1-CE 3.47Å; I527-M592 VanDerWaalsContact CD1-CE 3.47Å; I527-M592 HydrophobicContact CG1-CE 4.06Å |
| 528 | Y | 57.4 | Low | 63.1 | Low | 75 Ų | 75 | 74 Ų | 74 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -89.7 | 3.5 | -179.2 | -55.8 | -80.1 | 0 | 0 | 0 | 113.2 | A2 I5 R526 | A2-Y528 HydrophobicContact CB-CE1 3.94Å; I5-Y528 WeakPolarHBondContact CD1-O 3.45Å; R526-Y528 PolarHBondContact O-N 2.58Å |
| 529 | E | 64.6 | Low | 65.3 | Low | 74 Ų | 74 | 69.7 Ų | 69.7 | 35% | 0.346 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 126.2 | 172.4 | -76.7 | 179.3 | 178.1 | 0 | 0 | 109.3 | K331 R526 | K331-E529 PolarHBondContact NZ-O 3.28Å; R526-E529 HydrophobicContact CB-CG 4.31Å; R526-E529 WeakPolarHBondContact CG-OE1 3.35Å; R526-E529 IonicContact NE-OE1 3.74Å; R526-E529 WeakPolarHBondContact O-CB 3.38Å; R526-E529 PolarHBondContact O-N 3.26Å |
| 530 | P | 66.5 | Low | 67.6 | Low | 54 Ų | 54 | 65.8 Ų | 65.8 | 35% | 0.351 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 157.4 | 178.3 | 27.1 | -32.4 | 0 | 0 | 0 | 111.6 | I5 L492 | I5-P530 HydrophobicContact CD1-CB 4.09Å; I5-P530 HydrophobicContact CG2-CB 4.24Å; L492-P530 HydrophobicContact CB-CB 4Å; L492-P530 HydrophobicContact CD1-CB 3.66Å; L492-P530 HydrophobicContact CG-CB 4.48Å |
| 531 | L | 76.2 | Confident | 70.1 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 141.9 | 167.7 | -177 | 80.7 | 0 | 0 | 0 | 111 | H329 M352 Y355 M487 L492 V533 | H329-L531 WeakPolarHBondContact CD2-CD1 3.35Å; H329-L531 WeakPolarHBondContact NE2-CD1 3.27Å; M352-L531 HydrophobicContact CE-CD1 4.46Å; M352-L531 HydrophobicContact SD-CD2 4.46Å; Y355-L531 HydrophobicContact CE2-CB 4.04Å; Y355-L531 PolarHBondContact OH-N 3.03Å; M487-L531 HydrophobicContact CB-CD2 3.47Å; M487-L531 VanDerWaalsContact CB-CD2 3.47Å; M487-L531 HydrophobicContact CE-CD2 4.47Å; M487-L531 HydrophobicContact CG-CD2 3.39Å; L492-L531 HydrophobicContact CD1-CB 4.13Å; L492-L531 WeakPolarHBondContact CD1-O 3.37Å; L531-V533 PolarHBondContact O-N 2.99Å; L531-V533 VanDerWaalsContact O-N 3.14Å |
| 532 | D | 76.9 | Confident | 72.5 | Confident | 69 Ų | 69 | 56 Ų | 56 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | trans | -68.2 | 111.1 | 166.5 | -179.4 | 27.7 | 0 | 0 | 0 | 111 | N485 K534 S535 | N485-D532 PolarHBondContact ND2-O 2.78Å; D532-K534 VanDerWaalsContact C-N 3.32Å; D532-K534 WeakPolarHBondContact OD1-CB 3.42Å; D532-K534 PolarHBondContact OD1-N 3.18Å; D532-S535 WeakPolarHBondContact OD2-CB 3.07Å; D532-S535 PolarHBondContact OD2-N 3.09Å | ||
| 533 | V | 84.1 | Confident | 74.9 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 15% | 0.145 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -87.2 | -0.3 | 177.2 | -67.2 | 0 | 0 | 0 | 0 | 112.8 | M487 L488 G489 L490 L492 L531 | M487-V533 HydrophobicContact CB-CG1 4.38Å; L488-V533 CarbonylContact C-O 3.6Å; L488-V533 WeakPolarHBondContact CA-O 3.45Å; G489-V533 PolarHBondContact N-O 3.02Å; L490-V533 HydrophobicContact CB-CG1 4.24Å; L490-V533 WeakPolarHBondContact O-CB 3.4Å; L490-V533 WeakPolarHBondContact O-CG2 3.1Å; L492-V533 HydrophobicContact CD1-CG1 3.55Å; L492-V533 HydrophobicContact CG-CG1 3.74Å; L531-V533 PolarHBondContact O-N 2.99Å; L531-V533 VanDerWaalsContact O-N 3.14Å |
| 534 | K | 84.6 | Confident | 76.9 | Confident | 173 Ų | 173 | 47 Ų | 47 | 75% | 0.752 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -99.2 | -31.2 | 179.9 | -59 | -178.4 | -177.8 | 175.9 | 0 | 112.5 | L488 D532 K536 | L488-K534 WeakPolarHBondContact CD1-O 3.41Å; D532-K534 VanDerWaalsContact C-N 3.32Å; D532-K534 WeakPolarHBondContact OD1-CB 3.42Å; D532-K534 PolarHBondContact OD1-N 3.18Å; K534-K536 PolarHBondContact O-N 3.27Å |
| 535 | S | 86.7 | Confident | 78.4 | Confident | 43 Ų | 43 | 46.1 Ų | 46.1 | 30% | 0.301 | 23% | 0.225 | S | C | . | . | trans | -59.6 | 132.1 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | N485 D532 K537 | N485-S535 WeakPolarHBondContact CB-O 3.48Å; N485-S535 PolarHBondContact ND2-O 2.63Å; D532-S535 WeakPolarHBondContact OD2-CB 3.07Å; D532-S535 PolarHBondContact OD2-N 3.09Å; S535-K537 VanDerWaalsContact C-N 3.27Å; S535-K537 PolarHBondContact O-N 3.1Å; S535-K537 PolarHBondContact OG-N 2.68Å; S535-K537 PolarHBondContact OG-O 3.04Å | ||
| 536 | K | 88.8 | Confident | 80.1 | Confident | 93 Ų | 93 | 41.4 Ų | 41.4 | 40% | 0.404 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -67.4 | -26.2 | 178.6 | -63.3 | 178.8 | -175.9 | 170.3 | 0 | 112.9 | D431 N485 K534 | D431-K536 PolarHBondContact O-NZ 3.27Å; N485-K536 PolarHBondContact N-O 3.47Å; K534-K536 PolarHBondContact O-N 3.27Å |
| 537 | K | 89.3 | Confident | 81.8 | Confident | 29 Ų | 29 | 35.3 Ų | 35.3 | 13% | 0.126 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 150.8 | -171.4 | -60 | 167.8 | -168.1 | 161.3 | 0 | 109.6 | D431 D433 K482 V483 S535 | D431-K537 IonicContact OD2-NZ 3.19Å; D431-K537 PolarHBondContact OD2-NZ 3.11Å; D433-K537 IonicContact OD2-NZ 3.85Å; D433-K537 PolarHBondContact OD2-NZ 2.9Å; K482-K537 HydrophobicContact CD-CB 4.38Å; K482-K537 HydrophobicContact CD-CD 4.14Å; K482-K537 HydrophobicContact CG-CB 4.04Å; K482-K537 HydrophobicContact CG-CD 4.44Å; V483-K537 CarbonylContact O-C 3.53Å; V483-K537 VanDerWaalsContact O-CA 3.28Å; V483-K537 WeakPolarHBondContact O-CA 3.38Å; S535-K537 VanDerWaalsContact C-N 3.27Å; S535-K537 PolarHBondContact O-N 3.1Å; S535-K537 PolarHBondContact OG-N 2.68Å; S535-K537 PolarHBondContact OG-O 3.04Å |
| 538 | I | 90.1 | Very high | 83.6 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 146.1 | 174.2 | 56.4 | 172.1 | 0 | 0 | 0 | 110.6 | M352 K482 V483 N485 F486 V540 | M352-I538 HydrophobicContact CE-CD1 4.39Å; K482-I538 WeakPolarHBondContact CA-O 3.38Å; V483-I538 HydrophobicContact CG2-CD1 3.91Å; V483-I538 HydrophobicContact CG2-CG1 3.51Å; V483-I538 PolarHBondContact N-O 2.86Å; V483-I538 PolarHBondContact O-N 3.38Å; N485-I538 HydrophobicContact CB-CG2 3.84Å; F486-I538 HydrophobicContact CD1-CD1 4.12Å; F486-I538 HydrophobicContact CE1-CD1 3.84Å; I538-V540 HydrophobicContact CD1-CG1 4.37Å |
| 539 | H | 88.9 | Confident | 85.5 | Confident | 22 Ų | 22 | 32 Ų | 32 | 10% | 0.102 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.2 | 173 | -64.9 | -94.9 | 0 | 0 | 0 | 109.3 | H329 V330 V425 E477 G481 | H329-H539 VanDerWaalsContact CA-O 3.31Å; H329-H539 WeakPolarHBondContact CA-O 3.41Å; H329-H539 PolarHBondContact ND1-O 3.1Å; V330-H539 PolarHBondContact N-O 2.81Å; V425-H539 HydrophobicContact CG1-CB 4.14Å; E477-H539 IonicContact OE1-CE1 2.71Å; E477-H539 PolarHBondContact OE1-CE1 3.25Å; E477-H539 IonicContact OE1-NE2 2.74Å; G481-H539 CarbonylContact O-C 3.55Å; G481-H539 WeakPolarHBondContact O-CA 3.43Å |
| 540 | V | 91.9 | Very high | 87 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126 | 178.1 | -71.7 | 0 | 0 | 0 | 0 | 109.5 | L328 V388 G481 V483 I538 | L328-V540 CarbonylContact O-C 3.56Å; L328-V540 VanDerWaalsContact O-CA 3.25Å; L328-V540 WeakPolarHBondContact O-CA 3.34Å; V388-V540 HydrophobicContact CG1-CB 3.94Å; V388-V540 HydrophobicContact CG1-CG2 3.74Å; V388-V540 HydrophobicContact CG2-CG2 4.24Å; G481-V540 VanDerWaalsContact CA-O 3.23Å; G481-V540 WeakPolarHBondContact CA-O 3.48Å; G481-V540 PolarHBondContact N-O 3.1Å; G481-V540 VanDerWaalsContact N-O 3.16Å; G481-V540 PolarHBondContact O-N 3.39Å; V483-V540 HydrophobicContact CG1-CG2 4.16Å; V483-V540 HydrophobicContact CG2-CG1 4.14Å; V483-V540 HydrophobicContact CG2-CG2 4.28Å; I538-V540 HydrophobicContact CD1-CG1 4.37Å |
| 541 | V | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 165.2 | -172.4 | -59.6 | 0 | 0 | 0 | 0 | 113 | C327 L328 V330 S391 I395 I424 A480 S543 L545 | C327-V541 CarbonylContact C-O 3.45Å; C327-V541 WeakPolarHBondContact CA-O 3.28Å; C327-V541 VanDerWaalsContact CB-O 3.27Å; C327-V541 WeakPolarHBondContact CB-O 3.48Å; L328-V541 HydrophobicContact CB-CG2 4.03Å; L328-V541 PolarHBondContact N-O 3.44Å; L328-V541 PolarHBondContact O-N 2.86Å; V330-V541 HydrophobicContact CG2-CG2 3.41Å; V330-V541 VanDerWaalsContact CG2-CG2 3.41Å; S391-V541 WeakPolarHBondContact OG-CA 3.47Å; S391-V541 WeakPolarHBondContact OG-CB 3.39Å; I395-V541 HydrophobicContact CD1-CB 4.48Å; I395-V541 HydrophobicContact CD1-CG1 4.1Å; I424-V541 HydrophobicContact CG2-CG1 3.76Å; A480-V541 HydrophobicContact CB-CG1 3.9Å; V541-S543 PolarHBondContact O-N 3.14Å; V541-L545 HydrophobicContact CB-CD1 3.8Å; V541-L545 HydrophobicContact CG2-CD1 3.56Å |
| 542 | D | 93.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.011 | 14% | 0.135 | C | C | . | . | trans | -51.1 | 132.9 | 174.5 | -164.9 | -29.7 | 0 | 0 | 0 | 112 | S224 V388 G390 S391 A392 G544 L545 | S224-D542 WeakPolarHBondContact CB-OD1 3.43Å; S224-D542 VanDerWaalsContact CB-OD2 3.23Å; S224-D542 WeakPolarHBondContact CB-OD2 3.44Å; S224-D542 PolarHBondContact OG-OD2 3.16Å; V388-D542 PolarHBondContact O-N 3.38Å; G390-D542 WeakPolarHBondContact CA-OD2 3.2Å; S391-D542 PolarHBondContact OG-N 2.92Å; A392-D542 HydrophobicContact CB-CB 3.91Å; D542-G544 VanDerWaalsContact C-N 3.27Å; D542-G544 PolarHBondContact O-N 2.95Å; D542-G544 PolarHBondContact OD1-N 3.14Å; D542-L545 WeakPolarHBondContact O-CB 3.32Å; D542-L545 WeakPolarHBondContact O-CG 3.39Å; D542-L545 PolarHBondContact O-N 2.95Å | ||
| 543 | S | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -72.2 | -20 | 177.7 | -53.9 | 0 | 0 | 0 | 0 | 114 | T326 C327 V541 L545 T546 Y547 | T326-S543 PolarHBondContact OG1-OG 3.06Å; C327-S543 WeakPolarHBondContact CA-OG 3.31Å; V541-S543 PolarHBondContact O-N 3.14Å; S543-L545 PolarHBondContact O-N 3.25Å; S543-T546 PolarHBondContact O-N 3.42Å; S543-Y547 PolarHBondContact O-N 3.03Å |
| 544 | G | 86.9 | Confident | 91.1 | Very high | 17 Ų | 17 | 22.1 Ų | 22.1 | 18% | 0.175 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -61.8 | -11 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | D542 T546 | D542-G544 VanDerWaalsContact C-N 3.27Å; D542-G544 PolarHBondContact O-N 2.95Å; D542-G544 PolarHBondContact OD1-N 3.14Å; G544-T546 PolarHBondContact O-N 2.59Å |
| 545 | L | 83 | Confident | 91.6 | Very high | 16 Ų | 16 | 14.6 Ų | 14.6 | 8% | 0.084 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -69.7 | -17.2 | 170 | -72.1 | 172.8 | 0 | 0 | 0 | 113.9 | L337 I395 L416 I419 I424 V541 D542 S543 | L337-L545 HydrophobicContact CD1-CB 4.14Å; I395-L545 HydrophobicContact CD1-CD1 4.1Å; L416-L545 HydrophobicContact CD2-CD2 3.54Å; I419-L545 HydrophobicContact CD1-CD2 4.32Å; I424-L545 HydrophobicContact CD1-CD1 3.91Å; V541-L545 HydrophobicContact CB-CD1 3.8Å; V541-L545 HydrophobicContact CG2-CD1 3.56Å; D542-L545 WeakPolarHBondContact O-CB 3.32Å; D542-L545 WeakPolarHBondContact O-CG 3.39Å; D542-L545 PolarHBondContact O-N 2.95Å; S543-L545 PolarHBondContact O-N 3.25Å |
| 546 | T | 82.9 | Confident | 91.8 | Very high | 22 Ų | 22 | 12.9 Ų | 12.9 | 14% | 0.135 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -62.1 | 177.4 | -67.2 | 0 | 0 | 0 | 0 | 111.2 | L328 L337 M338 W342 S543 G544 | L328-T546 WeakPolarHBondContact CD1-OG1 3.47Å; L337-T546 PolarHBondContact O-OG1 3.22Å; M338-T546 HydrophobicContact CB-CG2 4.46Å; W342-T546 HydrophobicContact CZ2-CG2 4.26Å; S543-T546 PolarHBondContact O-N 3.42Å; G544-T546 PolarHBondContact O-N 2.59Å |
| 547 | Y | 86.4 | Confident | 91.8 | Very high | 4 Ų | 4 | 12.4 Ų | 12.4 | 2% | 0.016 | 7% | 0.073 | C | C | . | . | trans | -159.2 | 157.1 | 166.4 | 57.9 | -93.2 | 0 | 0 | 0 | 109 | W342 S543 L549 P552 E582 L585 A586 W589 | W342-Y547 HydrophobicContact CH2-CE1 4.44Å; W342-Y547 HydrophobicContact CH2-CE2 4.17Å; W342-Y547 HydrophobicContact CZ2-CD1 4.34Å; W342-Y547 AromaticContact CZ2-CE1 3.7Å; W342-Y547 HydrophobicContact CZ2-CE1 3.7Å; W342-Y547 HydrophobicContact CZ2-CE2 4.2Å; W342-Y547 AromaticContact CZ2-CZ 3.62Å; S543-Y547 PolarHBondContact O-N 3.03Å; Y547-L549 VanDerWaalsContact C-N 3.33Å; Y547-L549 HydrophobicContact CD2-CB 4.33Å; Y547-L549 WeakPolarHBondContact CD2-O 3.43Å; Y547-L549 WeakPolarHBondContact CE2-O 3.37Å; Y547-L549 PolarHBondContact O-N 3.3Å; Y547-P552 VanDerWaalsContact OH-CD 3.27Å; Y547-P552 WeakPolarHBondContact OH-CD 3.4Å; Y547-P552 WeakPolarHBondContact OH-CG 3.2Å; Y547-E582 VanDerWaalsContact CA-OE2 3.24Å; Y547-E582 WeakPolarHBondContact CA-OE2 3.05Å; Y547-E582 VanDerWaalsContact CB-OE2 3.32Å; Y547-E582 WeakPolarHBondContact CB-OE2 3.25Å; Y547-L585 HydrophobicContact CD1-CB 4.26Å; Y547-L585 HydrophobicContact CG-CB 4.04Å; Y547-A586 HydrophobicContact CD2-CB 4.11Å; Y547-A586 HydrophobicContact CE2-CB 3.76Å; Y547-W589 HydrophobicContact CE1-CB 3.67Å; Y547-W589 AromaticContact CE1-CD1 3.94Å; Y547-W589 AromaticContact CE1-CG 3.77Å; Y547-W589 HydrophobicContact CE1-CG 3.77Å; Y547-W589 AromaticContact CZ-CG 3.92Å; Y547-W589 VanDerWaalsContact OH-CG 3.24Å | ||
| 548 | N | 92.7 | Very high | 91.8 | Very high | 20 Ų | 20 | 13.5 Ų | 13.5 | 11% | 0.107 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -88.7 | 12.4 | -159.9 | -155.5 | 32.9 | 0 | 0 | 0 | 114.9 | S191 G192 L223 S570 E582 | S191-N548 CarbonylContact C-O 3.46Å; S191-N548 WeakPolarHBondContact CA-O 3.1Å; S191-N548 WeakPolarHBondContact CB-O 3.46Å; G192-N548 VanDerWaalsContact C-ND2 3.27Å; G192-N548 WeakPolarHBondContact CA-OD1 3.31Å; G192-N548 PolarHBondContact N-O 3.14Å; G192-N548 VanDerWaalsContact N-O 3.14Å; G192-N548 PolarHBondContact N-OD1 3.2Å; G192-N548 PolarHBondContact O-ND2 2.62Å; L223-N548 WeakPolarHBondContact CD1-OD1 3.43Å; N548-S570 WeakPolarHBondContact CB-OG 3.17Å; N548-S570 PolarHBondContact ND2-OG 3.34Å; N548-E582 HydrophobicContact CB-CB 4.41Å; N548-E582 HydrophobicContact CB-CG 3.85Å; N548-E582 PolarHBondContact N-OE2 2.76Å |
| 549 | L | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -120.5 | 131.2 | -177.2 | -64.3 | 168.5 | 0 | 0 | 0 | 112.7 | L223 Y547 Y551 D568 E582 L583 | L223-L549 VanDerWaalsContact CD2-C 3.44Å; Y547-L549 VanDerWaalsContact C-N 3.33Å; Y547-L549 HydrophobicContact CD2-CB 4.33Å; Y547-L549 WeakPolarHBondContact CD2-O 3.43Å; Y547-L549 WeakPolarHBondContact CE2-O 3.37Å; Y547-L549 PolarHBondContact O-N 3.3Å; L549-Y551 HydrophobicContact CB-CD2 3.54Å; L549-Y551 HydrophobicContact CB-CE2 3.71Å; L549-Y551 HydrophobicContact CD1-CD2 4.35Å; L549-Y551 HydrophobicContact CD1-CE2 3.76Å; L549-Y551 HydrophobicContact CG-CE2 4.25Å; L549-Y551 PolarHBondContact O-N 3.06Å; L549-D568 HydrophobicContact CD2-CB 4.26Å; L549-E582 HydrophobicContact CD1-CB 3.81Å; L549-E582 HydrophobicContact CG-CB 4.04Å; L549-L583 HydrophobicContact CD1-CB 4.26Å; L549-L583 HydrophobicContact CD1-CD1 4.27Å | ||
| 550 | P | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -81.3 | 35.4 | -171.6 | 35 | -38.3 | 0 | 0 | 0 | 114.2 | A189 A221 L223 T326 P552 L553 | A189-P550 HydrophobicContact CB-CG 4.03Å; A221-P550 HydrophobicContact CB-CB 4.38Å; A221-P550 HydrophobicContact CB-CG 4.14Å; L223-P550 HydrophobicContact CB-CB 4.33Å; L223-P550 HydrophobicContact CD2-CB 4.07Å; L223-P550 HydrophobicContact CG-CB 4.38Å; T326-P550 HydrophobicContact CG2-CB 4.33Å; P550-P552 VanDerWaalsContact C-N 3.33Å; P550-L553 HydrophobicContact CB-CD1 4.08Å; P550-L553 WeakPolarHBondContact O-CB 3.4Å; P550-L553 PolarHBondContact O-N 3.15Å; P550-L553 VanDerWaalsContact O-N 3.16Å | ||
| 551 | Y | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -54.1 | -36.3 | -179.3 | -82.4 | -77.3 | 0 | 0 | 0 | 115.2 | L549 L553 I554 L555 I564 L583 A586 F597 V628 | L549-Y551 HydrophobicContact CB-CD2 3.54Å; L549-Y551 HydrophobicContact CB-CE2 3.71Å; L549-Y551 HydrophobicContact CD1-CD2 4.35Å; L549-Y551 HydrophobicContact CD1-CE2 3.76Å; L549-Y551 HydrophobicContact CG-CE2 4.25Å; L549-Y551 PolarHBondContact O-N 3.06Å; Y551-L553 PolarHBondContact O-N 3.29Å; Y551-L553 VanDerWaalsContact O-N 3.11Å; Y551-I554 HydrophobicContact CD1-CD1 4.2Å; Y551-I554 HydrophobicContact CD1-CG1 4.35Å; Y551-I554 HydrophobicContact CE1-CD1 4.5Å; Y551-I554 WeakPolarHBondContact O-CG1 3.45Å; Y551-I554 PolarHBondContact O-N 2.9Å; Y551-L555 HydrophobicContact CD1-CD1 4.08Å; Y551-L555 HydrophobicContact CD1-CG 4.17Å; Y551-L555 HydrophobicContact CG-CD1 4.36Å; Y551-L555 WeakPolarHBondContact O-CB 3.4Å; Y551-L555 WeakPolarHBondContact O-CG 3.47Å; Y551-L555 PolarHBondContact O-N 2.93Å; Y551-I564 HydrophobicContact CD1-CD1 4.05Å; Y551-I564 HydrophobicContact CE1-CD1 3.81Å; Y551-I564 HydrophobicContact CE1-CG2 3.94Å; Y551-L583 HydrophobicContact CE2-CD1 3.87Å; Y551-L583 VanDerWaalsContact OH-CD1 3.24Å; Y551-L583 WeakPolarHBondContact OH-CD1 3.25Å; Y551-A586 HydrophobicContact CD2-CB 3.38Å; Y551-A586 HydrophobicContact CE2-CB 3.89Å; Y551-A586 HydrophobicContact CG-CB 4.04Å; Y551-F597 AromaticContact CD1-CE2 3.62Å; Y551-F597 HydrophobicContact CD1-CE2 3.62Å; Y551-F597 HydrophobicContact CD1-CZ 4.47Å; Y551-F597 AromaticContact CE1-CE2 3.51Å; Y551-F597 HydrophobicContact CE1-CE2 3.51Å; Y551-F597 HydrophobicContact CE1-CZ 4.04Å; Y551-F597 HydrophobicContact CE2-CE2 4.47Å; Y551-F597 HydrophobicContact CE2-CZ 4.48Å; Y551-F597 HydrophobicContact CG-CE2 4.17Å; Y551-F597 AromaticContact CZ-CE2 3.97Å; Y551-V628 HydrophobicContact CE1-CG2 4.36Å; Y551-V628 VanDerWaalsContact OH-CG1 3.27Å; Y551-V628 WeakPolarHBondContact OH-CG1 3.37Å |
| 552 | P | 95.8 | Very high | 92.7 | Very high | 15 Ų | 15 | 15.9 Ų | 15.9 | 10% | 0.097 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.6 | -27.1 | 179.3 | -31.7 | 42.9 | 0 | 0 | 0 | 114 | W342 Y547 P550 W589 | W342-P552 HydrophobicContact CB-CB 4.2Å; W342-P552 HydrophobicContact CD2-CB 3.69Å; W342-P552 HydrophobicContact CD2-CG 3.45Å; W342-P552 VanDerWaalsContact CD2-CG 3.45Å; W342-P552 HydrophobicContact CE3-CB 3.75Å; W342-P552 HydrophobicContact CE3-CG 3.6Å; W342-P552 HydrophobicContact CG-CB 3.86Å; W342-P552 HydrophobicContact CG-CG 3.99Å; W342-P552 HydrophobicContact CH2-CG 4Å; W342-P552 HydrophobicContact CZ2-CG 3.85Å; W342-P552 HydrophobicContact CZ3-CB 4.41Å; W342-P552 HydrophobicContact CZ3-CG 3.88Å; Y547-P552 VanDerWaalsContact OH-CD 3.27Å; Y547-P552 WeakPolarHBondContact OH-CD 3.4Å; Y547-P552 WeakPolarHBondContact OH-CG 3.2Å; P550-P552 VanDerWaalsContact C-N 3.33Å; P552-W589 HydrophobicContact CB-CH2 3.5Å; P552-W589 VanDerWaalsContact CB-CH2 3.5Å; P552-W589 HydrophobicContact CB-CZ2 3.63Å; P552-W589 HydrophobicContact CB-CZ3 4.1Å; P552-W589 HydrophobicContact CG-CD2 4.04Å; P552-W589 HydrophobicContact CG-CE3 4.01Å; P552-W589 HydrophobicContact CG-CH2 3.57Å; P552-W589 HydrophobicContact CG-CZ2 3.55Å; P552-W589 HydrophobicContact CG-CZ3 3.79Å |
| 553 | L | 97.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 15.8 Ų | 15.8 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.9 | -44 | 175.2 | -60.7 | -177.8 | 0 | 0 | 0 | 111.7 | A221 L324 T326 E344 P550 Y551 R559 | A221-L553 HydrophobicContact CB-CB 4.34Å; A221-L553 HydrophobicContact CB-CD1 4.13Å; L324-L553 HydrophobicContact CB-CB 4.41Å; L324-L553 HydrophobicContact CB-CD1 3.88Å; L324-L553 HydrophobicContact CD1-CB 4.38Å; T326-L553 HydrophobicContact CG2-CD1 3.97Å; T326-L553 HydrophobicContact CG2-CG 4.33Å; E344-L553 HydrophobicContact CB-CD2 3.36Å; P550-L553 HydrophobicContact CB-CD1 4.08Å; P550-L553 WeakPolarHBondContact O-CB 3.4Å; P550-L553 PolarHBondContact O-N 3.15Å; P550-L553 VanDerWaalsContact O-N 3.16Å; Y551-L553 PolarHBondContact O-N 3.29Å; Y551-L553 VanDerWaalsContact O-N 3.11Å; L553-R559 WeakPolarHBondContact O-CD 3.5Å; L553-R559 PolarHBondContact O-NH1 3.38Å |
| 554 | I | 96.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -98.2 | -17.2 | -169.7 | 57.2 | -179.6 | 0 | 0 | 0 | 113.4 | A187 A189 A221 L324 Y551 R556 V561 I564 | A187-I554 HydrophobicContact CB-CB 4.2Å; A187-I554 HydrophobicContact CB-CD1 4.42Å; A187-I554 HydrophobicContact CB-CG2 3.79Å; A189-I554 HydrophobicContact CB-CD1 3.94Å; A221-I554 HydrophobicContact CB-CG2 3.72Å; L324-I554 HydrophobicContact CD1-CG2 4.49Å; Y551-I554 HydrophobicContact CD1-CD1 4.2Å; Y551-I554 HydrophobicContact CD1-CG1 4.35Å; Y551-I554 HydrophobicContact CE1-CD1 4.5Å; Y551-I554 WeakPolarHBondContact O-CG1 3.45Å; Y551-I554 PolarHBondContact O-N 2.9Å; I554-R556 VanDerWaalsContact C-N 3.28Å; I554-V561 HydrophobicContact CB-CG2 4.31Å; I554-V561 VanDerWaalsContact O-CG2 3.28Å; I554-V561 WeakPolarHBondContact O-CG2 3.28Å; I554-I564 HydrophobicContact CD1-CB 4.33Å; I554-I564 HydrophobicContact CD1-CD1 3.77Å; I554-I564 HydrophobicContact CD1-CG1 3.9Å; I554-I564 HydrophobicContact CD1-CG2 3.51Å; I554-I564 HydrophobicContact CG1-CD1 4.1Å |
| 555 | L | 95.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 15 Ų | 15 | 7% | 0.073 | 9% | 0.092 | C | C | . | . | trans | -84.1 | 0.3 | 169.6 | -64 | 178.6 | 0 | 0 | 0 | 113 | Y551 P557 I564 W589 A590 L595 F597 P626 | Y551-L555 HydrophobicContact CD1-CD1 4.08Å; Y551-L555 HydrophobicContact CD1-CG 4.17Å; Y551-L555 HydrophobicContact CG-CD1 4.36Å; Y551-L555 WeakPolarHBondContact O-CB 3.4Å; Y551-L555 WeakPolarHBondContact O-CG 3.47Å; Y551-L555 PolarHBondContact O-N 2.93Å; L555-P557 VanDerWaalsContact O-CD 3.23Å; L555-P557 WeakPolarHBondContact O-CD 3.15Å; L555-P557 VanDerWaalsContact O-N 3.08Å; L555-I564 HydrophobicContact CD2-CD1 4.06Å; L555-W589 HydrophobicContact CD1-CZ3 4.11Å; L555-A590 HydrophobicContact CD1-CB 3.98Å; L555-L595 HydrophobicContact CB-CD1 4.07Å; L555-F597 HydrophobicContact CD1-CD2 3.78Å; L555-F597 HydrophobicContact CD1-CE2 4.23Å; L555-F597 HydrophobicContact CD2-CD2 4.3Å; L555-P626 HydrophobicContact CD2-CG 4.04Å | ||
| 556 | R | 92.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 14.2 Ų | 14.2 | 3% | 0.03 | 9% | 0.088 | C | C | . | . | trans | -54.3 | 114.6 | 170.5 | -178.7 | 173.7 | 178.3 | -170.8 | -3 | 109 | L143 A144 E344 E349 I554 Q558 R559 | L143-R556 PolarHBondContact O-NH2 3.03Å; A144-R556 PolarHBondContact O-NH2 2.82Å; E344-R556 WeakPolarHBondContact OE1-CD 3.37Å; E344-R556 IonicContact OE1-CZ 3.53Å; E344-R556 IonicContact OE1-NE 3.42Å; E344-R556 IonicContact OE1-NH1 2.8Å; E344-R556 PolarHBondContact OE1-NH1 3.06Å; E344-R556 IonicContact OE2-NH1 3.66Å; E349-R556 IonicContact OE1-NH1 2.63Å; I554-R556 VanDerWaalsContact C-N 3.28Å; R556-Q558 PolarHBondContact O-N 3.08Å; R556-R559 HydrophobicContact CB-CG 4.3Å; R556-R559 WeakPolarHBondContact O-CB 3.35Å; R556-R559 PolarHBondContact O-N 3.13Å | ||
| 557 | P | 87.1 | Confident | 95.3 | Very high | 82 Ų | 82 | 13.1 Ų | 13.1 | 53% | 0.532 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -32.1 | -168.3 | -29.9 | 35.9 | 0 | 0 | 0 | 114.2 | L555 R559 G560 L595 | L555-P557 VanDerWaalsContact O-CD 3.23Å; L555-P557 WeakPolarHBondContact O-CD 3.15Å; L555-P557 VanDerWaalsContact O-N 3.08Å; P557-R559 PolarHBondContact O-N 3.31Å; P557-G560 PolarHBondContact O-N 2.87Å; P557-L595 HydrophobicContact CG-CD2 3.63Å |
| 558 | Q | 90.5 | Very high | 95.9 | Very high | 53 Ų | 53 | 13.4 Ų | 13.4 | 25% | 0.248 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -16.8 | -178.6 | -57.6 | 79.6 | 24.2 | 0 | 0 | 113.2 | L143 L145 R153 R556 | L143-Q558 VanDerWaalsContact O-CG 3.3Å; L143-Q558 WeakPolarHBondContact O-CG 3.03Å; L143-Q558 PolarHBondContact O-OE1 3.41Å; L145-Q558 WeakPolarHBondContact CD1-O 3.23Å; L145-Q558 HydrophobicContact CD2-CB 3.86Å; L145-Q558 HydrophobicContact CG-CB 3.91Å; R153-Q558 PolarHBondContact NH1-O 3.47Å; R556-Q558 PolarHBondContact O-N 3.08Å |
| 559 | R | 95.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -32.5 | 172.5 | -65.9 | -167.4 | 168.4 | 114.4 | 6.5 | 112.3 | L145 E149 R153 Y219 E344 L553 R556 P557 V561 | L145-R559 HydrophobicContact CD2-CG 3.96Å; E149-R559 IonicContact OE1-CZ 3.94Å; E149-R559 IonicContact OE1-NE 2.74Å; E149-R559 PolarHBondContact OE1-NE 3.47Å; E149-R559 IonicContact OE1-NH2 2.67Å; E149-R559 IonicContact OE2-CZ 3.61Å; E149-R559 IonicContact OE2-NE 3.65Å; E149-R559 IonicContact OE2-NH2 3.86Å; E149-R559 PolarHBondContact OE2-NH2 3.02Å; E149-R559 VanDerWaalsContact OE2-NH2 3.13Å; R153-R559 PolarHBondContact NH2-O 2.98Å; Y219-R559 HydrophobicContact CE2-CB 4.04Å; Y219-R559 HydrophobicContact CE2-CG 4.27Å; E344-R559 IonicContact OE2-CZ 3.61Å; E344-R559 IonicContact OE2-NH1 2.8Å; E344-R559 PolarHBondContact OE2-NH1 2.92Å; E344-R559 IonicContact OE2-NH2 2.7Å; E344-R559 PolarHBondContact OE2-NH2 3.12Å; L553-R559 WeakPolarHBondContact O-CD 3.5Å; L553-R559 PolarHBondContact O-NH1 3.38Å; R556-R559 HydrophobicContact CB-CG 4.3Å; R556-R559 WeakPolarHBondContact O-CB 3.35Å; R556-R559 PolarHBondContact O-N 3.13Å; P557-R559 PolarHBondContact O-N 3.31Å; R559-V561 HydrophobicContact CB-CG2 4.15Å; R559-V561 PolarHBondContact O-N 2.98Å |
| 560 | G | 92.5 | Very high | 96 | Very high | 37 Ų | 37 | 13 Ų | 13 | 38% | 0.381 | 8% | 0.083 | S | C | . | . | trans | 54.4 | 50.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P557 | P557-G560 PolarHBondContact O-N 2.87Š| ||
| 561 | V | 96.6 | Very high | 95.6 | Very high | 12 Ų | 12 | 14.4 Ų | 14.4 | 7% | 0.073 | 9% | 0.094 | C | C | . | . | trans | -70.7 | 131.3 | 178.7 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | V185 A187 Y219 I554 R559 L563 I564 | V185-V561 HydrophobicContact CG1-CB 4.44Å; V185-V561 HydrophobicContact CG1-CG2 4.03Å; A187-V561 HydrophobicContact CB-CG1 3.73Å; A187-V561 HydrophobicContact CB-CG2 4.24Å; Y219-V561 HydrophobicContact CD2-CG2 4.24Å; Y219-V561 HydrophobicContact CE2-CG2 4.4Å; I554-V561 HydrophobicContact CB-CG2 4.31Å; I554-V561 VanDerWaalsContact O-CG2 3.28Å; I554-V561 WeakPolarHBondContact O-CG2 3.28Å; R559-V561 HydrophobicContact CB-CG2 4.15Å; R559-V561 PolarHBondContact O-N 2.98Å; V561-L563 WeakPolarHBondContact CG1-O 3.06Å; V561-I564 HydrophobicContact CG1-CG1 3.7Å | ||
| 562 | D | 96.4 | Very high | 95.4 | Very high | 26 Ų | 26 | 15.7 Ų | 15.7 | 14% | 0.139 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -98.4 | -32.3 | 177.3 | -39 | -93.9 | 0 | 0 | 0 | 112.6 | P184 V185 P626 T627 R710 | P184-D562 WeakPolarHBondContact CA-OD2 3.45Å; P184-D562 HydrophobicContact CB-CB 4.49Å; V185-D562 PolarHBondContact N-OD2 2.94Å; V185-D562 PolarHBondContact O-N 2.85Å; D562-P626 CarbonylContact O-C 3.46Å; D562-P626 VanDerWaalsContact O-CA 3.24Å; D562-P626 WeakPolarHBondContact O-CA 3.37Å; D562-T627 PolarHBondContact O-N 3.22Å; D562-R710 VanDerWaalsContact CG-CZ 3.45Å; D562-R710 VanDerWaalsContact CG-NE 3.31Å; D562-R710 IonicContact OD1-CZ 3.29Å; D562-R710 IonicContact OD1-NE 2.74Å; D562-R710 PolarHBondContact OD1-NE 3.02Å; D562-R710 IonicContact OD1-NH2 3.9Å; D562-R710 PolarHBondContact OD1-NH2 3.41Å; D562-R710 IonicContact OD2-CZ 3.3Å; D562-R710 IonicContact OD2-NE 2.64Å; D562-R710 PolarHBondContact OD2-NE 2.83Å; D562-R710 IonicContact OD2-NH1 2.71Å; D562-R710 IonicContact OD2-NH2 2.65Å; D562-R710 PolarHBondContact OD2-NH2 3.32Å |
| 563 | L | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 123.4 | -177.3 | 179 | 60.8 | 0 | 0 | 0 | 109.8 | V185 I186 A187 V561 I565 T627 I629 A702 I703 | V185-L563 PolarHBondContact O-N 3.19Å; I186-L563 WeakPolarHBondContact CA-O 3.05Å; I186-L563 HydrophobicContact CD1-CD2 4.4Å; I186-L563 HydrophobicContact CG1-CB 4.22Å; I186-L563 HydrophobicContact CG1-CD2 4.28Å; I186-L563 HydrophobicContact CG2-CB 4.46Å; I186-L563 HydrophobicContact CG2-CD2 4.24Å; I186-L563 HydrophobicContact CG2-CG 4.35Å; A187-L563 PolarHBondContact N-O 3.42Å; V561-L563 WeakPolarHBondContact CG1-O 3.06Å; L563-I565 HydrophobicContact CD2-CG1 4.42Å; L563-I565 HydrophobicContact CG-CG1 4.22Å; L563-T627 WeakPolarHBondContact CA-O 3.37Å; L563-T627 HydrophobicContact CD1-CG2 4.06Å; L563-I629 HydrophobicContact CD1-CD1 4.16Å; L563-I629 HydrophobicContact CD1-CG1 4.04Å; L563-A702 HydrophobicContact CD1-CB 3.84Å; L563-A702 HydrophobicContact CD2-CB 4.09Å; L563-I703 HydrophobicContact CD2-CG1 3.65Å |
| 564 | I | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121 | 174.2 | -60.1 | 173.1 | 0 | 0 | 0 | 107.9 | A187 A189 Y551 I554 L555 V561 P626 T627 V628 I629 | A187-I564 WeakPolarHBondContact O-CA 3.17Å; A189-I564 HydrophobicContact CB-CG2 4.45Å; Y551-I564 HydrophobicContact CD1-CD1 4.05Å; Y551-I564 HydrophobicContact CE1-CD1 3.81Å; Y551-I564 HydrophobicContact CE1-CG2 3.94Å; I554-I564 HydrophobicContact CD1-CB 4.33Å; I554-I564 HydrophobicContact CD1-CD1 3.77Å; I554-I564 HydrophobicContact CD1-CG1 3.9Å; I554-I564 HydrophobicContact CD1-CG2 3.51Å; I554-I564 HydrophobicContact CG1-CD1 4.1Å; L555-I564 HydrophobicContact CD2-CD1 4.06Å; V561-I564 HydrophobicContact CG1-CG1 3.7Å; I564-P626 HydrophobicContact CD1-CB 3.98Å; I564-P626 HydrophobicContact CD1-CG 3.82Å; I564-P626 HydrophobicContact CG1-CB 4.16Å; I564-T627 PolarHBondContact N-O 2.88Å; I564-V628 HydrophobicContact CB-CG2 4.23Å; I564-V628 HydrophobicContact CD1-CG2 4.38Å; I564-V628 CarbonylContact O-C 3.52Å; I564-V628 WeakPolarHBondContact O-CA 3.32Å; I564-I629 PolarHBondContact O-N 3.27Å |
| 565 | I | 98.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 94.8 | 171.5 | -47.6 | 177.4 | 0 | 0 | 0 | 106.8 | I186 A187 I188 A189 V213 L563 F567 I629 F631 I699 | I186-I565 HydrophobicContact CG2-CD1 4Å; I186-I565 HydrophobicContact CG2-CG1 4.31Å; A187-I565 PolarHBondContact O-N 3.31Å; I188-I565 CarbonylContact C-O 3.49Å; I188-I565 WeakPolarHBondContact CA-O 3.48Å; A189-I565 PolarHBondContact N-O 3.06Å; V213-I565 HydrophobicContact CG1-CD1 4.2Å; L563-I565 HydrophobicContact CD2-CG1 4.42Å; L563-I565 HydrophobicContact CG-CG1 4.22Å; I565-F567 HydrophobicContact CB-CE2 4.3Å; I565-F567 HydrophobicContact CG2-CE2 3.54Å; I565-F567 HydrophobicContact CG2-CZ 3.68Å; I565-I629 HydrophobicContact CG1-CD1 4.4Å; I565-F631 HydrophobicContact CG2-CD2 4.07Å; I565-F631 HydrophobicContact CG2-CE2 3.89Å; I565-I699 HydrophobicContact CD1-CG1 4.37Å; I565-I699 HydrophobicContact CD1-CG2 3.76Å |
| 566 | S | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 138.3 | -176 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | A189 I629 F631 | A189-S566 CarbonylContact O-C 3.49Å; A189-S566 WeakPolarHBondContact O-CA 3.49Å; S566-I629 PolarHBondContact N-O 3.01Å; S566-F631 WeakPolarHBondContact O-CB 3.16Å; S566-F631 PolarHBondContact O-N 3.09Å |
| 567 | F | 98.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 115 | 176.1 | -63.8 | -90.6 | 0 | 0 | 0 | 109.5 | I188 A189 S191 F201 V204 L208 I565 F569 F631 M688 T692 | I188-F567 HydrophobicContact CG2-CD2 4.16Å; I188-F567 HydrophobicContact CG2-CE2 3.99Å; A189-F567 PolarHBondContact O-N 3.39Å; S191-F567 PolarHBondContact N-O 3.34Å; F201-F567 HydrophobicContact CE2-CD2 4.33Å; V204-F567 HydrophobicContact CB-CD1 4.2Å; V204-F567 HydrophobicContact CB-CE1 4.22Å; V204-F567 HydrophobicContact CG1-CD1 3.67Å; V204-F567 HydrophobicContact CG1-CD2 3.78Å; V204-F567 HydrophobicContact CG1-CE1 3.42Å; V204-F567 VanDerWaalsContact CG1-CE1 3.42Å; V204-F567 HydrophobicContact CG1-CE2 3.54Å; V204-F567 HydrophobicContact CG1-CG 3.84Å; V204-F567 HydrophobicContact CG1-CZ 3.36Å; V204-F567 HydrophobicContact CG2-CB 4.5Å; V204-F567 HydrophobicContact CG2-CD1 3.41Å; V204-F567 VanDerWaalsContact CG2-CD1 3.41Å; V204-F567 HydrophobicContact CG2-CE1 3.72Å; V204-F567 HydrophobicContact CG2-CG 3.98Å; L208-F567 HydrophobicContact CD1-CE2 4.04Å; L208-F567 HydrophobicContact CD1-CZ 4.12Å; L208-F567 HydrophobicContact CD2-CZ 4.44Å; I565-F567 HydrophobicContact CB-CE2 4.3Å; I565-F567 HydrophobicContact CG2-CE2 3.54Å; I565-F567 HydrophobicContact CG2-CZ 3.68Å; F567-F569 HydrophobicContact CB-CE2 3.98Å; F567-F569 HydrophobicContact CB-CZ 3.79Å; F567-F631 HydrophobicContact CD1-CB 3.47Å; F567-F631 VanDerWaalsContact CD1-CB 3.47Å; F567-F631 HydrophobicContact CD1-CD1 4.39Å; F567-F631 HydrophobicContact CD1-CD2 4.08Å; F567-F631 AromaticContact CD1-CG 3.74Å; F567-F631 HydrophobicContact CD1-CG 3.74Å; F567-F631 HydrophobicContact CE1-CB 3.82Å; F567-F631 AromaticContact CE1-CD1 3.96Å; F567-F631 HydrophobicContact CE1-CD1 3.96Å; F567-F631 AromaticContact CE1-CD2 3.59Å; F567-F631 HydrophobicContact CE1-CD2 3.59Å; F567-F631 HydrophobicContact CE1-CE1 4.43Å; F567-F631 HydrophobicContact CE1-CE2 4.11Å; F567-F631 AromaticContact CE1-CG 3.51Å; F567-F631 HydrophobicContact CE1-CG 3.51Å; F567-F631 HydrophobicContact CG-CB 4.19Å; F567-F631 AromaticContact CZ-CD2 3.89Å; F567-F631 HydrophobicContact CZ-CD2 3.89Å; F567-F631 HydrophobicContact CZ-CE2 4.16Å; F567-F631 HydrophobicContact CZ-CG 4.28Å; F567-M688 HydrophobicContact CD1-CE 4.31Å; F567-T692 HydrophobicContact CE1-CG2 4.25Å; F567-T692 HydrophobicContact CZ-CG2 4.26Å |
| 568 | D | 98.6 | Very high | 94.9 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 5% | 0.048 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.3 | -175.7 | -162.2 | -13.9 | 0 | 0 | 0 | 112.2 | L549 S570 H630 F631 L633 | L549-D568 HydrophobicContact CD2-CB 4.26Å; D568-S570 WeakPolarHBondContact OD1-CB 3.37Å; D568-S570 PolarHBondContact OD1-N 3.04Å; D568-S570 PolarHBondContact OD1-OG 3.22Å; D568-H630 IonicContact OD2-CE1 3.22Å; D568-H630 IonicContact OD2-NE2 3.21Å; D568-F631 PolarHBondContact N-O 3.27Å; D568-L633 WeakPolarHBondContact O-CB 3.31Å; D568-L633 PolarHBondContact O-N 3.11Å |
| 569 | F | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -110.2 | 14 | 177.7 | -46.9 | -71.5 | 0 | 0 | 0 | 112.3 | S191 R196 A197 F201 V204 F567 L633 M688 | S191-F569 WeakPolarHBondContact OG-CA 3.08Å; S191-F569 WeakPolarHBondContact OG-CB 3.04Å; S191-F569 VanDerWaalsContact OG-CD2 3.31Å; S191-F569 WeakPolarHBondContact OG-CD2 3.47Å; S191-F569 PolarHBondContact OG-N 2.58Å; R196-F569 PolarHBondContact NE-O 3.13Å; R196-F569 PolarHBondContact NH2-O 3.36Å; A197-F569 HydrophobicContact CB-CB 3.83Å; A197-F569 HydrophobicContact CB-CD2 3.8Å; A197-F569 HydrophobicContact CB-CG 4.06Å; F201-F569 HydrophobicContact CB-CE2 3.72Å; F201-F569 HydrophobicContact CB-CZ 3.83Å; F201-F569 AromaticContact CD2-CE2 3.87Å; F201-F569 HydrophobicContact CD2-CE2 3.87Å; F201-F569 AromaticContact CD2-CZ 3.99Å; F201-F569 HydrophobicContact CD2-CZ 3.99Å; F201-F569 HydrophobicContact CG-CE2 4.17Å; F201-F569 HydrophobicContact CG-CZ 4.41Å; V204-F569 HydrophobicContact CG2-CE1 4.44Å; V204-F569 HydrophobicContact CG2-CZ 4.04Å; F567-F569 HydrophobicContact CB-CE2 3.98Å; F567-F569 HydrophobicContact CB-CZ 3.79Å; F569-L633 HydrophobicContact CD1-CB 4.47Å; F569-M688 HydrophobicContact CE1-CE 3.9Å; F569-M688 HydrophobicContact CE1-CG 4.04Å; F569-M688 HydrophobicContact CE1-SD 4.26Å | ||
| 570 | S | 93.1 | Very high | 95 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | trans | -57.5 | 142.5 | 178.2 | -55.6 | 0 | 0 | 0 | 0 | 111 | N548 D568 E582 F662 | N548-S570 WeakPolarHBondContact CB-OG 3.17Å; N548-S570 PolarHBondContact ND2-OG 3.34Å; D568-S570 WeakPolarHBondContact OD1-CB 3.37Å; D568-S570 PolarHBondContact OD1-N 3.04Å; D568-S570 PolarHBondContact OD1-OG 3.22Å; S570-E582 WeakPolarHBondContact OG-CG 3.17Å; S570-F662 WeakPolarHBondContact O-CZ 3.28Å | ||
| 571 | A | 90.7 | Very high | 95 | Very high | 29 Ų | 29 | 28 Ų | 28 | 24% | 0.24 | 17% | 0.169 | C | C | . | . | trans | -66.1 | 146.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | E413 F662 | E413-A571 HydrophobicContact CG-CB 3.92Å; E413-A571 VanDerWaalsContact OE1-CB 3.27Å; E413-A571 WeakPolarHBondContact OE1-CB 3.27Å; A571-F662 HydrophobicContact CB-CE1 4.2Å | ||
| 572 | R | 92.3 | Very high | 94.8 | Very high | 26 Ų | 26 | 28.5 Ų | 28.5 | 10% | 0.098 | 17% | 0.171 | C | C | . | . | trans | -126.4 | 154.5 | 175.4 | -62.1 | -176.1 | -64 | 157.8 | 3 | 108.6 | S574 D575 S577 L610 L633 F662 | R572-S574 PolarHBondContact O-N 3.34Å; R572-S574 VanDerWaalsContact O-N 3.13Å; R572-D575 PolarHBondContact NH1-O 2.8Å; R572-D575 PolarHBondContact NH2-O 3.18Å; R572-S577 PolarHBondContact NH1-O 2.94Å; R572-L610 VanDerWaalsContact NH1-CD1 3.33Å; R572-L633 PolarHBondContact NH2-O 2.89Å; R572-F662 HydrophobicContact CB-CD2 4.08Å; R572-F662 HydrophobicContact CB-CE2 4.16Å; R572-F662 HydrophobicContact CG-CE2 4.29Å | ||
| 573 | P | 89.7 | Confident | 94.8 | Very high | 125 Ų | 125 | 27.3 Ų | 27.3 | 81% | 0.812 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -57.1 | -27.4 | 176.7 | -26 | 34.7 | 0 | 0 | 0 | 113.9 | ||
| 574 | S | 93.3 | Very high | 94.5 | Very high | 29 Ų | 29 | 30.7 Ų | 30.7 | 20% | 0.203 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -159.4 | 159.3 | 179.3 | 159.7 | 0 | 0 | 0 | 0 | 110.1 | R572 S576 S577 D663 | R572-S574 PolarHBondContact O-N 3.34Å; R572-S574 VanDerWaalsContact O-N 3.13Å; S574-S576 PolarHBondContact O-N 3.11Å; S574-S576 PolarHBondContact OG-N 3.35Å; S574-S577 PolarHBondContact N-OG 3.25Å; S574-S577 VanDerWaalsContact N-OG 3.09Å; S574-S577 VanDerWaalsContact O-CB 3.27Å; S574-S577 WeakPolarHBondContact O-CB 3.45Å; S574-S577 PolarHBondContact O-N 3.46Å; S574-S577 PolarHBondContact O-OG 2.99Å; S574-D663 WeakPolarHBondContact CA-OD1 3.34Å; S574-D663 WeakPolarHBondContact CB-OD1 3.38Å; S574-D663 PolarHBondContact OG-OD1 3.01Å; S574-D663 PolarHBondContact OG-OD2 3.24Å |
| 575 | D | 92.9 | Very high | 94.1 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -29.6 | 173.4 | -78.9 | 22.7 | 0 | 0 | 0 | 112.1 | R572 L610 I661 F662 D663 | R572-D575 PolarHBondContact NH1-O 2.8Å; R572-D575 PolarHBondContact NH2-O 3.18Å; D575-L610 VanDerWaalsContact O-CD2 3.25Å; D575-L610 WeakPolarHBondContact O-CD2 3.2Å; D575-I661 PolarHBondContact OD1-N 3.33Å; D575-I661 VanDerWaalsContact OD2-CD1 3.31Å; D575-I661 WeakPolarHBondContact OD2-CD1 3.48Å; D575-I661 PolarHBondContact OD2-N 2.81Å; D575-F662 WeakPolarHBondContact OD1-CA 3.34Å; D575-F662 VanDerWaalsContact OD1-CB 3.29Å; D575-F662 WeakPolarHBondContact OD1-CB 3.25Å; D575-F662 VanDerWaalsContact OD1-CD2 3.26Å; D575-F662 WeakPolarHBondContact OD1-CD2 3.45Å; D575-F662 PolarHBondContact OD1-N 3.29Å; D575-D663 PolarHBondContact N-OD1 3.31Å; D575-D663 PolarHBondContact OD1-N 2.82Å |
| 576 | S | 92.8 | Very high | 93.8 | Very high | 81 Ų | 81 | 33.2 Ų | 33.2 | 57% | 0.566 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -3.1 | 179.1 | -61.4 | 0 | 0 | 0 | 0 | 114.1 | S574 F605 | S574-S576 PolarHBondContact O-N 3.11Å; S574-S576 PolarHBondContact OG-N 3.35Å; S576-F605 WeakPolarHBondContact O-CZ 3.35Å |
| 577 | S | 92.9 | Very high | 93.5 | Very high | 23 Ų | 23 | 35.2 Ų | 35.2 | 16% | 0.161 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -72.8 | 145.9 | -177.7 | -64.5 | 0 | 0 | 0 | 0 | 112.5 | R572 S574 P579 | R572-S577 PolarHBondContact NH1-O 2.94Å; S574-S577 PolarHBondContact N-OG 3.25Å; S574-S577 VanDerWaalsContact N-OG 3.09Å; S574-S577 VanDerWaalsContact O-CB 3.27Å; S574-S577 WeakPolarHBondContact O-CB 3.45Å; S574-S577 PolarHBondContact O-N 3.46Å; S574-S577 PolarHBondContact O-OG 2.99Å; S577-P579 WeakPolarHBondContact O-CD 3.5Å |
| 578 | P | 93.3 | Very high | 93 | Very high | 75 Ų | 75 | 38.1 Ų | 38.1 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | trans | -57.2 | 124.7 | 175.9 | -21.5 | 30.1 | 0 | 0 | 0 | 112.2 | F580 F605 | P578-F580 VanDerWaalsContact C-N 3.29Å; P578-F580 HydrophobicContact CB-CD2 4.49Å; P578-F580 PolarHBondContact O-N 2.97Å; P578-F605 HydrophobicContact CB-CB 4.38Å; P578-F605 HydrophobicContact CB-CD1 4.03Å; P578-F605 HydrophobicContact CB-CD2 4.06Å; P578-F605 HydrophobicContact CB-CE1 4.31Å; P578-F605 HydrophobicContact CB-CE2 4.35Å; P578-F605 HydrophobicContact CB-CG 3.88Å; P578-F605 HydrophobicContact CB-CZ 4.46Å; P578-F605 HydrophobicContact CG-CD1 3.67Å; P578-F605 HydrophobicContact CG-CE1 3.74Å; P578-F605 HydrophobicContact CG-CG 4.07Å; P578-F605 HydrophobicContact CG-CZ 4.2Å | ||
| 579 | P | 94.1 | Very high | 92.5 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 33.6 | -172.3 | 37 | -37.8 | 0 | 0 | 0 | 113.9 | S577 L610 Y614 H630 V632 | S577-P579 WeakPolarHBondContact O-CD 3.5Å; P579-L610 HydrophobicContact CG-CD1 4.32Å; P579-Y614 HydrophobicContact CG-CE2 4.14Å; P579-H630 PolarHBondContact O-NE2 3.3Å; P579-V632 HydrophobicContact CB-CB 3.9Å; P579-V632 HydrophobicContact CB-CG1 3.61Å; P579-V632 HydrophobicContact CB-CG2 4.4Å; P579-V632 HydrophobicContact CG-CB 4.14Å; P579-V632 HydrophobicContact CG-CG1 3.71Å; P579-V632 HydrophobicContact CG-CG2 4.17Å |
| 580 | F | 94.6 | Very high | 92 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 5% | 0.053 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -0.6 | -170.2 | -57.9 | -59.8 | 0 | 0 | 0 | 115.2 | P578 E582 L583 L584 V604 F605 Y614 F616 | P578-F580 VanDerWaalsContact C-N 3.29Å; P578-F580 HydrophobicContact CB-CD2 4.49Å; P578-F580 PolarHBondContact O-N 2.97Å; F580-E582 PolarHBondContact O-N 3.46Å; F580-L583 HydrophobicContact CD1-CD2 4.14Å; F580-L583 PolarHBondContact O-N 3.27Å; F580-L584 HydrophobicContact CB-CD1 4.2Å; F580-L584 HydrophobicContact CB-CG 4.34Å; F580-L584 WeakPolarHBondContact O-CB 3.38Å; F580-L584 VanDerWaalsContact O-CG 3.28Å; F580-L584 WeakPolarHBondContact O-CG 3.47Å; F580-L584 PolarHBondContact O-N 2.97Å; F580-V604 HydrophobicContact CD2-CG1 4.01Å; F580-V604 HydrophobicContact CE1-CG1 4.33Å; F580-V604 HydrophobicContact CE2-CG1 3.47Å; F580-V604 VanDerWaalsContact CE2-CG1 3.47Å; F580-V604 HydrophobicContact CZ-CG1 3.65Å; F580-F605 HydrophobicContact CD2-CB 4.28Å; F580-F605 HydrophobicContact CE2-CB 3.83Å; F580-F605 HydrophobicContact CE2-CD2 4.01Å; F580-F605 HydrophobicContact CE2-CG 4.38Å; F580-Y614 HydrophobicContact CE1-CD1 4.48Å; F580-Y614 AromaticContact CE1-CD2 3.73Å; F580-Y614 HydrophobicContact CE1-CD2 3.73Å; F580-Y614 AromaticContact CE1-CE2 3.92Å; F580-Y614 HydrophobicContact CE1-CE2 3.92Å; F580-Y614 HydrophobicContact CE1-CG 4.02Å; F580-Y614 AromaticContact CZ-CD1 3.9Å; F580-Y614 HydrophobicContact CZ-CD1 3.9Å; F580-Y614 AromaticContact CZ-CD2 3.75Å; F580-Y614 HydrophobicContact CZ-CD2 3.75Å; F580-Y614 AromaticContact CZ-CE1 3.75Å; F580-Y614 HydrophobicContact CZ-CE1 3.75Å; F580-Y614 AromaticContact CZ-CE2 3.61Å; F580-Y614 HydrophobicContact CZ-CE2 3.61Å; F580-Y614 AromaticContact CZ-CG 3.89Å; F580-Y614 HydrophobicContact CZ-CG 3.89Å; F580-Y614 AromaticContact CZ-CZ 3.59Å; F580-F616 HydrophobicContact CD1-CZ 4.35Å; F580-F616 HydrophobicContact CE1-CE2 4.35Å; F580-F616 AromaticContact CE1-CZ 3.88Å; F580-F616 HydrophobicContact CE1-CZ 3.88Å |
| 581 | K | 91.8 | Very high | 91.6 | Very high | 105 Ų | 105 | 46.2 Ų | 46.2 | 46% | 0.457 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -50.3 | -55.9 | -177.6 | -179.1 | -175.5 | 177 | -177 | 0 | 111.8 | E417 L583 L584 L585 | E417-K581 IonicContact OE1-NZ 2.8Å; E417-K581 PolarHBondContact OE1-NZ 3.49Å; K581-L583 VanDerWaalsContact C-N 3.35Å; K581-L583 PolarHBondContact O-N 3.4Å; K581-L584 PolarHBondContact O-N 3.47Å; K581-L585 HydrophobicContact CG-CD1 4.46Å; K581-L585 WeakPolarHBondContact O-CG 3.42Å; K581-L585 PolarHBondContact O-N 3.07Å |
| 582 | E | 93 | Very high | 91.1 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 11% | 0.112 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.2 | -31.5 | -176 | -54.5 | -54.8 | 136.3 | 0 | 0 | 112.6 | Y547 N548 L549 S570 F580 L585 A586 | Y547-E582 VanDerWaalsContact CA-OE2 3.24Å; Y547-E582 WeakPolarHBondContact CA-OE2 3.05Å; Y547-E582 VanDerWaalsContact CB-OE2 3.32Å; Y547-E582 WeakPolarHBondContact CB-OE2 3.25Å; N548-E582 HydrophobicContact CB-CB 4.41Å; N548-E582 HydrophobicContact CB-CG 3.85Å; N548-E582 PolarHBondContact N-OE2 2.76Å; L549-E582 HydrophobicContact CD1-CB 3.81Å; L549-E582 HydrophobicContact CG-CB 4.04Å; S570-E582 WeakPolarHBondContact OG-CG 3.17Å; F580-E582 PolarHBondContact O-N 3.46Å; E582-L585 PolarHBondContact O-N 3.02Å; E582-A586 PolarHBondContact O-N 2.91Å |
| 583 | L | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.6 | -41 | 175.9 | -169.9 | 67.1 | 0 | 0 | 0 | 111.8 | L549 Y551 F580 K581 A586 E587 F597 I600 F616 H630 | L549-L583 HydrophobicContact CD1-CB 4.26Å; L549-L583 HydrophobicContact CD1-CD1 4.27Å; Y551-L583 HydrophobicContact CE2-CD1 3.87Å; Y551-L583 VanDerWaalsContact OH-CD1 3.24Å; Y551-L583 WeakPolarHBondContact OH-CD1 3.25Å; F580-L583 HydrophobicContact CD1-CD2 4.14Å; F580-L583 PolarHBondContact O-N 3.27Å; K581-L583 VanDerWaalsContact C-N 3.35Å; K581-L583 PolarHBondContact O-N 3.4Å; L583-A586 WeakPolarHBondContact O-CB 3.39Å; L583-A586 PolarHBondContact O-N 3.3Å; L583-E587 PolarHBondContact O-N 3.01Å; L583-F597 HydrophobicContact CD1-CZ 4.02Å; L583-I600 HydrophobicContact CD2-CD1 3.74Å; L583-I600 HydrophobicContact CD2-CG1 4.23Å; L583-I600 HydrophobicContact CD2-CG2 4.45Å; L583-I600 HydrophobicContact CG-CD1 4.07Å; L583-I600 HydrophobicContact CG-CG1 4.22Å; L583-F616 HydrophobicContact CD2-CD2 4.06Å; L583-F616 HydrophobicContact CD2-CE2 3.54Å; L583-F616 HydrophobicContact CD2-CZ 4.04Å; L583-H630 HydrophobicContact CD2-CB 4.29Å |
| 584 | L | 93.4 | Very high | 90.3 | Very high | 72 Ų | 72 | 48.6 Ų | 48.6 | 38% | 0.377 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67 | -36.6 | 175.1 | -69.8 | 168 | 0 | 0 | 0 | 111.5 | F580 K581 E587 K588 I600 | F580-L584 HydrophobicContact CB-CD1 4.2Å; F580-L584 HydrophobicContact CB-CG 4.34Å; F580-L584 WeakPolarHBondContact O-CB 3.38Å; F580-L584 VanDerWaalsContact O-CG 3.28Å; F580-L584 WeakPolarHBondContact O-CG 3.47Å; F580-L584 PolarHBondContact O-N 2.97Å; K581-L584 PolarHBondContact O-N 3.47Å; L584-E587 PolarHBondContact O-N 3.31Å; L584-K588 WeakPolarHBondContact O-CB 3.22Å; L584-K588 PolarHBondContact O-N 3.31Å; L584-I600 HydrophobicContact CD2-CB 3.89Å; L584-I600 HydrophobicContact CD2-CG2 3.79Å |
| 585 | L | 90.8 | Very high | 89.9 | Confident | 53 Ų | 53 | 48.7 Ų | 48.7 | 28% | 0.277 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64 | -40.4 | 171.7 | -70 | 174.1 | 0 | 0 | 0 | 111.7 | Y547 K581 E582 K588 W589 | Y547-L585 HydrophobicContact CD1-CB 4.26Å; Y547-L585 HydrophobicContact CG-CB 4.04Å; K581-L585 HydrophobicContact CG-CD1 4.46Å; K581-L585 WeakPolarHBondContact O-CG 3.42Å; K581-L585 PolarHBondContact O-N 3.07Å; E582-L585 PolarHBondContact O-N 3.02Å; L585-K588 PolarHBondContact O-N 3.03Å; L585-W589 WeakPolarHBondContact O-CB 3.28Å; L585-W589 PolarHBondContact O-N 3.08Å |
| 586 | A | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y547 Y551 E582 L583 W589 A590 | Y547-A586 HydrophobicContact CD2-CB 4.11Å; Y547-A586 HydrophobicContact CE2-CB 3.76Å; Y551-A586 HydrophobicContact CD2-CB 3.38Å; Y551-A586 HydrophobicContact CE2-CB 3.89Å; Y551-A586 HydrophobicContact CG-CB 4.04Å; E582-A586 PolarHBondContact O-N 2.91Å; L583-A586 WeakPolarHBondContact O-CB 3.39Å; L583-A586 PolarHBondContact O-N 3.3Å; A586-W589 PolarHBondContact O-N 3.23Å; A586-A590 WeakPolarHBondContact O-CB 3.48Å; A586-A590 PolarHBondContact O-N 3.23Å |
| 587 | E | 93.3 | Very high | 89.8 | Confident | 41 Ų | 41 | 47.7 Ų | 47.7 | 19% | 0.192 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 172.4 | -179.9 | -178.4 | -150.3 | 0 | 0 | 111.1 | L583 L584 W589 A590 R591 F597 K599 I600 | L583-E587 PolarHBondContact O-N 3.01Å; L584-E587 PolarHBondContact O-N 3.31Å; E587-W589 VanDerWaalsContact C-N 3.35Å; E587-W589 PolarHBondContact O-N 3.01Å; E587-A590 PolarHBondContact O-N 3.03Å; E587-R591 WeakPolarHBondContact O-CB 3.13Å; E587-R591 PolarHBondContact O-N 2.78Å; E587-F597 HydrophobicContact CB-CD1 3.76Å; E587-F597 HydrophobicContact CB-CE1 3.75Å; E587-F597 HydrophobicContact CG-CD1 3.85Å; E587-F597 HydrophobicContact CG-CE1 4.28Å; E587-K599 VanDerWaalsContact OE1-CA 3.31Å; E587-K599 WeakPolarHBondContact OE1-CA 3.31Å; E587-I600 HydrophobicContact CB-CG1 4.33Å; E587-I600 PolarHBondContact OE1-N 3.05Å; E587-I600 WeakPolarHBondContact OE2-CB 3.41Å |
| 588 | K | 87.8 | Confident | 89.9 | Confident | 61 Ų | 61 | 46.6 Ų | 46.6 | 27% | 0.265 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.5 | -48.3 | 175.7 | -177.1 | -179.8 | 177.6 | -177.3 | 0 | 110.6 | M338 L584 L585 R591 M592 | M338-K588 HydrophobicContact SD-CD 4.07Å; L584-K588 WeakPolarHBondContact O-CB 3.22Å; L584-K588 PolarHBondContact O-N 3.31Å; L585-K588 PolarHBondContact O-N 3.03Å; K588-R591 PolarHBondContact O-N 3.42Å; K588-M592 HydrophobicContact CG-SD 3.99Å; K588-M592 VanDerWaalsContact O-CG 3.25Å; K588-M592 WeakPolarHBondContact O-CG 3.42Å; K588-M592 PolarHBondContact O-N 2.82Å |
| 589 | W | 87.1 | Confident | 89.9 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 8% | 0.083 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.2 | -44 | 177.1 | 178.1 | 92 | 0 | 0 | 0 | 112.3 | W342 Y547 P552 L555 L585 A586 E587 R591 M592 N593 L595 | W342-W589 AromaticContact CD1-NE1 3.97Å; W342-W589 AromaticContact NE1-NE1 3.64Å; Y547-W589 HydrophobicContact CE1-CB 3.67Å; Y547-W589 AromaticContact CE1-CD1 3.94Å; Y547-W589 AromaticContact CE1-CG 3.77Å; Y547-W589 HydrophobicContact CE1-CG 3.77Å; Y547-W589 AromaticContact CZ-CG 3.92Å; Y547-W589 VanDerWaalsContact OH-CG 3.24Å; P552-W589 HydrophobicContact CB-CH2 3.5Å; P552-W589 VanDerWaalsContact CB-CH2 3.5Å; P552-W589 HydrophobicContact CB-CZ2 3.63Å; P552-W589 HydrophobicContact CB-CZ3 4.1Å; P552-W589 HydrophobicContact CG-CD2 4.04Å; P552-W589 HydrophobicContact CG-CE3 4.01Å; P552-W589 HydrophobicContact CG-CH2 3.57Å; P552-W589 HydrophobicContact CG-CZ2 3.55Å; P552-W589 HydrophobicContact CG-CZ3 3.79Å; L555-W589 HydrophobicContact CD1-CZ3 4.11Å; L585-W589 WeakPolarHBondContact O-CB 3.28Å; L585-W589 PolarHBondContact O-N 3.08Å; A586-W589 PolarHBondContact O-N 3.23Å; E587-W589 VanDerWaalsContact C-N 3.35Å; E587-W589 PolarHBondContact O-N 3.01Å; W589-R591 PolarHBondContact O-N 2.86Å; W589-M592 PolarHBondContact O-N 2.97Å; W589-N593 VanDerWaalsContact CE2-ND2 3.25Å; W589-N593 PolarHBondContact NE1-ND2 3.42Å; W589-N593 PolarHBondContact O-N 3.07Å; W589-N593 PolarHBondContact O-ND2 2.81Å; W589-L595 HydrophobicContact CH2-CD1 3.55Å; W589-L595 HydrophobicContact CZ3-CD1 3.5Å |
| 590 | A | 87.9 | Confident | 89.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L555 A586 E587 M592 N593 K594 L595 F597 | L555-A590 HydrophobicContact CD1-CB 3.98Å; A586-A590 WeakPolarHBondContact O-CB 3.48Å; A586-A590 PolarHBondContact O-N 3.23Å; E587-A590 PolarHBondContact O-N 3.03Å; A590-M592 PolarHBondContact O-N 3.08Å; A590-N593 CarbonylContact O-C 3.48Å; A590-N593 PolarHBondContact O-N 3.22Å; A590-K594 PolarHBondContact O-N 3.35Å; A590-L595 HydrophobicContact CB-CB 4.35Å; A590-L595 PolarHBondContact O-N 2.82Å; A590-F597 HydrophobicContact CB-CB 3.73Å; A590-F597 HydrophobicContact CB-CD2 4.07Å; A590-F597 HydrophobicContact CB-CG 4.05Å |
| 591 | R | 86.1 | Confident | 89.3 | Confident | 170 Ų | 170 | 49 Ų | 49 | 64% | 0.642 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -59.5 | -46.6 | 174.7 | -177.2 | 175.6 | 62.4 | 161.3 | -0.7 | 111.7 | E587 K588 W589 N593 K594 | E587-R591 WeakPolarHBondContact O-CB 3.13Å; E587-R591 PolarHBondContact O-N 2.78Å; K588-R591 PolarHBondContact O-N 3.42Å; W589-R591 PolarHBondContact O-N 2.86Å; R591-N593 VanDerWaalsContact C-N 3.29Å; R591-N593 PolarHBondContact O-N 2.84Å; R591-K594 PolarHBondContact O-N 3.09Å; R591-K594 VanDerWaalsContact O-N 3.11Å |
| 592 | M | 80.3 | Confident | 88.7 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 15% | 0.148 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.5 | -37.9 | 177.3 | -72.3 | 168.1 | 63.3 | 0 | 0 | 112.4 | M338 F339 F524 I527 K588 W589 A590 K594 | M338-M592 HydrophobicContact CE-CE 3.73Å; M338-M592 HydrophobicContact CE-SD 3.81Å; M338-M592 HydrophobicContact SD-CE 4.38Å; M338-M592 HydrophobicContact SD-SD 3.95Å; F339-M592 HydrophobicContact CD1-CE 4.06Å; F339-M592 HydrophobicContact CE1-CE 3.6Å; F524-M592 HydrophobicContact CD1-CE 4.05Å; F524-M592 HydrophobicContact CE1-CE 4.3Å; I527-M592 HydrophobicContact CD1-CE 3.47Å; I527-M592 VanDerWaalsContact CD1-CE 3.47Å; I527-M592 HydrophobicContact CG1-CE 4.06Å; K588-M592 HydrophobicContact CG-SD 3.99Å; K588-M592 VanDerWaalsContact O-CG 3.25Å; K588-M592 WeakPolarHBondContact O-CG 3.42Å; K588-M592 PolarHBondContact O-N 2.82Å; W589-M592 PolarHBondContact O-N 2.97Å; A590-M592 PolarHBondContact O-N 3.08Å; M592-K594 VanDerWaalsContact C-N 3.31Å |
| 593 | N | 79.9 | Confident | 88.4 | Confident | 59 Ų | 59 | 53.4 Ų | 53.4 | 32% | 0.316 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 6.2 | 178.8 | -71.1 | -87.1 | 0 | 0 | 0 | 113.5 | W589 A590 R591 L595 | W589-N593 VanDerWaalsContact CE2-ND2 3.25Å; W589-N593 PolarHBondContact NE1-ND2 3.42Å; W589-N593 PolarHBondContact O-N 3.07Å; W589-N593 PolarHBondContact O-ND2 2.81Å; A590-N593 CarbonylContact O-C 3.48Å; A590-N593 PolarHBondContact O-N 3.22Å; R591-N593 VanDerWaalsContact C-N 3.29Å; R591-N593 PolarHBondContact O-N 2.84Å; N593-L595 HydrophobicContact CB-CD1 4.07Å; N593-L595 HydrophobicContact CB-CG 4.14Å; N593-L595 PolarHBondContact O-N 2.96Å |
| 594 | K | 83.5 | Confident | 88.2 | Confident | 141 Ų | 141 | 53.7 Ų | 53.7 | 61% | 0.613 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 37 | -179.5 | -51.8 | -177.7 | 179.1 | -170 | 0 | 113.4 | A590 R591 M592 | A590-K594 PolarHBondContact O-N 3.35Å; R591-K594 PolarHBondContact O-N 3.09Å; R591-K594 VanDerWaalsContact O-N 3.11Å; M592-K594 VanDerWaalsContact C-N 3.31Å |
| 595 | L | 86.3 | Confident | 88 | Confident | 32 Ų | 32 | 52.2 Ų | 52.2 | 17% | 0.168 | 25% | 0.247 | C | C | . | . | trans | -98.3 | 138.9 | 177.6 | -64.7 | 174 | 0 | 0 | 0 | 110.3 | L555 P557 W589 A590 N593 F597 | L555-L595 HydrophobicContact CB-CD1 4.07Å; P557-L595 HydrophobicContact CG-CD2 3.63Å; W589-L595 HydrophobicContact CH2-CD1 3.55Å; W589-L595 HydrophobicContact CZ3-CD1 3.5Å; A590-L595 HydrophobicContact CB-CB 4.35Å; A590-L595 PolarHBondContact O-N 2.82Å; N593-L595 HydrophobicContact CB-CD1 4.07Å; N593-L595 HydrophobicContact CB-CG 4.14Å; N593-L595 PolarHBondContact O-N 2.96Å; L595-F597 PolarHBondContact O-N 3.18Å | ||
| 596 | P | 89.1 | Confident | 87.9 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 34% | 0.344 | 27% | 0.267 | S | S | . | . | trans | -60.1 | 129.1 | 174.9 | -23.6 | 34.3 | 0 | 0 | 0 | 111.9 | N624 C625 | P596-N624 WeakPolarHBondContact CB-O 3.44Å; P596-N624 HydrophobicContact CG-CB 4.43Å; P596-C625 HydrophobicContact CB-CB 3.91Å | ||
| 597 | F | 94.4 | Very high | 87.9 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | trans | -149.4 | 138.1 | 177.1 | -162.6 | -92.6 | 0 | 0 | 0 | 109.5 | Y551 L555 L583 E587 A590 L595 I600 | Y551-F597 AromaticContact CD1-CE2 3.62Å; Y551-F597 HydrophobicContact CD1-CE2 3.62Å; Y551-F597 HydrophobicContact CD1-CZ 4.47Å; Y551-F597 AromaticContact CE1-CE2 3.51Å; Y551-F597 HydrophobicContact CE1-CE2 3.51Å; Y551-F597 HydrophobicContact CE1-CZ 4.04Å; Y551-F597 HydrophobicContact CE2-CE2 4.47Å; Y551-F597 HydrophobicContact CE2-CZ 4.48Å; Y551-F597 HydrophobicContact CG-CE2 4.17Å; Y551-F597 AromaticContact CZ-CE2 3.97Å; L555-F597 HydrophobicContact CD1-CD2 3.78Å; L555-F597 HydrophobicContact CD1-CE2 4.23Å; L555-F597 HydrophobicContact CD2-CD2 4.3Å; L583-F597 HydrophobicContact CD1-CZ 4.02Å; E587-F597 HydrophobicContact CB-CD1 3.76Å; E587-F597 HydrophobicContact CB-CE1 3.75Å; E587-F597 HydrophobicContact CG-CD1 3.85Å; E587-F597 HydrophobicContact CG-CE1 4.28Å; A590-F597 HydrophobicContact CB-CB 3.73Å; A590-F597 HydrophobicContact CB-CD2 4.07Å; A590-F597 HydrophobicContact CB-CG 4.05Å; L595-F597 PolarHBondContact O-N 3.18Å; F597-I600 HydrophobicContact CE1-CD1 3.93Å; F597-I600 HydrophobicContact CE1-CG1 4.02Å | ||
| 598 | P | 94.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 136.2 | -179.8 | 28.1 | -34.1 | 0 | 0 | 0 | 110.1 | I600 F616 V628 | P598-I600 PolarHBondContact O-N 2.8Å; P598-F616 HydrophobicContact CB-CB 4.13Å; P598-F616 HydrophobicContact CG-CB 4.04Å; P598-V628 HydrophobicContact CG-CB 4.16Å; P598-V628 HydrophobicContact CG-CG2 3.65Å |
| 599 | K | 92.7 | Very high | 88.1 | Confident | 87 Ų | 87 | 63 Ų | 63 | 38% | 0.378 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 129.1 | 178.9 | -172.6 | 175 | -176 | 172.2 | 0 | 110.6 | E587 | E587-K599 VanDerWaalsContact OE1-CA 3.31Å; E587-K599 WeakPolarHBondContact OE1-CA 3.31Å |
| 600 | I | 92 | Very high | 88.5 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 117.4 | 172.8 | -51.2 | -55 | 0 | 0 | 0 | 108.2 | L583 L584 E587 F597 P598 P602 F616 | L583-I600 HydrophobicContact CD2-CD1 3.74Å; L583-I600 HydrophobicContact CD2-CG1 4.23Å; L583-I600 HydrophobicContact CD2-CG2 4.45Å; L583-I600 HydrophobicContact CG-CD1 4.07Å; L583-I600 HydrophobicContact CG-CG1 4.22Å; L584-I600 HydrophobicContact CD2-CB 3.89Å; L584-I600 HydrophobicContact CD2-CG2 3.79Å; E587-I600 HydrophobicContact CB-CG1 4.33Å; E587-I600 PolarHBondContact OE1-N 3.05Å; E587-I600 WeakPolarHBondContact OE2-CB 3.41Å; F597-I600 HydrophobicContact CE1-CD1 3.93Å; F597-I600 HydrophobicContact CE1-CG1 4.02Å; P598-I600 PolarHBondContact O-N 2.8Å; I600-P602 WeakPolarHBondContact O-CD 3.49Å; I600-F616 HydrophobicContact CD1-CB 4.02Å; I600-F616 HydrophobicContact CD1-CD1 3.56Å; I600-F616 HydrophobicContact CD1-CD2 3.89Å; I600-F616 HydrophobicContact CD1-CE1 3.94Å; I600-F616 HydrophobicContact CD1-CE2 4.22Å; I600-F616 HydrophobicContact CD1-CG 3.53Å; I600-F616 HydrophobicContact CD1-CZ 4.25Å; I600-F616 HydrophobicContact CG2-CD1 4.46Å; I600-F616 HydrophobicContact CG2-CE1 3.87Å; I600-F616 HydrophobicContact CG2-CZ 4.17Å |
| 601 | D | 85.4 | Confident | 89 | Confident | 54 Ų | 54 | 68.3 Ų | 68.3 | 29% | 0.289 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -71 | 116.7 | 177.4 | 175.5 | 5.7 | 0 | 0 | 0 | 109.4 | K603 V604 R607 | D601-K603 PolarHBondContact O-N 2.76Å; D601-K603 VanDerWaalsContact O-N 3.09Å; D601-K603 PolarHBondContact OD1-N 3.28Å; D601-V604 HydrophobicContact CB-CB 4.3Å; D601-V604 VanDerWaalsContact O-CB 3.31Å; D601-V604 WeakPolarHBondContact O-CB 2.98Å; D601-V604 WeakPolarHBondContact O-CG1 3.44Å; D601-V604 PolarHBondContact O-N 3.48Å; D601-R607 IonicContact OD2-CZ 2.92Å; D601-R607 IonicContact OD2-NH1 2.73Å; D601-R607 PolarHBondContact OD2-NH1 3.22Å; D601-R607 IonicContact OD2-NH2 2.66Å; D601-R607 PolarHBondContact OD2-NH2 2.81Å |
| 602 | P | 78.3 | Confident | 89.5 | Confident | 82 Ų | 82 | 60.6 Ų | 60.6 | 53% | 0.532 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -19.9 | -177.6 | 26.1 | -34.6 | 0 | 0 | 0 | 112.8 | I600 | I600-P602 WeakPolarHBondContact O-CD 3.49Š|
| 603 | K | 86.4 | Confident | 90.4 | Very high | 140 Ų | 140 | 59.7 Ų | 59.7 | 61% | 0.609 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 6.5 | 178.8 | -60.8 | -175.9 | -179.5 | 179.9 | 0 | 113.3 | D601 F605 D606 R607 | D601-K603 PolarHBondContact O-N 2.76Å; D601-K603 VanDerWaalsContact O-N 3.09Å; D601-K603 PolarHBondContact OD1-N 3.28Å; K603-F605 VanDerWaalsContact C-N 3.25Å; K603-F605 PolarHBondContact O-N 2.84Å; K603-D606 PolarHBondContact O-N 3.3Å; K603-R607 PolarHBondContact O-N 3.37Å |
| 604 | V | 90.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.7 | -40.3 | -178.9 | 69.6 | 0 | 0 | 0 | 0 | 111.3 | F580 D601 R607 E608 Y614 F616 | F580-V604 HydrophobicContact CD2-CG1 4.01Å; F580-V604 HydrophobicContact CE1-CG1 4.33Å; F580-V604 HydrophobicContact CE2-CG1 3.47Å; F580-V604 VanDerWaalsContact CE2-CG1 3.47Å; F580-V604 HydrophobicContact CZ-CG1 3.65Å; D601-V604 HydrophobicContact CB-CB 4.3Å; D601-V604 VanDerWaalsContact O-CB 3.31Å; D601-V604 WeakPolarHBondContact O-CB 2.98Å; D601-V604 WeakPolarHBondContact O-CG1 3.44Å; D601-V604 PolarHBondContact O-N 3.48Å; V604-R607 PolarHBondContact O-N 3.35Å; V604-E608 HydrophobicContact CG2-CG 4.41Å; V604-E608 VanDerWaalsContact O-CB 3.28Å; V604-E608 WeakPolarHBondContact O-CB 3.42Å; V604-E608 PolarHBondContact O-N 2.97Å; V604-Y614 HydrophobicContact CG2-CD1 4.25Å; V604-F616 HydrophobicContact CG1-CE1 4.31Å; V604-F616 HydrophobicContact CG1-CZ 4.38Å; V604-F616 HydrophobicContact CG2-CE1 4.35Å |
| 605 | F | 89.6 | Confident | 91.9 | Very high | 40 Ų | 40 | 53.1 Ų | 53.1 | 18% | 0.175 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -47 | 178.1 | -167.8 | -105.8 | 0 | 0 | 0 | 111.9 | S576 P578 F580 K603 R607 E608 G609 L610 | S576-F605 WeakPolarHBondContact O-CZ 3.35Å; P578-F605 HydrophobicContact CB-CB 4.38Å; P578-F605 HydrophobicContact CB-CD1 4.03Å; P578-F605 HydrophobicContact CB-CD2 4.06Å; P578-F605 HydrophobicContact CB-CE1 4.31Å; P578-F605 HydrophobicContact CB-CE2 4.35Å; P578-F605 HydrophobicContact CB-CG 3.88Å; P578-F605 HydrophobicContact CB-CZ 4.46Å; P578-F605 HydrophobicContact CG-CD1 3.67Å; P578-F605 HydrophobicContact CG-CE1 3.74Å; P578-F605 HydrophobicContact CG-CG 4.07Å; P578-F605 HydrophobicContact CG-CZ 4.2Å; F580-F605 HydrophobicContact CD2-CB 4.28Å; F580-F605 HydrophobicContact CE2-CB 3.83Å; F580-F605 HydrophobicContact CE2-CD2 4.01Å; F580-F605 HydrophobicContact CE2-CG 4.38Å; K603-F605 VanDerWaalsContact C-N 3.25Å; K603-F605 PolarHBondContact O-N 2.84Å; F605-R607 PolarHBondContact O-N 3.29Å; F605-E608 PolarHBondContact O-N 2.99Å; F605-G609 WeakPolarHBondContact O-CA 3.38Å; F605-G609 PolarHBondContact O-N 3.24Å; F605-L610 HydrophobicContact CE2-CB 4.29Å; F605-L610 HydrophobicContact CE2-CD1 3.98Å |
| 606 | D | 88.4 | Confident | 92.4 | Very high | 131 Ų | 131 | 52.2 Ų | 52.2 | 70% | 0.701 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.7 | -34.9 | -179.5 | -58.6 | -31.6 | 0 | 0 | 0 | 112.1 | K603 | K603-D606 PolarHBondContact O-N 3.3Å |
| 607 | R | 92.6 | Very high | 92.7 | Very high | 153 Ų | 153 | 54.6 Ų | 54.6 | 58% | 0.577 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -79.7 | -42.4 | 179.8 | -179.1 | 178.1 | 64.6 | -123.1 | -3 | 112.9 | D601 K603 V604 F605 | D601-R607 IonicContact OD2-CZ 2.92Å; D601-R607 IonicContact OD2-NH1 2.73Å; D601-R607 PolarHBondContact OD2-NH1 3.22Å; D601-R607 IonicContact OD2-NH2 2.66Å; D601-R607 PolarHBondContact OD2-NH2 2.81Å; K603-R607 PolarHBondContact O-N 3.37Å; V604-R607 PolarHBondContact O-N 3.35Å; F605-R607 PolarHBondContact O-N 3.29Å |
| 608 | E | 91.9 | Very high | 92.6 | Very high | 67 Ų | 67 | 54.8 Ų | 54.8 | 31% | 0.313 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -104.5 | -15 | -166.2 | -64.5 | -168.5 | -155.2 | 0 | 0 | 114 | V604 F605 K611 Y614 | V604-E608 HydrophobicContact CG2-CG 4.41Å; V604-E608 VanDerWaalsContact O-CB 3.28Å; V604-E608 WeakPolarHBondContact O-CB 3.42Å; V604-E608 PolarHBondContact O-N 2.97Å; F605-E608 PolarHBondContact O-N 2.99Å; E608-K611 HydrophobicContact CB-CD 4.28Å; E608-K611 WeakPolarHBondContact O-CE 3.22Å; E608-K611 IonicContact OE2-NZ 3.84Å; E608-K611 PolarHBondContact OE2-NZ 2.94Å; E608-Y614 HydrophobicContact CB-CE1 4.38Å |
| 609 | G | 93.9 | Very high | 92.2 | Very high | 30 Ų | 30 | 60.8 Ų | 60.8 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | trans | 63.5 | -167.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F605 Y614 | F605-G609 WeakPolarHBondContact O-CA 3.38Å; F605-G609 PolarHBondContact O-N 3.24Å; G609-Y614 PolarHBondContact O-OH 3.48Å | ||
| 610 | L | 95.4 | Very high | 91.6 | Very high | 54 Ų | 54 | 67.2 Ų | 67.2 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -76 | 126.9 | 177.9 | -166.6 | 72.3 | 0 | 0 | 0 | 111 | R572 D575 P579 F605 Y614 V634 I636 | R572-L610 VanDerWaalsContact NH1-CD1 3.33Å; D575-L610 VanDerWaalsContact O-CD2 3.25Å; D575-L610 WeakPolarHBondContact O-CD2 3.2Å; P579-L610 HydrophobicContact CG-CD1 4.32Å; F605-L610 HydrophobicContact CE2-CB 4.29Å; F605-L610 HydrophobicContact CE2-CD1 3.98Å; L610-Y614 WeakPolarHBondContact CA-OH 3.27Å; L610-V634 HydrophobicContact CD1-CG1 3.77Å; L610-V634 HydrophobicContact CD2-CB 4.31Å; L610-V634 HydrophobicContact CD2-CG1 3.82Å; L610-V634 HydrophobicContact CG-CG1 3.85Å; L610-I636 HydrophobicContact CB-CD1 4.49Å; L610-I636 HydrophobicContact CD2-CD1 4.26Å; L610-I636 HydrophobicContact CG-CD1 4.1Å; L610-I636 WeakPolarHBondContact O-CD1 3.33Å |
| 611 | K | 96.7 | Very high | 90.8 | Very high | 81 Ų | 81 | 70.5 Ų | 70.5 | 35% | 0.352 | 36% | 0.358 | S | S | . | . | trans | -131.4 | 161.5 | 178.3 | -64.8 | -178.3 | 172.3 | 175.2 | 0 | 111.6 | E608 Y614 V632 | E608-K611 HydrophobicContact CB-CD 4.28Å; E608-K611 WeakPolarHBondContact O-CE 3.22Å; E608-K611 IonicContact OE2-NZ 3.84Å; E608-K611 PolarHBondContact OE2-NZ 2.94Å; K611-Y614 HydrophobicContact CB-CE1 3.93Å; K611-Y614 HydrophobicContact CB-CE2 4.21Å; K611-Y614 HydrophobicContact CD-CD1 4.28Å; K611-Y614 HydrophobicContact CD-CE1 4.02Å; K611-Y614 HydrophobicContact CG-CE1 4.1Å; K611-Y614 PolarHBondContact N-OH 3.34Å; K611-V632 WeakPolarHBondContact O-CG2 3.46Å | ||
| 612 | E | 97.9 | Very high | 90.5 | Very high | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -67.8 | -34.1 | 174.4 | -67.3 | 167.9 | -173.7 | 0 | 0 | 112.6 | F631 V632 V634 N637 N694 N695 | E612-F631 WeakPolarHBondContact O-CA 3.48Å; E612-V632 PolarHBondContact O-N 2.53Å; E612-V632 VanDerWaalsContact O-N 3.12Å; E612-V634 HydrophobicContact CB-CG2 4.46Å; E612-V634 HydrophobicContact CG-CG2 4.15Å; E612-N637 VanDerWaalsContact OE1-CB 3.24Å; E612-N637 WeakPolarHBondContact OE1-CB 3.43Å; E612-N637 PolarHBondContact OE1-N 3.15Å; E612-N637 PolarHBondContact OE1-ND2 3.42Å; E612-N694 PolarHBondContact OE2-ND2 3.01Å; E612-N695 WeakPolarHBondContact CB-ND2 3.26Å; E612-N695 PolarHBondContact OE2-ND2 3.45Å |
| 613 | C | 98.1 | Very high | 90.5 | Very high | 11 Ų | 11 | 74.1 Ų | 74.1 | 7% | 0.074 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 160.4 | 171.4 | 75.5 | 0 | 0 | 0 | 0 | 113 | I629 H630 F631 N695 | C613-I629 HydrophobicContact CB-CG2 4.3Å; C613-H630 CarbonylContact C-O 3.59Å; C613-H630 WeakPolarHBondContact CA-O 3.17Å; C613-F631 HydrophobicContact CB-CB 4.44Å; C613-F631 HydrophobicContact CB-CD1 3.71Å; C613-F631 HydrophobicContact CB-CD2 4.02Å; C613-F631 HydrophobicContact CB-CE1 3.86Å; C613-F631 HydrophobicContact CB-CE2 4.15Å; C613-F631 HydrophobicContact CB-CG 3.8Å; C613-F631 HydrophobicContact CB-CZ 4.07Å; C613-N695 PolarHBondContact SG-OD1 3.35Å; C613-N695 VanDerWaalsContact SG-OD1 3.34Å |
| 614 | Y | 98.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 153.5 | 175.7 | -53.6 | -97 | 0 | 0 | 0 | 110.1 | P579 F580 V604 E608 G609 L610 K611 I629 H630 V632 | P579-Y614 HydrophobicContact CG-CE2 4.14Å; F580-Y614 HydrophobicContact CE1-CD1 4.48Å; F580-Y614 AromaticContact CE1-CD2 3.73Å; F580-Y614 HydrophobicContact CE1-CD2 3.73Å; F580-Y614 AromaticContact CE1-CE2 3.92Å; F580-Y614 HydrophobicContact CE1-CE2 3.92Å; F580-Y614 HydrophobicContact CE1-CG 4.02Å; F580-Y614 AromaticContact CZ-CD1 3.9Å; F580-Y614 HydrophobicContact CZ-CD1 3.9Å; F580-Y614 AromaticContact CZ-CD2 3.75Å; F580-Y614 HydrophobicContact CZ-CD2 3.75Å; F580-Y614 AromaticContact CZ-CE1 3.75Å; F580-Y614 HydrophobicContact CZ-CE1 3.75Å; F580-Y614 AromaticContact CZ-CE2 3.61Å; F580-Y614 HydrophobicContact CZ-CE2 3.61Å; F580-Y614 AromaticContact CZ-CG 3.89Å; F580-Y614 HydrophobicContact CZ-CG 3.89Å; F580-Y614 AromaticContact CZ-CZ 3.59Å; V604-Y614 HydrophobicContact CG2-CD1 4.25Å; E608-Y614 HydrophobicContact CB-CE1 4.38Å; G609-Y614 PolarHBondContact O-OH 3.48Å; L610-Y614 WeakPolarHBondContact CA-OH 3.27Å; K611-Y614 HydrophobicContact CB-CE1 3.93Å; K611-Y614 HydrophobicContact CB-CE2 4.21Å; K611-Y614 HydrophobicContact CD-CD1 4.28Å; K611-Y614 HydrophobicContact CD-CE1 4.02Å; K611-Y614 HydrophobicContact CG-CE1 4.1Å; K611-Y614 PolarHBondContact N-OH 3.34Å; Y614-I629 CarbonylContact O-C 3.6Å; Y614-I629 WeakPolarHBondContact O-CA 3.33Å; Y614-H630 PolarHBondContact N-O 3.15Å; Y614-H630 PolarHBondContact O-N 2.61Å; Y614-V632 HydrophobicContact CE2-CG1 4.31Å; Y614-V632 HydrophobicContact CE2-CG2 4.11Å |
| 615 | V | 97.9 | Very high | 90.1 | Very high | 58 Ų | 58 | 72.1 Ų | 72.1 | 35% | 0.352 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120.4 | 179.4 | -175 | 0 | 0 | 0 | 0 | 110.2 | K617 T627 V628 I629 V698 | V615-K617 HydrophobicContact CG1-CG 4.05Å; V615-T627 HydrophobicContact CG1-CG2 4.06Å; V615-V628 CarbonylContact C-O 3.55Å; V615-V628 WeakPolarHBondContact CA-O 3.19Å; V615-I629 HydrophobicContact CG2-CG1 4.41Å; V615-I629 HydrophobicContact CG2-CG2 4.5Å; V615-V698 HydrophobicContact CG2-CG1 3.45Å; V615-V698 VanDerWaalsContact CG2-CG1 3.45Å |
| 616 | F | 97.3 | Very high | 90.4 | Very high | 12 Ų | 12 | 70.4 Ų | 70.4 | 5% | 0.053 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.9 | 176.6 | -56.8 | -82.2 | 0 | 0 | 0 | 109.5 | F580 L583 P598 I600 V604 V628 H630 | F580-F616 HydrophobicContact CD1-CZ 4.35Å; F580-F616 HydrophobicContact CE1-CE2 4.35Å; F580-F616 AromaticContact CE1-CZ 3.88Å; F580-F616 HydrophobicContact CE1-CZ 3.88Å; L583-F616 HydrophobicContact CD2-CD2 4.06Å; L583-F616 HydrophobicContact CD2-CE2 3.54Å; L583-F616 HydrophobicContact CD2-CZ 4.04Å; P598-F616 HydrophobicContact CB-CB 4.13Å; P598-F616 HydrophobicContact CG-CB 4.04Å; I600-F616 HydrophobicContact CD1-CB 4.02Å; I600-F616 HydrophobicContact CD1-CD1 3.56Å; I600-F616 HydrophobicContact CD1-CD2 3.89Å; I600-F616 HydrophobicContact CD1-CE1 3.94Å; I600-F616 HydrophobicContact CD1-CE2 4.22Å; I600-F616 HydrophobicContact CD1-CG 3.53Å; I600-F616 HydrophobicContact CD1-CZ 4.25Å; I600-F616 HydrophobicContact CG2-CD1 4.46Å; I600-F616 HydrophobicContact CG2-CE1 3.87Å; I600-F616 HydrophobicContact CG2-CZ 4.17Å; V604-F616 HydrophobicContact CG1-CE1 4.31Å; V604-F616 HydrophobicContact CG1-CZ 4.38Å; V604-F616 HydrophobicContact CG2-CE1 4.35Å; F616-V628 HydrophobicContact CB-CB 4.37Å; F616-V628 PolarHBondContact N-O 3Å; F616-V628 PolarHBondContact O-N 3.09Å; F616-H630 HydrophobicContact CD2-CB 4.35Å; F616-H630 HydrophobicContact CE2-CB 4.02Å |
| 617 | K | 94.8 | Very high | 90.8 | Very high | 103 Ų | 103 | 64.8 Ų | 64.8 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | trans | -104.1 | 148.5 | -176.6 | -60.4 | -173.2 | -174.7 | -174.1 | 0 | 110.7 | V615 T627 E705 | V615-K617 HydrophobicContact CG1-CG 4.05Å; K617-T627 HydrophobicContact CG-CG2 4.21Å; K617-E705 WeakPolarHBondContact CE-OE2 3.14Å; K617-E705 IonicContact NZ-OE1 2.7Å; K617-E705 PolarHBondContact NZ-OE1 2.66Å; K617-E705 IonicContact NZ-OE2 3.98Å; K617-E705 PolarHBondContact NZ-OE2 3.04Å | ||
| 618 | P | 91.2 | Very high | 91.1 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 149.3 | 169.4 | -25.1 | 34.2 | 0 | 0 | 0 | 112.4 | E622 C625 P626 T627 | P618-E622 HydrophobicContact CB-CB 4.32Å; P618-C625 HydrophobicContact CB-CB 3.87Å; P618-C625 HydrophobicContact CG-CB 3.91Å; P618-C625 WeakPolarHBondContact CG-O 3.39Å; P618-P626 WeakPolarHBondContact CG-O 3.38Å; P618-T627 WeakPolarHBondContact CD-OG1 3.34Å |
| 619 | R | 87.9 | Confident | 91.4 | Very high | 127 Ų | 127 | 54.3 Ų | 54.3 | 48% | 0.479 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 153.8 | 170.9 | -65.4 | 172.6 | 164.4 | -167.8 | -11.6 | 110.2 | G621 E622 | R619-G621 PolarHBondContact O-N 3.38Å; R619-G621 VanDerWaalsContact O-N 3.13Å; R619-E622 HydrophobicContact CB-CG 4.13Å; R619-E622 PolarHBondContact N-OE2 3.48Å; R619-E622 WeakPolarHBondContact O-CB 3.37Å; R619-E622 PolarHBondContact O-N 2.83Å |
| 620 | K | 80.1 | Confident | 91.6 | Very high | 221 Ų | 221 | 52.9 Ų | 52.9 | 96% | 0.961 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 119.7 | 177.7 | -168 | 178.4 | -177 | 179.7 | 0 | 109.7 | ||
| 621 | G | 74.8 | Confident | 91.8 | Very high | 73 Ų | 73 | 50.3 Ų | 50.3 | 75% | 0.753 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.2 | -13.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R619 K623 | R619-G621 PolarHBondContact O-N 3.38Å; R619-G621 VanDerWaalsContact O-N 3.13Å; G621-K623 PolarHBondContact O-N 2.76Å |
| 622 | E | 79.5 | Confident | 91.9 | Very high | 71 Ų | 71 | 46.5 Ų | 46.5 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | trans | -73.5 | 113.4 | 175.5 | -72.6 | 175.9 | 170.3 | 0 | 0 | 111.1 | P618 R619 C625 | P618-E622 HydrophobicContact CB-CB 4.32Å; R619-E622 HydrophobicContact CB-CG 4.13Å; R619-E622 PolarHBondContact N-OE2 3.48Å; R619-E622 WeakPolarHBondContact O-CB 3.37Å; R619-E622 PolarHBondContact O-N 2.83Å; E622-C625 HydrophobicContact CB-CB 4.11Å | ||
| 623 | K | 76.9 | Confident | 91.9 | Very high | 142 Ų | 142 | 46.2 Ų | 46.2 | 62% | 0.617 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -86.4 | 147 | 175.5 | -63.4 | -177.9 | -178.3 | 175.8 | 0 | 110.2 | G621 C625 | G621-K623 PolarHBondContact O-N 2.76Å; K623-C625 PolarHBondContact O-N 3.32Å |
| 624 | N | 77.9 | Confident | 91.8 | Very high | 99 Ų | 99 | 45.8 Ų | 45.8 | 53% | 0.529 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 60.4 | 10.8 | 176.9 | -55.5 | -58.7 | 0 | 0 | 0 | 115.6 | P596 H717 | P596-N624 WeakPolarHBondContact CB-O 3.44Å; P596-N624 HydrophobicContact CG-CB 4.43Å; N624-H717 PolarHBondContact OD1-CE1 2.96Å; N624-H717 PolarHBondContact OD1-ND1 3.49Å |
| 625 | C | 90.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.034 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -85.1 | 129.4 | 172.7 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | P596 P618 E622 K623 | P596-C625 HydrophobicContact CB-CB 3.91Å; P618-C625 HydrophobicContact CB-CB 3.87Å; P618-C625 HydrophobicContact CG-CB 3.91Å; P618-C625 WeakPolarHBondContact CG-O 3.39Å; E622-C625 HydrophobicContact CB-CB 4.11Å; K623-C625 PolarHBondContact O-N 3.32Å |
| 626 | P | 95.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 154.8 | 177.5 | 30.8 | -34.3 | 0 | 0 | 0 | 111.8 | L555 D562 I564 P618 | L555-P626 HydrophobicContact CD2-CG 4.04Å; D562-P626 CarbonylContact O-C 3.46Å; D562-P626 VanDerWaalsContact O-CA 3.24Å; D562-P626 WeakPolarHBondContact O-CA 3.37Å; I564-P626 HydrophobicContact CD1-CB 3.98Å; I564-P626 HydrophobicContact CD1-CG 3.82Å; I564-P626 HydrophobicContact CG1-CB 4.16Å; P618-P626 WeakPolarHBondContact CG-O 3.38Å |
| 627 | T | 97.6 | Very high | 91.7 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 137.3 | 158.4 | -63.5 | 0 | 0 | 0 | 0 | 108.6 | D562 L563 I564 V615 K617 P618 | D562-T627 PolarHBondContact O-N 3.22Å; L563-T627 WeakPolarHBondContact CA-O 3.37Å; L563-T627 HydrophobicContact CD1-CG2 4.06Å; I564-T627 PolarHBondContact N-O 2.88Å; V615-T627 HydrophobicContact CG1-CG2 4.06Å; K617-T627 HydrophobicContact CG-CG2 4.21Å; P618-T627 WeakPolarHBondContact CD-OG1 3.34Å |
| 628 | V | 98.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.7 | 178.2 | 175.5 | 0 | 0 | 0 | 0 | 109.1 | Y551 I564 P598 V615 F616 H630 | Y551-V628 HydrophobicContact CE1-CG2 4.36Å; Y551-V628 VanDerWaalsContact OH-CG1 3.27Å; Y551-V628 WeakPolarHBondContact OH-CG1 3.37Å; I564-V628 HydrophobicContact CB-CG2 4.23Å; I564-V628 HydrophobicContact CD1-CG2 4.38Å; I564-V628 CarbonylContact O-C 3.52Å; I564-V628 WeakPolarHBondContact O-CA 3.32Å; P598-V628 HydrophobicContact CG-CB 4.16Å; P598-V628 HydrophobicContact CG-CG2 3.65Å; V615-V628 CarbonylContact C-O 3.55Å; V615-V628 WeakPolarHBondContact CA-O 3.19Å; F616-V628 HydrophobicContact CB-CB 4.37Å; F616-V628 PolarHBondContact N-O 3Å; F616-V628 PolarHBondContact O-N 3.09Å; V628-H630 HydrophobicContact CG1-CB 4.28Å |
| 629 | I | 98.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.1 | 161.5 | -51.6 | 176.7 | 0 | 0 | 0 | 106.5 | L563 I564 I565 S566 C613 Y614 V615 F631 V698 I699 A702 | L563-I629 HydrophobicContact CD1-CD1 4.16Å; L563-I629 HydrophobicContact CD1-CG1 4.04Å; I564-I629 PolarHBondContact O-N 3.27Å; I565-I629 HydrophobicContact CG1-CD1 4.4Å; S566-I629 PolarHBondContact N-O 3.01Å; C613-I629 HydrophobicContact CB-CG2 4.3Å; Y614-I629 CarbonylContact O-C 3.6Å; Y614-I629 WeakPolarHBondContact O-CA 3.33Å; V615-I629 HydrophobicContact CG2-CG1 4.41Å; V615-I629 HydrophobicContact CG2-CG2 4.5Å; I629-F631 HydrophobicContact CG2-CD2 3.92Å; I629-F631 HydrophobicContact CG2-CE2 3.57Å; I629-F631 HydrophobicContact CG2-CZ 4.47Å; I629-V698 HydrophobicContact CG2-CG1 4.43Å; I629-I699 HydrophobicContact CD1-CB 4.37Å; I629-I699 HydrophobicContact CD1-CG1 3.98Å; I629-A702 HydrophobicContact CD1-CB 3.67Å; I629-A702 HydrophobicContact CG1-CB 4.21Å |
| 630 | H | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 99.8 | -176 | -175.1 | 71 | 0 | 0 | 0 | 109.9 | D568 P579 L583 C613 Y614 F616 V628 V632 | D568-H630 IonicContact OD2-CE1 3.22Å; D568-H630 IonicContact OD2-NE2 3.21Å; P579-H630 PolarHBondContact O-NE2 3.3Å; L583-H630 HydrophobicContact CD2-CB 4.29Å; C613-H630 CarbonylContact C-O 3.59Å; C613-H630 WeakPolarHBondContact CA-O 3.17Å; Y614-H630 PolarHBondContact N-O 3.15Å; Y614-H630 PolarHBondContact O-N 2.61Å; F616-H630 HydrophobicContact CD2-CB 4.35Å; F616-H630 HydrophobicContact CE2-CB 4.02Å; V628-H630 HydrophobicContact CG1-CB 4.28Å; H630-V632 VanDerWaalsContact CD2-CG1 3.48Å; H630-V632 WeakPolarHBondContact CD2-CG1 3.37Å; H630-V632 WeakPolarHBondContact NE2-CG1 3.16Å |
| 631 | F | 98.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 141.1 | 169.7 | -76.5 | -97.1 | 0 | 0 | 0 | 110.3 | I565 S566 F567 D568 E612 C613 I629 N695 I699 | I565-F631 HydrophobicContact CG2-CD2 4.07Å; I565-F631 HydrophobicContact CG2-CE2 3.89Å; S566-F631 WeakPolarHBondContact O-CB 3.16Å; S566-F631 PolarHBondContact O-N 3.09Å; F567-F631 HydrophobicContact CD1-CB 3.47Å; F567-F631 VanDerWaalsContact CD1-CB 3.47Å; F567-F631 HydrophobicContact CD1-CD1 4.39Å; F567-F631 HydrophobicContact CD1-CD2 4.08Å; F567-F631 AromaticContact CD1-CG 3.74Å; F567-F631 HydrophobicContact CD1-CG 3.74Å; F567-F631 HydrophobicContact CE1-CB 3.82Å; F567-F631 AromaticContact CE1-CD1 3.96Å; F567-F631 HydrophobicContact CE1-CD1 3.96Å; F567-F631 AromaticContact CE1-CD2 3.59Å; F567-F631 HydrophobicContact CE1-CD2 3.59Å; F567-F631 HydrophobicContact CE1-CE1 4.43Å; F567-F631 HydrophobicContact CE1-CE2 4.11Å; F567-F631 AromaticContact CE1-CG 3.51Å; F567-F631 HydrophobicContact CE1-CG 3.51Å; F567-F631 HydrophobicContact CG-CB 4.19Å; F567-F631 AromaticContact CZ-CD2 3.89Å; F567-F631 HydrophobicContact CZ-CD2 3.89Å; F567-F631 HydrophobicContact CZ-CE2 4.16Å; F567-F631 HydrophobicContact CZ-CG 4.28Å; D568-F631 PolarHBondContact N-O 3.27Å; E612-F631 WeakPolarHBondContact O-CA 3.48Å; C613-F631 HydrophobicContact CB-CB 4.44Å; C613-F631 HydrophobicContact CB-CD1 3.71Å; C613-F631 HydrophobicContact CB-CD2 4.02Å; C613-F631 HydrophobicContact CB-CE1 3.86Å; C613-F631 HydrophobicContact CB-CE2 4.15Å; C613-F631 HydrophobicContact CB-CG 3.8Å; C613-F631 HydrophobicContact CB-CZ 4.07Å; I629-F631 HydrophobicContact CG2-CD2 3.92Å; I629-F631 HydrophobicContact CG2-CE2 3.57Å; I629-F631 HydrophobicContact CG2-CZ 4.47Å; F631-N695 HydrophobicContact CE1-CB 3.71Å; F631-N695 HydrophobicContact CZ-CB 3.73Å; F631-I699 HydrophobicContact CE2-CD1 4.15Å; F631-I699 HydrophobicContact CE2-CG1 4.3Å; F631-I699 HydrophobicContact CZ-CD1 4.04Å; F631-I699 HydrophobicContact CZ-CG1 4.37Å |
| 632 | V | 98.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.4 | -178.7 | -60.8 | 0 | 0 | 0 | 0 | 110 | P579 K611 E612 Y614 H630 V634 | P579-V632 HydrophobicContact CB-CB 3.9Å; P579-V632 HydrophobicContact CB-CG1 3.61Å; P579-V632 HydrophobicContact CB-CG2 4.4Å; P579-V632 HydrophobicContact CG-CB 4.14Å; P579-V632 HydrophobicContact CG-CG1 3.71Å; P579-V632 HydrophobicContact CG-CG2 4.17Å; K611-V632 WeakPolarHBondContact O-CG2 3.46Å; E612-V632 PolarHBondContact O-N 2.53Å; E612-V632 VanDerWaalsContact O-N 3.12Å; Y614-V632 HydrophobicContact CE2-CG1 4.31Å; Y614-V632 HydrophobicContact CE2-CG2 4.11Å; H630-V632 VanDerWaalsContact CD2-CG1 3.48Å; H630-V632 WeakPolarHBondContact CD2-CG1 3.37Å; H630-V632 WeakPolarHBondContact NE2-CG1 3.16Å; V632-V634 HydrophobicContact CB-CG1 4.49Å; V632-V634 HydrophobicContact CG2-CG1 3.74Å; V632-V634 HydrophobicContact CG2-CG2 4.07Å; V632-V634 PolarHBondContact O-N 2.75Å; V632-V634 VanDerWaalsContact O-N 3.1Å |
| 633 | L | 98.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | trans | -75.3 | 98.7 | 177.6 | 179.1 | 58.7 | 0 | 0 | 0 | 111.1 | R196 D568 F569 R572 I661 F662 L684 L687 M688 | R196-L633 HydrophobicContact CG-CD2 3.77Å; D568-L633 WeakPolarHBondContact O-CB 3.31Å; D568-L633 PolarHBondContact O-N 3.11Å; F569-L633 HydrophobicContact CD1-CB 4.47Å; R572-L633 PolarHBondContact NH2-O 2.89Å; L633-I661 HydrophobicContact CD2-CG2 3.85Å; L633-I661 HydrophobicContact CG-CG1 4.36Å; L633-I661 HydrophobicContact CG-CG2 4.21Å; L633-F662 HydrophobicContact CD2-CZ 4.11Å; L633-L684 HydrophobicContact CD1-CD1 3.54Å; L633-L684 HydrophobicContact CD2-CD1 4.18Å; L633-L687 HydrophobicContact CD1-CD2 3.93Å; L633-M688 HydrophobicContact CD1-CG 3.96Å; L633-M688 HydrophobicContact CD1-SD 3.48Å; L633-M688 WeakPolarHBondContact CD1-SD 3.32Å | ||
| 634 | V | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | trans | -143.3 | 141.6 | -177.9 | -64.9 | 0 | 0 | 0 | 0 | 111 | L610 E612 V632 I636 L687 N691 | L610-V634 HydrophobicContact CD1-CG1 3.77Å; L610-V634 HydrophobicContact CD2-CB 4.31Å; L610-V634 HydrophobicContact CD2-CG1 3.82Å; L610-V634 HydrophobicContact CG-CG1 3.85Å; E612-V634 HydrophobicContact CB-CG2 4.46Å; E612-V634 HydrophobicContact CG-CG2 4.15Å; V632-V634 HydrophobicContact CB-CG1 4.49Å; V632-V634 HydrophobicContact CG2-CG1 3.74Å; V632-V634 HydrophobicContact CG2-CG2 4.07Å; V632-V634 PolarHBondContact O-N 2.75Å; V632-V634 VanDerWaalsContact O-N 3.1Å; V634-I636 HydrophobicContact CB-CD1 4.17Å; V634-I636 HydrophobicContact CB-CG1 4.04Å; V634-I636 HydrophobicContact CG2-CD1 3.76Å; V634-I636 HydrophobicContact CG2-CG1 3.93Å; V634-L687 WeakPolarHBondContact O-CD1 3.28Å; V634-N691 PolarHBondContact O-ND2 2.85Å | ||
| 635 | N | 97.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 28.9 Ų | 28.9 | 6% | 0.059 | 17% | 0.169 | C | C | . | . | trans | -105.6 | 85.3 | 174.3 | -174.3 | 12 | 0 | 0 | 0 | 111 | F638 R639 A657 F659 I661 L687 | N635-F638 WeakPolarHBondContact OD1-CB 3.3Å; N635-R639 PolarHBondContact O-NE 3.29Å; N635-R639 VanDerWaalsContact O-NE 3.13Å; N635-R639 WeakPolarHBondContact OD1-CG 3.13Å; N635-R639 PolarHBondContact OD1-N 3.2Å; N635-A657 PolarHBondContact ND2-O 3Å; N635-F659 PolarHBondContact ND2-O 3.04Å; N635-I661 HydrophobicContact CB-CD1 3.62Å; N635-L687 HydrophobicContact CB-CD1 4.07Å; N635-L687 HydrophobicContact CB-CD2 4.05Å | ||
| 636 | I | 95.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 31.7 Ų | 31.7 | 30% | 0.303 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -106.7 | -85.9 | -177.7 | -50.9 | 174.8 | 0 | 0 | 0 | 110.4 | L610 V634 F638 R639 | L610-I636 HydrophobicContact CB-CD1 4.49Å; L610-I636 HydrophobicContact CD2-CD1 4.26Å; L610-I636 HydrophobicContact CG-CD1 4.1Å; L610-I636 WeakPolarHBondContact O-CD1 3.33Å; V634-I636 HydrophobicContact CB-CD1 4.17Å; V634-I636 HydrophobicContact CB-CG1 4.04Å; V634-I636 HydrophobicContact CG2-CD1 3.76Å; V634-I636 HydrophobicContact CG2-CG1 3.93Å; I636-F638 VanDerWaalsContact C-N 3.3Å; I636-F638 PolarHBondContact O-N 2.96Å; I636-R639 PolarHBondContact O-N 2.93Å |
| 637 | N | 97.3 | Very high | 97.3 | Very high | 61 Ų | 61 | 34.7 Ų | 34.7 | 33% | 0.326 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -73.6 | -25.2 | -176.3 | -61.5 | -52.7 | 0 | 0 | 0 | 111.7 | E612 R639 T640 F641 F690 | E612-N637 VanDerWaalsContact OE1-CB 3.24Å; E612-N637 WeakPolarHBondContact OE1-CB 3.43Å; E612-N637 PolarHBondContact OE1-N 3.15Å; E612-N637 PolarHBondContact OE1-ND2 3.42Å; N637-R639 PolarHBondContact O-N 3.2Å; N637-R639 VanDerWaalsContact O-N 3.14Å; N637-T640 PolarHBondContact O-N 3.44Å; N637-T640 PolarHBondContact O-OG1 3.44Å; N637-F641 HydrophobicContact CB-CD2 4.09Å; N637-F641 WeakPolarHBondContact O-CD2 3.3Å; N637-F641 PolarHBondContact O-N 2.66Å; N637-F690 HydrophobicContact CB-CE1 3.83Å; N637-F690 HydrophobicContact CB-CZ 3.97Å |
| 638 | F | 97.8 | Very high | 97.2 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.022 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -58 | -28.9 | 178 | -177 | -111.7 | 0 | 0 | 0 | 113.5 | N635 I636 T640 R648 A657 F659 D686 L687 F690 | N635-F638 WeakPolarHBondContact OD1-CB 3.3Å; I636-F638 VanDerWaalsContact C-N 3.3Å; I636-F638 PolarHBondContact O-N 2.96Å; F638-T640 PolarHBondContact O-N 2.66Å; F638-R648 PolarHBondContact O-NE 3.33Å; F638-R648 PolarHBondContact O-NH2 3.38Å; F638-A657 HydrophobicContact CD1-CB 4.05Å; F638-A657 HydrophobicContact CE1-CB 4.02Å; F638-A657 WeakPolarHBondContact O-CB 3.49Å; F638-F659 HydrophobicContact CD1-CE1 4.36Å; F638-F659 HydrophobicContact CE1-CE1 4.05Å; F638-F659 HydrophobicContact CE1-CZ 4.45Å; F638-D686 HydrophobicContact CE2-CB 4.03Å; F638-D686 HydrophobicContact CZ-CB 3.7Å; F638-L687 HydrophobicContact CB-CD1 3.44Å; F638-L687 VanDerWaalsContact CB-CD1 3.44Å; F638-L687 HydrophobicContact CD1-CB 3.93Å; F638-L687 HydrophobicContact CD1-CD1 3.63Å; F638-L687 HydrophobicContact CD1-CG 4.39Å; F638-L687 HydrophobicContact CE1-CB 4.01Å; F638-L687 HydrophobicContact CG-CB 4.37Å; F638-L687 HydrophobicContact CG-CD1 3.66Å; F638-F690 HydrophobicContact CB-CD1 3.72Å; F638-F690 HydrophobicContact CB-CE1 4.12Å; F638-F690 HydrophobicContact CB-CG 4.22Å; F638-F690 HydrophobicContact CD2-CB 3.47Å; F638-F690 VanDerWaalsContact CD2-CB 3.47Å; F638-F690 AromaticContact CD2-CD1 3.94Å; F638-F690 HydrophobicContact CD2-CD1 3.94Å; F638-F690 HydrophobicContact CD2-CD2 4.03Å; F638-F690 AromaticContact CD2-CG 3.54Å; F638-F690 HydrophobicContact CD2-CG 3.54Å; F638-F690 HydrophobicContact CE2-CB 3.93Å; F638-F690 HydrophobicContact CE2-CG 4.38Å; F638-F690 HydrophobicContact CG-CB 4.41Å; F638-F690 HydrophobicContact CG-CD1 4.31Å; F638-F690 HydrophobicContact CG-CG 4.35Å |
| 639 | R | 96.9 | Very high | 97 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 23% | 0.23 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -58.2 | -35.6 | 172.4 | -61.6 | -162.6 | -179 | -117.2 | 3.1 | 113 | N635 I636 N637 R648 D658 F659 D660 | N635-R639 PolarHBondContact O-NE 3.29Å; N635-R639 VanDerWaalsContact O-NE 3.13Å; N635-R639 WeakPolarHBondContact OD1-CG 3.13Å; N635-R639 PolarHBondContact OD1-N 3.2Å; I636-R639 PolarHBondContact O-N 2.93Å; N637-R639 PolarHBondContact O-N 3.2Å; N637-R639 VanDerWaalsContact O-N 3.14Å; R639-R648 WeakPolarHBondContact O-CD 3.29Å; R639-D658 IonicContact CZ-OD1 2.96Å; R639-D658 IonicContact NH1-OD1 3.64Å; R639-D658 PolarHBondContact NH1-OD1 3.37Å; R639-F659 PolarHBondContact NH2-O 2.78Å; R639-D660 IonicContact CZ-OD1 3.99Å; R639-D660 IonicContact NH1-OD1 3.8Å; R639-D660 IonicContact NH2-OD1 2.61Å; R639-D660 PolarHBondContact NH2-OD1 3.13Å |
| 640 | T | 96.8 | Very high | 96.9 | Very high | 75 Ų | 75 | 45.6 Ų | 45.6 | 46% | 0.46 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -24.2 | -172.5 | 51.5 | 0 | 0 | 0 | 0 | 113 | N637 F638 P647 R648 | N637-T640 PolarHBondContact O-N 3.44Å; N637-T640 PolarHBondContact O-OG1 3.44Å; F638-T640 PolarHBondContact O-N 2.66Å; T640-P647 CarbonylContact O-C 3.51Å; T640-P647 WeakPolarHBondContact O-CA 3.45Å; T640-R648 PolarHBondContact O-N 3.43Å |
| 641 | F | 97.5 | Very high | 96.6 | Very high | 64 Ų | 64 | 51.2 Ų | 51.2 | 28% | 0.281 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 139.6 | -176.8 | -63.4 | -89.7 | 0 | 0 | 0 | 111.7 | N637 V646 P647 R648 F690 | N637-F641 HydrophobicContact CB-CD2 4.09Å; N637-F641 WeakPolarHBondContact O-CD2 3.3Å; N637-F641 PolarHBondContact O-N 2.66Å; F641-V646 CarbonylContact C-O 3.57Å; F641-V646 VanDerWaalsContact CA-O 3.3Å; F641-V646 WeakPolarHBondContact CA-O 3.24Å; F641-P647 HydrophobicContact CD1-CB 4.31Å; F641-P647 HydrophobicContact CE1-CB 4.29Å; F641-R648 PolarHBondContact O-NE 3.46Å; F641-R648 PolarHBondContact O-NH2 3.13Å; F641-F690 HydrophobicContact CB-CE2 3.6Å; F641-F690 HydrophobicContact CB-CZ 3.7Å |
| 642 | K | 94.8 | Very high | 96.3 | Very high | 88 Ų | 88 | 59.4 Ų | 59.4 | 38% | 0.383 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -20.9 | 174.8 | 59.6 | 178.7 | 166.7 | -168.3 | 0 | 113.4 | V646 R648 E653 | K642-V646 HydrophobicContact CD-CG1 4.36Å; K642-V646 HydrophobicContact CG-CB 4.35Å; K642-V646 HydrophobicContact CG-CG1 3.91Å; K642-V646 PolarHBondContact N-O 3.32Å; K642-R648 HydrophobicContact CB-CG 4.01Å; K642-E653 IonicContact NZ-OE1 2.65Å; K642-E653 PolarHBondContact NZ-OE1 2.97Å; K642-E653 IonicContact NZ-OE2 3.34Å |
| 643 | A | 95.8 | Very high | 96.1 | Very high | 38 Ų | 38 | 61.6 Ų | 61.6 | 31% | 0.314 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 161 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | G645 V646 F690 | A643-G645 PolarHBondContact O-N 3.4Å; A643-G645 VanDerWaalsContact O-N 3.09Å; A643-V646 HydrophobicContact CB-CB 4.09Å; A643-V646 HydrophobicContact CB-CG2 4.12Å; A643-V646 PolarHBondContact O-N 3.35Å; A643-F690 VanDerWaalsContact C-CE2 3.46Å |
| 644 | P | 96.1 | Very high | 95.8 | Very high | 54 Ų | 54 | 65.3 Ų | 65.3 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 120.4 | 179.4 | -29.1 | 36.6 | 0 | 0 | 0 | 111.9 | V646 L693 N694 | P644-V646 VanDerWaalsContact C-N 3.26Å; P644-V646 PolarHBondContact O-N 3.48Å; P644-L693 HydrophobicContact CG-CB 3.78Å; P644-N694 HydrophobicContact CG-CB 4.16Å |
| 645 | G | 95.8 | Very high | 95.6 | Very high | 64 Ų | 64 | 71.4 Ų | 71.4 | 66% | 0.66 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 2.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | A643 | A643-G645 PolarHBondContact O-N 3.4Å; A643-G645 VanDerWaalsContact O-N 3.09Å |
| 646 | V | 97.3 | Very high | 95.3 | Very high | 65 Ų | 65 | 73.8 Ų | 73.8 | 39% | 0.394 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 105.1 | -179.5 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | F641 K642 A643 P644 | F641-V646 CarbonylContact C-O 3.57Å; F641-V646 VanDerWaalsContact CA-O 3.3Å; F641-V646 WeakPolarHBondContact CA-O 3.24Å; K642-V646 HydrophobicContact CD-CG1 4.36Å; K642-V646 HydrophobicContact CG-CB 4.35Å; K642-V646 HydrophobicContact CG-CG1 3.91Å; K642-V646 PolarHBondContact N-O 3.32Å; A643-V646 HydrophobicContact CB-CB 4.09Å; A643-V646 HydrophobicContact CB-CG2 4.12Å; A643-V646 PolarHBondContact O-N 3.35Å; P644-V646 VanDerWaalsContact C-N 3.26Å; P644-V646 PolarHBondContact O-N 3.48Å |
| 647 | P | 96.9 | Very high | 95.3 | Very high | 66 Ų | 66 | 71 Ų | 71 | 43% | 0.429 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 158.3 | -177.7 | 29 | -34.7 | 0 | 0 | 0 | 112.2 | T640 F641 | T640-P647 CarbonylContact O-C 3.51Å; T640-P647 WeakPolarHBondContact O-CA 3.45Å; F641-P647 HydrophobicContact CD1-CB 4.31Å; F641-P647 HydrophobicContact CE1-CB 4.29Å |
| 648 | R | 96.1 | Very high | 95.2 | Very high | 24 Ų | 24 | 73.1 Ų | 73.1 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | trans | -80.9 | 131.2 | 169.2 | -67.1 | 172.3 | -176.9 | -78 | -7.7 | 109.4 | F638 R639 T640 F641 K642 E653 K654 A657 | F638-R648 PolarHBondContact O-NE 3.33Å; F638-R648 PolarHBondContact O-NH2 3.38Å; R639-R648 WeakPolarHBondContact O-CD 3.29Å; T640-R648 PolarHBondContact O-N 3.43Å; F641-R648 PolarHBondContact O-NE 3.46Å; F641-R648 PolarHBondContact O-NH2 3.13Å; K642-R648 HydrophobicContact CB-CG 4.01Å; R648-E653 HydrophobicContact CB-CB 4Å; R648-E653 WeakPolarHBondContact CD-O 3.43Å; R648-E653 HydrophobicContact CG-CB 4.11Å; R648-E653 PolarHBondContact NH1-O 2.81Å; R648-K654 HydrophobicContact CB-CG 4.03Å; R648-A657 VanDerWaalsContact CZ-CB 3.42Å | ||
| 649 | E | 95.7 | Very high | 95.1 | Very high | 148 Ų | 148 | 73.5 Ų | 73.5 | 69% | 0.692 | 39% | 0.387 | S | S | * | . | trans | -106 | -42 | -174.5 | -66.8 | -179.9 | -176.3 | 0 | 0 | 111.4 | E653 | E649-E653 PolarHBondContact N-OE2 2.65Š| ||
| 650 | T | 95.2 | Very high | 95 | Very high | 70 Ų | 70 | 73.3 Ų | 73.3 | 43% | 0.429 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -89.2 | 150 | -175.7 | 72.3 | 0 | 0 | 0 | 0 | 111.9 | K652 E653 K654 | T650-K652 VanDerWaalsContact C-N 3.27Å; T650-K652 PolarHBondContact O-N 3.27Å; T650-E653 PolarHBondContact N-OE2 2.92Å; T650-E653 WeakPolarHBondContact O-CB 3.27Å; T650-E653 PolarHBondContact O-N 3.45Å; T650-E653 VanDerWaalsContact O-N 3.11Å; T650-E653 WeakPolarHBondContact OG1-CB 3.05Å; T650-E653 WeakPolarHBondContact OG1-CG 3.06Å; T650-E653 PolarHBondContact OG1-N 3.48Å; T650-K654 PolarHBondContact O-N 2.74Å |
| 651 | E | 93.3 | Very high | 94.9 | Very high | 118 Ų | 118 | 69.8 Ų | 69.8 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.4 | -38.9 | 176 | -65.3 | -52.1 | 120 | 0 | 0 | 112 | E653 K654 E655 | E651-E653 VanDerWaalsContact C-N 3.31Å; E651-E653 PolarHBondContact O-N 2.84Å; E651-K654 WeakPolarHBondContact O-CB 3.46Å; E651-K654 PolarHBondContact O-N 2.78Å; E651-K654 IonicContact OE1-NZ 2.76Å; E651-K654 PolarHBondContact OE1-NZ 2.82Å; E651-E655 WeakPolarHBondContact O-CG 3.49Å; E651-E655 PolarHBondContact O-N 2.77Å |
| 652 | K | 92.1 | Very high | 94.7 | Very high | 171 Ų | 171 | 68.4 Ų | 68.4 | 74% | 0.743 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.4 | -38.2 | 175.3 | -173.4 | 178.2 | 179.3 | -179.8 | 0 | 113.1 | T650 K654 L656 | T650-K652 VanDerWaalsContact C-N 3.27Å; T650-K652 PolarHBondContact O-N 3.27Å; K652-K654 VanDerWaalsContact C-N 3.33Å; K652-L656 PolarHBondContact O-N 3.46Å |
| 653 | E | 92.8 | Very high | 94.5 | Very high | 48 Ų | 48 | 67.6 Ų | 67.6 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.1 | -37.9 | 175.3 | -77.4 | 171.7 | 159.5 | 0 | 0 | 111.3 | K642 R648 E649 T650 E651 | K642-E653 IonicContact NZ-OE1 2.65Å; K642-E653 PolarHBondContact NZ-OE1 2.97Å; K642-E653 IonicContact NZ-OE2 3.34Å; R648-E653 HydrophobicContact CB-CB 4Å; R648-E653 WeakPolarHBondContact CD-O 3.43Å; R648-E653 HydrophobicContact CG-CB 4.11Å; R648-E653 PolarHBondContact NH1-O 2.81Å; E649-E653 PolarHBondContact N-OE2 2.65Å; T650-E653 PolarHBondContact N-OE2 2.92Å; T650-E653 WeakPolarHBondContact O-CB 3.27Å; T650-E653 PolarHBondContact O-N 3.45Å; T650-E653 VanDerWaalsContact O-N 3.11Å; T650-E653 WeakPolarHBondContact OG1-CB 3.05Å; T650-E653 WeakPolarHBondContact OG1-CG 3.06Å; T650-E653 PolarHBondContact OG1-N 3.48Å; E651-E653 VanDerWaalsContact C-N 3.31Å; E651-E653 PolarHBondContact O-N 2.84Å |
| 654 | K | 93.3 | Very high | 94.1 | Very high | 80 Ų | 80 | 68.8 Ų | 68.8 | 35% | 0.348 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.6 | -47.8 | 178.8 | -63.7 | 173.5 | -168.3 | 166.3 | 0 | 111.3 | R648 T650 E651 K652 L656 A657 D658 | R648-K654 HydrophobicContact CB-CG 4.03Å; T650-K654 PolarHBondContact O-N 2.74Å; E651-K654 WeakPolarHBondContact O-CB 3.46Å; E651-K654 PolarHBondContact O-N 2.78Å; E651-K654 IonicContact OE1-NZ 2.76Å; E651-K654 PolarHBondContact OE1-NZ 2.82Å; K652-K654 VanDerWaalsContact C-N 3.33Å; K654-L656 VanDerWaalsContact C-N 3.28Å; K654-L656 PolarHBondContact O-N 2.86Å; K654-A657 CarbonylContact O-C 3.24Å; K654-A657 PolarHBondContact O-N 2.84Å; K654-D658 WeakPolarHBondContact O-CB 3.3Å; K654-D658 PolarHBondContact O-N 3.42Å |
| 655 | E | 92.9 | Very high | 93.3 | Very high | 129 Ų | 129 | 72.4 Ų | 72.4 | 60% | 0.603 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -56.5 | -39.7 | 177.3 | -73.8 | 172.2 | 179.7 | 0 | 0 | 112.5 | E651 A657 D658 | E651-E655 WeakPolarHBondContact O-CG 3.49Å; E651-E655 PolarHBondContact O-N 2.77Å; E655-A657 PolarHBondContact O-N 2.92Å; E655-D658 PolarHBondContact O-N 3.44Å |
| 656 | L | 91.6 | Very high | 92.7 | Very high | 61 Ų | 61 | 77.7 Ų | 77.7 | 32% | 0.319 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.2 | -35.3 | 176.9 | -173 | 84.7 | 0 | 0 | 0 | 112.1 | K652 K654 R683 | K652-L656 PolarHBondContact O-N 3.46Å; K654-L656 VanDerWaalsContact C-N 3.28Å; K654-L656 PolarHBondContact O-N 2.86Å; L656-R683 WeakPolarHBondContact O-CG 3.33Å; L656-R683 PolarHBondContact O-NE 2.79Å |
| 657 | A | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -97.3 | -7.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N635 F638 R648 K654 E655 F659 | N635-A657 PolarHBondContact ND2-O 3Å; F638-A657 HydrophobicContact CD1-CB 4.05Å; F638-A657 HydrophobicContact CE1-CB 4.02Å; F638-A657 WeakPolarHBondContact O-CB 3.49Å; R648-A657 VanDerWaalsContact CZ-CB 3.42Å; K654-A657 CarbonylContact O-C 3.24Å; K654-A657 PolarHBondContact O-N 2.84Å; E655-A657 PolarHBondContact O-N 2.92Å; A657-F659 WeakPolarHBondContact O-CD1 3.43Å; A657-F659 PolarHBondContact O-N 3.39Å |
| 658 | D | 95.1 | Very high | 91.9 | Very high | 106 Ų | 106 | 74.4 Ų | 74.4 | 57% | 0.567 | 38% | 0.375 | S | S | * | . | trans | -88.8 | 85.1 | 179.3 | -164.9 | 36 | 0 | 0 | 0 | 110.5 | R639 K654 E655 | R639-D658 IonicContact CZ-OD1 2.96Å; R639-D658 IonicContact NH1-OD1 3.64Å; R639-D658 PolarHBondContact NH1-OD1 3.37Å; K654-D658 WeakPolarHBondContact O-CB 3.3Å; K654-D658 PolarHBondContact O-N 3.42Å; E655-D658 PolarHBondContact O-N 3.44Å | ||
| 659 | F | 96.1 | Very high | 91.7 | Very high | 13 Ų | 13 | 73.5 Ų | 73.5 | 6% | 0.057 | 37% | 0.372 | C | S | . | . | trans | -152.8 | 148.9 | 178.3 | 67.2 | -87.5 | 0 | 0 | 0 | 111 | N635 F638 R639 A657 I661 F669 R683 L687 | N635-F659 PolarHBondContact ND2-O 3.04Å; F638-F659 HydrophobicContact CD1-CE1 4.36Å; F638-F659 HydrophobicContact CE1-CE1 4.05Å; F638-F659 HydrophobicContact CE1-CZ 4.45Å; R639-F659 PolarHBondContact NH2-O 2.78Å; A657-F659 WeakPolarHBondContact O-CD1 3.43Å; A657-F659 PolarHBondContact O-N 3.39Å; F659-I661 HydrophobicContact CE2-CG1 4.42Å; F659-F669 AromaticContact CD2-CE2 3.67Å; F659-F669 HydrophobicContact CD2-CE2 3.67Å; F659-F669 HydrophobicContact CD2-CZ 4.31Å; F659-F669 AromaticContact CE2-CE2 3.78Å; F659-F669 HydrophobicContact CE2-CE2 3.78Å; F659-F669 HydrophobicContact CE2-CZ 4.16Å; F659-R683 HydrophobicContact CD1-CB 4.17Å; F659-R683 HydrophobicContact CD1-CG 3.94Å; F659-R683 HydrophobicContact CE1-CB 3.63Å; F659-R683 HydrophobicContact CE1-CG 3.78Å; F659-R683 HydrophobicContact CE2-CB 4.25Å; F659-R683 HydrophobicContact CZ-CB 3.69Å; F659-R683 HydrophobicContact CZ-CG 4.35Å; F659-L687 HydrophobicContact CE2-CD2 4.34Å; F659-L687 HydrophobicContact CZ-CB 4.37Å; F659-L687 HydrophobicContact CZ-CD2 4.11Å | ||
| 660 | D | 94.9 | Very high | 91.3 | Very high | 57 Ų | 57 | 69.1 Ų | 69.1 | 31% | 0.305 | 36% | 0.358 | S | S | . | . | trans | -93.7 | 153.6 | 174.6 | -56.5 | -31.6 | 0 | 0 | 0 | 110.4 | R639 D663 D664 | R639-D660 IonicContact CZ-OD1 3.99Å; R639-D660 IonicContact NH1-OD1 3.8Å; R639-D660 IonicContact NH2-OD1 2.61Å; R639-D660 PolarHBondContact NH2-OD1 3.13Å; D660-D663 HydrophobicContact CB-CB 3.96Å; D660-D664 HydrophobicContact CB-CB 4.19Å | ||
| 661 | I | 94.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -90.3 | -49.4 | 177.3 | -59.8 | 87.4 | 0 | 0 | 0 | 110.6 | D575 L633 N635 F659 S667 F669 L687 | D575-I661 PolarHBondContact OD1-N 3.33Å; D575-I661 VanDerWaalsContact OD2-CD1 3.31Å; D575-I661 WeakPolarHBondContact OD2-CD1 3.48Å; D575-I661 PolarHBondContact OD2-N 2.81Å; L633-I661 HydrophobicContact CD2-CG2 3.85Å; L633-I661 HydrophobicContact CG-CG1 4.36Å; L633-I661 HydrophobicContact CG-CG2 4.21Å; N635-I661 HydrophobicContact CB-CD1 3.62Å; F659-I661 HydrophobicContact CE2-CG1 4.42Å; I661-S667 WeakPolarHBondContact O-CB 3.43Å; I661-S667 PolarHBondContact O-OG 2.95Å; I661-F669 HydrophobicContact CG2-CB 4.16Å; I661-F669 HydrophobicContact CG2-CD2 4.43Å; I661-L687 HydrophobicContact CD1-CD2 4.27Å; I661-L687 HydrophobicContact CG1-CD2 4.44Å |
| 662 | F | 92.9 | Very high | 90.3 | Very high | 36 Ų | 36 | 62.1 Ų | 62.1 | 16% | 0.158 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -118.2 | -24.5 | -171 | -50.4 | -63.4 | 0 | 0 | 0 | 113.1 | S570 A571 R572 D575 L633 | S570-F662 WeakPolarHBondContact O-CZ 3.28Å; A571-F662 HydrophobicContact CB-CE1 4.2Å; R572-F662 HydrophobicContact CB-CD2 4.08Å; R572-F662 HydrophobicContact CB-CE2 4.16Å; R572-F662 HydrophobicContact CG-CE2 4.29Å; D575-F662 WeakPolarHBondContact OD1-CA 3.34Å; D575-F662 VanDerWaalsContact OD1-CB 3.29Å; D575-F662 WeakPolarHBondContact OD1-CB 3.25Å; D575-F662 VanDerWaalsContact OD1-CD2 3.26Å; D575-F662 WeakPolarHBondContact OD1-CD2 3.45Å; D575-F662 PolarHBondContact OD1-N 3.29Å; L633-F662 HydrophobicContact CD2-CZ 4.11Å |
| 663 | D | 90.8 | Very high | 90 | Very high | 70 Ų | 70 | 56.2 Ų | 56.2 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -76.3 | -22.9 | -178.8 | -70.1 | -10.6 | 0 | 0 | 0 | 113.1 | S574 D575 D660 P665 | S574-D663 WeakPolarHBondContact CA-OD1 3.34Å; S574-D663 WeakPolarHBondContact CB-OD1 3.38Å; S574-D663 PolarHBondContact OG-OD1 3.01Å; S574-D663 PolarHBondContact OG-OD2 3.24Å; D575-D663 PolarHBondContact N-OD1 3.31Å; D575-D663 PolarHBondContact OD1-N 2.82Å; D660-D663 HydrophobicContact CB-CB 3.96Å; D663-P665 WeakPolarHBondContact O-CD 3.39Å |
| 664 | D | 87 | Confident | 89.7 | Confident | 63 Ų | 63 | 54.7 Ų | 54.7 | 34% | 0.337 | 29% | 0.289 | S | S | . | . | trans | -81.2 | 117.1 | 176.9 | 178.1 | 9.1 | 0 | 0 | 0 | 111 | D660 E666 S667 | D660-D664 HydrophobicContact CB-CB 4.19Å; D664-E666 PolarHBondContact O-N 3.02Å; D664-E666 PolarHBondContact OD1-N 2.82Å; D664-S667 WeakPolarHBondContact O-CB 3.31Å; D664-S667 PolarHBondContact O-N 3.27Å | ||
| 665 | P | 79.7 | Confident | 89.6 | Confident | 131 Ų | 131 | 55 Ų | 55 | 85% | 0.851 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -22.3 | 178.3 | 28.3 | -36 | 0 | 0 | 0 | 113.6 | D663 S667 | D663-P665 WeakPolarHBondContact O-CD 3.39Å; P665-S667 VanDerWaalsContact C-N 3.33Å |
| 666 | E | 83.4 | Confident | 89.6 | Confident | 175 Ų | 175 | 48.9 Ų | 48.9 | 82% | 0.818 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 10.2 | 174.6 | -60.9 | -165.4 | 142.4 | 0 | 0 | 112.3 | D664 | D664-E666 PolarHBondContact O-N 3.02Å; D664-E666 PolarHBondContact OD1-N 2.82Å |
| 667 | S | 86.8 | Confident | 89.8 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | trans | -53.4 | 126.4 | -177.2 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | I661 D664 P665 F669 | I661-S667 WeakPolarHBondContact O-CB 3.43Å; I661-S667 PolarHBondContact O-OG 2.95Å; D664-S667 WeakPolarHBondContact O-CB 3.31Å; D664-S667 PolarHBondContact O-N 3.27Å; P665-S667 VanDerWaalsContact C-N 3.33Å; S667-F669 PolarHBondContact O-N 2.99Å; S667-F669 VanDerWaalsContact O-N 3.13Å; S667-F669 WeakPolarHBondContact OG-CB 3.23Å; S667-F669 WeakPolarHBondContact OG-CD2 3.42Å; S667-F669 PolarHBondContact OG-N 3.2Å; S667-F669 VanDerWaalsContact OG-N 3.12Å | ||
| 668 | P | 90.3 | Very high | 89.9 | Confident | 43 Ų | 43 | 52.9 Ų | 52.9 | 28% | 0.279 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -5.6 | 174.9 | 31.9 | -35.5 | 0 | 0 | 0 | 111.9 | S670 N673 Y676 A680 | P668-S670 VanDerWaalsContact C-N 3.34Å; P668-N673 WeakPolarHBondContact O-CB 3.47Å; P668-N673 PolarHBondContact O-ND2 3.31Å; P668-Y676 PolarHBondContact O-OH 3.11Å; P668-A680 HydrophobicContact CB-CB 4.02Å; P668-A680 HydrophobicContact CG-CB 3.72Å |
| 669 | F | 93.1 | Very high | 89.9 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 2% | 0.022 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 6.7 | -172.6 | -50.4 | -55.6 | 0 | 0 | 0 | 113.8 | R196 F659 I661 S667 Y676 A680 R683 L684 | R196-F669 VanDerWaalsContact CD-O 3.29Å; R196-F669 WeakPolarHBondContact CD-O 3.44Å; R196-F669 HydrophobicContact CG-CB 4.41Å; R196-F669 PolarHBondContact NH1-O 3.38Å; F659-F669 AromaticContact CD2-CE2 3.67Å; F659-F669 HydrophobicContact CD2-CE2 3.67Å; F659-F669 HydrophobicContact CD2-CZ 4.31Å; F659-F669 AromaticContact CE2-CE2 3.78Å; F659-F669 HydrophobicContact CE2-CE2 3.78Å; F659-F669 HydrophobicContact CE2-CZ 4.16Å; I661-F669 HydrophobicContact CG2-CB 4.16Å; I661-F669 HydrophobicContact CG2-CD2 4.43Å; S667-F669 PolarHBondContact O-N 2.99Å; S667-F669 VanDerWaalsContact O-N 3.13Å; S667-F669 WeakPolarHBondContact OG-CB 3.23Å; S667-F669 WeakPolarHBondContact OG-CD2 3.42Å; S667-F669 PolarHBondContact OG-N 3.2Å; S667-F669 VanDerWaalsContact OG-N 3.12Å; F669-Y676 AromaticContact CD1-CE2 3.69Å; F669-Y676 HydrophobicContact CD1-CE2 3.69Å; F669-Y676 AromaticContact CE1-CE2 3.97Å; F669-Y676 HydrophobicContact CE1-CE2 3.97Å; F669-A680 HydrophobicContact CE1-CB 4.12Å; F669-A680 WeakPolarHBondContact CE1-O 3.33Å; F669-A680 HydrophobicContact CZ-CB 4.42Å; F669-R683 HydrophobicContact CZ-CB 4.3Å; F669-L684 HydrophobicContact CD1-CB 4.2Å; F669-L684 HydrophobicContact CD1-CD2 3.82Å; F669-L684 HydrophobicContact CE1-CB 3.69Å; F669-L684 HydrophobicContact CE1-CD2 4.15Å; F669-L684 HydrophobicContact CE1-CG 4.47Å; F669-L684 HydrophobicContact CZ-CB 4.25Å |
| 670 | S | 87.4 | Confident | 89.9 | Confident | 56 Ų | 56 | 52.2 Ų | 52.2 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | trans | -53.5 | 144.2 | 172.1 | 176.9 | 0 | 0 | 0 | 0 | 112.1 | P668 F672 N673 | P668-S670 VanDerWaalsContact C-N 3.34Å; S670-F672 PolarHBondContact O-N 3.48Å; S670-F672 PolarHBondContact OG-N 3.03Å; S670-N673 PolarHBondContact O-N 3.2Å | ||
| 671 | T | 83.9 | Confident | 90.1 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.043 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.2 | 179.8 | -56 | 0 | 0 | 0 | 0 | 111.4 | R196 F393 M412 E413 | R196-T671 PolarHBondContact NH1-OG1 3.4Å; R196-T671 PolarHBondContact NH2-OG1 3.04Å; F393-T671 HydrophobicContact CE1-CG2 3.98Å; F393-T671 WeakPolarHBondContact CE1-O 3.32Å; F393-T671 HydrophobicContact CZ-CG2 3.73Å; M412-T671 HydrophobicContact CB-CG2 4.01Å; M412-T671 HydrophobicContact CG-CG2 3.94Å; E413-T671 WeakPolarHBondContact OE1-CB 3.45Å; E413-T671 PolarHBondContact OE1-OG1 2.82Å |
| 672 | F | 82.1 | Confident | 90.2 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 15% | 0.154 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -10 | 179 | -75.6 | -68.2 | 0 | 0 | 0 | 114.9 | L396 R399 V400 M412 S670 F674 | L396-F672 HydrophobicContact CB-CE1 4.3Å; R399-F672 HydrophobicContact CB-CD1 4.34Å; R399-F672 HydrophobicContact CB-CE1 3.69Å; R399-F672 HydrophobicContact CB-CZ 3.94Å; R399-F672 HydrophobicContact CG-CZ 4.34Å; V400-F672 HydrophobicContact CG2-CD1 4.05Å; V400-F672 HydrophobicContact CG2-CE1 4.44Å; M412-F672 HydrophobicContact CB-CD2 3.86Å; M412-F672 HydrophobicContact CB-CE1 4.38Å; M412-F672 HydrophobicContact CB-CE2 3.44Å; M412-F672 VanDerWaalsContact CB-CE2 3.44Å; M412-F672 HydrophobicContact CB-CG 4.5Å; M412-F672 HydrophobicContact CB-CZ 3.72Å; M412-F672 HydrophobicContact CE-CD1 3.37Å; M412-F672 HydrophobicContact CE-CE1 3.02Å; M412-F672 HydrophobicContact CE-CE2 4.38Å; M412-F672 HydrophobicContact CE-CG 4.19Å; M412-F672 HydrophobicContact CE-CZ 3.6Å; M412-F672 HydrophobicContact CG-CE1 4.46Å; M412-F672 HydrophobicContact CG-CE2 4.32Å; M412-F672 HydrophobicContact CG-CZ 4.09Å; M412-F672 VanDerWaalsContact N-CE2 3.29Å; M412-F672 HydrophobicContact SD-CD1 4.2Å; M412-F672 HydrophobicContact SD-CE1 3.36Å; M412-F672 WeakPolarHBondContact SD-CE1 3.14Å; M412-F672 HydrophobicContact SD-CE2 4.05Å; M412-F672 HydrophobicContact SD-CZ 3.25Å; M412-F672 WeakPolarHBondContact SD-CZ 3.45Å; S670-F672 PolarHBondContact O-N 3.48Å; S670-F672 PolarHBondContact OG-N 3.03Å; F672-F674 VanDerWaalsContact O-CD2 3.29Å; F672-F674 WeakPolarHBondContact O-CD2 3.39Å |
| 673 | N | 86.1 | Confident | 90.5 | Very high | 47 Ų | 47 | 52.5 Ų | 52.5 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | trans | -84.4 | 125.1 | -177 | -173.1 | 25.1 | 0 | 0 | 0 | 111.5 | P668 S670 Q675 | P668-N673 WeakPolarHBondContact O-CB 3.47Å; P668-N673 PolarHBondContact O-ND2 3.31Å; S670-N673 PolarHBondContact O-N 3.2Å; N673-Q675 PolarHBondContact ND2-O 2.98Å; N673-Q675 PolarHBondContact OD1-N 3.23Å; N673-Q675 VanDerWaalsContact OD1-N 3.12Å; N673-Q675 PolarHBondContact OD1-O 3.24Å | ||
| 674 | F | 86.9 | Confident | 90.8 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 7% | 0.066 | 27% | 0.267 | C | S | . | . | trans | -113.4 | 9.2 | 179.4 | -76.7 | -89.3 | 0 | 0 | 0 | 113.2 | F195 W228 P259 F291 I295 F393 V400 F672 | F195-F674 AromaticContact CD1-CD1 3.82Å; F195-F674 HydrophobicContact CD1-CD1 3.82Å; F195-F674 HydrophobicContact CD1-CE1 4.05Å; F195-F674 HydrophobicContact CD2-CB 4.46Å; F195-F674 HydrophobicContact CD2-CD1 4.3Å; F195-F674 WeakPolarHBondContact CD2-O 3.34Å; F195-F674 AromaticContact CE1-CD1 3.64Å; F195-F674 HydrophobicContact CE1-CD1 3.64Å; F195-F674 AromaticContact CE1-CE1 4Å; F195-F674 HydrophobicContact CE1-CE1 4Å; F195-F674 HydrophobicContact CE2-CB 4.32Å; F195-F674 HydrophobicContact CE2-CD1 4.15Å; F195-F674 WeakPolarHBondContact CE2-O 3.42Å; F195-F674 HydrophobicContact CG-CD1 4.15Å; F195-F674 AromaticContact CZ-CD1 3.82Å; F195-F674 HydrophobicContact CZ-CD1 3.82Å; W228-F674 AromaticContact CH2-CE1 3.65Å; W228-F674 HydrophobicContact CH2-CE1 3.65Å; W228-F674 AromaticContact CH2-CZ 3.94Å; W228-F674 HydrophobicContact CH2-CZ 3.94Å; W228-F674 AromaticContact CZ3-CE1 3.74Å; W228-F674 HydrophobicContact CZ3-CE1 3.74Å; W228-F674 HydrophobicContact CZ3-CZ 4.35Å; P259-F674 WeakPolarHBondContact CD-O 3.3Å; P259-F674 HydrophobicContact CG-CB 4.13Å; P259-F674 VanDerWaalsContact CG-O 3.25Å; P259-F674 WeakPolarHBondContact CG-O 2.9Å; F291-F674 HydrophobicContact CE2-CZ 4.45Å; F291-F674 HydrophobicContact CZ-CE1 4.39Å; F291-F674 HydrophobicContact CZ-CZ 4.27Å; I295-F674 HydrophobicContact CD1-CD1 4.33Å; I295-F674 HydrophobicContact CD1-CE1 3.92Å; F393-F674 HydrophobicContact CB-CZ 4.26Å; F393-F674 AromaticContact CD1-CE2 3.49Å; F393-F674 HydrophobicContact CD1-CE2 3.49Å; F393-F674 VanDerWaalsContact CD1-CE2 3.49Å; F393-F674 AromaticContact CD1-CZ 3.39Å; F393-F674 HydrophobicContact CD1-CZ 3.39Å; F393-F674 HydrophobicContact CD2-CZ 4.03Å; F393-F674 AromaticContact CE1-CE2 3.71Å; F393-F674 HydrophobicContact CE1-CE2 3.71Å; F393-F674 AromaticContact CE1-CZ 3.61Å; F393-F674 HydrophobicContact CE1-CZ 3.61Å; F393-F674 HydrophobicContact CE2-CZ 4.23Å; F393-F674 HydrophobicContact CG-CE2 4.14Å; F393-F674 AromaticContact CG-CZ 3.61Å; F393-F674 HydrophobicContact CG-CZ 3.61Å; F393-F674 HydrophobicContact CZ-CZ 4.03Å; V400-F674 HydrophobicContact CG1-CD2 4.03Å; V400-F674 HydrophobicContact CG1-CE2 4.18Å; V400-F674 HydrophobicContact CG2-CE2 4.48Å; F672-F674 VanDerWaalsContact O-CD2 3.29Å; F672-F674 WeakPolarHBondContact O-CD2 3.39Å | ||
| 675 | Q | 90.5 | Very high | 91.4 | Very high | 88 Ų | 88 | 46.7 Ų | 46.7 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | trans | -124.3 | 117.8 | 175.1 | -174 | -178.5 | -2 | 0 | 0 | 110.1 | S256 N258 N673 | S256-Q675 PolarHBondContact O-NE2 3.3Å; N258-Q675 HydrophobicContact CB-CG 4.45Å; N673-Q675 PolarHBondContact ND2-O 2.98Å; N673-Q675 PolarHBondContact OD1-N 3.23Å; N673-Q675 VanDerWaalsContact OD1-N 3.12Å; N673-Q675 PolarHBondContact OD1-O 3.24Å | ||
| 676 | Y | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -116 | 115.1 | -178.4 | -85 | 53.8 | 0 | 0 | 0 | 109 | F195 R196 V199 V255 S256 P668 F669 A680 L684 | F195-Y676 HydrophobicContact CB-CD1 4.09Å; F195-Y676 HydrophobicContact CB-CE1 3.62Å; F195-Y676 HydrophobicContact CD2-CD1 4.13Å; F195-Y676 HydrophobicContact CD2-CE1 4.44Å; R196-Y676 WeakPolarHBondContact CA-OH 3.12Å; R196-Y676 PolarHBondContact N-OH 2.95Å; V199-Y676 HydrophobicContact CG2-CD2 4.21Å; V199-Y676 HydrophobicContact CG2-CE2 4.34Å; V255-Y676 PolarHBondContact O-N 3.04Å; S256-Y676 WeakPolarHBondContact CA-O 3.46Å; P668-Y676 PolarHBondContact O-OH 3.11Å; F669-Y676 AromaticContact CD1-CE2 3.69Å; F669-Y676 HydrophobicContact CD1-CE2 3.69Å; F669-Y676 AromaticContact CE1-CE2 3.97Å; F669-Y676 HydrophobicContact CE1-CE2 3.97Å; Y676-A680 HydrophobicContact CD2-CB 4.31Å; Y676-L684 HydrophobicContact CE2-CD2 4.01Å | ||
| 677 | S | 95.6 | Very high | 93 | Very high | 65 Ų | 65 | 34.4 Ų | 34.4 | 46% | 0.455 | 19% | 0.186 | S | C | . | . | trans | -56.7 | 155.5 | 167.7 | 71.2 | 0 | 0 | 0 | 0 | 109.7 | E679 A680 F681 | S677-E679 PolarHBondContact O-N 3.47Å; S677-E679 VanDerWaalsContact O-N 3.14Å; S677-A680 PolarHBondContact O-N 2.98Å; S677-A680 VanDerWaalsContact O-N 3.11Å; S677-A680 WeakPolarHBondContact OG-CB 3.49Å; S677-A680 PolarHBondContact OG-N 3.43Å; S677-A680 VanDerWaalsContact OG-N 3.07Å; S677-F681 WeakPolarHBondContact O-CB 3.36Å; S677-F681 PolarHBondContact O-N 3.41Å | ||
| 678 | N | 96.5 | Very high | 93.6 | Very high | 80 Ų | 80 | 33.6 Ų | 33.6 | 43% | 0.428 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -56.5 | -33.1 | 176.8 | -68 | -6.4 | 0 | 0 | 0 | 111.6 | M252 T682 | M252-N678 HydrophobicContact CG-CB 4.38Å; M252-N678 HydrophobicContact SD-CB 4.08Å; N678-T682 VanDerWaalsContact O-CB 3.27Å; N678-T682 WeakPolarHBondContact O-CB 3.46Å; N678-T682 PolarHBondContact O-N 2.91Å; N678-T682 PolarHBondContact O-OG1 3.35Å |
| 679 | E | 96 | Very high | 94 | Very high | 100 Ų | 100 | 32.7 Ų | 32.7 | 47% | 0.467 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.3 | -49.8 | 175.3 | -176.8 | 172.6 | -175.9 | 0 | 0 | 112.1 | S677 F681 T682 R683 | S677-E679 PolarHBondContact O-N 3.47Å; S677-E679 VanDerWaalsContact O-N 3.14Å; E679-F681 VanDerWaalsContact C-N 3.31Å; E679-F681 PolarHBondContact O-N 2.99Å; E679-T682 PolarHBondContact O-N 3.25Å; E679-R683 HydrophobicContact CG-CG 4.48Å; E679-R683 WeakPolarHBondContact O-CB 3.46Å; E679-R683 WeakPolarHBondContact O-CG 3.44Å; E679-R683 PolarHBondContact O-N 2.96Å; E679-R683 IonicContact OE1-CZ 3.4Å; E679-R683 VanDerWaalsContact OE1-CZ 3.28Å; E679-R683 IonicContact OE1-NE 3.57Å; E679-R683 PolarHBondContact OE1-NE 3.42Å; E679-R683 IonicContact OE1-NH2 3.86Å; E679-R683 PolarHBondContact OE1-NH2 3.19Å |
| 680 | A | 96.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P668 F669 Y676 S677 L684 | P668-A680 HydrophobicContact CB-CB 4.02Å; P668-A680 HydrophobicContact CG-CB 3.72Å; F669-A680 HydrophobicContact CE1-CB 4.12Å; F669-A680 WeakPolarHBondContact CE1-O 3.33Å; F669-A680 HydrophobicContact CZ-CB 4.42Å; Y676-A680 HydrophobicContact CD2-CB 4.31Å; S677-A680 PolarHBondContact O-N 2.98Å; S677-A680 VanDerWaalsContact O-N 3.11Å; S677-A680 WeakPolarHBondContact OG-CB 3.49Å; S677-A680 PolarHBondContact OG-N 3.43Å; S677-A680 VanDerWaalsContact OG-N 3.07Å; A680-L684 PolarHBondContact O-N 3.05Å |
| 681 | F | 97.9 | Very high | 94.8 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.8 | -53.1 | 173.6 | -178.3 | -82.2 | 0 | 0 | 0 | 111.1 | V199 L251 M252 V255 S677 E679 R683 L684 H685 | V199-F681 HydrophobicContact CB-CD2 4.31Å; V199-F681 HydrophobicContact CB-CE2 4.32Å; V199-F681 HydrophobicContact CG1-CD2 3.69Å; V199-F681 HydrophobicContact CG1-CE2 3.85Å; V199-F681 HydrophobicContact CG1-CG 4.13Å; V199-F681 HydrophobicContact CG1-CZ 4.39Å; V199-F681 HydrophobicContact CG2-CD2 3.62Å; V199-F681 HydrophobicContact CG2-CE2 3.73Å; L251-F681 HydrophobicContact CB-CE2 4.42Å; L251-F681 HydrophobicContact CB-CZ 4.45Å; L251-F681 HydrophobicContact CD2-CE2 4.04Å; L251-F681 HydrophobicContact CD2-CZ 4.31Å; L251-F681 HydrophobicContact CG-CE2 3.95Å; L251-F681 HydrophobicContact CG-CZ 4.38Å; M252-F681 HydrophobicContact CB-CD1 3.61Å; M252-F681 HydrophobicContact CB-CD2 4.18Å; M252-F681 HydrophobicContact CB-CE1 3.63Å; M252-F681 HydrophobicContact CB-CE2 4.16Å; M252-F681 HydrophobicContact CB-CG 3.91Å; M252-F681 HydrophobicContact CB-CZ 3.9Å; M252-F681 HydrophobicContact CG-CB 4.01Å; M252-F681 HydrophobicContact CG-CD1 3.5Å; M252-F681 VanDerWaalsContact CG-CD1 3.5Å; M252-F681 HydrophobicContact CG-CD2 4.35Å; M252-F681 HydrophobicContact CG-CE1 4.05Å; M252-F681 HydrophobicContact CG-CG 3.68Å; M252-F681 HydrophobicContact SD-CD1 3.74Å; M252-F681 HydrophobicContact SD-CE1 4.34Å; M252-F681 HydrophobicContact SD-CG 4.39Å; V255-F681 HydrophobicContact CG2-CD2 3.68Å; V255-F681 HydrophobicContact CG2-CE2 4.24Å; S677-F681 WeakPolarHBondContact O-CB 3.36Å; S677-F681 PolarHBondContact O-N 3.41Å; E679-F681 VanDerWaalsContact C-N 3.31Å; E679-F681 PolarHBondContact O-N 2.99Å; F681-R683 VanDerWaalsContact C-N 3.35Å; F681-R683 PolarHBondContact O-N 2.96Å; F681-L684 PolarHBondContact O-N 3.48Å; F681-H685 HydrophobicContact CD1-CB 4.16Å; F681-H685 HydrophobicContact CE1-CB 3.91Å; F681-H685 WeakPolarHBondContact O-CB 3.3Å; F681-H685 PolarHBondContact O-N 3.42Å |
| 682 | T | 97.6 | Very high | 95.5 | Very high | 40 Ų | 40 | 29.9 Ų | 29.9 | 25% | 0.245 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | -177.1 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | N678 E679 L684 H685 D686 | N678-T682 VanDerWaalsContact O-CB 3.27Å; N678-T682 WeakPolarHBondContact O-CB 3.46Å; N678-T682 PolarHBondContact O-N 2.91Å; N678-T682 PolarHBondContact O-OG1 3.35Å; E679-T682 PolarHBondContact O-N 3.25Å; T682-L684 PolarHBondContact O-N 2.98Å; T682-H685 PolarHBondContact O-N 3.34Å; T682-D686 VanDerWaalsContact CG2-OD2 3.26Å; T682-D686 WeakPolarHBondContact CG2-OD2 3.24Å; T682-D686 WeakPolarHBondContact O-CB 3.47Å; T682-D686 PolarHBondContact O-N 3.14Å |
| 683 | R | 97.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 30.6 Ų | 30.6 | 21% | 0.208 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.4 | -52.9 | 177.5 | -79 | -179 | -178.7 | -164.5 | -0.6 | 112.2 | L656 F659 F669 E679 F681 L687 | L656-R683 WeakPolarHBondContact O-CG 3.33Å; L656-R683 PolarHBondContact O-NE 2.79Å; F659-R683 HydrophobicContact CD1-CB 4.17Å; F659-R683 HydrophobicContact CD1-CG 3.94Å; F659-R683 HydrophobicContact CE1-CB 3.63Å; F659-R683 HydrophobicContact CE1-CG 3.78Å; F659-R683 HydrophobicContact CE2-CB 4.25Å; F659-R683 HydrophobicContact CZ-CB 3.69Å; F659-R683 HydrophobicContact CZ-CG 4.35Å; F669-R683 HydrophobicContact CZ-CB 4.3Å; E679-R683 HydrophobicContact CG-CG 4.48Å; E679-R683 WeakPolarHBondContact O-CB 3.46Å; E679-R683 WeakPolarHBondContact O-CG 3.44Å; E679-R683 PolarHBondContact O-N 2.96Å; E679-R683 IonicContact OE1-CZ 3.4Å; E679-R683 VanDerWaalsContact OE1-CZ 3.28Å; E679-R683 IonicContact OE1-NE 3.57Å; E679-R683 PolarHBondContact OE1-NE 3.42Å; E679-R683 IonicContact OE1-NH2 3.86Å; E679-R683 PolarHBondContact OE1-NH2 3.19Å; F681-R683 VanDerWaalsContact C-N 3.35Å; F681-R683 PolarHBondContact O-N 2.96Å; R683-L687 WeakPolarHBondContact O-CB 3.37Å; R683-L687 PolarHBondContact O-N 2.79Å |
| 684 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.2 | -39.6 | -177.6 | -179.4 | 59.7 | 0 | 0 | 0 | 112.9 | R196 V199 L633 F669 Y676 A680 F681 T682 M688 | R196-L684 HydrophobicContact CB-CD2 4.27Å; R196-L684 HydrophobicContact CG-CD2 3.85Å; R196-L684 WeakPolarHBondContact O-CD2 3.49Å; V199-L684 HydrophobicContact CB-CD2 4.03Å; V199-L684 HydrophobicContact CB-CG 4.48Å; V199-L684 HydrophobicContact CG1-CB 4.07Å; V199-L684 HydrophobicContact CG1-CD2 4.1Å; V199-L684 HydrophobicContact CG1-CG 4.11Å; L633-L684 HydrophobicContact CD1-CD1 3.54Å; L633-L684 HydrophobicContact CD2-CD1 4.18Å; F669-L684 HydrophobicContact CD1-CB 4.2Å; F669-L684 HydrophobicContact CD1-CD2 3.82Å; F669-L684 HydrophobicContact CE1-CB 3.69Å; F669-L684 HydrophobicContact CE1-CD2 4.15Å; F669-L684 HydrophobicContact CE1-CG 4.47Å; F669-L684 HydrophobicContact CZ-CB 4.25Å; Y676-L684 HydrophobicContact CE2-CD2 4.01Å; A680-L684 PolarHBondContact O-N 3.05Å; F681-L684 PolarHBondContact O-N 3.48Å; T682-L684 PolarHBondContact O-N 2.98Å; L684-M688 HydrophobicContact CD1-CG 4.49Å; L684-M688 PolarHBondContact O-N 3.01Å |
| 685 | H | 98.7 | Very high | 97.4 | Very high | 11 Ų | 11 | 31.3 Ų | 31.3 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.1 | -54.5 | 175.7 | 169.6 | -79.7 | 0 | 0 | 0 | 110.7 | V199 S202 G203 N248 F681 T682 L687 M688 E689 | V199-H685 HydrophobicContact CG1-CB 4.13Å; S202-H685 PolarHBondContact OG-CD2 3.09Å; G203-H685 WeakPolarHBondContact CA-O 3.34Å; N248-H685 PolarHBondContact ND2-CD2 2.87Å; N248-H685 PolarHBondContact ND2-NE2 2.67Å; F681-H685 HydrophobicContact CD1-CB 4.16Å; F681-H685 HydrophobicContact CE1-CB 3.91Å; F681-H685 WeakPolarHBondContact O-CB 3.3Å; F681-H685 PolarHBondContact O-N 3.42Å; T682-H685 PolarHBondContact O-N 3.34Å; H685-L687 VanDerWaalsContact C-N 3.33Å; H685-L687 PolarHBondContact O-N 3Å; H685-M688 PolarHBondContact O-N 3.14Å; H685-E689 IonicContact CE1-OE2 3.18Å; H685-E689 PolarHBondContact CE1-OE2 2.81Å; H685-E689 IonicContact ND1-OE2 3.42Å; H685-E689 WeakPolarHBondContact O-CB 3.19Å; H685-E689 PolarHBondContact O-N 3.44Å |
| 686 | D | 98.6 | Very high | 97.8 | Very high | 48 Ų | 48 | 28.6 Ų | 28.6 | 26% | 0.257 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69.9 | -33 | -175.3 | -67.8 | 1.7 | 0 | 0 | 0 | 111.4 | F638 T682 E689 F690 | F638-D686 HydrophobicContact CE2-CB 4.03Å; F638-D686 HydrophobicContact CZ-CB 3.7Å; T682-D686 VanDerWaalsContact CG2-OD2 3.26Å; T682-D686 WeakPolarHBondContact CG2-OD2 3.24Å; T682-D686 WeakPolarHBondContact O-CB 3.47Å; T682-D686 PolarHBondContact O-N 3.14Å; D686-E689 PolarHBondContact O-N 2.64Å; D686-F690 WeakPolarHBondContact O-CB 3.32Å; D686-F690 PolarHBondContact O-N 2.95Å |
| 687 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.7 | -51 | 172.4 | 171.3 | 61.5 | 0 | 0 | 0 | 111.2 | L633 V634 N635 F638 F659 I661 R683 H685 F690 N691 | L633-L687 HydrophobicContact CD1-CD2 3.93Å; V634-L687 WeakPolarHBondContact O-CD1 3.28Å; N635-L687 HydrophobicContact CB-CD1 4.07Å; N635-L687 HydrophobicContact CB-CD2 4.05Å; F638-L687 HydrophobicContact CB-CD1 3.44Å; F638-L687 VanDerWaalsContact CB-CD1 3.44Å; F638-L687 HydrophobicContact CD1-CB 3.93Å; F638-L687 HydrophobicContact CD1-CD1 3.63Å; F638-L687 HydrophobicContact CD1-CG 4.39Å; F638-L687 HydrophobicContact CE1-CB 4.01Å; F638-L687 HydrophobicContact CG-CB 4.37Å; F638-L687 HydrophobicContact CG-CD1 3.66Å; F659-L687 HydrophobicContact CE2-CD2 4.34Å; F659-L687 HydrophobicContact CZ-CB 4.37Å; F659-L687 HydrophobicContact CZ-CD2 4.11Å; I661-L687 HydrophobicContact CD1-CD2 4.27Å; I661-L687 HydrophobicContact CG1-CD2 4.44Å; R683-L687 WeakPolarHBondContact O-CB 3.37Å; R683-L687 PolarHBondContact O-N 2.79Å; H685-L687 VanDerWaalsContact C-N 3.33Å; H685-L687 PolarHBondContact O-N 3Å; L687-F690 PolarHBondContact O-N 2.8Å; L687-N691 WeakPolarHBondContact O-CB 3.34Å; L687-N691 VanDerWaalsContact O-CG 3.28Å; L687-N691 PolarHBondContact O-N 2.76Å; L687-N691 PolarHBondContact O-OD1 3.28Å |
| 688 | M | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -76.7 | -29.5 | -176.4 | -70.1 | -53.8 | -51.4 | 0 | 0 | 113 | G200 V204 F567 F569 L633 L684 H685 T692 | G200-M688 VanDerWaalsContact O-CB 3.31Å; G200-M688 WeakPolarHBondContact O-CB 3.48Å; V204-M688 HydrophobicContact CG2-CB 4.03Å; V204-M688 HydrophobicContact CG2-CE 3.89Å; F567-M688 HydrophobicContact CD1-CE 4.31Å; F569-M688 HydrophobicContact CE1-CE 3.9Å; F569-M688 HydrophobicContact CE1-CG 4.04Å; F569-M688 HydrophobicContact CE1-SD 4.26Å; L633-M688 HydrophobicContact CD1-CG 3.96Å; L633-M688 HydrophobicContact CD1-SD 3.48Å; L633-M688 WeakPolarHBondContact CD1-SD 3.32Å; L684-M688 HydrophobicContact CD1-CG 4.49Å; L684-M688 PolarHBondContact O-N 3.01Å; H685-M688 PolarHBondContact O-N 3.14Å; M688-T692 WeakPolarHBondContact O-CB 3.4Å; M688-T692 PolarHBondContact O-N 2.8Å; M688-T692 VanDerWaalsContact O-N 3.16Å; M688-T692 PolarHBondContact O-OG1 2.86Å |
| 689 | E | 98.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 28.8 Ų | 28.8 | 11% | 0.112 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.8 | -51.8 | 166.5 | -179.3 | -177.5 | 179.3 | 0 | 0 | 110.5 | G203 K206 A207 H685 D686 T692 L693 | G203-E689 WeakPolarHBondContact O-CA 3.41Å; K206-E689 HydrophobicContact CD-CG 4.47Å; K206-E689 WeakPolarHBondContact CD-OE2 3.43Å; K206-E689 WeakPolarHBondContact CE-OE1 3.15Å; K206-E689 WeakPolarHBondContact CE-OE2 3.12Å; K206-E689 IonicContact NZ-OE1 2.8Å; K206-E689 PolarHBondContact NZ-OE1 2.71Å; K206-E689 IonicContact NZ-OE2 3.76Å; K206-E689 PolarHBondContact NZ-OE2 2.79Å; A207-E689 HydrophobicContact CB-CG 4.13Å; H685-E689 IonicContact CE1-OE2 3.18Å; H685-E689 PolarHBondContact CE1-OE2 2.81Å; H685-E689 IonicContact ND1-OE2 3.42Å; H685-E689 WeakPolarHBondContact O-CB 3.19Å; H685-E689 PolarHBondContact O-N 3.44Å; D686-E689 PolarHBondContact O-N 2.64Å; E689-T692 PolarHBondContact O-N 2.79Å; E689-L693 HydrophobicContact CG-CD1 4.02Å; E689-L693 WeakPolarHBondContact O-CG 3.33Å; E689-L693 PolarHBondContact O-N 2.76Å |
| 690 | F | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.5 | -52.2 | 179.2 | 172.6 | -85.3 | 0 | 0 | 0 | 111.6 | N637 F638 F641 A643 D686 L687 T692 L693 N694 | N637-F690 HydrophobicContact CB-CE1 3.83Å; N637-F690 HydrophobicContact CB-CZ 3.97Å; F638-F690 HydrophobicContact CB-CD1 3.72Å; F638-F690 HydrophobicContact CB-CE1 4.12Å; F638-F690 HydrophobicContact CB-CG 4.22Å; F638-F690 HydrophobicContact CD2-CB 3.47Å; F638-F690 VanDerWaalsContact CD2-CB 3.47Å; F638-F690 AromaticContact CD2-CD1 3.94Å; F638-F690 HydrophobicContact CD2-CD1 3.94Å; F638-F690 HydrophobicContact CD2-CD2 4.03Å; F638-F690 AromaticContact CD2-CG 3.54Å; F638-F690 HydrophobicContact CD2-CG 3.54Å; F638-F690 HydrophobicContact CE2-CB 3.93Å; F638-F690 HydrophobicContact CE2-CG 4.38Å; F638-F690 HydrophobicContact CG-CB 4.41Å; F638-F690 HydrophobicContact CG-CD1 4.31Å; F638-F690 HydrophobicContact CG-CG 4.35Å; F641-F690 HydrophobicContact CB-CE2 3.6Å; F641-F690 HydrophobicContact CB-CZ 3.7Å; A643-F690 VanDerWaalsContact C-CE2 3.46Å; D686-F690 WeakPolarHBondContact O-CB 3.32Å; D686-F690 PolarHBondContact O-N 2.95Å; L687-F690 PolarHBondContact O-N 2.8Å; F690-T692 PolarHBondContact O-N 2.79Å; F690-L693 PolarHBondContact O-N 2.79Å; F690-L693 VanDerWaalsContact O-N 3.11Å; F690-N694 HydrophobicContact CD1-CB 4.33Å; F690-N694 HydrophobicContact CE1-CB 3.91Å; F690-N694 HydrophobicContact CZ-CB 4.13Å; F690-N694 VanDerWaalsContact O-CB 3.23Å; F690-N694 WeakPolarHBondContact O-CB 3.39Å; F690-N694 PolarHBondContact O-N 2.84Å |
| 691 | N | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.4 | -39.7 | -178.1 | -75.2 | -1.6 | 0 | 0 | 0 | 110.8 | V634 L687 N695 | V634-N691 PolarHBondContact O-ND2 2.85Å; L687-N691 WeakPolarHBondContact O-CB 3.34Å; L687-N691 VanDerWaalsContact O-CG 3.28Å; L687-N691 PolarHBondContact O-N 2.76Å; L687-N691 PolarHBondContact O-OD1 3.28Å; N691-N695 PolarHBondContact O-N 2.89Å; N691-N695 PolarHBondContact O-ND2 3.02Å |
| 692 | T | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.1 | -47.7 | 177.3 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | A207 L208 F567 M688 E689 F690 N695 L696 | A207-T692 HydrophobicContact CB-CG2 3.65Å; L208-T692 HydrophobicContact CD2-CG2 3.71Å; L208-T692 HydrophobicContact CG-CG2 4.08Å; F567-T692 HydrophobicContact CE1-CG2 4.25Å; F567-T692 HydrophobicContact CZ-CG2 4.26Å; M688-T692 WeakPolarHBondContact O-CB 3.4Å; M688-T692 PolarHBondContact O-N 2.8Å; M688-T692 VanDerWaalsContact O-N 3.16Å; M688-T692 PolarHBondContact O-OG1 2.86Å; E689-T692 PolarHBondContact O-N 2.79Å; F690-T692 PolarHBondContact O-N 2.79Å; T692-N695 PolarHBondContact O-N 3.47Å; T692-L696 PolarHBondContact O-N 2.97Å |
| 693 | L | 98.7 | Very high | 98.5 | Very high | 49 Ų | 49 | 27.5 Ų | 27.5 | 26% | 0.257 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -66.6 | -37 | 179.2 | -68.4 | 174.6 | 0 | 0 | 0 | 112.5 | A207 P644 E689 F690 N695 L696 | A207-L693 HydrophobicContact CB-CD2 3.92Å; A207-L693 HydrophobicContact CB-CG 3.76Å; P644-L693 HydrophobicContact CG-CB 3.78Å; E689-L693 HydrophobicContact CG-CD1 4.02Å; E689-L693 WeakPolarHBondContact O-CG 3.33Å; E689-L693 PolarHBondContact O-N 2.76Å; F690-L693 PolarHBondContact O-N 2.79Å; F690-L693 VanDerWaalsContact O-N 3.11Å; L693-N695 PolarHBondContact O-N 2.65Å; L693-L696 VanDerWaalsContact O-CB 3.31Å; L693-L696 WeakPolarHBondContact O-CB 3.45Å; L693-L696 PolarHBondContact O-N 3.35Å |
| 694 | N | 98.6 | Very high | 98.5 | Very high | 52 Ų | 52 | 25.4 Ų | 25.4 | 28% | 0.278 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -65.6 | -24.1 | -179.7 | -164.7 | 53.4 | 0 | 0 | 0 | 112.3 | E612 P644 F690 | E612-N694 PolarHBondContact OE2-ND2 3.01Å; P644-N694 HydrophobicContact CG-CB 4.16Å; F690-N694 HydrophobicContact CD1-CB 4.33Å; F690-N694 HydrophobicContact CE1-CB 3.91Å; F690-N694 HydrophobicContact CZ-CB 4.13Å; F690-N694 VanDerWaalsContact O-CB 3.23Å; F690-N694 WeakPolarHBondContact O-CB 3.39Å; F690-N694 PolarHBondContact O-N 2.84Å |
| 695 | N | 98.6 | Very high | 98.3 | Very high | 25 Ų | 25 | 29 Ų | 29 | 13% | 0.134 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 20.7 | 178.2 | -63.7 | -89.5 | 0 | 0 | 0 | 112.7 | E612 C613 F631 N691 T692 L693 E697 V698 I699 | E612-N695 WeakPolarHBondContact CB-ND2 3.26Å; E612-N695 PolarHBondContact OE2-ND2 3.45Å; C613-N695 PolarHBondContact SG-OD1 3.35Å; C613-N695 VanDerWaalsContact SG-OD1 3.34Å; F631-N695 HydrophobicContact CE1-CB 3.71Å; F631-N695 HydrophobicContact CZ-CB 3.73Å; N691-N695 PolarHBondContact O-N 2.89Å; N691-N695 PolarHBondContact O-ND2 3.02Å; T692-N695 PolarHBondContact O-N 3.47Å; L693-N695 PolarHBondContact O-N 2.65Å; N695-E697 PolarHBondContact O-N 3.44Å; N695-V698 HydrophobicContact CB-CB 4.44Å; N695-V698 HydrophobicContact CB-CG2 4.27Å; N695-V698 WeakPolarHBondContact O-CB 3.43Å; N695-V698 PolarHBondContact O-N 3.31Å; N695-I699 PolarHBondContact O-N 3.42Å |
| 696 | L | 98.3 | Very high | 98.1 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 17% | 0.168 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.1 | -37.5 | 179.8 | -179.1 | 60.9 | 0 | 0 | 0 | 112.4 | V213 T692 L693 V698 I699 K700 | V213-L696 HydrophobicContact CG2-CD1 3.46Å; V213-L696 VanDerWaalsContact CG2-CD1 3.46Å; T692-L696 PolarHBondContact O-N 2.97Å; L693-L696 VanDerWaalsContact O-CB 3.31Å; L693-L696 WeakPolarHBondContact O-CB 3.45Å; L693-L696 PolarHBondContact O-N 3.35Å; L696-V698 VanDerWaalsContact C-N 3.32Å; L696-V698 PolarHBondContact O-N 3.26Å; L696-I699 WeakPolarHBondContact O-CB 3.24Å; L696-I699 PolarHBondContact O-N 3.46Å; L696-K700 WeakPolarHBondContact O-CG 3.26Å; L696-K700 PolarHBondContact O-N 3.05Å |
| 697 | E | 98 | Very high | 97.9 | Very high | 102 Ų | 102 | 26.4 Ų | 26.4 | 48% | 0.477 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -65.7 | -34.3 | 177.6 | -64.1 | -52.8 | 131 | 0 | 0 | 112.2 | N695 I699 K700 E701 | N695-E697 PolarHBondContact O-N 3.44Å; E697-I699 VanDerWaalsContact C-N 3.3Å; E697-I699 PolarHBondContact O-N 3.44Å; E697-K700 PolarHBondContact O-N 2.86Å; E697-K700 IonicContact OE1-NZ 2.92Å; E697-K700 PolarHBondContact OE1-NZ 2.97Å; E697-K700 IonicContact OE2-NZ 2.67Å; E697-E701 WeakPolarHBondContact O-CG 3.48Å; E697-E701 PolarHBondContact O-N 2.97Å |
| 698 | V | 98.6 | Very high | 97.6 | Very high | 47 Ų | 47 | 28.4 Ų | 28.4 | 29% | 0.285 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.6 | -41.6 | 174.3 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | V615 I629 N695 L696 A702 | V615-V698 HydrophobicContact CG2-CG1 3.45Å; V615-V698 VanDerWaalsContact CG2-CG1 3.45Å; I629-V698 HydrophobicContact CG2-CG1 4.43Å; N695-V698 HydrophobicContact CB-CB 4.44Å; N695-V698 HydrophobicContact CB-CG2 4.27Å; N695-V698 WeakPolarHBondContact O-CB 3.43Å; N695-V698 PolarHBondContact O-N 3.31Å; L696-V698 VanDerWaalsContact C-N 3.32Å; L696-V698 PolarHBondContact O-N 3.26Å; V698-A702 PolarHBondContact O-N 3.23Å; V698-A702 VanDerWaalsContact O-N 3.1Å |
| 699 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.2 | -47.5 | 175.7 | -65 | 166.3 | 0 | 0 | 0 | 110.4 | L208 V213 I565 I629 F631 N695 L696 E697 E701 A702 I703 | L208-I699 HydrophobicContact CD2-CD1 4.35Å; V213-I699 HydrophobicContact CG1-CG2 3.94Å; V213-I699 HydrophobicContact CG2-CG2 4.2Å; I565-I699 HydrophobicContact CD1-CG1 4.37Å; I565-I699 HydrophobicContact CD1-CG2 3.76Å; I629-I699 HydrophobicContact CD1-CB 4.37Å; I629-I699 HydrophobicContact CD1-CG1 3.98Å; F631-I699 HydrophobicContact CE2-CD1 4.15Å; F631-I699 HydrophobicContact CE2-CG1 4.3Å; F631-I699 HydrophobicContact CZ-CD1 4.04Å; F631-I699 HydrophobicContact CZ-CG1 4.37Å; N695-I699 PolarHBondContact O-N 3.42Å; L696-I699 WeakPolarHBondContact O-CB 3.24Å; L696-I699 PolarHBondContact O-N 3.46Å; E697-I699 VanDerWaalsContact C-N 3.3Å; E697-I699 PolarHBondContact O-N 3.44Å; I699-E701 PolarHBondContact O-N 3.14Å; I699-A702 PolarHBondContact O-N 3.23Å; I699-I703 HydrophobicContact CG2-CD1 3.93Å; I699-I703 HydrophobicContact CG2-CG1 4.5Å; I699-I703 WeakPolarHBondContact O-CG1 3.27Å; I699-I703 PolarHBondContact O-N 2.83Å |
| 700 | K | 98.5 | Very high | 96.7 | Very high | 34 Ų | 34 | 31.2 Ų | 31.2 | 15% | 0.148 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59 | -46.7 | 178.2 | -72.1 | 177.4 | -178.4 | 168.6 | 0 | 111.6 | L167 L168 L696 E697 A702 I703 K704 | L167-K700 HydrophobicContact CD2-CG 4.35Å; L167-K700 HydrophobicContact CG-CG 4.23Å; L168-K700 HydrophobicContact CD2-CB 3.72Å; L168-K700 HydrophobicContact CD2-CD 4.05Å; L168-K700 HydrophobicContact CD2-CG 3.7Å; L696-K700 WeakPolarHBondContact O-CG 3.26Å; L696-K700 PolarHBondContact O-N 3.05Å; E697-K700 PolarHBondContact O-N 2.86Å; E697-K700 IonicContact OE1-NZ 2.92Å; E697-K700 PolarHBondContact OE1-NZ 2.97Å; E697-K700 IonicContact OE2-NZ 2.67Å; K700-A702 PolarHBondContact O-N 2.86Å; K700-I703 PolarHBondContact O-N 2.85Å; K700-K704 WeakPolarHBondContact O-CG 3.4Å; K700-K704 PolarHBondContact O-N 2.91Å |
| 701 | E | 98.3 | Very high | 96.2 | Very high | 85 Ų | 85 | 33.6 Ų | 33.6 | 40% | 0.397 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 177 | -71.7 | -54.8 | 147.3 | 0 | 0 | 112.1 | E697 I699 I703 K704 E705 | E697-E701 WeakPolarHBondContact O-CG 3.48Å; E697-E701 PolarHBondContact O-N 2.97Å; I699-E701 PolarHBondContact O-N 3.14Å; E701-I703 VanDerWaalsContact C-N 3.32Å; E701-I703 PolarHBondContact O-N 2.88Å; E701-K704 VanDerWaalsContact CD-NZ 3.27Å; E701-K704 WeakPolarHBondContact O-CB 3.28Å; E701-K704 PolarHBondContact O-N 2.87Å; E701-K704 WeakPolarHBondContact OE1-CE 3.38Å; E701-K704 IonicContact OE1-NZ 3.45Å; E701-K704 PolarHBondContact OE1-NZ 2.85Å; E701-K704 WeakPolarHBondContact OE2-CE 3.43Å; E701-K704 IonicContact OE2-NZ 3.52Å; E701-K704 PolarHBondContact OE2-NZ 3.47Å; E701-E705 WeakPolarHBondContact O-CG 3.33Å; E701-E705 PolarHBondContact O-N 3.19Å |
| 702 | A | 98.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.033 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.6 | -37.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L563 I629 V698 I699 K700 E705 C706 | L563-A702 HydrophobicContact CD1-CB 3.84Å; L563-A702 HydrophobicContact CD2-CB 4.09Å; I629-A702 HydrophobicContact CD1-CB 3.67Å; I629-A702 HydrophobicContact CG1-CB 4.21Å; V698-A702 PolarHBondContact O-N 3.23Å; V698-A702 VanDerWaalsContact O-N 3.1Å; I699-A702 PolarHBondContact O-N 3.23Å; K700-A702 PolarHBondContact O-N 2.86Å; A702-E705 PolarHBondContact O-N 2.61Å; A702-C706 PolarHBondContact O-N 2.91Å; A702-C706 PolarHBondContact O-SG 2.81Å |
| 703 | I | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.4 | -46.5 | 174 | -67.8 | 172.6 | 0 | 0 | 0 | 110.3 | I164 L167 L168 I186 L563 I699 K700 E701 E705 C706 I707 | I164-I703 HydrophobicContact CD1-CG2 4.23Å; I164-I703 HydrophobicContact CG1-CG2 4.25Å; I164-I703 HydrophobicContact CG2-CG2 4.24Å; L167-I703 HydrophobicContact CD2-CD1 3.99Å; L168-I703 HydrophobicContact CD1-CG2 4.1Å; I186-I703 HydrophobicContact CD1-CD1 3.82Å; I186-I703 HydrophobicContact CD1-CG1 3.72Å; L563-I703 HydrophobicContact CD2-CG1 3.65Å; I699-I703 HydrophobicContact CG2-CD1 3.93Å; I699-I703 HydrophobicContact CG2-CG1 4.5Å; I699-I703 WeakPolarHBondContact O-CG1 3.27Å; I699-I703 PolarHBondContact O-N 2.83Å; K700-I703 PolarHBondContact O-N 2.85Å; E701-I703 VanDerWaalsContact C-N 3.32Å; E701-I703 PolarHBondContact O-N 2.88Å; I703-E705 VanDerWaalsContact C-N 3.33Å; I703-E705 PolarHBondContact O-N 2.85Å; I703-C706 PolarHBondContact O-N 2.96Å; I703-I707 HydrophobicContact CG2-CD1 3.74Å; I703-I707 WeakPolarHBondContact O-CD1 3.44Å; I703-I707 WeakPolarHBondContact O-CG1 3.37Å; I703-I707 PolarHBondContact O-N 3.01Å |
| 704 | K | 97.3 | Very high | 92.6 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57 | -46.7 | 177.2 | -70.7 | -168.7 | -67.2 | -174 | 0 | 111.5 | L168 E171 F175 K700 E701 C706 I707 V708 | L168-K704 HydrophobicContact CD1-CG 3.79Å; L168-K704 HydrophobicContact CD2-CG 4.41Å; E171-K704 VanDerWaalsContact CD-NZ 3.26Å; E171-K704 HydrophobicContact CG-CD 3.99Å; E171-K704 IonicContact OE1-NZ 3.47Å; E171-K704 PolarHBondContact OE1-NZ 3.21Å; E171-K704 IonicContact OE2-NZ 3.15Å; E171-K704 PolarHBondContact OE2-NZ 3.46Å; F175-K704 HydrophobicContact CB-CB 4.32Å; F175-K704 HydrophobicContact CB-CD 3.83Å; F175-K704 HydrophobicContact CB-CG 3.88Å; F175-K704 HydrophobicContact CD1-CB 3.88Å; F175-K704 HydrophobicContact CD1-CD 4.13Å; F175-K704 HydrophobicContact CD1-CG 4.26Å; F175-K704 HydrophobicContact CD2-CD 4.05Å; F175-K704 HydrophobicContact CG-CB 4.27Å; F175-K704 HydrophobicContact CG-CD 3.76Å; F175-K704 HydrophobicContact CG-CG 4.14Å; K700-K704 WeakPolarHBondContact O-CG 3.4Å; K700-K704 PolarHBondContact O-N 2.91Å; E701-K704 VanDerWaalsContact CD-NZ 3.27Å; E701-K704 WeakPolarHBondContact O-CB 3.28Å; E701-K704 PolarHBondContact O-N 2.87Å; E701-K704 WeakPolarHBondContact OE1-CE 3.38Å; E701-K704 IonicContact OE1-NZ 3.45Å; E701-K704 PolarHBondContact OE1-NZ 2.85Å; E701-K704 WeakPolarHBondContact OE2-CE 3.43Å; E701-K704 IonicContact OE2-NZ 3.52Å; E701-K704 PolarHBondContact OE2-NZ 3.47Å; K704-C706 PolarHBondContact O-N 3.34Å; K704-I707 PolarHBondContact O-N 3.41Å; K704-V708 WeakPolarHBondContact O-CG2 3.06Å; K704-V708 PolarHBondContact O-N 3.36Å |
| 705 | E | 94.8 | Very high | 90.3 | Very high | 76 Ų | 76 | 46.6 Ų | 46.6 | 36% | 0.355 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 177.5 | -71.6 | -179.1 | -176.9 | 0 | 0 | 112.5 | K617 E701 A702 I703 I707 V708 K709 | K617-E705 WeakPolarHBondContact CE-OE2 3.14Å; K617-E705 IonicContact NZ-OE1 2.7Å; K617-E705 PolarHBondContact NZ-OE1 2.66Å; K617-E705 IonicContact NZ-OE2 3.98Å; K617-E705 PolarHBondContact NZ-OE2 3.04Å; E701-E705 WeakPolarHBondContact O-CG 3.33Å; E701-E705 PolarHBondContact O-N 3.19Å; A702-E705 PolarHBondContact O-N 2.61Å; I703-E705 VanDerWaalsContact C-N 3.33Å; I703-E705 PolarHBondContact O-N 2.85Å; E705-I707 VanDerWaalsContact C-N 3.34Å; E705-I707 PolarHBondContact O-N 2.74Å; E705-V708 PolarHBondContact O-N 2.9Å; E705-K709 WeakPolarHBondContact O-CB 3.42Å; E705-K709 PolarHBondContact O-N 3.01Å |
| 706 | C | 94.1 | Very high | 87.9 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.034 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 176.4 | -68.1 | 0 | 0 | 0 | 0 | 112.1 | P184 A702 I703 K704 K709 R710 | P184-C706 HydrophobicContact CB-CB 3.87Å; P184-C706 HydrophobicContact CG-CB 4.31Å; A702-C706 PolarHBondContact O-N 2.91Å; A702-C706 PolarHBondContact O-SG 2.81Å; I703-C706 PolarHBondContact O-N 2.96Å; K704-C706 PolarHBondContact O-N 3.34Å; C706-K709 PolarHBondContact O-N 2.97Å; C706-R710 WeakPolarHBondContact O-CG 3.19Å; C706-R710 PolarHBondContact O-N 3.24Å |
| 707 | I | 94.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 176.7 | -66.4 | 158.6 | 0 | 0 | 0 | 110.5 | I164 L168 F175 P184 I703 K704 E705 K709 R710 K711 | I164-I707 HydrophobicContact CG2-CD1 3.72Å; L168-I707 HydrophobicContact CD1-CD1 4.34Å; F175-I707 WeakPolarHBondContact O-CD1 3.27Å; P184-I707 HydrophobicContact CG-CG1 4.08Å; I703-I707 HydrophobicContact CG2-CD1 3.74Å; I703-I707 WeakPolarHBondContact O-CD1 3.44Å; I703-I707 WeakPolarHBondContact O-CG1 3.37Å; I703-I707 PolarHBondContact O-N 3.01Å; K704-I707 PolarHBondContact O-N 3.41Å; E705-I707 VanDerWaalsContact C-N 3.34Å; E705-I707 PolarHBondContact O-N 2.74Å; I707-K709 PolarHBondContact O-N 2.94Å; I707-R710 PolarHBondContact O-N 3.46Å; I707-K711 HydrophobicContact CG2-CD 4.39Å; I707-K711 WeakPolarHBondContact O-CG 3.42Å; I707-K711 PolarHBondContact O-N 3.02Å |
| 708 | V | 93 | Very high | 82.7 | Confident | 42 Ų | 42 | 45.5 Ų | 45.5 | 26% | 0.255 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.1 | -47.9 | 176.7 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | F175 K704 E705 R710 K711 E712 | F175-V708 HydrophobicContact CD1-CG2 3.76Å; F175-V708 HydrophobicContact CE1-CG2 3.89Å; K704-V708 WeakPolarHBondContact O-CG2 3.06Å; K704-V708 PolarHBondContact O-N 3.36Å; E705-V708 PolarHBondContact O-N 2.9Å; V708-R710 VanDerWaalsContact C-N 3.26Å; V708-R710 PolarHBondContact O-N 3.29Å; V708-K711 WeakPolarHBondContact O-CB 3.42Å; V708-K711 PolarHBondContact O-N 3.2Å; V708-K711 VanDerWaalsContact O-N 3.1Å; V708-E712 HydrophobicContact CG1-CG 4.42Å; V708-E712 WeakPolarHBondContact O-CG 3.16Å; V708-E712 PolarHBondContact O-N 3.09Å |
| 709 | K | 89.2 | Confident | 79.8 | Confident | 58 Ų | 58 | 49.7 Ų | 49.7 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.5 | -39.7 | 177 | -172.8 | 179.1 | -179.3 | 179.2 | 0 | 112.2 | E705 C706 I707 M713 | E705-K709 WeakPolarHBondContact O-CB 3.42Å; E705-K709 PolarHBondContact O-N 3.01Å; C706-K709 PolarHBondContact O-N 2.97Å; I707-K709 PolarHBondContact O-N 2.94Å; K709-M713 HydrophobicContact CD-CE 4.14Å; K709-M713 HydrophobicContact CG-CE 3.43Å; K709-M713 VanDerWaalsContact CG-CE 3.43Å; K709-M713 PolarHBondContact O-N 3.34Å; K709-M713 VanDerWaalsContact O-N 3.09Å |
| 710 | R | 88.3 | Confident | 76.9 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.7 | -32 | 178 | -75.8 | -174.6 | 163.1 | -151.4 | -6 | 113.7 | V183 D562 C706 I707 V708 M713 | V183-R710 PolarHBondContact O-NH1 2.92Å; D562-R710 VanDerWaalsContact CG-CZ 3.45Å; D562-R710 VanDerWaalsContact CG-NE 3.31Å; D562-R710 IonicContact OD1-CZ 3.29Å; D562-R710 IonicContact OD1-NE 2.74Å; D562-R710 PolarHBondContact OD1-NE 3.02Å; D562-R710 IonicContact OD1-NH2 3.9Å; D562-R710 PolarHBondContact OD1-NH2 3.41Å; D562-R710 IonicContact OD2-CZ 3.3Å; D562-R710 IonicContact OD2-NE 2.64Å; D562-R710 PolarHBondContact OD2-NE 2.83Å; D562-R710 IonicContact OD2-NH1 2.71Å; D562-R710 IonicContact OD2-NH2 2.65Å; D562-R710 PolarHBondContact OD2-NH2 3.32Å; C706-R710 WeakPolarHBondContact O-CG 3.19Å; C706-R710 PolarHBondContact O-N 3.24Å; I707-R710 PolarHBondContact O-N 3.46Å; V708-R710 VanDerWaalsContact C-N 3.26Å; V708-R710 PolarHBondContact O-N 3.29Å; R710-M713 CarbonylContact O-C 3.48Å |
| 711 | K | 89.6 | Confident | 74 | Confident | 58 Ų | 58 | 59.3 Ų | 59.3 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.7 | -39.7 | 172.3 | -73.5 | -179.9 | 176.4 | 179.5 | 0 | 112.2 | P173 C174 L176 E182 I707 V708 P714 | P173-K711 PolarHBondContact O-NZ 3.04Å; C174-K711 PolarHBondContact O-NZ 3.32Å; L176-K711 WeakPolarHBondContact O-CE 3.36Å; L176-K711 PolarHBondContact O-NZ 2.99Å; E182-K711 HydrophobicContact CB-CG 4.48Å; E182-K711 HydrophobicContact CG-CG 3.96Å; E182-K711 WeakPolarHBondContact OE2-CE 3.09Å; I707-K711 HydrophobicContact CG2-CD 4.39Å; I707-K711 WeakPolarHBondContact O-CG 3.42Å; I707-K711 PolarHBondContact O-N 3.02Å; V708-K711 WeakPolarHBondContact O-CB 3.42Å; V708-K711 PolarHBondContact O-N 3.2Å; V708-K711 VanDerWaalsContact O-N 3.1Å; K711-P714 WeakPolarHBondContact O-CD 3.45Å |
| 712 | E | 85.3 | Confident | 70.9 | Confident | 146 Ų | 146 | 57.5 Ų | 57.5 | 68% | 0.682 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -73 | -29.5 | 179.5 | -70.3 | 178.8 | 173.8 | 0 | 0 | 113 | V708 P714 | V708-E712 HydrophobicContact CG1-CG 4.42Å; V708-E712 WeakPolarHBondContact O-CG 3.16Å; V708-E712 PolarHBondContact O-N 3.09Å; E712-P714 VanDerWaalsContact C-CD 3.47Å; E712-P714 WeakPolarHBondContact O-CD 3.31Å |
| 713 | M | 74.4 | Confident | 68.1 | Low | 60 Ų | 60 | 64 Ų | 64 | 30% | 0.296 | 35% | 0.348 | S | S | . | . | trans | -123.7 | 69.8 | 178.7 | -59.4 | -174.9 | -73.4 | 0 | 0 | 112.5 | K709 R710 S715 S716 | K709-M713 HydrophobicContact CD-CE 4.14Å; K709-M713 HydrophobicContact CG-CE 3.43Å; K709-M713 VanDerWaalsContact CG-CE 3.43Å; K709-M713 PolarHBondContact O-N 3.34Å; K709-M713 VanDerWaalsContact O-N 3.09Å; R710-M713 CarbonylContact O-C 3.48Å; M713-S715 VanDerWaalsContact C-N 3.31Å; M713-S715 PolarHBondContact O-N 2.87Å; M713-S716 VanDerWaalsContact CB-OG 3.26Å; M713-S716 WeakPolarHBondContact CB-OG 2.96Å; M713-S716 PolarHBondContact O-OG 3.32Å | ||
| 714 | P | 60.2 | Low | 65 | Low | 56 Ų | 56 | 69 Ų | 69 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 177.5 | -18.1 | 29.9 | 0 | 0 | 0 | 110.3 | K711 E712 S716 S718 | K711-P714 WeakPolarHBondContact O-CD 3.45Å; E712-P714 VanDerWaalsContact C-CD 3.47Å; E712-P714 WeakPolarHBondContact O-CD 3.31Å; P714-S716 PolarHBondContact O-N 2.9Å; P714-S718 WeakPolarHBondContact O-CB 3.41Å; P714-S718 PolarHBondContact O-N 3.48Å; P714-S718 PolarHBondContact O-OG 3.12Å |
| 715 | S | 50.3 | Low | 61.9 | Low | 114 Ų | 114 | 72.2 Ų | 72.2 | 80% | 0.797 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -74.4 | -14.2 | -171.5 | 58.1 | 0 | 0 | 0 | 0 | 115.9 | M713 | M713-S715 VanDerWaalsContact C-N 3.31Å; M713-S715 PolarHBondContact O-N 2.87Å |
| 716 | S | 48.4 | Very low | 59.2 | Low | 39 Ų | 39 | 73.1 Ų | 73.1 | 27% | 0.273 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -87.2 | -16.6 | -177.8 | 66.1 | 0 | 0 | 0 | 0 | 114.1 | M713 P714 | M713-S716 VanDerWaalsContact CB-OG 3.26Å; M713-S716 WeakPolarHBondContact CB-OG 2.96Å; M713-S716 PolarHBondContact O-OG 3.32Å; P714-S716 PolarHBondContact O-N 2.9Å |
| 717 | H | 49.5 | Very low | 56.1 | Low | 51 Ų | 51 | 76.9 Ų | 76.9 | 24% | 0.236 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -138.9 | -1.9 | -175.7 | -55.5 | -66.4 | 0 | 0 | 0 | 114.8 | N624 | N624-H717 PolarHBondContact OD1-CE1 2.96Å; N624-H717 PolarHBondContact OD1-ND1 3.49Å |
| 718 | S | 36.3 | Very low | 53.1 | Low | 46 Ų | 46 | 86 Ų | 86 | 32% | 0.322 | 48% | 0.477 | S | S | . | . | trans | -99.5 | 21.3 | -173 | 70.7 | 0 | 0 | 0 | 0 | 116.9 | P714 | P714-S718 WeakPolarHBondContact O-CB 3.41Å; P714-S718 PolarHBondContact O-N 3.48Å; P714-S718 PolarHBondContact O-OG 3.12Å | ||
| 719 | L | 37.8 | Very low | 50.4 | Low | 134 Ų | 134 | 92 Ų | 92 | 70% | 0.702 | 50% | 0.5 | S | S | * | . | trans | -113.8 | 115.6 | 162.4 | -71.9 | 166.8 | 0 | 0 | 0 | 108.3 | F721 | L719-F721 PolarHBondContact O-N 3.47Š| ||
| 720 | P | 38.2 | Very low | 47.5 | Very low | 117 Ų | 117 | 98.4 Ų | 98.4 | 76% | 0.76 | 53% | 0.528 | S | S | * | . | trans | -49.3 | 119.5 | 144.9 | 24.1 | -30.6 | 0 | 0 | 0 | 104.4 | S722 | P720-S722 PolarHBondContact O-N 2.9Š| ||
| 721 | F | 38 | Very low | 44.8 | Very low | 119 Ų | 119 | 106.5 Ų | 106.5 | 52% | 0.522 | 56% | 0.564 | S | S | . | * | trans | -26 | 111.1 | 177.3 | -83.7 | -86.1 | 0 | 0 | 0 | 110.5 | L501 L719 L723 | L501-F721 HydrophobicContact CD1-CE1 3.41Å; L501-F721 VanDerWaalsContact CD1-CE1 3.41Å; L501-F721 HydrophobicContact CD1-CZ 3.54Å; L501-F721 HydrophobicContact CD2-CE1 3.65Å; L501-F721 HydrophobicContact CD2-CZ 4.2Å; L501-F721 HydrophobicContact CG-CE1 4.1Å; L501-F721 HydrophobicContact CG-CZ 4.49Å; L719-F721 PolarHBondContact O-N 3.47Å; F721-L723 PolarHBondContact O-N 2.75Å | ||
| 722 | S | 33 | Very low | 41.8 | Very low | 48 Ų | 48 | 113.6 Ų | 113.6 | 34% | 0.336 | 60% | 0.595 | S | S | . | * | trans | -56.7 | 118.6 | 177.3 | -179.2 | 0 | 0 | 0 | 0 | 106.8 | P720 S724 S725 | P720-S722 PolarHBondContact O-N 2.9Å; S722-S724 PolarHBondContact O-N 2.55Å; S722-S724 PolarHBondContact OG-N 2.66Å; S722-S724 PolarHBondContact OG-OG 2.69Å; S722-S725 PolarHBondContact O-N 3.4Å; S722-S725 PolarHBondContact O-OG 2.65Å | ||
| 723 | L | 39.3 | Very low | 39.1 | Very low | 141 Ų | 141 | 116 Ų | 116 | 74% | 0.738 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -14.2 | 177.9 | -76.2 | 159.8 | 0 | 0 | 0 | 112.2 | F721 I726 | F721-L723 PolarHBondContact O-N 2.75Å; L723-I726 HydrophobicContact CD2-CD1 4.38Å |
| 724 | S | 33 | Very low | 37 | Very low | 105 Ų | 105 | 124.7 Ų | 124.7 | 73% | 0.734 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -18 | 172.9 | 65.8 | 0 | 0 | 0 | 0 | 114.8 | S722 | S722-S724 PolarHBondContact O-N 2.55Å; S722-S724 PolarHBondContact OG-N 2.66Å; S722-S724 PolarHBondContact OG-OG 2.69Å |
| 725 | S | 31.5 | Very low | 35.6 | Very low | 77 Ų | 77 | 128 Ų | 128 | 54% | 0.538 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.5 | -6.5 | 177.1 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | S722 P727 | S722-S725 PolarHBondContact O-N 3.4Å; S722-S725 PolarHBondContact O-OG 2.65Å; S725-P727 WeakPolarHBondContact O-CD 3.45Å |
| 726 | I | 38.4 | Very low | 34.7 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 49% | 0.487 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -77.5 | 116.2 | 159.5 | -59.3 | 172.2 | 0 | 0 | 0 | 105.3 | L723 K728 | L723-I726 HydrophobicContact CD2-CD1 4.38Å; I726-K728 PolarHBondContact O-N 3.23Å |
| 727 | P | 29.4 | Very low | 33.9 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 55% | 0.545 | 67% | 0.669 | S | S | . | * | trans | -57.2 | 113 | 171.8 | 21.4 | -28.5 | 0 | 0 | 0 | 106.8 | S725 K729 | S725-P727 WeakPolarHBondContact O-CD 3.45Å; P727-K729 VanDerWaalsContact C-N 3.32Å; P727-K729 PolarHBondContact O-N 3.19Å | ||
| 728 | K | 32.9 | Very low | 32.9 | Very low | 190 Ų | 190 | 135.9 Ų | 135.9 | 83% | 0.826 | 69% | 0.694 | S | S | * | * | trans | -51.2 | 107.4 | 162.4 | -73.3 | -176.6 | 178.5 | -178.6 | 0 | 104.4 | I726 K730 | I726-K728 PolarHBondContact O-N 3.23Å; K728-K730 VanDerWaalsContact C-N 3.33Å; K728-K730 PolarHBondContact O-N 2.67Å | ||
| 729 | K | 35.2 | Very low | 32.6 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 74% | 0.735 | 72% | 0.716 | S | S | * | * | trans | -52 | 105.8 | 175 | -85.4 | -176 | 175.5 | 179.3 | 0 | 105.6 | P727 F731 | P727-K729 VanDerWaalsContact C-N 3.32Å; P727-K729 PolarHBondContact O-N 3.19Å; K729-F731 PolarHBondContact O-N 3.24Å | ||
| 730 | K | 28.9 | Very low | 32.3 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | trans | -62.5 | 112.8 | 162.3 | -84.8 | -176.1 | 176.2 | 179 | 0 | 103.9 | K728 F732 | K728-K730 VanDerWaalsContact C-N 3.33Å; K728-K730 PolarHBondContact O-N 2.67Å; K730-F732 PolarHBondContact O-N 2.92Å | ||
| 731 | F | 31.3 | Very low | 31.9 | Very low | 195 Ų | 195 | 147.1 Ų | 147.1 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | trans | -49.8 | 109.3 | 170.1 | -69.5 | -90.2 | 0 | 0 | 0 | 107.7 | K729 K733 | K729-F731 PolarHBondContact O-N 3.24Å; F731-K733 VanDerWaalsContact C-N 3.26Å; F731-K733 PolarHBondContact O-N 2.96Å | ||
| 732 | F | 26.6 | Very low | 31.7 | Very low | 207 Ų | 207 | 148.7 Ų | 148.7 | 91% | 0.908 | 74% | 0.74 | S | S | * | * | trans | -67.4 | 97.6 | 162.2 | -86.4 | -83.5 | 0 | 0 | 0 | 105.9 | K730 R734 | K730-F732 PolarHBondContact O-N 2.92Å; F732-R734 PolarHBondContact O-N 3.08Å; F732-R734 VanDerWaalsContact O-N 3.14Å | ||
| 733 | K | 27.8 | Very low | 31.6 | Very low | 197 Ų | 197 | 154.3 Ų | 154.3 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | trans | -58 | 114.2 | 158.5 | -80.4 | -177.2 | 173.1 | -177 | 0 | 106 | F731 D735 | F731-K733 VanDerWaalsContact C-N 3.26Å; F731-K733 PolarHBondContact O-N 2.96Å; K733-D735 PolarHBondContact O-N 3.06Å | ||
| 734 | R | 30.2 | Very low | 31.5 | Very low | 241 Ų | 241 | 156.5 Ų | 156.5 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | -62.9 | 122.8 | 163.3 | -100 | -178.5 | 173.2 | 169.9 | -1.4 | 107.2 | F732 | F732-R734 PolarHBondContact O-N 3.08Å; F732-R734 VanDerWaalsContact O-N 3.14Å | ||
| 735 | D | 31.2 | Very low | 31.4 | Very low | 125 Ų | 125 | 154.6 Ų | 154.6 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | trans | -69.2 | 127 | 170.1 | -152.7 | -7.1 | 0 | 0 | 0 | 108 | K733 D737 | K733-D735 PolarHBondContact O-N 3.06Å; D735-D737 PolarHBondContact O-N 3.4Å; D735-D737 VanDerWaalsContact O-N 3.09Å | ||
| 736 | P | 31.6 | Very low | 31.5 | Very low | 118 Ų | 118 | 160.4 Ų | 160.4 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -8.5 | -172 | -19.4 | 32.9 | 0 | 0 | 0 | 115 | ||
| 737 | D | 31 | Very low | 31.3 | Very low | 144 Ų | 144 | 163.8 Ų | 163.8 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 12.9 | -164.6 | -77.4 | -27.2 | 0 | 0 | 0 | 116.3 | D735 K739 | D735-D737 PolarHBondContact O-N 3.4Å; D735-D737 VanDerWaalsContact O-N 3.09Å; D737-K739 PolarHBondContact O-N 2.94Å; D737-K739 VanDerWaalsContact O-N 3.13Å |
| 738 | S | 28.9 | Very low | 31.7 | Very low | 108 Ų | 108 | 163.3 Ų | 163.3 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -80.5 | 99.1 | 175.7 | 64.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 739 | K | 30.1 | Very low | 31.7 | Very low | 178 Ų | 178 | 167.4 Ų | 167.4 | 77% | 0.774 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 144.6 | 170.2 | -72 | 179 | 178.2 | 176.8 | 0 | 111.4 | D737 W741 | D737-K739 PolarHBondContact O-N 2.94Å; D737-K739 VanDerWaalsContact O-N 3.13Å; K739-W741 PolarHBondContact O-N 3.11Å |
| 740 | P | 32.5 | Very low | 31.5 | Very low | 125 Ų | 125 | 167.4 Ų | 167.4 | 81% | 0.812 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 127.7 | 177.9 | 28.4 | -32 | 0 | 0 | 0 | 111 | ||
| 741 | W | 29.1 | Very low | 31.7 | Very low | 230 Ų | 230 | 166 Ų | 166 | 87% | 0.871 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -79 | 119.9 | 178.8 | -81.9 | 51.4 | 0 | 0 | 0 | 111.2 | K739 H743 | K739-W741 PolarHBondContact O-N 3.11Å; W741-H743 AromaticContact CE3-CD2 3.94Å |
| 742 | N | 34.3 | Very low | 31.7 | Very low | 152 Ų | 152 | 164.4 Ų | 164.4 | 81% | 0.813 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 125.2 | 158.1 | -78.1 | -32.8 | 0 | 0 | 0 | 109.4 | ||
| 743 | H | 30.5 | Very low | 32 | Very low | 167 Ų | 167 | 161.9 Ų | 161.9 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | trans | -153.7 | 95.5 | 149.6 | -91.3 | -57.8 | 0 | 0 | 0 | 110.7 | W741 | W741-H743 AromaticContact CE3-CD2 3.94Š| ||
| 744 | L | 37.8 | Very low | 32.3 | Very low | 187 Ų | 187 | 159.7 Ų | 159.7 | 98% | 0.979 | 84% | 0.835 | S | S | * | * | trans | -88 | 118.9 | 150.4 | -89.7 | 154.6 | 0 | 0 | 0 | 107.3 | ||||
| 745 | G | 30.3 | Very low | 32.4 | Very low | 64 Ų | 64 | 154.3 Ų | 154.3 | 66% | 0.66 | 83% | 0.83 | S | S | * | * | trans | -161.9 | 104.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 746 | K | 33.7 | Very low | 32.5 | Very low | 200 Ų | 200 | 156.4 Ų | 156.4 | 87% | 0.87 | 84% | 0.841 | S | S | * | * | 60.4 | 112.9 | 98.2 | -85.1 | -165.7 | 177 | -175.5 | 0 | 113.4 | |||||
| 747 | D | 34.4 | Very low | 32.5 | Very low | 166 Ų | 166 | 159.3 Ų | 159.3 | 89% | 0.888 | 85% | 0.847 | S | S | * | * | trans | 154.2 | 131.7 | 134 | -72.9 | -15.9 | 0 | 0 | 0 | 106.4 | ||||
| 748 | G | 36.8 | Very low | 32.7 | Very low | 73 Ų | 73 | 160.6 Ų | 160.6 | 75% | 0.753 | 85% | 0.853 | S | S | * | * | cis | 135 | 96.6 | 16.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 749 | Q | 33.8 | Very low | 33 | Very low | 277 Ų | 277 | 165.4 Ų | 165.4 | 100% | 1.294 | 86% | 0.862 | S | S | * | * | trans | -176.6 | 0 | 140.5 | -106.5 | 178.2 | 13.9 | 0 | 0 | 110.6 |
Retrieved 749 of 749 residues in 896.4 ms
(Link to these results)