| 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 | 44 | Very low | 54.4 | Low | 226 Ų | 226 | 94.7 Ų | 94.7 | 100% | 1.113 | 55% | 0.545 | S | S | * | . | 0 | 118.2 | 0 | -93.6 | 176.3 | 175.9 | 0 | 0 | 107 | V3 | M1-V3 PolarHBondContact O-N 3.42Š| |||
| 2 | D | 54.9 | Low | 53.9 | Low | 113 Ų | 113 | 96.8 Ų | 96.8 | 60% | 0.604 | 55% | 0.546 | S | S | * | . | trans | -73.9 | 120.5 | 178.8 | -146.5 | -35.5 | 0 | 0 | 0 | 109 | A4 N5 V6 | D2-A4 PolarHBondContact O-N 3.2Å; D2-N5 HydrophobicContact CB-CB 4.4Å; D2-N5 PolarHBondContact O-N 3.46Å; D2-N5 VanDerWaalsContact O-N 3.09Å; D2-V6 PolarHBondContact O-N 3.33Å | ||
| 3 | V | 50.5 | Low | 53.9 | Low | 97 Ų | 97 | 96.5 Ų | 96.5 | 59% | 0.588 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.1 | -30.3 | -174.9 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | M1 V6 Y7 | M1-V3 PolarHBondContact O-N 3.42Å; V3-V6 PolarHBondContact O-N 3.37Å; V3-Y7 WeakPolarHBondContact O-CB 3.44Å; V3-Y7 PolarHBondContact O-N 3.36Å; V3-Y7 VanDerWaalsContact O-N 3.09Å |
| 4 | A | 51.9 | Low | 53.5 | Low | 60 Ų | 60 | 98.1 Ų | 98.1 | 50% | 0.496 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D2 V6 Y7 E8 | D2-A4 PolarHBondContact O-N 3.2Å; A4-V6 PolarHBondContact O-N 2.97Å; A4-Y7 WeakPolarHBondContact O-CB 3.27Å; A4-Y7 PolarHBondContact O-N 3.3Å; A4-E8 WeakPolarHBondContact O-CB 3.17Å; A4-E8 PolarHBondContact O-N 3.03Å |
| 5 | N | 56.7 | Low | 53.4 | Low | 105 Ų | 105 | 95.9 Ų | 95.9 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.5 | -36.3 | -179.7 | -84 | -0.8 | 0 | 0 | 0 | 112.8 | D2 Y7 A9 | D2-N5 HydrophobicContact CB-CB 4.4Å; D2-N5 PolarHBondContact O-N 3.46Å; D2-N5 VanDerWaalsContact O-N 3.09Å; N5-Y7 VanDerWaalsContact C-N 3.34Å; N5-A9 VanDerWaalsContact O-CB 3.25Å; N5-A9 WeakPolarHBondContact O-CB 3.3Å; N5-A9 PolarHBondContact O-N 3.22Å |
| 6 | V | 58.2 | Low | 53.2 | Low | 89 Ų | 89 | 105.4 Ų | 105.4 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.6 | -40.6 | 176 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | D2 V3 A4 A10 | D2-V6 PolarHBondContact O-N 3.33Å; V3-V6 PolarHBondContact O-N 3.37Å; A4-V6 PolarHBondContact O-N 2.97Å; V6-A10 VanDerWaalsContact O-CB 3.3Å; V6-A10 WeakPolarHBondContact O-CB 3.46Å; V6-A10 PolarHBondContact O-N 3.18Å; V6-A10 VanDerWaalsContact O-N 3.1Å |
| 7 | Y | 53.7 | Low | 52.9 | Low | 93 Ų | 93 | 104.9 Ų | 104.9 | 37% | 0.365 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.5 | -45.8 | 176.4 | -172.8 | -98.1 | 0 | 0 | 0 | 111.8 | V3 A4 N5 A10 V11 Y27 | V3-Y7 WeakPolarHBondContact O-CB 3.44Å; V3-Y7 PolarHBondContact O-N 3.36Å; V3-Y7 VanDerWaalsContact O-N 3.09Å; A4-Y7 WeakPolarHBondContact O-CB 3.27Å; A4-Y7 PolarHBondContact O-N 3.3Å; N5-Y7 VanDerWaalsContact C-N 3.34Å; Y7-A10 PolarHBondContact O-N 2.9Å; Y7-V11 HydrophobicContact CD1-CG2 4.28Å; Y7-V11 HydrophobicContact CD2-CG2 4.28Å; Y7-V11 HydrophobicContact CE1-CG2 4Å; Y7-V11 HydrophobicContact CE2-CG2 4Å; Y7-V11 HydrophobicContact CG-CG2 4.41Å; Y7-V11 VanDerWaalsContact O-CB 3.29Å; Y7-V11 WeakPolarHBondContact O-CB 3.36Å; Y7-V11 WeakPolarHBondContact O-CG2 3.35Å; Y7-V11 PolarHBondContact O-N 3.25Å; Y7-Y27 WeakPolarHBondContact OH-CD1 3.5Å; Y7-Y27 WeakPolarHBondContact OH-CE1 3.41Å |
| 8 | E | 55.2 | Low | 52.6 | Low | 100 Ų | 100 | 100.2 Ų | 100.2 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | -178.4 | -157.8 | 175.5 | -177.1 | 0 | 0 | 112 | A4 A10 V11 Q12 | A4-E8 WeakPolarHBondContact O-CB 3.17Å; A4-E8 PolarHBondContact O-N 3.03Å; E8-A10 VanDerWaalsContact C-N 3.33Å; E8-A10 PolarHBondContact O-N 3.21Å; E8-V11 PolarHBondContact O-N 3.24Å; E8-Q12 HydrophobicContact CG-CG 4.05Å; E8-Q12 VanDerWaalsContact O-CB 3.24Å; E8-Q12 WeakPolarHBondContact O-CB 3.45Å; E8-Q12 WeakPolarHBondContact O-CG 3.23Å; E8-Q12 PolarHBondContact O-N 2.97Å; E8-Q12 PolarHBondContact OE1-NE2 3.45Å |
| 9 | A | 59.7 | Low | 52.7 | Low | 72 Ų | 72 | 99.4 Ų | 99.4 | 60% | 0.595 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.3 | -33.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N5 P13 | N5-A9 VanDerWaalsContact O-CB 3.25Å; N5-A9 WeakPolarHBondContact O-CB 3.3Å; N5-A9 PolarHBondContact O-N 3.22Å; A9-P13 WeakPolarHBondContact O-CD 3.34Å |
| 10 | A | 59.5 | Low | 52.9 | Low | 63 Ų | 63 | 101.2 Ų | 101.2 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -78.6 | -30.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | V6 Y7 E8 | V6-A10 VanDerWaalsContact O-CB 3.3Å; V6-A10 WeakPolarHBondContact O-CB 3.46Å; V6-A10 PolarHBondContact O-N 3.18Å; V6-A10 VanDerWaalsContact O-N 3.1Å; Y7-A10 PolarHBondContact O-N 2.9Å; E8-A10 VanDerWaalsContact C-N 3.33Å; E8-A10 PolarHBondContact O-N 3.21Å |
| 11 | V | 54.2 | Low | 53 | Low | 24 Ų | 24 | 104.7 Ų | 104.7 | 15% | 0.145 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -96.3 | -30.7 | -173.1 | 176.4 | 0 | 0 | 0 | 0 | 112.8 | Y7 E8 P13 Y14 N15 Y27 | Y7-V11 HydrophobicContact CD1-CG2 4.28Å; Y7-V11 HydrophobicContact CD2-CG2 4.28Å; Y7-V11 HydrophobicContact CE1-CG2 4Å; Y7-V11 HydrophobicContact CE2-CG2 4Å; Y7-V11 HydrophobicContact CG-CG2 4.41Å; Y7-V11 VanDerWaalsContact O-CB 3.29Å; Y7-V11 WeakPolarHBondContact O-CB 3.36Å; Y7-V11 WeakPolarHBondContact O-CG2 3.35Å; Y7-V11 PolarHBondContact O-N 3.25Å; E8-V11 PolarHBondContact O-N 3.24Å; V11-P13 VanDerWaalsContact C-CD 3.46Å; V11-Y14 PolarHBondContact O-N 2.91Å; V11-Y14 VanDerWaalsContact O-N 3.15Å; V11-N15 PolarHBondContact O-N 2.94Å; V11-Y27 HydrophobicContact CG1-CE2 4.25Å |
| 12 | Q | 47.9 | Very low | 53.3 | Low | 120 Ų | 120 | 96.3 Ų | 96.3 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -55.3 | -42.1 | -177.4 | -92.1 | -165.7 | 7.1 | 0 | 0 | 115.2 | E8 Y14 N15 | E8-Q12 HydrophobicContact CG-CG 4.05Å; E8-Q12 VanDerWaalsContact O-CB 3.24Å; E8-Q12 WeakPolarHBondContact O-CB 3.45Å; E8-Q12 WeakPolarHBondContact O-CG 3.23Å; E8-Q12 PolarHBondContact O-N 2.97Å; E8-Q12 PolarHBondContact OE1-NE2 3.45Å; Q12-Y14 PolarHBondContact O-N 3.41Å; Q12-N15 PolarHBondContact O-N 3.15Å |
| 13 | P | 53.9 | Low | 53 | Low | 93 Ų | 93 | 94.2 Ų | 94.2 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.7 | -25.5 | -179.3 | -20.9 | 31.4 | 0 | 0 | 0 | 113.4 | A9 V11 | A9-P13 WeakPolarHBondContact O-CD 3.34Å; V11-P13 VanDerWaalsContact C-CD 3.46Å |
| 14 | Y | 48.3 | Very low | 53.3 | Low | 118 Ų | 118 | 93.3 Ų | 93.3 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -97.8 | -12.5 | -176.2 | -64.3 | -80.2 | 0 | 0 | 0 | 113 | V11 Q12 R16 A18 F26 | V11-Y14 PolarHBondContact O-N 2.91Å; V11-Y14 VanDerWaalsContact O-N 3.15Å; Q12-Y14 PolarHBondContact O-N 3.41Å; Y14-R16 VanDerWaalsContact C-N 3.34Å; Y14-R16 PolarHBondContact O-N 3.4Å; Y14-A18 WeakPolarHBondContact O-CB 3.36Å; Y14-A18 PolarHBondContact O-N 2.87Å; Y14-F26 AromaticContact CD1-CE2 3.81Å; Y14-F26 HydrophobicContact CD1-CE2 3.81Å; Y14-F26 HydrophobicContact CD1-CZ 4.13Å; Y14-F26 HydrophobicContact CE1-CE2 4.05Å; Y14-F26 AromaticContact CE1-CZ 3.94Å; Y14-F26 HydrophobicContact CE1-CZ 3.94Å; Y14-F26 HydrophobicContact CE2-CZ 4.34Å; Y14-F26 HydrophobicContact CG-CD2 4.47Å; Y14-F26 HydrophobicContact CG-CE2 4.09Å; Y14-F26 HydrophobicContact CG-CZ 4.41Å |
| 15 | N | 52.5 | Low | 53.4 | Low | 66 Ų | 66 | 94 Ų | 94 | 35% | 0.353 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76 | -20.2 | -171.3 | -127.6 | -15.5 | 0 | 0 | 0 | 113.9 | V11 Q12 K23 | V11-N15 PolarHBondContact O-N 2.94Å; Q12-N15 PolarHBondContact O-N 3.15Å; N15-K23 WeakPolarHBondContact O-CE 3.32Å; N15-K23 PolarHBondContact O-NZ 2.83Å; N15-K23 VanDerWaalsContact OD1-CE 3.23Å; N15-K23 WeakPolarHBondContact OD1-CE 3.38Å; N15-K23 PolarHBondContact OD1-NZ 3.39Å |
| 16 | R | 49.9 | Very low | 53.3 | Low | 247 Ų | 247 | 92.8 Ų | 92.8 | 93% | 0.932 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -23.8 | -177.9 | -82.9 | -173.7 | 171.2 | 175.5 | -1.5 | 115.5 | Y14 | Y14-R16 VanDerWaalsContact C-N 3.34Å; Y14-R16 PolarHBondContact O-N 3.4Å |
| 17 | A | 48.4 | Very low | 53.3 | Low | 98 Ų | 98 | 93.4 Ų | 93.4 | 81% | 0.81 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127 | -7.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 18 | A | 47.8 | Very low | 53.7 | Low | 20 Ų | 20 | 91.2 Ų | 91.2 | 17% | 0.165 | 48% | 0.475 | C | S | . | . | trans | -94.9 | 126.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y14 T22 K23 | Y14-A18 WeakPolarHBondContact O-CB 3.36Å; Y14-A18 PolarHBondContact O-N 2.87Å; A18-T22 HydrophobicContact CB-CG2 3.64Å; A18-K23 WeakPolarHBondContact O-CE 3.48Å | ||
| 19 | S | 55 | Low | 54.1 | Low | 85 Ų | 85 | 88.2 Ų | 88.2 | 59% | 0.594 | 46% | 0.462 | S | S | * | . | trans | -48.7 | 149.8 | 172 | 179.1 | 0 | 0 | 0 | 0 | 111 | R21 T22 K23 | S19-R21 PolarHBondContact O-N 3.48Å; S19-T22 WeakPolarHBondContact O-CA 3.4Å; S19-T22 WeakPolarHBondContact O-CB 3.38Å; S19-T22 PolarHBondContact O-N 3.29Å; S19-K23 PolarHBondContact O-N 3.04Å | ||
| 20 | I | 55.2 | Low | 54.4 | Low | 134 Ų | 134 | 86.3 Ų | 86.3 | 69% | 0.687 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -45 | -36.8 | 179.3 | -66.6 | 169 | 0 | 0 | 0 | 111.5 | T22 K23 I24 | I20-T22 PolarHBondContact O-N 3.37Å; I20-K23 PolarHBondContact O-N 2.9Å; I20-I24 HydrophobicContact CG2-CD1 3.81Å; I20-I24 HydrophobicContact CG2-CG1 4.37Å; I20-I24 WeakPolarHBondContact O-CG1 3.49Å; I20-I24 PolarHBondContact O-N 3.32Å |
| 21 | R | 54.6 | Low | 54.7 | Low | 175 Ų | 175 | 86.1 Ų | 86.1 | 66% | 0.66 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.2 | -40.7 | 177.3 | -162.5 | 174.5 | -173.5 | -178 | 2 | 113.4 | S19 F25 | S19-R21 PolarHBondContact O-N 3.48Å; R21-F25 VanDerWaalsContact O-CB 3.32Å; R21-F25 WeakPolarHBondContact O-CB 3.39Å; R21-F25 PolarHBondContact O-N 2.85Å |
| 22 | T | 50.6 | Low | 55.2 | Low | 50 Ų | 50 | 85.1 Ų | 85.1 | 31% | 0.307 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.3 | -37.1 | 176.9 | -49.7 | 0 | 0 | 0 | 0 | 110.9 | A18 S19 I20 F25 F26 | A18-T22 HydrophobicContact CB-CG2 3.64Å; S19-T22 WeakPolarHBondContact O-CA 3.4Å; S19-T22 WeakPolarHBondContact O-CB 3.38Å; S19-T22 PolarHBondContact O-N 3.29Å; I20-T22 PolarHBondContact O-N 3.37Å; T22-F25 PolarHBondContact O-N 3.13Å; T22-F26 HydrophobicContact CG2-CD2 3.6Å; T22-F26 HydrophobicContact CG2-CE2 3.48Å; T22-F26 VanDerWaalsContact CG2-CE2 3.48Å; T22-F26 WeakPolarHBondContact O-CD2 3.26Å; T22-F26 PolarHBondContact O-N 3.14Å |
| 23 | K | 49.3 | Very low | 56.2 | Low | 70 Ų | 70 | 84.8 Ų | 84.8 | 30% | 0.304 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.3 | -49.4 | 172.4 | -62.5 | -170.6 | -175.5 | -164.4 | 0 | 110.7 | N15 A18 S19 I20 F25 F26 Y27 | N15-K23 WeakPolarHBondContact O-CE 3.32Å; N15-K23 PolarHBondContact O-NZ 2.83Å; N15-K23 VanDerWaalsContact OD1-CE 3.23Å; N15-K23 WeakPolarHBondContact OD1-CE 3.38Å; N15-K23 PolarHBondContact OD1-NZ 3.39Å; A18-K23 WeakPolarHBondContact O-CE 3.48Å; S19-K23 PolarHBondContact O-N 3.04Å; I20-K23 PolarHBondContact O-N 2.9Å; K23-F25 VanDerWaalsContact C-N 3.28Å; K23-F25 PolarHBondContact O-N 2.99Å; K23-F26 PolarHBondContact O-N 2.88Å; K23-Y27 WeakPolarHBondContact O-CB 3.48Å; K23-Y27 WeakPolarHBondContact O-CD2 3.15Å; K23-Y27 PolarHBondContact O-N 3.26Å |
| 24 | I | 56.3 | Low | 56.9 | Low | 77 Ų | 77 | 84.6 Ų | 84.6 | 40% | 0.395 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.6 | -43.9 | 175.7 | -66 | 167.9 | 0 | 0 | 0 | 110.6 | I20 F26 Y27 S28 | I20-I24 HydrophobicContact CG2-CD1 3.81Å; I20-I24 HydrophobicContact CG2-CG1 4.37Å; I20-I24 WeakPolarHBondContact O-CG1 3.49Å; I20-I24 PolarHBondContact O-N 3.32Å; I24-F26 PolarHBondContact O-N 3.49Å; I24-Y27 PolarHBondContact O-N 3.29Å; I24-S28 WeakPolarHBondContact O-CB 3.49Å; I24-S28 PolarHBondContact O-N 3.16Å; I24-S28 PolarHBondContact O-OG 3.48Å; I24-S28 VanDerWaalsContact O-OG 3.12Å |
| 25 | F | 54.1 | Low | 57.9 | Low | 74 Ų | 74 | 79.1 Ų | 79.1 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 177.8 | -172.7 | -103.3 | 0 | 0 | 0 | 112.8 | R21 T22 K23 N29 T107 | R21-F25 VanDerWaalsContact O-CB 3.32Å; R21-F25 WeakPolarHBondContact O-CB 3.39Å; R21-F25 PolarHBondContact O-N 2.85Å; T22-F25 PolarHBondContact O-N 3.13Å; K23-F25 VanDerWaalsContact C-N 3.28Å; K23-F25 PolarHBondContact O-N 2.99Å; F25-N29 VanDerWaalsContact CD1-ND2 3.25Å; F25-N29 WeakPolarHBondContact CD1-ND2 3.38Å; F25-N29 WeakPolarHBondContact CE1-ND2 3.4Å; F25-N29 WeakPolarHBondContact CZ-ND2 3.34Å; F25-N29 WeakPolarHBondContact O-CB 3.31Å; F25-N29 VanDerWaalsContact O-CG 3.25Å; F25-N29 PolarHBondContact O-N 2.9Å; F25-N29 PolarHBondContact O-ND2 2.76Å; F25-T107 HydrophobicContact CE2-CG2 3.83Å; F25-T107 HydrophobicContact CZ-CG2 3.68Å |
| 26 | F | 55.7 | Low | 58.7 | Low | 81 Ų | 81 | 78.2 Ų | 78.2 | 36% | 0.355 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71 | -37.2 | 177.5 | -82.5 | -70.5 | 0 | 0 | 0 | 113 | Y14 T22 K23 I24 N29 G30 | Y14-F26 AromaticContact CD1-CE2 3.81Å; Y14-F26 HydrophobicContact CD1-CE2 3.81Å; Y14-F26 HydrophobicContact CD1-CZ 4.13Å; Y14-F26 HydrophobicContact CE1-CE2 4.05Å; Y14-F26 AromaticContact CE1-CZ 3.94Å; Y14-F26 HydrophobicContact CE1-CZ 3.94Å; Y14-F26 HydrophobicContact CE2-CZ 4.34Å; Y14-F26 HydrophobicContact CG-CD2 4.47Å; Y14-F26 HydrophobicContact CG-CE2 4.09Å; Y14-F26 HydrophobicContact CG-CZ 4.41Å; T22-F26 HydrophobicContact CG2-CD2 3.6Å; T22-F26 HydrophobicContact CG2-CE2 3.48Å; T22-F26 VanDerWaalsContact CG2-CE2 3.48Å; T22-F26 WeakPolarHBondContact O-CD2 3.26Å; T22-F26 PolarHBondContact O-N 3.14Å; K23-F26 PolarHBondContact O-N 2.88Å; I24-F26 PolarHBondContact O-N 3.49Å; F26-N29 PolarHBondContact O-N 2.8Å; F26-G30 WeakPolarHBondContact O-CA 3.46Å; F26-G30 PolarHBondContact O-N 3.37Å |
| 27 | Y | 58.3 | Low | 59.9 | Low | 102 Ų | 102 | 69.9 Ų | 69.9 | 40% | 0.4 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 174.9 | -88 | -108.3 | 0 | 0 | 0 | 111 | Y7 V11 K23 I24 T31 | Y7-Y27 WeakPolarHBondContact OH-CD1 3.5Å; Y7-Y27 WeakPolarHBondContact OH-CE1 3.41Å; V11-Y27 HydrophobicContact CG1-CE2 4.25Å; K23-Y27 WeakPolarHBondContact O-CB 3.48Å; K23-Y27 WeakPolarHBondContact O-CD2 3.15Å; K23-Y27 PolarHBondContact O-N 3.26Å; I24-Y27 PolarHBondContact O-N 3.29Å; Y27-T31 VanDerWaalsContact O-CB 3.27Å; Y27-T31 WeakPolarHBondContact O-CB 3.4Å; Y27-T31 PolarHBondContact O-N 3.19Å; Y27-T31 PolarHBondContact O-OG1 3.39Å |
| 28 | S | 61 | Low | 61 | Low | 46 Ų | 46 | 68.8 Ų | 68.8 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 176 | -67.7 | 0 | 0 | 0 | 0 | 112 | I24 L32 | I24-S28 WeakPolarHBondContact O-CB 3.49Å; I24-S28 PolarHBondContact O-N 3.16Å; I24-S28 PolarHBondContact O-OG 3.48Å; I24-S28 VanDerWaalsContact O-OG 3.12Å; S28-L32 VanDerWaalsContact O-CB 3.25Å; S28-L32 WeakPolarHBondContact O-CB 3.39Å; S28-L32 PolarHBondContact O-N 2.91Å |
| 29 | N | 63.4 | Low | 62.2 | Low | 38 Ų | 38 | 72 Ų | 72 | 20% | 0.203 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70.3 | -38.9 | 177.2 | -73.4 | -36.4 | 0 | 0 | 0 | 113 | F25 F26 L32 L33 W111 | F25-N29 VanDerWaalsContact CD1-ND2 3.25Å; F25-N29 WeakPolarHBondContact CD1-ND2 3.38Å; F25-N29 WeakPolarHBondContact CE1-ND2 3.4Å; F25-N29 WeakPolarHBondContact CZ-ND2 3.34Å; F25-N29 WeakPolarHBondContact O-CB 3.31Å; F25-N29 VanDerWaalsContact O-CG 3.25Å; F25-N29 PolarHBondContact O-N 2.9Å; F25-N29 PolarHBondContact O-ND2 2.76Å; F26-N29 PolarHBondContact O-N 2.8Å; N29-L32 PolarHBondContact O-N 2.87Å; N29-L33 VanDerWaalsContact O-CB 3.25Å; N29-L33 WeakPolarHBondContact O-CB 3.4Å; N29-L33 PolarHBondContact O-N 2.97Å; N29-W111 WeakPolarHBondContact OD1-CH2 3.25Å; N29-W111 WeakPolarHBondContact OD1-CZ2 2.99Å |
| 30 | G | 66.1 | Low | 63.1 | Low | 31 Ų | 31 | 76 Ų | 76 | 32% | 0.32 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F26 L33 L34 | F26-G30 WeakPolarHBondContact O-CA 3.46Å; F26-G30 PolarHBondContact O-N 3.37Å; G30-L33 PolarHBondContact O-N 3.26Å; G30-L34 VanDerWaalsContact O-CB 3.26Å; G30-L34 WeakPolarHBondContact O-CB 3.42Å; G30-L34 PolarHBondContact O-N 3.47Å |
| 31 | T | 65.2 | Low | 64.1 | Low | 59 Ų | 59 | 73.9 Ų | 73.9 | 36% | 0.362 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 175.2 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | Y27 L34 A35 L92 | Y27-T31 VanDerWaalsContact O-CB 3.27Å; Y27-T31 WeakPolarHBondContact O-CB 3.4Å; Y27-T31 PolarHBondContact O-N 3.19Å; Y27-T31 PolarHBondContact O-OG1 3.39Å; T31-L34 PolarHBondContact O-N 3.05Å; T31-A35 VanDerWaalsContact O-CB 3.24Å; T31-A35 WeakPolarHBondContact O-CB 3.23Å; T31-A35 PolarHBondContact O-N 3.36Å; T31-L92 HydrophobicContact CG2-CD2 4.47Å |
| 32 | L | 65.2 | Low | 65 | Low | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 176.1 | -176.9 | 65.2 | 0 | 0 | 0 | 111.6 | S28 N29 L34 A35 V36 I93 C96 L97 L100 W111 | S28-L32 VanDerWaalsContact O-CB 3.25Å; S28-L32 WeakPolarHBondContact O-CB 3.39Å; S28-L32 PolarHBondContact O-N 2.91Å; N29-L32 PolarHBondContact O-N 2.87Å; L32-L34 VanDerWaalsContact C-N 3.35Å; L32-L34 PolarHBondContact O-N 3.36Å; L32-A35 PolarHBondContact O-N 3.44Å; L32-V36 HydrophobicContact CD1-CG2 4.48Å; L32-V36 VanDerWaalsContact O-CG2 3.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.25Å; L32-V36 PolarHBondContact O-N 3.39Å; L32-I93 HydrophobicContact CD1-CB 4.49Å; L32-I93 HydrophobicContact CD1-CG1 4.42Å; L32-I93 HydrophobicContact CD1-CG2 4.08Å; L32-C96 HydrophobicContact CD1-CB 3.97Å; L32-L97 HydrophobicContact CD2-CD2 4.4Å; L32-L100 HydrophobicContact CD2-CD1 4.06Å; L32-W111 HydrophobicContact CD2-CH2 3.76Å; L32-W111 HydrophobicContact CD2-CZ3 3.7Å |
| 33 | L | 69.4 | Low | 66.2 | Low | 113 Ų | 113 | 66.3 Ų | 66.3 | 59% | 0.592 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.5 | -44.4 | 177.1 | -177.9 | 63.9 | 0 | 0 | 0 | 111 | N29 G30 A35 V36 C37 | N29-L33 VanDerWaalsContact O-CB 3.25Å; N29-L33 WeakPolarHBondContact O-CB 3.4Å; N29-L33 PolarHBondContact O-N 2.97Å; G30-L33 PolarHBondContact O-N 3.26Å; L33-A35 VanDerWaalsContact C-N 3.35Å; L33-V36 PolarHBondContact O-N 2.92Å; L33-C37 WeakPolarHBondContact O-CB 3.29Å; L33-C37 PolarHBondContact O-N 3.47Å; L33-C37 PolarHBondContact O-SG 2.79Å |
| 34 | L | 69.3 | Low | 67.6 | Low | 88 Ų | 88 | 66.9 Ų | 66.9 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 175.5 | -174.2 | 66 | 0 | 0 | 0 | 111.1 | G30 T31 L32 V36 C37 L38 | G30-L34 VanDerWaalsContact O-CB 3.26Å; G30-L34 WeakPolarHBondContact O-CB 3.42Å; G30-L34 PolarHBondContact O-N 3.47Å; T31-L34 PolarHBondContact O-N 3.05Å; L32-L34 VanDerWaalsContact C-N 3.35Å; L32-L34 PolarHBondContact O-N 3.36Å; L34-V36 PolarHBondContact O-N 2.76Å; L34-C37 PolarHBondContact O-N 2.9Å; L34-L38 HydrophobicContact CG-CD1 4.12Å; L34-L38 HydrophobicContact CG-CG 4.48Å; L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 VanDerWaalsContact O-CG 3.25Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 3.48Å |
| 35 | A | 68.2 | Low | 68.6 | Low | 3 Ų | 3 | 66.3 Ų | 66.3 | 3% | 0.025 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | T31 L32 L33 L38 Y39 L92 I93 | T31-A35 VanDerWaalsContact O-CB 3.24Å; T31-A35 WeakPolarHBondContact O-CB 3.23Å; T31-A35 PolarHBondContact O-N 3.36Å; L32-A35 PolarHBondContact O-N 3.44Å; L33-A35 VanDerWaalsContact C-N 3.35Å; A35-L38 PolarHBondContact O-N 3.43Å; A35-Y39 VanDerWaalsContact O-CB 3.25Å; A35-Y39 WeakPolarHBondContact O-CB 3.48Å; A35-Y39 PolarHBondContact O-N 3.43Å; A35-L92 HydrophobicContact CB-CD2 3.74Å; A35-I93 HydrophobicContact CB-CD1 4.32Å; A35-I93 HydrophobicContact CB-CG1 3.71Å |
| 36 | V | 70 | Confident | 69.5 | Low | 48 Ų | 48 | 63.2 Ų | 63.2 | 29% | 0.291 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 175.2 | 172 | 0 | 0 | 0 | 0 | 111.1 | L32 L33 L34 Y39 R40 I93 | L32-V36 HydrophobicContact CD1-CG2 4.48Å; L32-V36 VanDerWaalsContact O-CG2 3.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.25Å; L32-V36 PolarHBondContact O-N 3.39Å; L33-V36 PolarHBondContact O-N 2.92Å; L34-V36 PolarHBondContact O-N 2.76Å; V36-Y39 PolarHBondContact O-N 3.43Å; V36-R40 WeakPolarHBondContact O-CB 3.29Å; V36-R40 PolarHBondContact O-N 2.9Å; V36-I93 HydrophobicContact CG2-CD1 4.16Å; V36-I93 HydrophobicContact CG2-CG1 4.43Å |
| 37 | C | 73.8 | Confident | 70.7 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 48% | 0.48 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 175.2 | -76.6 | 0 | 0 | 0 | 0 | 111.7 | L33 L34 R40 N41 | L33-C37 WeakPolarHBondContact O-CB 3.29Å; L33-C37 PolarHBondContact O-N 3.47Å; L33-C37 PolarHBondContact O-SG 2.79Å; L34-C37 PolarHBondContact O-N 2.9Å; C37-R40 PolarHBondContact O-N 3.31Å; C37-N41 WeakPolarHBondContact O-CB 3.48Å; C37-N41 PolarHBondContact O-N 3.2Å |
| 38 | L | 72.9 | Confident | 71.7 | Confident | 76 Ų | 76 | 64.7 Ų | 64.7 | 40% | 0.398 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 175.5 | -72 | 172.8 | 0 | 0 | 0 | 111.1 | L34 A35 R40 N41 T42 L89 | L34-L38 HydrophobicContact CG-CD1 4.12Å; L34-L38 HydrophobicContact CG-CG 4.48Å; L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 VanDerWaalsContact O-CG 3.25Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 3.48Å; A35-L38 PolarHBondContact O-N 3.43Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 3.5Å; L38-N41 PolarHBondContact O-N 3.4Å; L38-T42 WeakPolarHBondContact O-CB 3.44Å; L38-T42 PolarHBondContact O-N 3.13Å; L38-T42 PolarHBondContact O-OG1 2.82Å; L38-L89 HydrophobicContact CB-CD1 3.88Å; L38-L89 HydrophobicContact CB-CD2 3.9Å; L38-L89 HydrophobicContact CD1-CD2 4.15Å |
| 39 | Y | 72.6 | Confident | 72.4 | Confident | 86 Ų | 86 | 64 Ų | 64 | 34% | 0.337 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 177.3 | -179.5 | -90.5 | 0 | 0 | 0 | 111.3 | A35 V36 T43 L86 L89 H90 I93 | A35-Y39 VanDerWaalsContact O-CB 3.25Å; A35-Y39 WeakPolarHBondContact O-CB 3.48Å; A35-Y39 PolarHBondContact O-N 3.43Å; V36-Y39 PolarHBondContact O-N 3.43Å; Y39-T43 VanDerWaalsContact O-CB 3.31Å; Y39-T43 WeakPolarHBondContact O-CB 3.45Å; Y39-T43 PolarHBondContact O-N 2.93Å; Y39-T43 PolarHBondContact O-OG1 2.78Å; Y39-L86 HydrophobicContact CD2-CD2 3.62Å; Y39-L86 HydrophobicContact CE2-CB 4.43Å; Y39-L86 HydrophobicContact CE2-CD2 3.73Å; Y39-L86 HydrophobicContact CG-CD2 4.23Å; Y39-L89 HydrophobicContact CD2-CB 4.33Å; Y39-H90 HydrophobicContact CE2-CB 4.38Å; Y39-I93 HydrophobicContact CD2-CD1 4.44Å; Y39-I93 HydrophobicContact CG-CD1 4.25Å |
| 40 | R | 73.9 | Confident | 73.2 | Confident | 170 Ų | 170 | 67.5 Ų | 67.5 | 64% | 0.642 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 177.4 | -170.7 | 176.9 | -175.8 | -173.9 | 0.7 | 112 | V36 C37 L38 T43 N44 | V36-R40 WeakPolarHBondContact O-CB 3.29Å; V36-R40 PolarHBondContact O-N 2.9Å; C37-R40 PolarHBondContact O-N 3.31Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 3.5Å; R40-T43 PolarHBondContact O-N 3.43Å; R40-N44 WeakPolarHBondContact O-CB 3.25Å; R40-N44 VanDerWaalsContact O-CG 3.23Å; R40-N44 PolarHBondContact O-N 2.69Å; R40-N44 PolarHBondContact O-ND2 3.32Å |
| 41 | N | 76.7 | Confident | 73.9 | Confident | 90 Ų | 90 | 72.6 Ų | 72.6 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.3 | -48.4 | 177.9 | -167.4 | 34.5 | 0 | 0 | 0 | 111.3 | C37 L38 T43 N44 E45 | C37-N41 WeakPolarHBondContact O-CB 3.48Å; C37-N41 PolarHBondContact O-N 3.2Å; L38-N41 PolarHBondContact O-N 3.4Å; N41-T43 VanDerWaalsContact C-N 3.32Å; N41-T43 PolarHBondContact O-N 2.86Å; N41-N44 WeakPolarHBondContact O-CB 3.39Å; N41-N44 PolarHBondContact O-N 3.29Å; N41-E45 PolarHBondContact O-N 2.88Å |
| 42 | T | 72.3 | Confident | 74.5 | Confident | 16 Ų | 16 | 76.8 Ų | 76.8 | 10% | 0.098 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 177.7 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | L38 E45 L46 H82 L86 | L38-T42 WeakPolarHBondContact O-CB 3.44Å; L38-T42 PolarHBondContact O-N 3.13Å; L38-T42 PolarHBondContact O-OG1 2.82Å; T42-E45 PolarHBondContact O-N 2.87Å; T42-L46 HydrophobicContact CG2-CD1 4.43Å; T42-L46 WeakPolarHBondContact O-CB 3.19Å; T42-L46 PolarHBondContact O-N 3.39Å; T42-H82 HydrophobicContact CG2-CB 4.24Å; T42-L86 HydrophobicContact CG2-CD2 3.63Å; T42-L86 HydrophobicContact CG2-CG 3.76Å |
| 43 | T | 76.6 | Confident | 74.8 | Confident | 50 Ų | 50 | 78.3 Ų | 78.3 | 31% | 0.307 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 175.9 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | Y39 R40 N41 L46 S47 L86 | Y39-T43 VanDerWaalsContact O-CB 3.31Å; Y39-T43 WeakPolarHBondContact O-CB 3.45Å; Y39-T43 PolarHBondContact O-N 2.93Å; Y39-T43 PolarHBondContact O-OG1 2.78Å; R40-T43 PolarHBondContact O-N 3.43Å; N41-T43 VanDerWaalsContact C-N 3.32Å; N41-T43 PolarHBondContact O-N 2.86Å; T43-L46 PolarHBondContact O-N 2.82Å; T43-S47 WeakPolarHBondContact O-CB 3.43Å; T43-S47 PolarHBondContact O-N 3.28Å; T43-L86 WeakPolarHBondContact OG1-CD2 3.32Å |
| 44 | N | 78.9 | Confident | 75.2 | Confident | 82 Ų | 82 | 79.7 Ų | 79.7 | 44% | 0.439 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 175.3 | -76.6 | -22.3 | 0 | 0 | 0 | 111.6 | R40 N41 S47 R48 | R40-N44 WeakPolarHBondContact O-CB 3.25Å; R40-N44 VanDerWaalsContact O-CG 3.23Å; R40-N44 PolarHBondContact O-N 2.69Å; R40-N44 PolarHBondContact O-ND2 3.32Å; N41-N44 WeakPolarHBondContact O-CB 3.39Å; N41-N44 PolarHBondContact O-N 3.29Å; N44-S47 WeakPolarHBondContact O-CB 3.3Å; N44-S47 PolarHBondContact O-N 2.88Å; N44-R48 WeakPolarHBondContact O-CG 3.17Å; N44-R48 PolarHBondContact O-N 3.05Å |
| 45 | E | 76.1 | Confident | 75.5 | Confident | 64 Ų | 64 | 82.8 Ų | 82.8 | 30% | 0.299 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 176.4 | -73.2 | -55.9 | 123.8 | 0 | 0 | 111.6 | N41 T42 S47 R48 I49 | N41-E45 PolarHBondContact O-N 2.88Å; T42-E45 PolarHBondContact O-N 2.87Å; E45-S47 VanDerWaalsContact C-N 3.31Å; E45-S47 PolarHBondContact O-N 3.23Å; E45-R48 WeakPolarHBondContact O-CB 3.47Å; E45-R48 PolarHBondContact O-N 3.01Å; E45-R48 VanDerWaalsContact O-N 3.14Å; E45-R48 WeakPolarHBondContact OE1-CD 3.49Å; E45-R48 IonicContact OE1-CZ 3.72Å; E45-R48 IonicContact OE1-NE 3.99Å; E45-R48 IonicContact OE1-NH1 2.76Å; E45-R48 PolarHBondContact OE1-NH1 3.34Å; E45-R48 IonicContact OE2-NH1 3.78Å; E45-I49 WeakPolarHBondContact O-CB 3.23Å; E45-I49 VanDerWaalsContact O-CG1 3.26Å; E45-I49 WeakPolarHBondContact O-CG1 3.34Å; E45-I49 PolarHBondContact O-N 2.89Å |
| 46 | L | 74.6 | Confident | 75.6 | Confident | 9 Ų | 9 | 87.9 Ų | 87.9 | 5% | 0.047 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -57.7 | -42.6 | 172.2 | -88.9 | 166.8 | 0 | 0 | 0 | 112.5 | T42 T43 I49 K50 C79 H82 L86 | T42-L46 HydrophobicContact CG2-CD1 4.43Å; T42-L46 WeakPolarHBondContact O-CB 3.19Å; T42-L46 PolarHBondContact O-N 3.39Å; T43-L46 PolarHBondContact O-N 2.82Å; L46-I49 PolarHBondContact O-N 3.2Å; L46-K50 WeakPolarHBondContact O-CB 3.42Å; L46-K50 WeakPolarHBondContact O-CG 3.46Å; L46-K50 PolarHBondContact O-N 2.9Å; L46-C79 HydrophobicContact CD2-CB 4.45Å; L46-H82 HydrophobicContact CD1-CB 3.7Å; L46-H82 HydrophobicContact CD2-CB 3.61Å; L46-H82 HydrophobicContact CG-CB 3.56Å; L46-L86 HydrophobicContact CD1-CD1 3.24Å; L46-L86 HydrophobicContact CD1-CG 3.9Å |
| 47 | S | 79.7 | Confident | 75.4 | Confident | 51 Ų | 51 | 92 Ų | 92 | 36% | 0.357 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 176.2 | -171.5 | 0 | 0 | 0 | 0 | 111.7 | T43 N44 E45 K50 K51 | T43-S47 WeakPolarHBondContact O-CB 3.43Å; T43-S47 PolarHBondContact O-N 3.28Å; N44-S47 WeakPolarHBondContact O-CB 3.3Å; N44-S47 PolarHBondContact O-N 2.88Å; E45-S47 VanDerWaalsContact C-N 3.31Å; E45-S47 PolarHBondContact O-N 3.23Å; S47-K50 PolarHBondContact O-N 2.81Å; S47-K51 WeakPolarHBondContact O-CB 3.41Å; S47-K51 VanDerWaalsContact O-CG 3.27Å; S47-K51 WeakPolarHBondContact O-CG 3.43Å; S47-K51 PolarHBondContact O-N 3.16Å |
| 48 | R | 80.2 | Confident | 75.2 | Confident | 163 Ų | 163 | 95.5 Ų | 95.5 | 62% | 0.615 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.2 | -45.7 | 174.2 | -72.8 | 174.9 | 74.5 | -172.9 | 5.6 | 111.5 | N44 E45 K51 W52 | N44-R48 WeakPolarHBondContact O-CG 3.17Å; N44-R48 PolarHBondContact O-N 3.05Å; E45-R48 WeakPolarHBondContact O-CB 3.47Å; E45-R48 PolarHBondContact O-N 3.01Å; E45-R48 VanDerWaalsContact O-N 3.14Å; E45-R48 WeakPolarHBondContact OE1-CD 3.49Å; E45-R48 IonicContact OE1-CZ 3.72Å; E45-R48 IonicContact OE1-NE 3.99Å; E45-R48 IonicContact OE1-NH1 2.76Å; E45-R48 PolarHBondContact OE1-NH1 3.34Å; E45-R48 IonicContact OE2-NH1 3.78Å; R48-K51 PolarHBondContact O-N 3.42Å; R48-W52 WeakPolarHBondContact O-CB 3.4Å; R48-W52 PolarHBondContact O-N 2.91Å |
| 49 | I | 76.1 | Confident | 74.7 | Confident | 33 Ų | 33 | 97.7 Ų | 97.7 | 17% | 0.169 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 177 | -70.3 | 164.9 | 0 | 0 | 0 | 110.5 | E45 L46 K51 W52 N53 Y75 | E45-I49 WeakPolarHBondContact O-CB 3.23Å; E45-I49 VanDerWaalsContact O-CG1 3.26Å; E45-I49 WeakPolarHBondContact O-CG1 3.34Å; E45-I49 PolarHBondContact O-N 2.89Å; L46-I49 PolarHBondContact O-N 3.2Å; I49-K51 PolarHBondContact O-N 3.41Å; I49-W52 PolarHBondContact O-N 3.45Å; I49-N53 PolarHBondContact O-N 3.39Å; I49-Y75 HydrophobicContact CG2-CD2 3.85Å; I49-Y75 HydrophobicContact CG2-CE2 3.35Å |
| 50 | K | 78.6 | Confident | 74 | Confident | 110 Ų | 110 | 98.5 Ų | 98.5 | 48% | 0.478 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 175.8 | -75.5 | 179.8 | -179.5 | -177.7 | 0 | 111.9 | L46 S47 N53 K54 | L46-K50 WeakPolarHBondContact O-CB 3.42Å; L46-K50 WeakPolarHBondContact O-CG 3.46Å; L46-K50 PolarHBondContact O-N 2.9Å; S47-K50 PolarHBondContact O-N 2.81Å; K50-N53 PolarHBondContact O-N 2.84Å; K50-K54 PolarHBondContact O-N 3.16Å |
| 51 | K | 81.6 | Confident | 73.2 | Confident | 139 Ų | 139 | 97 Ų | 97 | 60% | 0.604 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.5 | -41.9 | 176.1 | -76.9 | 176 | -176.3 | 178.5 | 0 | 111.9 | S47 R48 I49 K54 K55 | S47-K51 WeakPolarHBondContact O-CB 3.41Å; S47-K51 VanDerWaalsContact O-CG 3.27Å; S47-K51 WeakPolarHBondContact O-CG 3.43Å; S47-K51 PolarHBondContact O-N 3.16Å; R48-K51 PolarHBondContact O-N 3.42Å; I49-K51 PolarHBondContact O-N 3.41Å; K51-K54 PolarHBondContact O-N 3.31Å; K51-K55 PolarHBondContact O-N 3.01Å |
| 52 | W | 77.1 | Confident | 72.3 | Confident | 146 Ų | 146 | 103.2 Ų | 103.2 | 55% | 0.553 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.8 | -43.5 | 177.7 | -177.9 | 88.2 | 0 | 0 | 0 | 111.7 | R48 I49 K54 K55 K56 | R48-W52 WeakPolarHBondContact O-CB 3.4Å; R48-W52 PolarHBondContact O-N 2.91Å; I49-W52 PolarHBondContact O-N 3.45Å; W52-K54 PolarHBondContact O-N 2.87Å; W52-K55 PolarHBondContact O-N 3.25Å; W52-K56 HydrophobicContact CD2-CD 4.16Å; W52-K56 HydrophobicContact CD2-CG 4.39Å; W52-K56 HydrophobicContact CE3-CD 3.99Å; W52-K56 HydrophobicContact CH2-CD 3.65Å; W52-K56 HydrophobicContact CZ2-CD 3.74Å; W52-K56 HydrophobicContact CZ3-CD 3.72Å; W52-K56 PolarHBondContact O-N 3.34Å |
| 53 | N | 73.2 | Confident | 71.7 | Confident | 36 Ų | 36 | 107 Ų | 107 | 19% | 0.193 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -64 | -41.3 | 175.7 | -166.1 | 15.3 | 0 | 0 | 0 | 111.9 | I49 K50 K55 K56 K57 Y75 | I49-N53 PolarHBondContact O-N 3.39Å; K50-N53 PolarHBondContact O-N 2.84Å; N53-K55 VanDerWaalsContact C-N 3.33Å; N53-K55 PolarHBondContact O-N 3.11Å; N53-K56 PolarHBondContact O-N 3.17Å; N53-K57 WeakPolarHBondContact O-CG 3.45Å; N53-K57 PolarHBondContact O-N 3.49Å; N53-Y75 HydrophobicContact CB-CD2 4.09Å; N53-Y75 HydrophobicContact CB-CE2 3.47Å; N53-Y75 VanDerWaalsContact CB-CE2 3.47Å; N53-Y75 VanDerWaalsContact ND2-CE1 3.3Å; N53-Y75 WeakPolarHBondContact ND2-CE1 3.25Å; N53-Y75 WeakPolarHBondContact ND2-CE2 3.49Å |
| 54 | K | 76.4 | Confident | 70.5 | Confident | 142 Ų | 142 | 113.7 Ų | 113.7 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.9 | -40.2 | 174.6 | -167.4 | 173.5 | -174.8 | 174.1 | 0 | 112.1 | K50 K51 W52 K58 | K50-K54 PolarHBondContact O-N 3.16Å; K51-K54 PolarHBondContact O-N 3.31Å; W52-K54 PolarHBondContact O-N 2.87Å; K54-K58 WeakPolarHBondContact O-CG 3.33Å; K54-K58 PolarHBondContact O-N 3.16Å; K54-K58 VanDerWaalsContact O-N 3.15Å |
| 55 | K | 76 | Confident | 69.2 | Low | 154 Ų | 154 | 113.5 Ų | 113.5 | 67% | 0.67 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.4 | -43.3 | 173.9 | -75.7 | -174.8 | 177.8 | -174.4 | 0 | 111.9 | K51 W52 N53 K58 N59 | K51-K55 PolarHBondContact O-N 3.01Å; W52-K55 PolarHBondContact O-N 3.25Å; N53-K55 VanDerWaalsContact C-N 3.33Å; N53-K55 PolarHBondContact O-N 3.11Å; K55-K58 PolarHBondContact O-N 3.49Å; K55-N59 PolarHBondContact O-N 3.3Å |
| 56 | K | 70 | Confident | 67.9 | Low | 109 Ų | 109 | 119 Ų | 119 | 47% | 0.474 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.9 | -43.9 | 176.1 | -83.7 | -164.1 | 162.1 | -174.9 | 0 | 112.7 | W52 N53 K58 N59 K60 | W52-K56 HydrophobicContact CD2-CD 4.16Å; W52-K56 HydrophobicContact CD2-CG 4.39Å; W52-K56 HydrophobicContact CE3-CD 3.99Å; W52-K56 HydrophobicContact CH2-CD 3.65Å; W52-K56 HydrophobicContact CZ2-CD 3.74Å; W52-K56 HydrophobicContact CZ3-CD 3.72Å; W52-K56 PolarHBondContact O-N 3.34Å; N53-K56 PolarHBondContact O-N 3.17Å; K56-K58 VanDerWaalsContact C-N 3.33Å; K56-K58 PolarHBondContact O-N 3.24Å; K56-N59 PolarHBondContact O-N 2.86Å; K56-K60 PolarHBondContact O-N 2.87Å |
| 57 | K | 66.8 | Low | 66.4 | Low | 135 Ų | 135 | 127.9 Ų | 127.9 | 59% | 0.587 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.1 | -40.3 | 175.2 | -72.4 | -173.9 | 178 | -173 | 0 | 112.2 | N53 K60 N61 | N53-K57 WeakPolarHBondContact O-CG 3.45Å; N53-K57 PolarHBondContact O-N 3.49Å; K57-K60 PolarHBondContact O-N 2.83Å; K57-N61 PolarHBondContact O-N 3.48Å |
| 58 | K | 69.1 | Low | 65.1 | Low | 145 Ų | 145 | 130.7 Ų | 130.7 | 63% | 0.63 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.1 | -39.5 | 175.9 | -75.4 | -174.4 | 174.4 | -164.6 | 0 | 113.2 | K54 K55 K56 | K54-K58 WeakPolarHBondContact O-CG 3.33Å; K54-K58 PolarHBondContact O-N 3.16Å; K54-K58 VanDerWaalsContact O-N 3.15Å; K55-K58 PolarHBondContact O-N 3.49Å; K56-K58 VanDerWaalsContact C-N 3.33Å; K56-K58 PolarHBondContact O-N 3.24Å |
| 59 | N | 62.9 | Low | 63.5 | Low | 121 Ų | 121 | 128.7 Ų | 128.7 | 65% | 0.647 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.8 | -34.5 | 175.6 | -84.6 | 10.6 | 0 | 0 | 0 | 112.3 | K55 K56 N61 R62 | K55-N59 PolarHBondContact O-N 3.3Å; K56-N59 PolarHBondContact O-N 2.86Å; N59-N61 VanDerWaalsContact C-N 3.33Å; N59-N61 PolarHBondContact O-N 3.49Å; N59-R62 PolarHBondContact O-N 3.38Å |
| 60 | K | 56.7 | Low | 62.2 | Low | 103 Ų | 103 | 131.5 Ų | 131.5 | 45% | 0.448 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -66.2 | -33.5 | 178.1 | -163.7 | 171.6 | -177.2 | 174.3 | 0 | 112.7 | K56 K57 R62 S63 T68 | K56-K60 PolarHBondContact O-N 2.87Å; K57-K60 PolarHBondContact O-N 2.83Å; K60-R62 PolarHBondContact O-N 3.45Å; K60-S63 PolarHBondContact O-N 3.22Å; K60-T68 PolarHBondContact NZ-O 3.24Å |
| 61 | N | 58.1 | Low | 60.9 | Low | 138 Ų | 138 | 129.4 Ų | 129.4 | 74% | 0.738 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -4.2 | 176.1 | -73 | 9.9 | 0 | 0 | 0 | 114.2 | K57 N59 | K57-N61 PolarHBondContact O-N 3.48Å; N59-N61 VanDerWaalsContact C-N 3.33Å; N59-N61 PolarHBondContact O-N 3.49Å |
| 62 | R | 58 | Low | 59.5 | Low | 222 Ų | 222 | 126.5 Ų | 126.5 | 84% | 0.838 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -5.8 | 174.7 | -154 | 174.5 | -177.4 | 177.2 | 0.4 | 112.6 | N59 K60 | N59-R62 PolarHBondContact O-N 3.38Å; K60-R62 PolarHBondContact O-N 3.45Å |
| 63 | S | 58.8 | Low | 58.6 | Low | 94 Ų | 94 | 123 Ų | 123 | 66% | 0.657 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -128.1 | 71.2 | 178.6 | -59.4 | 0 | 0 | 0 | 0 | 108.5 | K60 G65 | K60-S63 PolarHBondContact O-N 3.22Å; S63-G65 PolarHBondContact O-N 3.48Å |
| 64 | E | 51.3 | Low | 58.5 | Low | 192 Ų | 192 | 125.3 Ų | 125.3 | 90% | 0.897 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 123.7 | 164.1 | -65.2 | 178.4 | 146.2 | 0 | 0 | 108.4 | ||
| 65 | G | 52 | Low | 58 | Low | 77 Ų | 77 | 121.2 Ų | 121.2 | 79% | 0.794 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 152.7 | -26.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | S63 | S63-G65 PolarHBondContact O-N 3.48Š|
| 66 | Q | 49 | Very low | 57.6 | Low | 179 Ų | 179 | 119.7 Ų | 119.7 | 84% | 0.836 | 64% | 0.638 | S | S | * | * | trans | -137.1 | 112 | -175.8 | -88.3 | 174.2 | -12.1 | 0 | 0 | 114.4 | T68 | Q66-T68 PolarHBondContact O-N 3.49Š| ||
| 67 | Q | 42.7 | Very low | 57.8 | Low | 197 Ų | 197 | 119.1 Ų | 119.1 | 92% | 0.921 | 64% | 0.637 | S | S | * | * | trans | -50.1 | 109.6 | 160.2 | -75.9 | 169.7 | -38.1 | 0 | 0 | 110.6 | ||||
| 68 | T | 52.2 | Low | 57.9 | Low | 110 Ų | 110 | 114.8 Ų | 114.8 | 68% | 0.675 | 62% | 0.624 | S | S | * | * | trans | -144.2 | 119.8 | 139.7 | 43.8 | 0 | 0 | 0 | 0 | 106.6 | K60 Q66 P70 | K60-T68 PolarHBondContact NZ-O 3.24Å; Q66-T68 PolarHBondContact O-N 3.49Å; T68-P70 WeakPolarHBondContact O-CD 3.26Å | ||
| 69 | S | 46 | Very low | 57.9 | Low | 120 Ų | 120 | 108.4 Ų | 108.4 | 84% | 0.839 | 60% | 0.597 | S | S | * | * | trans | -71.6 | 105.5 | 171.6 | -59.9 | 0 | 0 | 0 | 0 | 107.6 | S71 | S69-S71 PolarHBondContact O-N 3.41Š| ||
| 70 | P | 50.7 | Low | 58.5 | Low | 93 Ų | 93 | 104.7 Ų | 104.7 | 60% | 0.604 | 58% | 0.58 | S | S | * | * | trans | -82.1 | 95.2 | 176.3 | 16.6 | 2.2 | 0 | 0 | 0 | 106 | T68 S72 | T68-P70 WeakPolarHBondContact O-CD 3.26Å; P70-S72 PolarHBondContact O-N 2.75Å; P70-S72 VanDerWaalsContact O-N 3.13Å | ||
| 71 | S | 50.5 | Low | 59.3 | Low | 65 Ų | 65 | 105.1 Ų | 105.1 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | trans | 20.8 | 79 | 163.2 | 60.4 | 0 | 0 | 0 | 0 | 115.6 | S69 S73 T74 | S69-S71 PolarHBondContact O-N 3.41Å; S71-S73 PolarHBondContact O-N 2.82Å; S71-S73 VanDerWaalsContact O-N 3.16Å; S71-T74 VanDerWaalsContact CB-OG1 3.23Å; S71-T74 WeakPolarHBondContact CB-OG1 3.24Å; S71-T74 PolarHBondContact O-N 3.28Å; S71-T74 PolarHBondContact O-OG1 3.33Å; S71-T74 PolarHBondContact OG-OG1 2.87Å | ||
| 72 | S | 52.6 | Low | 60 | Low | 78 Ų | 78 | 100.6 Ų | 100.6 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -56.3 | -28.9 | 169.5 | 72.6 | 0 | 0 | 0 | 0 | 111 | P70 T74 Y75 E76 | P70-S72 PolarHBondContact O-N 2.75Å; P70-S72 VanDerWaalsContact O-N 3.13Å; S72-T74 PolarHBondContact O-N 3.33Å; S72-Y75 PolarHBondContact O-N 3.35Å; S72-E76 WeakPolarHBondContact O-CB 3.49Å; S72-E76 WeakPolarHBondContact O-CG 3.41Å; S72-E76 PolarHBondContact O-N 3.47Å |
| 73 | S | 58.4 | Low | 60.7 | Low | 74 Ų | 74 | 94.3 Ų | 94.3 | 52% | 0.517 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -54.3 | -47.6 | 177.7 | 59.2 | 0 | 0 | 0 | 0 | 113 | S71 Y75 E77 | S71-S73 PolarHBondContact O-N 2.82Å; S71-S73 VanDerWaalsContact O-N 3.16Å; S73-Y75 PolarHBondContact O-N 3.35Å; S73-E77 WeakPolarHBondContact O-CB 3.25Å; S73-E77 PolarHBondContact O-N 3.35Å |
| 74 | T | 70.8 | Confident | 61.6 | Low | 83 Ų | 83 | 98.3 Ų | 98.3 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.2 | -35.5 | -175.5 | 8.7 | 0 | 0 | 0 | 0 | 112.7 | S71 S72 C78 | S71-T74 VanDerWaalsContact CB-OG1 3.23Å; S71-T74 WeakPolarHBondContact CB-OG1 3.24Å; S71-T74 PolarHBondContact O-N 3.28Å; S71-T74 PolarHBondContact O-OG1 3.33Å; S71-T74 PolarHBondContact OG-OG1 2.87Å; S72-T74 PolarHBondContact O-N 3.33Å; T74-C78 WeakPolarHBondContact O-CB 3.45Å; T74-C78 PolarHBondContact O-N 2.92Å |
| 75 | Y | 65.8 | Low | 62.5 | Low | 57 Ų | 57 | 94 Ų | 94 | 22% | 0.224 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -71.9 | -48.1 | 177.4 | 172 | -90.2 | 0 | 0 | 0 | 111.6 | I49 N53 S72 S73 E77 C78 C79 | I49-Y75 HydrophobicContact CG2-CD2 3.85Å; I49-Y75 HydrophobicContact CG2-CE2 3.35Å; N53-Y75 HydrophobicContact CB-CD2 4.09Å; N53-Y75 HydrophobicContact CB-CE2 3.47Å; N53-Y75 VanDerWaalsContact CB-CE2 3.47Å; N53-Y75 VanDerWaalsContact ND2-CE1 3.3Å; N53-Y75 WeakPolarHBondContact ND2-CE1 3.25Å; N53-Y75 WeakPolarHBondContact ND2-CE2 3.49Å; S72-Y75 PolarHBondContact O-N 3.35Å; S73-Y75 PolarHBondContact O-N 3.35Å; Y75-E77 VanDerWaalsContact C-N 3.35Å; Y75-C78 PolarHBondContact O-N 2.82Å; Y75-C79 VanDerWaalsContact CE1-SG 3.53Å; Y75-C79 PolarHBondContact O-N 3.09Å; Y75-C79 PolarHBondContact O-SG 3.44Å |
| 76 | E | 67.9 | Low | 63.5 | Low | 121 Ų | 121 | 91.5 Ų | 91.5 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67 | -39.1 | -178.9 | -70.9 | 178.7 | 168 | 0 | 0 | 110.9 | S72 C79 S80 | S72-E76 WeakPolarHBondContact O-CB 3.49Å; S72-E76 WeakPolarHBondContact O-CG 3.41Å; S72-E76 PolarHBondContact O-N 3.47Å; E76-C79 PolarHBondContact O-N 3.24Å; E76-S80 VanDerWaalsContact O-CB 3.25Å; E76-S80 WeakPolarHBondContact O-CB 3.36Å; E76-S80 PolarHBondContact O-N 3.09Å |
| 77 | E | 72.8 | Confident | 64.6 | Low | 98 Ų | 98 | 87.9 Ų | 87.9 | 46% | 0.458 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 173.5 | -168.7 | -171.8 | 161.9 | 0 | 0 | 111.5 | S73 Y75 S80 K81 | S73-E77 WeakPolarHBondContact O-CB 3.25Å; S73-E77 PolarHBondContact O-N 3.35Å; Y75-E77 VanDerWaalsContact C-N 3.35Å; E77-S80 PolarHBondContact O-N 2.83Å; E77-K81 HydrophobicContact CG-CD 4.48Å; E77-K81 WeakPolarHBondContact O-CB 3.43Å; E77-K81 VanDerWaalsContact O-CG 3.29Å; E77-K81 WeakPolarHBondContact O-CG 3.47Å; E77-K81 PolarHBondContact O-N 2.83Å; E77-K81 VanDerWaalsContact OE1-CE 3.23Å; E77-K81 WeakPolarHBondContact OE1-CE 3.49Å; E77-K81 IonicContact OE1-NZ 2.69Å; E77-K81 PolarHBondContact OE1-NZ 3.47Å |
| 78 | C | 69.7 | Low | 66.1 | Low | 44 Ų | 44 | 82.4 Ų | 82.4 | 30% | 0.297 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 175.3 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | T74 Y75 S80 K81 H82 | T74-C78 WeakPolarHBondContact O-CB 3.45Å; T74-C78 PolarHBondContact O-N 2.92Å; Y75-C78 PolarHBondContact O-N 2.82Å; C78-S80 PolarHBondContact O-N 3.44Å; C78-K81 PolarHBondContact O-N 3.09Å; C78-H82 PolarHBondContact O-N 2.93Å; C78-H82 PolarHBondContact O-ND1 2.89Å; C78-H82 PolarHBondContact SG-CE1 2.88Å |
| 79 | C | 69.9 | Low | 66.8 | Low | 10 Ų | 10 | 78.2 Ų | 78.2 | 7% | 0.068 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62 | -44.5 | 175.9 | -68.5 | 0 | 0 | 0 | 0 | 111.1 | L46 Y75 E76 K81 H82 E83 | L46-C79 HydrophobicContact CD2-CB 4.45Å; Y75-C79 VanDerWaalsContact CE1-SG 3.53Å; Y75-C79 PolarHBondContact O-N 3.09Å; Y75-C79 PolarHBondContact O-SG 3.44Å; E76-C79 PolarHBondContact O-N 3.24Å; C79-K81 VanDerWaalsContact C-N 3.35Å; C79-K81 PolarHBondContact O-N 3.43Å; C79-H82 PolarHBondContact O-N 3.45Å; C79-E83 WeakPolarHBondContact O-CB 3.23Å; C79-E83 WeakPolarHBondContact O-CG 3.44Å; C79-E83 PolarHBondContact O-N 3.48Å |
| 80 | S | 74.2 | Confident | 67.8 | Low | 43 Ų | 43 | 75.8 Ų | 75.8 | 30% | 0.301 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 177.8 | -170.1 | 0 | 0 | 0 | 0 | 112 | E76 E77 C78 E83 R84 | E76-S80 VanDerWaalsContact O-CB 3.25Å; E76-S80 WeakPolarHBondContact O-CB 3.36Å; E76-S80 PolarHBondContact O-N 3.09Å; E77-S80 PolarHBondContact O-N 2.83Å; C78-S80 PolarHBondContact O-N 3.44Å; S80-E83 PolarHBondContact O-N 3.38Å; S80-R84 WeakPolarHBondContact O-CB 3.36Å; S80-R84 VanDerWaalsContact O-CG 3.29Å; S80-R84 WeakPolarHBondContact O-CG 3.19Å; S80-R84 PolarHBondContact O-N 2.83Å |
| 81 | K | 74.8 | Confident | 68.8 | Low | 113 Ų | 113 | 74.4 Ų | 74.4 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 173.9 | -77 | 172.9 | -176.2 | 168.3 | 0 | 111.6 | E77 C78 C79 R84 Q85 | E77-K81 HydrophobicContact CG-CD 4.48Å; E77-K81 WeakPolarHBondContact O-CB 3.43Å; E77-K81 VanDerWaalsContact O-CG 3.29Å; E77-K81 WeakPolarHBondContact O-CG 3.47Å; E77-K81 PolarHBondContact O-N 2.83Å; E77-K81 VanDerWaalsContact OE1-CE 3.23Å; E77-K81 WeakPolarHBondContact OE1-CE 3.49Å; E77-K81 IonicContact OE1-NZ 2.69Å; E77-K81 PolarHBondContact OE1-NZ 3.47Å; C78-K81 PolarHBondContact O-N 3.09Å; C79-K81 VanDerWaalsContact C-N 3.35Å; C79-K81 PolarHBondContact O-N 3.43Å; K81-R84 PolarHBondContact O-N 3.43Å; K81-Q85 WeakPolarHBondContact O-CG 3.37Å; K81-Q85 PolarHBondContact O-N 2.88Å |
| 82 | H | 72.1 | Confident | 69.5 | Low | 42 Ų | 42 | 75 Ų | 75 | 19% | 0.194 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.9 | -35.9 | 178.9 | -72.5 | 77.1 | 0 | 0 | 0 | 112.3 | T42 L46 C78 C79 Q85 L86 | T42-H82 HydrophobicContact CG2-CB 4.24Å; L46-H82 HydrophobicContact CD1-CB 3.7Å; L46-H82 HydrophobicContact CD2-CB 3.61Å; L46-H82 HydrophobicContact CG-CB 3.56Å; C78-H82 PolarHBondContact O-N 2.93Å; C78-H82 PolarHBondContact O-ND1 2.89Å; C78-H82 PolarHBondContact SG-CE1 2.88Å; C79-H82 PolarHBondContact O-N 3.45Å; H82-Q85 PolarHBondContact O-N 3.23Å; H82-L86 WeakPolarHBondContact O-CG 3.25Å; H82-L86 PolarHBondContact O-N 3.37Å |
| 83 | E | 73.3 | Confident | 70.1 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 42% | 0.421 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 174.3 | -76.9 | 176.1 | 173.1 | 0 | 0 | 111.5 | C79 S80 L86 N87 | C79-E83 WeakPolarHBondContact O-CB 3.23Å; C79-E83 WeakPolarHBondContact O-CG 3.44Å; C79-E83 PolarHBondContact O-N 3.48Å; S80-E83 PolarHBondContact O-N 3.38Å; E83-L86 PolarHBondContact O-N 3.33Å; E83-N87 WeakPolarHBondContact O-CB 3.45Å; E83-N87 PolarHBondContact O-N 3.04Å; E83-N87 PolarHBondContact O-ND2 3.14Å |
| 84 | R | 76.3 | Confident | 70.4 | Confident | 178 Ų | 178 | 75.4 Ų | 75.4 | 67% | 0.672 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 171.4 | -72.3 | 176.6 | -168.4 | -173.2 | 3.2 | 111.8 | S80 K81 N87 S88 | S80-R84 WeakPolarHBondContact O-CB 3.36Å; S80-R84 VanDerWaalsContact O-CG 3.29Å; S80-R84 WeakPolarHBondContact O-CG 3.19Å; S80-R84 PolarHBondContact O-N 2.83Å; K81-R84 PolarHBondContact O-N 3.43Å; R84-N87 PolarHBondContact O-N 3.41Å; R84-S88 WeakPolarHBondContact O-CB 3.19Å; R84-S88 PolarHBondContact O-N 3Å |
| 85 | Q | 71 | Confident | 70.2 | Confident | 103 Ų | 103 | 77 Ų | 77 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 175.2 | -75 | 178.2 | -26.2 | 0 | 0 | 112 | K81 H82 S88 L89 | K81-Q85 WeakPolarHBondContact O-CG 3.37Å; K81-Q85 PolarHBondContact O-N 2.88Å; H82-Q85 PolarHBondContact O-N 3.23Å; Q85-S88 PolarHBondContact O-N 3.41Å; Q85-L89 WeakPolarHBondContact O-CB 3.48Å; Q85-L89 WeakPolarHBondContact O-CG 3.2Å; Q85-L89 PolarHBondContact O-N 3.24Å |
| 86 | L | 71.9 | Confident | 70 | Confident | 24 Ų | 24 | 75.8 Ų | 75.8 | 13% | 0.126 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 174.2 | -77.1 | -175.1 | 0 | 0 | 0 | 111.7 | Y39 T42 T43 L46 H82 E83 S88 L89 H90 | Y39-L86 HydrophobicContact CD2-CD2 3.62Å; Y39-L86 HydrophobicContact CE2-CB 4.43Å; Y39-L86 HydrophobicContact CE2-CD2 3.73Å; Y39-L86 HydrophobicContact CG-CD2 4.23Å; T42-L86 HydrophobicContact CG2-CD2 3.63Å; T42-L86 HydrophobicContact CG2-CG 3.76Å; T43-L86 WeakPolarHBondContact OG1-CD2 3.32Å; L46-L86 HydrophobicContact CD1-CD1 3.24Å; L46-L86 HydrophobicContact CD1-CG 3.9Å; H82-L86 WeakPolarHBondContact O-CG 3.25Å; H82-L86 PolarHBondContact O-N 3.37Å; E83-L86 PolarHBondContact O-N 3.33Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.39Å; L86-L89 PolarHBondContact O-N 2.76Å; L86-H90 WeakPolarHBondContact O-CB 3.3Å; L86-H90 PolarHBondContact O-N 3.44Å |
| 87 | N | 73.1 | Confident | 69.7 | Low | 103 Ų | 103 | 72 Ų | 72 | 55% | 0.551 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.2 | -40.4 | 177.1 | -74.4 | -22.1 | 0 | 0 | 0 | 111.5 | E83 R84 H90 S91 | E83-N87 WeakPolarHBondContact O-CB 3.45Å; E83-N87 PolarHBondContact O-N 3.04Å; E83-N87 PolarHBondContact O-ND2 3.14Å; R84-N87 PolarHBondContact O-N 3.41Å; N87-H90 PolarHBondContact O-N 3.37Å; N87-S91 WeakPolarHBondContact O-CB 3.29Å; N87-S91 PolarHBondContact O-N 3.35Å; N87-S91 PolarHBondContact O-OG 3.33Å; N87-S91 VanDerWaalsContact O-OG 3.09Å |
| 88 | S | 73.4 | Confident | 69.3 | Low | 81 Ų | 81 | 72.9 Ų | 72.9 | 57% | 0.566 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.8 | -46.9 | 174.6 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | R84 Q85 L86 H90 S91 L92 | R84-S88 WeakPolarHBondContact O-CB 3.19Å; R84-S88 PolarHBondContact O-N 3Å; Q85-S88 PolarHBondContact O-N 3.41Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.39Å; S88-H90 VanDerWaalsContact C-N 3.35Å; S88-H90 PolarHBondContact O-N 2.99Å; S88-S91 PolarHBondContact O-N 2.85Å; S88-L92 WeakPolarHBondContact O-CB 3.27Å; S88-L92 PolarHBondContact O-N 3.1Å |
| 89 | L | 67.9 | Low | 68.8 | Low | 23 Ų | 23 | 72.6 Ų | 72.6 | 12% | 0.12 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 176.3 | -74.1 | 167.6 | 0 | 0 | 0 | 111.8 | L38 Y39 Q85 L86 L92 I93 | L38-L89 HydrophobicContact CB-CD1 3.88Å; L38-L89 HydrophobicContact CB-CD2 3.9Å; L38-L89 HydrophobicContact CD1-CD2 4.15Å; Y39-L89 HydrophobicContact CD2-CB 4.33Å; Q85-L89 WeakPolarHBondContact O-CB 3.48Å; Q85-L89 WeakPolarHBondContact O-CG 3.2Å; Q85-L89 PolarHBondContact O-N 3.24Å; L86-L89 PolarHBondContact O-N 2.76Å; L89-L92 WeakPolarHBondContact O-CB 3.36Å; L89-L92 PolarHBondContact O-N 3.28Å; L89-I93 WeakPolarHBondContact O-CB 3.16Å; L89-I93 WeakPolarHBondContact O-CD1 3.25Å; L89-I93 WeakPolarHBondContact O-CG1 3Å; L89-I93 PolarHBondContact O-N 2.83Å |
| 90 | H | 67.7 | Low | 68 | Low | 68 Ų | 68 | 73.5 Ų | 73.5 | 32% | 0.315 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 177.8 | -169.4 | -178.5 | 0 | 0 | 0 | 110.9 | Y39 L86 N87 S88 L92 I93 R94 | Y39-H90 HydrophobicContact CE2-CB 4.38Å; L86-H90 WeakPolarHBondContact O-CB 3.3Å; L86-H90 PolarHBondContact O-N 3.44Å; N87-H90 PolarHBondContact O-N 3.37Å; S88-H90 VanDerWaalsContact C-N 3.35Å; S88-H90 PolarHBondContact O-N 2.99Å; H90-L92 VanDerWaalsContact C-N 3.35Å; H90-I93 PolarHBondContact O-N 3.43Å; H90-R94 PolarHBondContact CE1-NH2 2.99Å; H90-R94 PolarHBondContact NE2-NE 2.96Å; H90-R94 VanDerWaalsContact NE2-NE 3.17Å; H90-R94 WeakPolarHBondContact O-CB 3.33Å; H90-R94 WeakPolarHBondContact O-CG 3.24Å; H90-R94 PolarHBondContact O-N 3.02Å |
| 91 | S | 70.1 | Confident | 67 | Low | 65 Ų | 65 | 78.7 Ų | 78.7 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 172.1 | -67.5 | 0 | 0 | 0 | 0 | 112 | N87 S88 R94 N95 | N87-S91 WeakPolarHBondContact O-CB 3.29Å; N87-S91 PolarHBondContact O-N 3.35Å; N87-S91 PolarHBondContact O-OG 3.33Å; N87-S91 VanDerWaalsContact O-OG 3.09Å; S88-S91 PolarHBondContact O-N 2.85Å; S91-R94 PolarHBondContact O-N 2.85Å; S91-N95 WeakPolarHBondContact O-CB 3.38Å; S91-N95 VanDerWaalsContact O-CG 3.24Å; S91-N95 PolarHBondContact O-N 3.49Å |
| 92 | L | 65.4 | Low | 66 | Low | 77 Ų | 77 | 80 Ų | 80 | 40% | 0.403 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62 | -48.4 | 175.1 | -168 | 91.1 | 0 | 0 | 0 | 110.9 | T31 A35 S88 L89 H90 R94 N95 C96 | T31-L92 HydrophobicContact CG2-CD2 4.47Å; A35-L92 HydrophobicContact CB-CD2 3.74Å; S88-L92 WeakPolarHBondContact O-CB 3.27Å; S88-L92 PolarHBondContact O-N 3.1Å; L89-L92 WeakPolarHBondContact O-CB 3.36Å; L89-L92 PolarHBondContact O-N 3.28Å; H90-L92 VanDerWaalsContact C-N 3.35Å; L92-R94 VanDerWaalsContact C-N 3.33Å; L92-R94 PolarHBondContact O-N 3.29Å; L92-N95 PolarHBondContact O-N 2.77Å; L92-C96 WeakPolarHBondContact O-CB 2.76Å; L92-C96 PolarHBondContact O-N 3.48Å; L92-C96 PolarHBondContact O-SG 2.85Å |
| 93 | I | 64.7 | Low | 64.9 | Low | 19 Ų | 19 | 84 Ų | 84 | 10% | 0.097 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.5 | -45 | 176.6 | -69.6 | 164.2 | 0 | 0 | 0 | 110.1 | L32 A35 V36 Y39 L89 H90 C96 L97 | L32-I93 HydrophobicContact CD1-CB 4.49Å; L32-I93 HydrophobicContact CD1-CG1 4.42Å; L32-I93 HydrophobicContact CD1-CG2 4.08Å; A35-I93 HydrophobicContact CB-CD1 4.32Å; A35-I93 HydrophobicContact CB-CG1 3.71Å; V36-I93 HydrophobicContact CG2-CD1 4.16Å; V36-I93 HydrophobicContact CG2-CG1 4.43Å; Y39-I93 HydrophobicContact CD2-CD1 4.44Å; Y39-I93 HydrophobicContact CG-CD1 4.25Å; L89-I93 WeakPolarHBondContact O-CB 3.16Å; L89-I93 WeakPolarHBondContact O-CD1 3.25Å; L89-I93 WeakPolarHBondContact O-CG1 3Å; L89-I93 PolarHBondContact O-N 2.83Å; H90-I93 PolarHBondContact O-N 3.43Å; I93-C96 PolarHBondContact O-N 2.69Å; I93-L97 HydrophobicContact CG2-CD1 3.8Å; I93-L97 HydrophobicContact CG2-CG 4.28Å; I93-L97 WeakPolarHBondContact O-CB 3.39Å; I93-L97 VanDerWaalsContact O-CG 3.23Å; I93-L97 WeakPolarHBondContact O-CG 3.14Å; I93-L97 PolarHBondContact O-N 3.36Å |
| 94 | R | 66.5 | Low | 63.8 | Low | 141 Ų | 141 | 85.7 Ų | 85.7 | 53% | 0.532 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 175.9 | -79.4 | -176 | -173.5 | -168 | -2.3 | 111.5 | H90 S91 L92 C96 L97 H98 | H90-R94 PolarHBondContact CE1-NH2 2.99Å; H90-R94 PolarHBondContact NE2-NE 2.96Å; H90-R94 VanDerWaalsContact NE2-NE 3.17Å; H90-R94 WeakPolarHBondContact O-CB 3.33Å; H90-R94 WeakPolarHBondContact O-CG 3.24Å; H90-R94 PolarHBondContact O-N 3.02Å; S91-R94 PolarHBondContact O-N 2.85Å; L92-R94 VanDerWaalsContact C-N 3.33Å; L92-R94 PolarHBondContact O-N 3.29Å; R94-C96 VanDerWaalsContact C-N 3.31Å; R94-C96 PolarHBondContact O-N 2.93Å; R94-L97 CarbonylContact O-C 3.57Å; R94-L97 PolarHBondContact O-N 3.14Å; R94-L97 VanDerWaalsContact O-N 3.14Å; R94-H98 WeakPolarHBondContact O-CB 3.47Å; R94-H98 PolarHBondContact O-CD2 3.24Å; R94-H98 VanDerWaalsContact O-CD2 3.24Å; R94-H98 PolarHBondContact O-N 2.9Å |
| 95 | N | 66.1 | Low | 62.5 | Low | 117 Ų | 117 | 85.1 Ų | 85.1 | 63% | 0.626 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.3 | -41.4 | 179 | -73.5 | -6.3 | 0 | 0 | 0 | 111.5 | S91 L92 H98 G99 | S91-N95 WeakPolarHBondContact O-CB 3.38Å; S91-N95 VanDerWaalsContact O-CG 3.24Å; S91-N95 PolarHBondContact O-N 3.49Å; L92-N95 PolarHBondContact O-N 2.77Å; N95-H98 PolarHBondContact O-N 2.83Å; N95-G99 PolarHBondContact O-N 3.4Å |
| 96 | C | 61.1 | Low | 61.5 | Low | 31 Ų | 31 | 84.9 Ų | 84.9 | 21% | 0.209 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60.2 | -50 | 172.1 | -69.5 | 0 | 0 | 0 | 0 | 110.8 | L32 L92 I93 R94 H98 G99 L100 | L32-C96 HydrophobicContact CD1-CB 3.97Å; L92-C96 WeakPolarHBondContact O-CB 2.76Å; L92-C96 PolarHBondContact O-N 3.48Å; L92-C96 PolarHBondContact O-SG 2.85Å; I93-C96 PolarHBondContact O-N 2.69Å; R94-C96 VanDerWaalsContact C-N 3.31Å; R94-C96 PolarHBondContact O-N 2.93Å; C96-H98 VanDerWaalsContact C-N 3.34Å; C96-H98 PolarHBondContact O-N 3Å; C96-G99 PolarHBondContact O-N 2.94Å; C96-L100 WeakPolarHBondContact O-CB 3.37Å; C96-L100 VanDerWaalsContact O-CD1 3.23Å; C96-L100 WeakPolarHBondContact O-CD1 3.32Å; C96-L100 WeakPolarHBondContact O-CG 3.11Å; C96-L100 PolarHBondContact O-N 3.12Å |
| 97 | L | 62.3 | Low | 60.5 | Low | 43 Ų | 43 | 86.8 Ų | 86.8 | 23% | 0.225 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 179.6 | -73.1 | 173.4 | 0 | 0 | 0 | 113 | L32 I93 R94 L100 K101 W111 | L32-L97 HydrophobicContact CD2-CD2 4.4Å; I93-L97 HydrophobicContact CG2-CD1 3.8Å; I93-L97 HydrophobicContact CG2-CG 4.28Å; I93-L97 WeakPolarHBondContact O-CB 3.39Å; I93-L97 VanDerWaalsContact O-CG 3.23Å; I93-L97 WeakPolarHBondContact O-CG 3.14Å; I93-L97 PolarHBondContact O-N 3.36Å; R94-L97 CarbonylContact O-C 3.57Å; R94-L97 PolarHBondContact O-N 3.14Å; R94-L97 VanDerWaalsContact O-N 3.14Å; L97-L100 PolarHBondContact O-N 3.39Å; L97-K101 WeakPolarHBondContact O-CG 3.42Å; L97-K101 PolarHBondContact O-N 3.45Å; L97-W111 HydrophobicContact CD2-CZ3 4.19Å |
| 98 | H | 63.2 | Low | 59.4 | Low | 116 Ų | 116 | 84.3 Ų | 84.3 | 54% | 0.537 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.4 | -49.5 | 175 | -90.1 | -92.2 | 0 | 0 | 0 | 111 | R94 N95 C96 L100 K101 D102 | R94-H98 WeakPolarHBondContact O-CB 3.47Å; R94-H98 PolarHBondContact O-CD2 3.24Å; R94-H98 VanDerWaalsContact O-CD2 3.24Å; R94-H98 PolarHBondContact O-N 2.9Å; N95-H98 PolarHBondContact O-N 2.83Å; C96-H98 VanDerWaalsContact C-N 3.34Å; C96-H98 PolarHBondContact O-N 3Å; H98-L100 PolarHBondContact O-N 2.99Å; H98-L100 VanDerWaalsContact O-N 3.14Å; H98-K101 WeakPolarHBondContact O-CB 3.46Å; H98-K101 PolarHBondContact O-N 2.71Å; H98-D102 PolarHBondContact O-N 3.14Å |
| 99 | G | 59.1 | Low | 58.4 | Low | 38 Ų | 38 | 86.5 Ų | 86.5 | 39% | 0.392 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.4 | -22.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N95 C96 Y103 | N95-G99 PolarHBondContact O-N 3.4Å; C96-G99 PolarHBondContact O-N 2.94Å; G99-Y103 WeakPolarHBondContact O-CD2 3.23Å |
| 100 | L | 54.9 | Low | 57.5 | Low | 29 Ų | 29 | 87.7 Ų | 87.7 | 15% | 0.152 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -83.2 | -27 | 173.6 | -72.5 | 159.2 | 0 | 0 | 0 | 113.4 | L32 C96 L97 H98 D102 Y103 W111 | L32-L100 HydrophobicContact CD2-CD1 4.06Å; C96-L100 WeakPolarHBondContact O-CB 3.37Å; C96-L100 VanDerWaalsContact O-CD1 3.23Å; C96-L100 WeakPolarHBondContact O-CD1 3.32Å; C96-L100 WeakPolarHBondContact O-CG 3.11Å; C96-L100 PolarHBondContact O-N 3.12Å; L97-L100 PolarHBondContact O-N 3.39Å; H98-L100 PolarHBondContact O-N 2.99Å; H98-L100 VanDerWaalsContact O-N 3.14Å; L100-D102 VanDerWaalsContact C-N 3.28Å; L100-Y103 WeakPolarHBondContact O-CB 3.06Å; L100-Y103 PolarHBondContact O-N 3.16Å; L100-Y103 VanDerWaalsContact O-N 3.16Å; L100-W111 HydrophobicContact CB-CH2 4.42Å; L100-W111 HydrophobicContact CD1-CH2 3.12Å; L100-W111 HydrophobicContact CD1-CZ2 3.94Å; L100-W111 HydrophobicContact CD1-CZ3 3.58Å; L100-W111 HydrophobicContact CD2-CH2 3.79Å; L100-W111 HydrophobicContact CD2-CZ2 3.68Å; L100-W111 HydrophobicContact CG-CH2 3.95Å; L100-W111 HydrophobicContact CG-CZ2 4.31Å |
| 101 | K | 52.9 | Low | 56.5 | Low | 151 Ų | 151 | 86.3 Ų | 86.3 | 66% | 0.657 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.1 | -29 | 173.2 | -79.3 | -177.8 | 176.8 | -175.1 | 0 | 112.3 | L97 H98 Y103 | L97-K101 WeakPolarHBondContact O-CG 3.42Å; L97-K101 PolarHBondContact O-N 3.45Å; H98-K101 WeakPolarHBondContact O-CB 3.46Å; H98-K101 PolarHBondContact O-N 2.71Å; K101-Y103 VanDerWaalsContact C-N 3.25Å |
| 102 | D | 52.9 | Low | 55.2 | Low | 141 Ų | 141 | 90.5 Ų | 90.5 | 75% | 0.754 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -75.6 | -17.6 | 172.2 | -62.1 | -33.6 | 0 | 0 | 0 | 112.1 | H98 L100 D104 | H98-D102 PolarHBondContact O-N 3.14Å; L100-D102 VanDerWaalsContact C-N 3.28Å; D102-D104 PolarHBondContact O-N 3.34Å; D102-D104 VanDerWaalsContact O-N 3.14Å |
| 103 | Y | 49.8 | Very low | 54.7 | Low | 125 Ų | 125 | 92.7 Ų | 92.7 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -84.3 | 85.6 | 170.1 | -95.8 | -99.4 | 0 | 0 | 0 | 110 | G99 L100 K101 | G99-Y103 WeakPolarHBondContact O-CD2 3.23Å; L100-Y103 WeakPolarHBondContact O-CB 3.06Å; L100-Y103 PolarHBondContact O-N 3.16Å; L100-Y103 VanDerWaalsContact O-N 3.16Å; K101-Y103 VanDerWaalsContact C-N 3.25Å |
| 104 | D | 50.6 | Low | 53.9 | Low | 127 Ų | 127 | 95.1 Ų | 95.1 | 68% | 0.679 | 52% | 0.523 | S | S | * | . | trans | -8.6 | 137.9 | 166.2 | -158.8 | 8.4 | 0 | 0 | 0 | 117.8 | D102 A106 | D102-D104 PolarHBondContact O-N 3.34Å; D102-D104 VanDerWaalsContact O-N 3.14Å; D104-A106 PolarHBondContact O-N 3.27Å | ||
| 105 | M | 48.5 | Very low | 53 | Low | 165 Ų | 165 | 92.6 Ų | 92.6 | 81% | 0.813 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -47.8 | 2 | -169.6 | -82 | -95.4 | 155.4 | 0 | 0 | 118.3 | T107 | M105-T107 VanDerWaalsContact C-N 3.33Å; M105-T107 PolarHBondContact O-N 3.26Å |
| 106 | A | 49 | Very low | 52.4 | Low | 98 Ų | 98 | 90.2 Ų | 90.2 | 81% | 0.81 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -75.7 | -12.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D104 | D104-A106 PolarHBondContact O-N 3.27Š|
| 107 | T | 52 | Low | 52 | Low | 64 Ų | 64 | 94.3 Ų | 94.3 | 39% | 0.393 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -109.9 | 7.7 | -177.9 | -26.1 | 0 | 0 | 0 | 0 | 113.6 | F25 M105 S109 | F25-T107 HydrophobicContact CE2-CG2 3.83Å; F25-T107 HydrophobicContact CZ-CG2 3.68Å; M105-T107 VanDerWaalsContact C-N 3.33Å; M105-T107 PolarHBondContact O-N 3.26Å; T107-S109 PolarHBondContact O-N 2.88Å |
| 108 | A | 48.7 | Very low | 51.4 | Low | 52 Ų | 52 | 95.7 Ų | 95.7 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -13.5 | -164.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | G110 W111 | A108-G110 VanDerWaalsContact C-N 3.32Å; A108-G110 PolarHBondContact O-N 3.24Å; A108-W111 PolarHBondContact O-N 3.17Å |
| 109 | S | 52.2 | Low | 50.9 | Low | 126 Ų | 126 | 95.7 Ų | 95.7 | 88% | 0.881 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -23.7 | -178 | 55.3 | 0 | 0 | 0 | 0 | 114.4 | T107 | T107-S109 PolarHBondContact O-N 2.88Š|
| 110 | G | 49.4 | Very low | 50.6 | Low | 48 Ų | 48 | 103.7 Ų | 103.7 | 50% | 0.495 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.7 | -16.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | A108 | A108-G110 VanDerWaalsContact C-N 3.32Å; A108-G110 PolarHBondContact O-N 3.24Å |
| 111 | W | 47.4 | Very low | 50.3 | Low | 39 Ų | 39 | 110.8 Ų | 110.8 | 15% | 0.148 | 60% | 0.598 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | -25.2 | -166.9 | -76.9 | 88.8 | 0 | 0 | 0 | 114.6 | N29 L32 L97 L100 A108 N113 I114 Q115 | N29-W111 WeakPolarHBondContact OD1-CH2 3.25Å; N29-W111 WeakPolarHBondContact OD1-CZ2 2.99Å; L32-W111 HydrophobicContact CD2-CH2 3.76Å; L32-W111 HydrophobicContact CD2-CZ3 3.7Å; L97-W111 HydrophobicContact CD2-CZ3 4.19Å; L100-W111 HydrophobicContact CB-CH2 4.42Å; L100-W111 HydrophobicContact CD1-CH2 3.12Å; L100-W111 HydrophobicContact CD1-CZ2 3.94Å; L100-W111 HydrophobicContact CD1-CZ3 3.58Å; L100-W111 HydrophobicContact CD2-CH2 3.79Å; L100-W111 HydrophobicContact CD2-CZ2 3.68Å; L100-W111 HydrophobicContact CG-CH2 3.95Å; L100-W111 HydrophobicContact CG-CZ2 4.31Å; A108-W111 PolarHBondContact O-N 3.17Å; W111-N113 PolarHBondContact O-N 3.22Å; W111-N113 VanDerWaalsContact O-N 3.16Å; W111-I114 PolarHBondContact O-N 3.34Å; W111-Q115 PolarHBondContact O-N 3.45Å |
| 112 | M | 43.5 | Very low | 49.8 | Very low | 154 Ų | 154 | 114.8 Ų | 114.8 | 76% | 0.759 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -53.7 | -37.1 | 175.5 | -111.2 | 179.3 | 172.3 | 0 | 0 | 111.3 | I114 T116 | M112-I114 PolarHBondContact O-N 3.34Å; M112-T116 WeakPolarHBondContact O-CB 3.48Å; M112-T116 PolarHBondContact O-N 3.15Å; M112-T116 VanDerWaalsContact O-N 3.16Å; M112-T116 PolarHBondContact O-OG1 2.91Å |
| 113 | N | 53.1 | Low | 49.6 | Very low | 122 Ų | 122 | 113.5 Ų | 113.5 | 65% | 0.652 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -72.9 | -30.4 | -175.2 | -124.1 | -10.5 | 0 | 0 | 0 | 114.1 | W111 L117 | W111-N113 PolarHBondContact O-N 3.22Å; W111-N113 VanDerWaalsContact O-N 3.16Å; N113-L117 PolarHBondContact O-N 3.24Å |
| 114 | I | 48.3 | Very low | 49.6 | Very low | 70 Ų | 70 | 112.9 Ų | 112.9 | 36% | 0.359 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -81.1 | -40.6 | -178.4 | -62.1 | 178.5 | 0 | 0 | 0 | 110.9 | W111 M112 T116 L117 A118 | W111-I114 PolarHBondContact O-N 3.34Å; M112-I114 PolarHBondContact O-N 3.34Å; I114-T116 VanDerWaalsContact C-N 3.32Å; I114-T116 PolarHBondContact O-N 2.92Å; I114-L117 WeakPolarHBondContact O-CB 3.47Å; I114-L117 PolarHBondContact O-N 2.85Å; I114-L117 VanDerWaalsContact O-N 3.16Å; I114-A118 PolarHBondContact O-N 3.39Å; I114-A118 VanDerWaalsContact O-N 3.11Å |
| 115 | Q | 49.2 | Very low | 49.6 | Very low | 89 Ų | 89 | 112.1 Ų | 112.1 | 42% | 0.416 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.1 | -38.9 | 174.3 | -71.6 | -174.1 | -11.3 | 0 | 0 | 111.4 | W111 L117 A118 L119 | W111-Q115 PolarHBondContact O-N 3.45Å; Q115-L117 VanDerWaalsContact C-N 3.29Å; Q115-L117 PolarHBondContact O-N 2.8Å; Q115-A118 PolarHBondContact O-N 3.28Å; Q115-L119 WeakPolarHBondContact O-CB 3.35Å; Q115-L119 PolarHBondContact O-N 2.93Å |
| 116 | T | 52.8 | Low | 49.6 | Very low | 66 Ų | 66 | 109 Ų | 109 | 41% | 0.405 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.4 | -30.7 | 173.6 | -54.2 | 0 | 0 | 0 | 0 | 112.8 | M112 I114 | M112-T116 WeakPolarHBondContact O-CB 3.48Å; M112-T116 PolarHBondContact O-N 3.15Å; M112-T116 VanDerWaalsContact O-N 3.16Å; M112-T116 PolarHBondContact O-OG1 2.91Å; I114-T116 VanDerWaalsContact C-N 3.32Å; I114-T116 PolarHBondContact O-N 2.92Å |
| 117 | L | 52 | Low | 49.7 | Very low | 118 Ų | 118 | 109.7 Ų | 109.7 | 62% | 0.618 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.8 | -34.2 | 174.6 | -122.4 | 93.5 | 0 | 0 | 0 | 112.7 | N113 I114 Q115 | N113-L117 PolarHBondContact O-N 3.24Å; I114-L117 WeakPolarHBondContact O-CB 3.47Å; I114-L117 PolarHBondContact O-N 2.85Å; I114-L117 VanDerWaalsContact O-N 3.16Å; Q115-L117 VanDerWaalsContact C-N 3.29Å; Q115-L117 PolarHBondContact O-N 2.8Å |
| 118 | A | 49.9 | Very low | 49.5 | Very low | 71 Ų | 71 | 112.7 Ų | 112.7 | 59% | 0.587 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -80.7 | -32.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I114 Q115 | I114-A118 PolarHBondContact O-N 3.39Å; I114-A118 VanDerWaalsContact O-N 3.11Å; Q115-A118 PolarHBondContact O-N 3.28Å |
| 119 | L | 53.2 | Low | 49.6 | Very low | 117 Ų | 117 | 117.1 Ų | 117.1 | 61% | 0.613 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -85 | -11 | -178 | -82.9 | 155.7 | 0 | 0 | 0 | 114.8 | Q115 H121 | Q115-L119 WeakPolarHBondContact O-CB 3.35Å; Q115-L119 PolarHBondContact O-N 2.93Å; L119-H121 PolarHBondContact O-N 2.79Å; L119-H121 VanDerWaalsContact O-N 3.13Å |
| 120 | R | 52.1 | Low | 49.4 | Very low | 206 Ų | 206 | 116.4 Ų | 116.4 | 78% | 0.777 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 11 | 177.3 | -91.7 | -173.4 | -175.3 | -163.3 | 2.9 | 114.9 | ||
| 121 | H | 48 | Very low | 49.4 | Very low | 177 Ų | 177 | 122.1 Ų | 122.1 | 82% | 0.819 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.9 | 12.1 | -173.2 | -102 | -68.6 | 0 | 0 | 0 | 115.7 | L119 | L119-H121 PolarHBondContact O-N 2.79Å; L119-H121 VanDerWaalsContact O-N 3.13Å |
| 122 | E | 42.8 | Very low | 49.5 | Very low | 236 Ų | 236 | 129.6 Ų | 129.6 | 100% | 1.103 | 65% | 0.646 | S | S | * | * | trans | -88.4 | 0 | 156.3 | -72.7 | -175.2 | 157.9 | 0 | 0 | 110 |
Retrieved 122 of 122 residues in 94.1 ms
(Link to these results)