| 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 | 32.2 | Very low | 29.7 | Very low | 239 Ų | 239 | 166.8 Ų | 166.8 | 100% | 1.177 | 77% | 0.768 | S | S | * | * | 0 | 126.6 | 0 | -51.3 | 178.7 | -164.4 | 0 | 0 | 104.4 | |||||
| 2 | I | 28 | Very low | 29.6 | Very low | 148 Ų | 148 | 162.8 Ų | 162.8 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | cis | -118.7 | 166.9 | 43.8 | -65.5 | 155.4 | 0 | 0 | 0 | 111 | ||||
| 3 | F | 30.9 | Very low | 29.6 | Very low | 147 Ų | 147 | 153.4 Ų | 153.4 | 65% | 0.645 | 71% | 0.708 | S | S | * | * | trans | 53.1 | 111.2 | -176.9 | -62.3 | -68 | 0 | 0 | 0 | 116.6 | Q5 Y6 | F3-Q5 HydrophobicContact CD1-CB 3.57Å; F3-Q5 HydrophobicContact CE1-CB 3.99Å; F3-Y6 HydrophobicContact CE1-CD2 4.22Å | ||
| 4 | K | 30 | Very low | 29.6 | Very low | 220 Ų | 220 | 152 Ų | 152 | 96% | 0.957 | 71% | 0.709 | S | S | * | * | S | Bend | cis | 50.3 | 31.5 | -17.5 | -90.4 | -168.3 | 178 | -178.2 | 0 | 120.6 | ||
| 5 | Q | 30.9 | Very low | 29.8 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | trans | -165.6 | 170.3 | 155.6 | -110.2 | 162.3 | -10.6 | 0 | 0 | 106.6 | F3 | F3-Q5 HydrophobicContact CD1-CB 3.57Å; F3-Q5 HydrophobicContact CE1-CB 3.99Å | ||
| 6 | Y | 29.3 | Very low | 30 | Very low | 213 Ų | 213 | 144.8 Ų | 144.8 | 84% | 0.835 | 69% | 0.692 | S | S | * | * | trans | 56.4 | 80.8 | -173.7 | -76.6 | -80.2 | 0 | 0 | 0 | 115.8 | F3 | F3-Y6 HydrophobicContact CE1-CD2 4.22Š| ||
| 7 | N | 29 | Very low | 30.4 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 84% | 0.84 | 68% | 0.683 | S | S | * | * | trans | -142.5 | 95.7 | 146.6 | -165.5 | 0.5 | 0 | 0 | 0 | 107.9 | ||||
| 8 | R | 30.1 | Very low | 30.7 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 55% | 0.547 | 69% | 0.686 | S | S | . | * | trans | 171.1 | 139.9 | 171.4 | -106.1 | 170.7 | 178.5 | -167.3 | -5.4 | 110.2 | A592 S593 | R8-A592 PolarHBondContact NH1-O 2.85Å; R8-A592 VanDerWaalsContact NH1-O 3.13Å; R8-A592 PolarHBondContact NH2-O 3.32Å; R8-S593 PolarHBondContact NH1-OG 3.23Å; R8-S593 VanDerWaalsContact NH1-OG 3.16Å | ||
| 9 | R | 29.5 | Very low | 31.2 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 58% | 0.581 | 68% | 0.684 | S | S | * | * | trans | 71.6 | 100.1 | -168.4 | -56.5 | 173.6 | -159.8 | -131 | -19.5 | 109.8 | P589 | R9-P589 VanDerWaalsContact CZ-O 3.26Å; R9-P589 PolarHBondContact NH1-O 2.74Å; R9-P589 PolarHBondContact NH2-O 2.98Å | ||
| 10 | D | 28.6 | Very low | 31.8 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 66% | 0.663 | 67% | 0.665 | S | S | * | * | cis | 58.2 | 88.2 | 25.3 | -28.6 | -65.1 | 0 | 0 | 0 | 111.4 | ||||
| 11 | D | 27.9 | Very low | 32.7 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | -151.6 | 172.7 | 101 | -109.5 | -38.9 | 0 | 0 | 0 | 109.9 | P1001 | D11-P1001 VanDerWaalsContact O-CD 3.24Å; D11-P1001 WeakPolarHBondContact O-CD 3.29Å | |||
| 12 | Q | 28.5 | Very low | 33.4 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 56% | 0.556 | 62% | 0.621 | S | S | * | * | trans | 84.3 | -170.2 | 171.6 | -55 | -178.6 | -106 | 0 | 0 | 117.7 | E1000 P1001 | Q12-E1000 HydrophobicContact CB-CB 4.22Å; Q12-E1000 HydrophobicContact CB-CG 3.73Å; Q12-E1000 HydrophobicContact CG-CG 4.48Å; Q12-E1000 PolarHBondContact NE2-OE2 2.88Å; Q12-P1001 CarbonylContact O-C 3.54Å | ||
| 13 | L | 29.5 | Very low | 34.5 | Very low | 40 Ų | 40 | 127 Ų | 127 | 21% | 0.209 | 61% | 0.608 | C | S | . | * | trans | 89 | 115.2 | -157.8 | -166.4 | 131.9 | 0 | 0 | 0 | 115.6 | V16 E1000 G1002 | L13-V16 HydrophobicContact CD1-CG2 4.11Å; L13-E1000 WeakPolarHBondContact CA-OE1 3.46Å; L13-E1000 PolarHBondContact N-OE1 2.92Å; L13-G1002 VanDerWaalsContact CD1-N 3.3Å | ||
| 14 | N | 29.9 | Very low | 35.3 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 72% | 0.717 | 60% | 0.604 | S | S | * | * | S | Bend | -138.2 | 51.9 | 112.2 | -81.7 | -62.5 | 0 | 0 | 0 | 115.5 | E1000 | N14-E1000 PolarHBondContact N-OE1 3.3Š| |
| 15 | T | 32.4 | Very low | 36.3 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 64% | 0.644 | 58% | 0.583 | S | S | * | * | trans | -149.2 | 92.9 | 170.9 | 56.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 16 | V | 33.3 | Very low | 37.3 | Very low | 83 Ų | 83 | 113.1 Ų | 113.1 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | trans | -142.5 | 124.8 | 156.4 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | L13 | L13-V16 HydrophobicContact CD1-CG2 4.11Š| ||
| 17 | P | 37.1 | Very low | 38.3 | Very low | 82 Ų | 82 | 106.9 Ų | 106.9 | 53% | 0.532 | 54% | 0.537 | S | S | . | . | trans | -76.4 | 153.4 | -174.7 | 30.4 | -36 | 0 | 0 | 0 | 113.5 | R19 S20 | P17-R19 PolarHBondContact O-N 3.44Å; P17-S20 WeakPolarHBondContact O-CB 3.39Å; P17-S20 PolarHBondContact O-N 2.8Å | ||
| 18 | F | 35.1 | Very low | 39.2 | Very low | 170 Ų | 170 | 105.4 Ų | 105.4 | 75% | 0.746 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -47.3 | -37.5 | 174.9 | -113.1 | -98.6 | 0 | 0 | 0 | 113.6 | S20 I21 L22 | F18-S20 VanDerWaalsContact C-N 3.27Å; F18-S20 PolarHBondContact O-N 3.49Å; F18-I21 PolarHBondContact O-N 3.36Å; F18-I21 VanDerWaalsContact O-N 3.11Å; F18-L22 HydrophobicContact CD1-CD1 4.1Å; F18-L22 WeakPolarHBondContact O-CD1 3.34Å; F18-L22 PolarHBondContact O-N 3.47Å |
| 19 | R | 40.6 | Very low | 40.3 | Very low | 170 Ų | 170 | 102.5 Ų | 102.5 | 64% | 0.642 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -54.5 | -38.2 | 174.5 | -83.2 | -179 | 164.7 | 152.8 | -0.5 | 112.9 | P17 L22 I23 | P17-R19 PolarHBondContact O-N 3.44Å; R19-L22 PolarHBondContact O-N 3.19Å; R19-I23 WeakPolarHBondContact O-CB 3.17Å; R19-I23 WeakPolarHBondContact O-CD1 3.31Å; R19-I23 WeakPolarHBondContact O-CG1 3.42Å; R19-I23 PolarHBondContact O-N 2.62Å |
| 20 | S | 42.8 | Very low | 41.2 | Very low | 44 Ų | 44 | 99.5 Ų | 99.5 | 31% | 0.308 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.3 | -33.7 | 178.4 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | P17 F18 I23 L24 | P17-S20 WeakPolarHBondContact O-CB 3.39Å; P17-S20 PolarHBondContact O-N 2.8Å; F18-S20 VanDerWaalsContact C-N 3.27Å; F18-S20 PolarHBondContact O-N 3.49Å; S20-I23 PolarHBondContact O-N 2.75Å; S20-L24 WeakPolarHBondContact O-CG 3.31Å; S20-L24 PolarHBondContact O-N 3.35Å |
| 21 | I | 50.5 | Low | 41.9 | Very low | 91 Ų | 91 | 99.8 Ų | 99.8 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.6 | -43.6 | 173.6 | -63.3 | 175.5 | 0 | 0 | 0 | 109.9 | F18 I23 L24 L25 | F18-I21 PolarHBondContact O-N 3.36Å; F18-I21 VanDerWaalsContact O-N 3.11Å; I21-I23 VanDerWaalsContact C-N 3.29Å; I21-I23 PolarHBondContact O-N 3.31Å; I21-L24 PolarHBondContact O-N 3.05Å; I21-L25 HydrophobicContact CG2-CD1 3.71Å; I21-L25 WeakPolarHBondContact O-CD1 3.34Å; I21-L25 PolarHBondContact O-N 2.98Å |
| 22 | L | 47.2 | Very low | 42.5 | Very low | 85 Ų | 85 | 96.6 Ų | 96.6 | 45% | 0.445 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -35.3 | 170.9 | -93.3 | 88.6 | 0 | 0 | 0 | 112.5 | F18 R19 S26 | F18-L22 HydrophobicContact CD1-CD1 4.1Å; F18-L22 WeakPolarHBondContact O-CD1 3.34Å; F18-L22 PolarHBondContact O-N 3.47Å; R19-L22 PolarHBondContact O-N 3.19Å; L22-S26 WeakPolarHBondContact O-CA 3.26Å; L22-S26 WeakPolarHBondContact O-CB 3.31Å; L22-S26 PolarHBondContact O-N 2.72Å; L22-S26 PolarHBondContact O-OG 3.11Å |
| 23 | I | 51.7 | Low | 42.9 | Very low | 97 Ų | 97 | 99 Ų | 99 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.5 | -37.8 | 175.1 | -73.6 | 162.6 | 0 | 0 | 0 | 111.1 | R19 S20 I21 S26 L27 | R19-I23 WeakPolarHBondContact O-CB 3.17Å; R19-I23 WeakPolarHBondContact O-CD1 3.31Å; R19-I23 WeakPolarHBondContact O-CG1 3.42Å; R19-I23 PolarHBondContact O-N 2.62Å; S20-I23 PolarHBondContact O-N 2.75Å; I21-I23 VanDerWaalsContact C-N 3.29Å; I21-I23 PolarHBondContact O-N 3.31Å; I23-S26 WeakPolarHBondContact O-CB 3.45Å; I23-S26 PolarHBondContact O-N 2.89Å; I23-L27 HydrophobicContact CG2-CD1 3.87Å; I23-L27 HydrophobicContact CG2-CG 4.46Å; I23-L27 WeakPolarHBondContact O-CB 3.47Å; I23-L27 VanDerWaalsContact O-CG 3.25Å; I23-L27 WeakPolarHBondContact O-CG 3.37Å; I23-L27 PolarHBondContact O-N 2.81Å |
| 24 | L | 47.2 | Very low | 43.2 | Very low | 108 Ų | 108 | 106.2 Ų | 106.2 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71 | -44.1 | 175.1 | -78.8 | 166 | 0 | 0 | 0 | 112.6 | S20 I21 S26 L27 L28 | S20-L24 WeakPolarHBondContact O-CG 3.31Å; S20-L24 PolarHBondContact O-N 3.35Å; I21-L24 PolarHBondContact O-N 3.05Å; L24-S26 VanDerWaalsContact C-N 3.26Å; L24-S26 PolarHBondContact O-N 3.15Å; L24-L27 PolarHBondContact O-N 2.84Å; L24-L28 WeakPolarHBondContact O-CB 3Å; L24-L28 WeakPolarHBondContact O-CG 2.91Å; L24-L28 PolarHBondContact O-N 3.03Å |
| 25 | L | 51.7 | Low | 43.3 | Very low | 98 Ų | 98 | 109.5 Ų | 109.5 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.9 | -39.4 | 168.7 | -90.5 | 96.8 | 0 | 0 | 0 | 111.1 | I21 L28 I29 | I21-L25 HydrophobicContact CG2-CD1 3.71Å; I21-L25 WeakPolarHBondContact O-CD1 3.34Å; I21-L25 PolarHBondContact O-N 2.98Å; L25-L28 PolarHBondContact O-N 3.2Å; L25-I29 WeakPolarHBondContact O-CB 3.47Å; L25-I29 WeakPolarHBondContact O-CD1 3.34Å; L25-I29 WeakPolarHBondContact O-CG1 3.21Å; L25-I29 PolarHBondContact O-N 3.36Å |
| 26 | S | 52.5 | Low | 43.3 | Very low | 19 Ų | 19 | 110.9 Ų | 110.9 | 13% | 0.133 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -60.6 | -45.7 | 174.5 | -68 | 0 | 0 | 0 | 0 | 111.9 | L22 I23 L24 L28 I29 I30 K55 | L22-S26 WeakPolarHBondContact O-CA 3.26Å; L22-S26 WeakPolarHBondContact O-CB 3.31Å; L22-S26 PolarHBondContact O-N 2.72Å; L22-S26 PolarHBondContact O-OG 3.11Å; I23-S26 WeakPolarHBondContact O-CB 3.45Å; I23-S26 PolarHBondContact O-N 2.89Å; L24-S26 VanDerWaalsContact C-N 3.26Å; L24-S26 PolarHBondContact O-N 3.15Å; S26-L28 VanDerWaalsContact C-N 3.33Å; S26-I29 PolarHBondContact O-N 3.24Å; S26-I30 WeakPolarHBondContact O-CB 3.39Å; S26-I30 WeakPolarHBondContact O-CD1 3.31Å; S26-I30 WeakPolarHBondContact O-CG1 3.34Å; S26-I30 PolarHBondContact O-N 2.76Å; S26-K55 VanDerWaalsContact CB-NZ 3.31Å; S26-K55 WeakPolarHBondContact OG-CE 3.49Å; S26-K55 PolarHBondContact OG-NZ 3.19Å |
| 27 | L | 48.4 | Very low | 43.3 | Very low | 82 Ų | 82 | 110.9 Ų | 110.9 | 43% | 0.429 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.9 | -30.4 | 179.1 | -73.1 | 166 | 0 | 0 | 0 | 111.9 | I23 L24 N31 | I23-L27 HydrophobicContact CG2-CD1 3.87Å; I23-L27 HydrophobicContact CG2-CG 4.46Å; I23-L27 WeakPolarHBondContact O-CB 3.47Å; I23-L27 VanDerWaalsContact O-CG 3.25Å; I23-L27 WeakPolarHBondContact O-CG 3.37Å; I23-L27 PolarHBondContact O-N 2.81Å; L24-L27 PolarHBondContact O-N 2.84Å; L27-N31 VanDerWaalsContact O-CB 3.29Å; L27-N31 WeakPolarHBondContact O-CB 3.14Å; L27-N31 PolarHBondContact O-N 2.61Å; L27-N31 PolarHBondContact O-ND2 2.81Å |
| 28 | L | 49.4 | Very low | 43.2 | Very low | 126 Ų | 126 | 115.2 Ų | 115.2 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.4 | -44.3 | 171.4 | -73.3 | 163.4 | 0 | 0 | 0 | 111.7 | L24 L25 S26 I30 N31 S32 | L24-L28 WeakPolarHBondContact O-CB 3Å; L24-L28 WeakPolarHBondContact O-CG 2.91Å; L24-L28 PolarHBondContact O-N 3.03Å; L25-L28 PolarHBondContact O-N 3.2Å; S26-L28 VanDerWaalsContact C-N 3.33Å; L28-I30 VanDerWaalsContact C-N 3.32Å; L28-I30 PolarHBondContact O-N 2.79Å; L28-N31 PolarHBondContact O-N 3.13Å; L28-S32 WeakPolarHBondContact O-CB 3.25Å; L28-S32 PolarHBondContact O-N 2.61Å; L28-S32 VanDerWaalsContact O-N 3.16Å; L28-S32 PolarHBondContact O-OG 3.34Å |
| 29 | I | 51.8 | Low | 43.3 | Very low | 83 Ų | 83 | 114.5 Ų | 114.5 | 43% | 0.426 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.7 | -31.3 | 175.8 | -67.4 | 164 | 0 | 0 | 0 | 111.7 | L25 S26 S32 | L25-I29 WeakPolarHBondContact O-CB 3.47Å; L25-I29 WeakPolarHBondContact O-CD1 3.34Å; L25-I29 WeakPolarHBondContact O-CG1 3.21Å; L25-I29 PolarHBondContact O-N 3.36Å; S26-I29 PolarHBondContact O-N 3.24Å; I29-S32 PolarHBondContact O-OG 3.24Å |
| 30 | I | 48.8 | Very low | 43.1 | Very low | 91 Ų | 91 | 109.9 Ų | 109.9 | 47% | 0.467 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -79.1 | -33.7 | 177.7 | -72.2 | 164.7 | 0 | 0 | 0 | 111.7 | S26 L28 Q33 | S26-I30 WeakPolarHBondContact O-CB 3.39Å; S26-I30 WeakPolarHBondContact O-CD1 3.31Å; S26-I30 WeakPolarHBondContact O-CG1 3.34Å; S26-I30 PolarHBondContact O-N 2.76Å; L28-I30 VanDerWaalsContact C-N 3.32Å; L28-I30 PolarHBondContact O-N 2.79Å; I30-Q33 VanDerWaalsContact O-CG 3.27Å; I30-Q33 WeakPolarHBondContact O-CG 3.4Å |
| 31 | N | 43.5 | Very low | 43 | Very low | 130 Ų | 130 | 111.9 Ų | 111.9 | 70% | 0.695 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -87 | -3.4 | 177.7 | -72.5 | -65.4 | 0 | 0 | 0 | 114.2 | L27 L28 Q33 | L27-N31 VanDerWaalsContact O-CB 3.29Å; L27-N31 WeakPolarHBondContact O-CB 3.14Å; L27-N31 PolarHBondContact O-N 2.61Å; L27-N31 PolarHBondContact O-ND2 2.81Å; L28-N31 PolarHBondContact O-N 3.13Å; N31-Q33 VanDerWaalsContact C-N 3.28Å; N31-Q33 PolarHBondContact O-N 3.09Å |
| 32 | S | 40.3 | Very low | 42.4 | Very low | 71 Ų | 71 | 115.6 Ų | 115.6 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | trans | -88.3 | 31.5 | 177.3 | 68.4 | 0 | 0 | 0 | 0 | 114.5 | L28 I29 Q34 | L28-S32 WeakPolarHBondContact O-CB 3.25Å; L28-S32 PolarHBondContact O-N 2.61Å; L28-S32 VanDerWaalsContact O-N 3.16Å; L28-S32 PolarHBondContact O-OG 3.34Å; I29-S32 PolarHBondContact O-OG 3.24Å; S32-Q34 PolarHBondContact O-N 3.03Å | ||
| 33 | Q | 38 | Very low | 42 | Very low | 169 Ų | 169 | 118.6 Ų | 118.6 | 79% | 0.79 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 22 | -174.2 | -75.4 | -85.3 | -16.3 | 0 | 0 | 115.7 | I30 N31 | I30-Q33 VanDerWaalsContact O-CG 3.27Å; I30-Q33 WeakPolarHBondContact O-CG 3.4Å; N31-Q33 VanDerWaalsContact C-N 3.28Å; N31-Q33 PolarHBondContact O-N 3.09Å |
| 34 | Q | 34.5 | Very low | 41.4 | Very low | 193 Ų | 193 | 115 Ų | 115 | 90% | 0.902 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | 5.1 | -179.1 | -82.6 | -173.4 | -29.6 | 0 | 0 | 115.3 | S32 | S32-Q34 PolarHBondContact O-N 3.03Š|
| 35 | F | 33.7 | Very low | 41.4 | Very low | 203 Ų | 203 | 113.8 Ų | 113.8 | 89% | 0.89 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -87.5 | 131.1 | 168.8 | -104.1 | -89.6 | 0 | 0 | 0 | 112.3 | A37 | F35-A37 PolarHBondContact O-N 3.27Š|
| 36 | N | 31.6 | Very low | 41.1 | Very low | 134 Ų | 134 | 115.2 Ų | 115.2 | 72% | 0.717 | 60% | 0.598 | S | S | * | * | trans | -69.5 | 122.4 | -166.2 | -166.6 | -4.8 | 0 | 0 | 0 | 112.6 | Q38 | N36-Q38 PolarHBondContact O-N 2.69Š| ||
| 37 | A | 32.4 | Very low | 40.7 | Very low | 82 Ų | 82 | 119.1 Ų | 119.1 | 68% | 0.678 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 36.4 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F35 | F35-A37 PolarHBondContact O-N 3.27Š|
| 38 | Q | 36.5 | Very low | 40.6 | Very low | 173 Ų | 173 | 118.7 Ų | 118.7 | 81% | 0.808 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 1.3 | -179.5 | -70.8 | -168.1 | -28 | 0 | 0 | 114.8 | N36 | N36-Q38 PolarHBondContact O-N 2.69Š|
| 39 | N | 35.9 | Very low | 40.6 | Very low | 156 Ų | 156 | 117.3 Ų | 117.3 | 83% | 0.834 | 60% | 0.604 | S | S | * | * | trans | -131.7 | 26.6 | -177.2 | -124.2 | -3.2 | 0 | 0 | 0 | 113.8 | T41 | N39-T41 PolarHBondContact O-N 2.82Š| ||
| 40 | I | 36.3 | Very low | 40.4 | Very low | 73 Ų | 73 | 116.8 Ų | 116.8 | 37% | 0.374 | 60% | 0.604 | S | S | . | * | trans | -81 | 109.3 | 169.8 | -54.6 | 177.3 | 0 | 0 | 0 | 107.4 | G44 N45 I48 | I40-G44 VanDerWaalsContact CG2-C 3.44Å; I40-N45 HydrophobicContact CG2-CB 4.16Å; I40-N45 WeakPolarHBondContact CG2-ND2 3.42Å; I40-N45 PolarHBondContact O-ND2 3.11Å; I40-N45 VanDerWaalsContact O-ND2 3.13Å; I40-I48 HydrophobicContact CD1-CD1 4.14Å; I40-I48 HydrophobicContact CG2-CD1 4.17Å | ||
| 41 | T | 41.4 | Very low | 40.1 | Very low | 85 Ų | 85 | 116 Ų | 116 | 52% | 0.521 | 60% | 0.6 | S | S | . | * | trans | -60.1 | 166.9 | 176.5 | 55.3 | 0 | 0 | 0 | 0 | 111.7 | N39 E43 G44 N45 | N39-T41 PolarHBondContact O-N 2.82Å; T41-E43 PolarHBondContact O-N 3.31Å; T41-G44 CarbonylContact O-C 3.5Å; T41-G44 WeakPolarHBondContact O-CA 3.39Å; T41-G44 PolarHBondContact O-N 2.89Å; T41-G44 PolarHBondContact OG1-N 2.96Å; T41-G44 VanDerWaalsContact OG1-N 3.15Å; T41-N45 PolarHBondContact O-N 3.31Å | ||
| 42 | E | 38.3 | Very low | 40.3 | Very low | 169 Ų | 169 | 113.8 Ų | 113.8 | 79% | 0.79 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -58.2 | -37.7 | 173.6 | -73.6 | -171.6 | 112.1 | 0 | 0 | 112 | N45 Q46 | E42-N45 PolarHBondContact O-N 3.11Å; E42-Q46 VanDerWaalsContact O-CB 3.31Å; E42-Q46 WeakPolarHBondContact O-CB 3.37Å; E42-Q46 WeakPolarHBondContact O-CG 3.4Å; E42-Q46 PolarHBondContact O-N 2.81Å |
| 43 | E | 39.3 | Very low | 40.5 | Very low | 148 Ų | 148 | 113.5 Ų | 113.5 | 69% | 0.692 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.9 | -39.9 | 170.7 | -65.2 | 177.3 | 126.3 | 0 | 0 | 112.7 | T41 Q46 N47 | T41-E43 PolarHBondContact O-N 3.31Å; E43-Q46 PolarHBondContact O-N 2.89Å; E43-N47 VanDerWaalsContact O-CB 3.3Å; E43-N47 WeakPolarHBondContact O-CB 3.31Å; E43-N47 VanDerWaalsContact O-CG 3.3Å; E43-N47 PolarHBondContact O-N 2.94Å; E43-N47 PolarHBondContact O-ND2 3.03Å |
| 44 | G | 38 | Very low | 40.4 | Very low | 21 Ų | 21 | 113.6 Ų | 113.6 | 22% | 0.216 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -65 | -41.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I40 T41 I48 | I40-G44 VanDerWaalsContact CG2-C 3.44Å; T41-G44 CarbonylContact O-C 3.5Å; T41-G44 WeakPolarHBondContact O-CA 3.39Å; T41-G44 PolarHBondContact O-N 2.89Å; T41-G44 PolarHBondContact OG1-N 2.96Å; T41-G44 VanDerWaalsContact OG1-N 3.15Å; G44-I48 WeakPolarHBondContact O-CB 3.32Å; G44-I48 VanDerWaalsContact O-CG1 3.25Å; G44-I48 WeakPolarHBondContact O-CG1 3.03Å; G44-I48 PolarHBondContact O-N 3.41Å |
| 45 | N | 47.9 | Very low | 40.6 | Very low | 84 Ų | 84 | 107.3 Ų | 107.3 | 45% | 0.449 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -73.5 | -31.7 | 177.2 | -90.4 | -53.4 | 0 | 0 | 0 | 112.2 | I40 T41 E42 K49 | I40-N45 HydrophobicContact CG2-CB 4.16Å; I40-N45 WeakPolarHBondContact CG2-ND2 3.42Å; I40-N45 PolarHBondContact O-ND2 3.11Å; I40-N45 VanDerWaalsContact O-ND2 3.13Å; T41-N45 PolarHBondContact O-N 3.31Å; E42-N45 PolarHBondContact O-N 3.11Å; N45-K49 VanDerWaalsContact O-CB 3.32Å; N45-K49 WeakPolarHBondContact O-CB 3.45Å; N45-K49 PolarHBondContact O-N 3.34Å |
| 46 | Q | 44.8 | Very low | 41 | Very low | 128 Ų | 128 | 103.2 Ų | 103.2 | 60% | 0.598 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.1 | -48 | 169.9 | -77.8 | -163.3 | 16.7 | 0 | 0 | 110.7 | E42 E43 I48 K49 T50 | E42-Q46 VanDerWaalsContact O-CB 3.31Å; E42-Q46 WeakPolarHBondContact O-CB 3.37Å; E42-Q46 WeakPolarHBondContact O-CG 3.4Å; E42-Q46 PolarHBondContact O-N 2.81Å; E43-Q46 PolarHBondContact O-N 2.89Å; Q46-I48 VanDerWaalsContact C-N 3.31Å; Q46-I48 PolarHBondContact O-N 2.83Å; Q46-K49 CarbonylContact O-C 3.56Å; Q46-K49 WeakPolarHBondContact O-CA 3.33Å; Q46-K49 WeakPolarHBondContact O-CB 3.4Å; Q46-K49 PolarHBondContact O-N 3.5Å; Q46-T50 WeakPolarHBondContact O-CB 3.13Å; Q46-T50 PolarHBondContact O-N 2.61Å; Q46-T50 PolarHBondContact O-OG1 2.63Å |
| 47 | N | 43.7 | Very low | 41.5 | Very low | 101 Ų | 101 | 99 Ų | 99 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 175.4 | -76.3 | -42.3 | 0 | 0 | 0 | 112.1 | E43 T50 I51 | E43-N47 VanDerWaalsContact O-CB 3.3Å; E43-N47 WeakPolarHBondContact O-CB 3.31Å; E43-N47 VanDerWaalsContact O-CG 3.3Å; E43-N47 PolarHBondContact O-N 2.94Å; E43-N47 PolarHBondContact O-ND2 3.03Å; N47-T50 PolarHBondContact O-N 3.09Å; N47-I51 WeakPolarHBondContact O-CB 3.5Å; N47-I51 WeakPolarHBondContact O-CD1 3.45Å; N47-I51 WeakPolarHBondContact O-CG1 3.43Å; N47-I51 PolarHBondContact O-N 2.84Å |
| 48 | I | 46.7 | Very low | 42 | Very low | 73 Ų | 73 | 98.4 Ų | 98.4 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 172.9 | -70.6 | 167.3 | 0 | 0 | 0 | 111.4 | I40 G44 Q46 I51 I52 | I40-I48 HydrophobicContact CD1-CD1 4.14Å; I40-I48 HydrophobicContact CG2-CD1 4.17Å; G44-I48 WeakPolarHBondContact O-CB 3.32Å; G44-I48 VanDerWaalsContact O-CG1 3.25Å; G44-I48 WeakPolarHBondContact O-CG1 3.03Å; G44-I48 PolarHBondContact O-N 3.41Å; Q46-I48 VanDerWaalsContact C-N 3.31Å; Q46-I48 PolarHBondContact O-N 2.83Å; I48-I51 PolarHBondContact O-N 3.34Å; I48-I52 HydrophobicContact CG2-CD1 3.66Å; I48-I52 HydrophobicContact CG2-CG1 4.38Å; I48-I52 VanDerWaalsContact O-CB 3.31Å; I48-I52 WeakPolarHBondContact O-CB 3.46Å; I48-I52 WeakPolarHBondContact O-CG1 3.28Å; I48-I52 PolarHBondContact O-N 2.79Å |
| 49 | K | 48.5 | Very low | 42.3 | Very low | 97 Ų | 97 | 95 Ų | 95 | 42% | 0.422 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.3 | -51.9 | 170.1 | -99.9 | -166 | 170.1 | -160.2 | 0 | 111.2 | N45 Q46 I51 I52 E53 Q1428 | N45-K49 VanDerWaalsContact O-CB 3.32Å; N45-K49 WeakPolarHBondContact O-CB 3.45Å; N45-K49 PolarHBondContact O-N 3.34Å; Q46-K49 CarbonylContact O-C 3.56Å; Q46-K49 WeakPolarHBondContact O-CA 3.33Å; Q46-K49 WeakPolarHBondContact O-CB 3.4Å; Q46-K49 PolarHBondContact O-N 3.5Å; K49-I51 VanDerWaalsContact C-N 3.3Å; K49-I51 PolarHBondContact O-N 2.85Å; K49-I52 CarbonylContact O-C 3.48Å; K49-I52 PolarHBondContact O-N 2.79Å; K49-E53 WeakPolarHBondContact O-CB 2.91Å; K49-E53 WeakPolarHBondContact O-CG 3.42Å; K49-E53 PolarHBondContact O-N 2.77Å; K49-Q1428 VanDerWaalsContact NZ-CD 3.33Å; K49-Q1428 VanDerWaalsContact NZ-NE2 3.12Å |
| 50 | T | 47.3 | Very low | 42.7 | Very low | 71 Ų | 71 | 93.4 Ų | 93.4 | 44% | 0.436 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 179.4 | -56.2 | 0 | 0 | 0 | 0 | 111 | Q46 N47 E53 Y54 | Q46-T50 WeakPolarHBondContact O-CB 3.13Å; Q46-T50 PolarHBondContact O-N 2.61Å; Q46-T50 PolarHBondContact O-OG1 2.63Å; N47-T50 PolarHBondContact O-N 3.09Å; T50-E53 PolarHBondContact O-N 3.25Å; T50-Y54 HydrophobicContact CG2-CD2 4.25Å; T50-Y54 VanDerWaalsContact O-CB 3.28Å; T50-Y54 WeakPolarHBondContact O-CB 3.32Å; T50-Y54 PolarHBondContact O-N 2.12Å |
| 51 | I | 43.4 | Very low | 43.3 | Very low | 74 Ų | 74 | 94.3 Ų | 94.3 | 38% | 0.379 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69 | -38.8 | 174.5 | -69.2 | 164.2 | 0 | 0 | 0 | 111.8 | N47 I48 K49 K55 | N47-I51 WeakPolarHBondContact O-CB 3.5Å; N47-I51 WeakPolarHBondContact O-CD1 3.45Å; N47-I51 WeakPolarHBondContact O-CG1 3.43Å; N47-I51 PolarHBondContact O-N 2.84Å; I48-I51 PolarHBondContact O-N 3.34Å; K49-I51 VanDerWaalsContact C-N 3.3Å; K49-I51 PolarHBondContact O-N 2.85Å; I51-K55 WeakPolarHBondContact O-CB 3.44Å; I51-K55 WeakPolarHBondContact O-CG 3.46Å; I51-K55 PolarHBondContact O-N 2.78Å |
| 52 | I | 47.9 | Very low | 43.8 | Very low | 84 Ų | 84 | 96.3 Ų | 96.3 | 43% | 0.431 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.4 | -33 | 176.2 | -72.5 | 170.5 | 0 | 0 | 0 | 111.5 | I48 K49 K55 K56 | I48-I52 HydrophobicContact CG2-CD1 3.66Å; I48-I52 HydrophobicContact CG2-CG1 4.38Å; I48-I52 VanDerWaalsContact O-CB 3.31Å; I48-I52 WeakPolarHBondContact O-CB 3.46Å; I48-I52 WeakPolarHBondContact O-CG1 3.28Å; I48-I52 PolarHBondContact O-N 2.79Å; K49-I52 CarbonylContact O-C 3.48Å; K49-I52 PolarHBondContact O-N 2.79Å; I52-K55 PolarHBondContact O-N 3.16Å; I52-K56 HydrophobicContact CG2-CD 4.4Å; I52-K56 WeakPolarHBondContact O-CB 3.17Å; I52-K56 VanDerWaalsContact O-CG 3.3Å; I52-K56 WeakPolarHBondContact O-CG 3.29Å; I52-K56 PolarHBondContact O-N 3.15Å |
| 53 | E | 43.6 | Very low | 45.5 | Very low | 66 Ų | 66 | 93.6 Ų | 93.6 | 31% | 0.308 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -78.9 | -36.5 | 176.6 | -72.6 | 176.4 | 162.3 | 0 | 0 | 110.5 | K49 T50 K55 K56 N57 Q1428 | K49-E53 WeakPolarHBondContact O-CB 2.91Å; K49-E53 WeakPolarHBondContact O-CG 3.42Å; K49-E53 PolarHBondContact O-N 2.77Å; T50-E53 PolarHBondContact O-N 3.25Å; E53-K55 VanDerWaalsContact C-N 3.34Å; E53-K55 PolarHBondContact O-N 3.2Å; E53-K56 PolarHBondContact O-N 2.93Å; E53-N57 WeakPolarHBondContact O-CB 3.35Å; E53-N57 PolarHBondContact O-N 2.84Å; E53-N57 PolarHBondContact O-ND2 3.49Å; E53-Q1428 PolarHBondContact OE1-NE2 3.25Å |
| 54 | Y | 36 | Very low | 47.6 | Very low | 170 Ų | 170 | 88 Ų | 88 | 67% | 0.667 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57.2 | -44 | 164 | -110.3 | -90.9 | 0 | 0 | 0 | 111.7 | T50 N57 E58 | T50-Y54 HydrophobicContact CG2-CD2 4.25Å; T50-Y54 VanDerWaalsContact O-CB 3.28Å; T50-Y54 WeakPolarHBondContact O-CB 3.32Å; T50-Y54 PolarHBondContact O-N 2.12Å; Y54-N57 CarbonylContact O-C 3.46Å; Y54-N57 WeakPolarHBondContact O-CB 3.35Å; Y54-N57 PolarHBondContact O-N 3.31Å; Y54-E58 WeakPolarHBondContact O-CB 3.47Å; Y54-E58 PolarHBondContact O-N 3.28Å |
| 55 | K | 40.4 | Very low | 50.1 | Low | 62 Ų | 62 | 88.8 Ų | 88.8 | 27% | 0.27 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -73.6 | -36.1 | 178.5 | -79.5 | -177.4 | 175.3 | -179.8 | 0 | 114.4 | S26 I51 I52 E53 N57 E58 D59 | S26-K55 VanDerWaalsContact CB-NZ 3.31Å; S26-K55 WeakPolarHBondContact OG-CE 3.49Å; S26-K55 PolarHBondContact OG-NZ 3.19Å; I51-K55 WeakPolarHBondContact O-CB 3.44Å; I51-K55 WeakPolarHBondContact O-CG 3.46Å; I51-K55 PolarHBondContact O-N 2.78Å; I52-K55 PolarHBondContact O-N 3.16Å; E53-K55 VanDerWaalsContact C-N 3.34Å; E53-K55 PolarHBondContact O-N 3.2Å; K55-N57 VanDerWaalsContact C-N 3.3Å; K55-E58 PolarHBondContact O-N 3.22Å; K55-D59 PolarHBondContact O-N 2.84Å |
| 56 | K | 42 | Very low | 52.2 | Low | 116 Ų | 116 | 87.2 Ų | 87.2 | 50% | 0.504 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 169.9 | -79.7 | 174 | 179.4 | 174.4 | 0 | 111.1 | I52 E53 D59 Q60 | I52-K56 HydrophobicContact CG2-CD 4.4Å; I52-K56 WeakPolarHBondContact O-CB 3.17Å; I52-K56 VanDerWaalsContact O-CG 3.3Å; I52-K56 WeakPolarHBondContact O-CG 3.29Å; I52-K56 PolarHBondContact O-N 3.15Å; E53-K56 PolarHBondContact O-N 2.93Å; K56-D59 PolarHBondContact O-N 3.32Å; K56-Q60 WeakPolarHBondContact O-CG 3.03Å; K56-Q60 PolarHBondContact O-N 3.17Å |
| 57 | N | 41.4 | Very low | 54.4 | Low | 46 Ų | 46 | 81.1 Ų | 81.1 | 25% | 0.246 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 171.9 | -74.2 | -15.6 | 0 | 0 | 0 | 110.2 | E53 Y54 K55 D59 Q60 F61 K1459 | E53-N57 WeakPolarHBondContact O-CB 3.35Å; E53-N57 PolarHBondContact O-N 2.84Å; E53-N57 PolarHBondContact O-ND2 3.49Å; Y54-N57 CarbonylContact O-C 3.46Å; Y54-N57 WeakPolarHBondContact O-CB 3.35Å; Y54-N57 PolarHBondContact O-N 3.31Å; K55-N57 VanDerWaalsContact C-N 3.3Å; N57-D59 VanDerWaalsContact C-N 3.3Å; N57-D59 PolarHBondContact O-N 2.92Å; N57-Q60 CarbonylContact O-C 3.57Å; N57-Q60 WeakPolarHBondContact O-CA 3.37Å; N57-Q60 PolarHBondContact O-N 3.2Å; N57-F61 HydrophobicContact CB-CD2 3.94Å; N57-F61 HydrophobicContact CB-CE2 3.73Å; N57-F61 VanDerWaalsContact O-CB 3.29Å; N57-F61 WeakPolarHBondContact O-CB 3.2Å; N57-F61 WeakPolarHBondContact O-CD2 3.48Å; N57-F61 WeakPolarHBondContact O-CG 3.45Å; N57-F61 PolarHBondContact O-N 3.46Å; N57-K1459 WeakPolarHBondContact OD1-CE 3.29Å; N57-K1459 PolarHBondContact OD1-NZ 2.82Å |
| 58 | E | 42.7 | Very low | 56.8 | Low | 69 Ų | 69 | 76.6 Ų | 76.6 | 32% | 0.322 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60 | -36.6 | 175.6 | -165.8 | 176.7 | -146.5 | 0 | 0 | 112.2 | Y54 K55 F61 K62 | Y54-E58 WeakPolarHBondContact O-CB 3.47Å; Y54-E58 PolarHBondContact O-N 3.28Å; K55-E58 PolarHBondContact O-N 3.22Å; E58-F61 PolarHBondContact O-N 3.34Å; E58-K62 VanDerWaalsContact O-CG 3.27Å; E58-K62 WeakPolarHBondContact O-CG 3.42Å; E58-K62 PolarHBondContact O-N 3.38Å |
| 59 | D | 42.3 | Very low | 58.8 | Low | 101 Ų | 101 | 79.3 Ų | 79.3 | 54% | 0.54 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.5 | -26.2 | 171.3 | -79.4 | -20.8 | 0 | 0 | 0 | 113.8 | K55 K56 N57 K62 | K55-D59 PolarHBondContact O-N 2.84Å; K56-D59 PolarHBondContact O-N 3.32Å; N57-D59 VanDerWaalsContact C-N 3.3Å; N57-D59 PolarHBondContact O-N 2.92Å; D59-K62 IonicContact OD1-NZ 3.39Å; D59-K62 PolarHBondContact OD1-NZ 3.07Å |
| 60 | Q | 44.8 | Very low | 60.8 | Low | 123 Ų | 123 | 77.6 Ų | 77.6 | 58% | 0.575 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -80.2 | -28.7 | 169.1 | -72.3 | -163.9 | -77.7 | 0 | 0 | 112.9 | K56 N57 | K56-Q60 WeakPolarHBondContact O-CG 3.03Å; K56-Q60 PolarHBondContact O-N 3.17Å; N57-Q60 CarbonylContact O-C 3.57Å; N57-Q60 WeakPolarHBondContact O-CA 3.37Å; N57-Q60 PolarHBondContact O-N 3.2Å |
| 61 | F | 49.1 | Very low | 62.8 | Low | 92 Ų | 92 | 75 Ų | 75 | 40% | 0.404 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -90 | -14 | -176.5 | -67.4 | -39.9 | 0 | 0 | 0 | 113.3 | N57 E58 D63 I64 Y262 | N57-F61 HydrophobicContact CB-CD2 3.94Å; N57-F61 HydrophobicContact CB-CE2 3.73Å; N57-F61 VanDerWaalsContact O-CB 3.29Å; N57-F61 WeakPolarHBondContact O-CB 3.2Å; N57-F61 WeakPolarHBondContact O-CD2 3.48Å; N57-F61 WeakPolarHBondContact O-CG 3.45Å; N57-F61 PolarHBondContact O-N 3.46Å; E58-F61 PolarHBondContact O-N 3.34Å; F61-D63 PolarHBondContact O-N 3.16Å; F61-I64 HydrophobicContact CD1-CD1 3.73Å; F61-I64 HydrophobicContact CE1-CD1 4.27Å; F61-I64 PolarHBondContact O-N 3.42Å; F61-I64 VanDerWaalsContact O-N 3.12Å; F61-Y262 HydrophobicContact CE1-CE1 4.15Å |
| 62 | K | 51.9 | Low | 65 | Low | 128 Ų | 128 | 76 Ų | 76 | 56% | 0.557 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -30.9 | 177.5 | -96 | 166.1 | -163.7 | 164.9 | 0 | 114.9 | E58 D59 | E58-K62 VanDerWaalsContact O-CG 3.27Å; E58-K62 WeakPolarHBondContact O-CG 3.42Å; E58-K62 PolarHBondContact O-N 3.38Å; D59-K62 IonicContact OD1-NZ 3.39Å; D59-K62 PolarHBondContact OD1-NZ 3.07Å |
| 63 | D | 74.2 | Confident | 67.1 | Low | 112 Ų | 112 | 72.2 Ų | 72.2 | 60% | 0.599 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 2.4 | -178.2 | -57 | -29.2 | 0 | 0 | 0 | 112.5 | F61 P250 | F61-D63 PolarHBondContact O-N 3.16Å; D63-P250 HydrophobicContact CB-CG 3.77Å; D63-P250 WeakPolarHBondContact O-CD 3.39Å |
| 64 | I | 83.6 | Confident | 69.1 | Low | 31 Ų | 31 | 72.8 Ų | 72.8 | 16% | 0.159 | 34% | 0.344 | C | S | . | . | trans | -85.9 | 130.2 | 171.9 | -60.1 | -170.4 | 0 | 0 | 0 | 109.3 | F61 L247 I249 Y262 | F61-I64 HydrophobicContact CD1-CD1 3.73Å; F61-I64 HydrophobicContact CE1-CD1 4.27Å; F61-I64 PolarHBondContact O-N 3.42Å; F61-I64 VanDerWaalsContact O-N 3.12Å; I64-L247 HydrophobicContact CG2-CB 4.32Å; I64-L247 HydrophobicContact CG2-CD1 4.39Å; I64-L247 HydrophobicContact CG2-CD2 4.41Å; I64-I249 HydrophobicContact CD1-CD1 4.26Å; I64-I249 HydrophobicContact CD1-CG1 4.07Å; I64-I249 HydrophobicContact CD1-CG2 4.21Å; I64-I249 HydrophobicContact CG1-CG1 4.23Å; I64-I249 HydrophobicContact CG1-CG2 4.27Å; I64-I249 HydrophobicContact CG2-CG1 3.99Å; I64-Y262 HydrophobicContact CD1-CE1 3.6Å; I64-Y262 WeakPolarHBondContact CD1-OH 3.15Å | ||
| 65 | I | 89.3 | Confident | 71.6 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 103.7 | -173.2 | -49.4 | 172.6 | 0 | 0 | 0 | 108.2 | L67 I70 F116 L247 I248 | I65-L67 HydrophobicContact CG2-CD2 3.87Å; I65-L67 PolarHBondContact O-N 2.85Å; I65-I70 HydrophobicContact CG2-CD1 4.45Å; I65-F116 HydrophobicContact CD1-CD1 3.47Å; I65-F116 VanDerWaalsContact CD1-CD1 3.47Å; I65-F116 HydrophobicContact CD1-CE1 3.67Å; I65-F116 HydrophobicContact CG2-CE1 4.49Å; I65-L247 WeakPolarHBondContact O-CA 3.35Å; I65-I248 HydrophobicContact CB-CB 4.44Å; I65-I248 PolarHBondContact N-O 2.89Å; I65-I248 PolarHBondContact O-N 3.34Å |
| 66 | D | 91.5 | Very high | 73.9 | Confident | 51 Ų | 51 | 68 Ų | 68 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 110.9 | 170.9 | -172.8 | -39.5 | 0 | 0 | 0 | 109.6 | L68 Q69 I70 L247 | D66-L68 VanDerWaalsContact C-N 3.32Å; D66-L68 WeakPolarHBondContact OD1-CA 3.42Å; D66-L68 WeakPolarHBondContact OD1-CB 3.19Å; D66-L68 PolarHBondContact OD1-N 3.18Å; D66-Q69 HydrophobicContact CB-CB 3.96Å; D66-Q69 PolarHBondContact OD1-N 2.71Å; D66-I70 WeakPolarHBondContact O-CB 3.39Å; D66-I70 WeakPolarHBondContact O-CG2 3.23Å; D66-I70 PolarHBondContact O-N 2.81Å; D66-I70 VanDerWaalsContact O-N 3.12Å; D66-L247 HydrophobicContact CB-CD2 3.68Å |
| 67 | L | 92.9 | Very high | 76 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -12.5 | -176.9 | -70.6 | -162.7 | 0 | 0 | 0 | 113.8 | I65 I70 V71 F116 F141 L227 I229 L246 I248 | I65-L67 HydrophobicContact CG2-CD2 3.87Å; I65-L67 PolarHBondContact O-N 2.85Å; L67-I70 HydrophobicContact CD2-CG2 4.3Å; L67-V71 VanDerWaalsContact O-CG2 3.32Å; L67-V71 WeakPolarHBondContact O-CG2 3.13Å; L67-F116 HydrophobicContact CD2-CZ 4.49Å; L67-F141 HydrophobicContact CD1-CB 4.38Å; L67-F141 HydrophobicContact CD1-CD1 4.22Å; L67-F141 HydrophobicContact CD1-CD2 4.41Å; L67-F141 HydrophobicContact CD1-CG 4.08Å; L67-L227 HydrophobicContact CD2-CD2 3.84Å; L67-I229 HydrophobicContact CB-CD1 4.1Å; L67-I229 WeakPolarHBondContact O-CD1 3.26Å; L67-L246 HydrophobicContact CB-CB 4.15Å; L67-L246 HydrophobicContact CB-CD2 3.7Å; L67-L246 HydrophobicContact CB-CG 3.81Å; L67-L246 WeakPolarHBondContact CB-O 3.35Å; L67-L246 HydrophobicContact CD1-CD2 3.91Å; L67-L246 HydrophobicContact CD1-CG 4.08Å; L67-L246 HydrophobicContact CG-CD2 4.39Å; L67-L246 HydrophobicContact CG-CG 4.33Å; L67-L246 PolarHBondContact N-O 2.79Å; L67-I248 HydrophobicContact CD1-CD1 3.88Å; L67-I248 HydrophobicContact CD1-CG1 4.26Å; L67-I248 HydrophobicContact CG-CD1 4.4Å; L67-I248 HydrophobicContact CG-CG1 4.5Å |
| 68 | L | 92.6 | Very high | 77.9 | Confident | 6 Ų | 6 | 69.6 Ų | 69.6 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -39.9 | 172.5 | -64.9 | -174.7 | 0 | 0 | 0 | 111.1 | D66 V71 E72 I73 L230 I243 L246 | D66-L68 VanDerWaalsContact C-N 3.32Å; D66-L68 WeakPolarHBondContact OD1-CA 3.42Å; D66-L68 WeakPolarHBondContact OD1-CB 3.19Å; D66-L68 PolarHBondContact OD1-N 3.18Å; L68-V71 VanDerWaalsContact O-CG2 3.22Å; L68-V71 WeakPolarHBondContact O-CG2 3.41Å; L68-E72 PolarHBondContact O-N 3.32Å; L68-I73 HydrophobicContact CB-CG2 3.86Å; L68-I73 HydrophobicContact CD2-CD1 4.18Å; L68-I73 WeakPolarHBondContact O-CG2 3.37Å; L68-I73 PolarHBondContact O-N 2.78Å; L68-L230 HydrophobicContact CD2-CD1 4.32Å; L68-I243 HydrophobicContact CD1-CG1 4.21Å; L68-I243 HydrophobicContact CD1-CG2 4.17Å; L68-I243 HydrophobicContact CD2-CG2 4.16Å; L68-L246 HydrophobicContact CD2-CB 4.43Å; L68-L246 HydrophobicContact CG-CB 4.04Å |
| 69 | Q | 90.3 | Very high | 80 | Confident | 130 Ų | 130 | 72.1 Ų | 72.1 | 61% | 0.607 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -33.7 | 177.2 | -174.3 | 168.7 | 87.3 | 0 | 0 | 112.3 | D66 V71 E72 | D66-Q69 HydrophobicContact CB-CB 3.96Å; D66-Q69 PolarHBondContact OD1-N 2.71Å; Q69-V71 VanDerWaalsContact C-N 3.33Å; Q69-V71 PolarHBondContact O-N 2.87Å; Q69-E72 PolarHBondContact O-N 3.25Å |
| 70 | I | 88.6 | Confident | 82.1 | Confident | 61 Ų | 61 | 67.8 Ų | 67.8 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -21.4 | -177 | -156.7 | 167.5 | 0 | 0 | 0 | 114.7 | I65 D66 L67 L110 A115 | I65-I70 HydrophobicContact CG2-CD1 4.45Å; D66-I70 WeakPolarHBondContact O-CB 3.39Å; D66-I70 WeakPolarHBondContact O-CG2 3.23Å; D66-I70 PolarHBondContact O-N 2.81Å; D66-I70 VanDerWaalsContact O-N 3.12Å; L67-I70 HydrophobicContact CD2-CG2 4.3Å; I70-L110 HydrophobicContact CD1-CD1 4.01Å; I70-L110 HydrophobicContact CG1-CD1 3.91Å; I70-L110 HydrophobicContact CG2-CD1 4.21Å; I70-L110 HydrophobicContact CG2-CD2 4.3Å; I70-A115 HydrophobicContact CD1-CB 4.21Å |
| 71 | V | 90.7 | Very high | 84.2 | Confident | 16 Ų | 16 | 62 Ų | 62 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 1.9 | 168.8 | -73.4 | 0 | 0 | 0 | 0 | 112.6 | L67 L68 Q69 I73 L108 L110 I229 | L67-V71 VanDerWaalsContact O-CG2 3.32Å; L67-V71 WeakPolarHBondContact O-CG2 3.13Å; L68-V71 VanDerWaalsContact O-CG2 3.22Å; L68-V71 WeakPolarHBondContact O-CG2 3.41Å; Q69-V71 VanDerWaalsContact C-N 3.33Å; Q69-V71 PolarHBondContact O-N 2.87Å; V71-I73 VanDerWaalsContact C-N 3.34Å; V71-I73 HydrophobicContact CG2-CB 4.38Å; V71-I73 PolarHBondContact O-N 3.28Å; V71-L108 HydrophobicContact CB-CD2 3.77Å; V71-L108 HydrophobicContact CG1-CD2 4.5Å; V71-L108 HydrophobicContact CG2-CD2 3.56Å; V71-L110 HydrophobicContact CG1-CD2 3.48Å; V71-L110 VanDerWaalsContact CG1-CD2 3.48Å; V71-I229 HydrophobicContact CG1-CD1 3.53Å; V71-I229 HydrophobicContact CG1-CG1 4.2Å; V71-I229 HydrophobicContact CG2-CD1 4.34Å |
| 72 | E | 90.1 | Very high | 86.1 | Confident | 96 Ų | 96 | 60.4 Ų | 60.4 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 48.2 | -178.4 | -47.9 | -163.5 | 131.3 | 0 | 0 | 112 | L68 Q69 D74 K75 | L68-E72 PolarHBondContact O-N 3.32Å; Q69-E72 PolarHBondContact O-N 3.25Å; E72-D74 VanDerWaalsContact CA-OD1 3.3Å; E72-D74 WeakPolarHBondContact CA-OD1 3.4Å; E72-D74 PolarHBondContact O-N 3.42Å; E72-D74 VanDerWaalsContact O-N 3.13Å; E72-K75 HydrophobicContact CB-CB 4.34Å; E72-K75 HydrophobicContact CB-CD 4Å; E72-K75 HydrophobicContact CB-CG 4.12Å; E72-K75 WeakPolarHBondContact O-CA 3.06Å; E72-K75 WeakPolarHBondContact O-CB 3.18Å; E72-K75 PolarHBondContact O-N 2.94Å; E72-K75 IonicContact OE1-NZ 2.85Å; E72-K75 PolarHBondContact OE1-NZ 2.98Å; E72-K75 WeakPolarHBondContact OE2-CD 3.48Å; E72-K75 WeakPolarHBondContact OE2-CE 3.31Å; E72-K75 IonicContact OE2-NZ 3.69Å; E72-K75 PolarHBondContact OE2-NZ 3.32Å |
| 73 | I | 90.7 | Very high | 87.9 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -59.7 | -26.2 | -177.7 | -160.7 | 165.8 | 0 | 0 | 0 | 112.7 | L68 V71 K75 L76 V81 Y100 L108 L230 | L68-I73 HydrophobicContact CB-CG2 3.86Å; L68-I73 HydrophobicContact CD2-CD1 4.18Å; L68-I73 WeakPolarHBondContact O-CG2 3.37Å; L68-I73 PolarHBondContact O-N 2.78Å; V71-I73 VanDerWaalsContact C-N 3.34Å; V71-I73 HydrophobicContact CG2-CB 4.38Å; V71-I73 PolarHBondContact O-N 3.28Å; I73-K75 PolarHBondContact O-N 2.96Å; I73-L76 HydrophobicContact CG1-CD1 4.36Å; I73-L76 HydrophobicContact CG1-CG 4.46Å; I73-L76 PolarHBondContact O-N 3.36Å; I73-V81 HydrophobicContact CD1-CG2 4.28Å; I73-V81 HydrophobicContact CG1-CG2 4.2Å; I73-Y100 HydrophobicContact CD1-CD1 4.35Å; I73-Y100 HydrophobicContact CD1-CG 3.99Å; I73-Y100 HydrophobicContact CG1-CD1 3.96Å; I73-Y100 HydrophobicContact CG1-CG 4.08Å; I73-Y100 HydrophobicContact CG2-CD1 4.05Å; I73-Y100 HydrophobicContact CG2-CD2 3.82Å; I73-Y100 HydrophobicContact CG2-CE1 4.01Å; I73-Y100 HydrophobicContact CG2-CE2 3.79Å; I73-Y100 HydrophobicContact CG2-CG 3.97Å; I73-L108 HydrophobicContact CB-CD2 4.35Å; I73-L108 HydrophobicContact CD1-CD1 4.25Å; I73-L108 HydrophobicContact CD1-CD2 4.29Å; I73-L108 HydrophobicContact CG1-CD2 4.16Å; I73-L230 HydrophobicContact CD1-CD1 3.77Å |
| 74 | D | 86.7 | Confident | 88.4 | Confident | 78 Ų | 78 | 53.6 Ų | 53.6 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -62.9 | -18.2 | 172.1 | 65.3 | -61.1 | 0 | 0 | 0 | 113.5 | E72 R83 | E72-D74 VanDerWaalsContact CA-OD1 3.3Å; E72-D74 WeakPolarHBondContact CA-OD1 3.4Å; E72-D74 PolarHBondContact O-N 3.42Å; E72-D74 VanDerWaalsContact O-N 3.13Å; D74-R83 VanDerWaalsContact C-NH2 3.27Å; D74-R83 PolarHBondContact O-NH2 2.76Å |
| 75 | K | 88.2 | Confident | 88.4 | Confident | 123 Ų | 123 | 57.8 Ų | 57.8 | 54% | 0.535 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -106.1 | -3.4 | 177.1 | -52.1 | -174.2 | -160 | 168.6 | 0 | 114.3 | E72 I73 | E72-K75 HydrophobicContact CB-CB 4.34Å; E72-K75 HydrophobicContact CB-CD 4Å; E72-K75 HydrophobicContact CB-CG 4.12Å; E72-K75 WeakPolarHBondContact O-CA 3.06Å; E72-K75 WeakPolarHBondContact O-CB 3.18Å; E72-K75 PolarHBondContact O-N 2.94Å; E72-K75 IonicContact OE1-NZ 2.85Å; E72-K75 PolarHBondContact OE1-NZ 2.98Å; E72-K75 WeakPolarHBondContact OE2-CD 3.48Å; E72-K75 WeakPolarHBondContact OE2-CE 3.31Å; E72-K75 IonicContact OE2-NZ 3.69Å; E72-K75 PolarHBondContact OE2-NZ 3.32Å; I73-K75 PolarHBondContact O-N 2.96Å |
| 76 | L | 87.7 | Confident | 88.1 | Confident | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -65.1 | 147.5 | 174.1 | -71.1 | -157.1 | 0 | 0 | 0 | 111.7 | I73 E80 V81 R83 Y102 K107 L108 | I73-L76 HydrophobicContact CG1-CD1 4.36Å; I73-L76 HydrophobicContact CG1-CG 4.46Å; I73-L76 PolarHBondContact O-N 3.36Å; L76-E80 HydrophobicContact CB-CB 4.38Å; L76-E80 HydrophobicContact CD1-CB 4.27Å; L76-V81 HydrophobicContact CB-CB 4.28Å; L76-V81 HydrophobicContact CB-CG1 3.7Å; L76-R83 PolarHBondContact O-NH1 3.38Å; L76-R83 PolarHBondContact O-NH2 2.8Å; L76-Y102 HydrophobicContact CD1-CD2 4.13Å; L76-Y102 HydrophobicContact CD1-CE2 3.86Å; L76-K107 HydrophobicContact CD2-CB 3.7Å; L76-K107 HydrophobicContact CD2-CD 3.5Å; L76-K107 VanDerWaalsContact CD2-CD 3.5Å; L76-K107 HydrophobicContact CD2-CG 4.27Å; L76-L108 HydrophobicContact CD1-CD1 4.27Å; L76-L108 HydrophobicContact CD1-CD2 3.58Å; L76-L108 HydrophobicContact CD1-CG 3.83Å; L76-L108 HydrophobicContact CG-CD2 4.24Å |
| 77 | D | 86.1 | Confident | 87.9 | Confident | 67 Ų | 67 | 54.4 Ų | 54.4 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | trans | -67.8 | 151.6 | -176.7 | -65.2 | -70.5 | 0 | 0 | 0 | 111.3 | Y79 E80 V81 K107 | D77-Y79 HydrophobicContact CB-CD1 3.43Å; D77-Y79 VanDerWaalsContact CB-CD1 3.43Å; D77-Y79 HydrophobicContact CB-CE1 3.09Å; D77-Y79 HydrophobicContact CB-CE2 4.44Å; D77-Y79 HydrophobicContact CB-CG 4.19Å; D77-Y79 PolarHBondContact O-N 2.68Å; D77-Y79 WeakPolarHBondContact OD2-CE1 3.38Å; D77-Y79 PolarHBondContact OD2-OH 2.8Å; D77-E80 HydrophobicContact CB-CG 4.28Å; D77-E80 PolarHBondContact N-OE2 2.88Å; D77-E80 PolarHBondContact O-N 2.91Å; D77-V81 PolarHBondContact O-N 3.08Å; D77-K107 IonicContact OD2-NZ 3.5Å; D77-K107 PolarHBondContact OD2-NZ 2.81Å | ||
| 78 | N | 82.6 | Confident | 87.2 | Confident | 129 Ų | 129 | 54.5 Ų | 54.5 | 69% | 0.69 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -7.4 | 178.2 | -72.2 | -28.5 | 0 | 0 | 0 | 114.1 | V81 R83 | N78-V81 WeakPolarHBondContact CA-O 3.32Å; N78-R83 PolarHBondContact OD1-NH1 3.21Å |
| 79 | Y | 85.7 | Confident | 85.7 | Confident | 122 Ų | 122 | 55.4 Ų | 55.4 | 48% | 0.478 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -6.1 | 172.5 | 71.6 | -100.1 | 0 | 0 | 0 | 114.1 | D77 R104 | D77-Y79 HydrophobicContact CB-CD1 3.43Å; D77-Y79 VanDerWaalsContact CB-CD1 3.43Å; D77-Y79 HydrophobicContact CB-CE1 3.09Å; D77-Y79 HydrophobicContact CB-CE2 4.44Å; D77-Y79 HydrophobicContact CB-CG 4.19Å; D77-Y79 PolarHBondContact O-N 2.68Å; D77-Y79 WeakPolarHBondContact OD2-CE1 3.38Å; D77-Y79 PolarHBondContact OD2-OH 2.8Å; Y79-R104 PolarHBondContact O-NE 3.25Å |
| 80 | E | 85.9 | Confident | 83.8 | Confident | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -39.3 | 176.9 | -59.1 | 178.1 | 142.1 | 0 | 0 | 110.2 | L76 D77 Y102 H103 R104 K107 | L76-E80 HydrophobicContact CB-CB 4.38Å; L76-E80 HydrophobicContact CD1-CB 4.27Å; D77-E80 HydrophobicContact CB-CG 4.28Å; D77-E80 PolarHBondContact N-OE2 2.88Å; D77-E80 PolarHBondContact O-N 2.91Å; E80-Y102 WeakPolarHBondContact O-CD2 3.34Å; E80-H103 PolarHBondContact O-N 2.85Å; E80-R104 WeakPolarHBondContact CA-O 3.29Å; E80-R104 VanDerWaalsContact CB-O 3.28Å; E80-R104 WeakPolarHBondContact CB-O 3.44Å; E80-K107 WeakPolarHBondContact OE1-CD 3.41Å; E80-K107 WeakPolarHBondContact OE1-CE 3.26Å; E80-K107 IonicContact OE1-NZ 2.61Å; E80-K107 PolarHBondContact OE1-NZ 2.95Å; E80-K107 WeakPolarHBondContact OE2-CD 3.44Å; E80-K107 IonicContact OE2-NZ 3.88Å; E80-K107 PolarHBondContact OE2-NZ 3.11Å |
| 81 | V | 89.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 135.4 | -179.7 | 78.2 | 0 | 0 | 0 | 0 | 112.1 | I73 L76 D77 N78 Y100 S101 | I73-V81 HydrophobicContact CD1-CG2 4.28Å; I73-V81 HydrophobicContact CG1-CG2 4.2Å; L76-V81 HydrophobicContact CB-CB 4.28Å; L76-V81 HydrophobicContact CB-CG1 3.7Å; D77-V81 PolarHBondContact O-N 3.08Å; N78-V81 WeakPolarHBondContact CA-O 3.32Å; V81-Y100 HydrophobicContact CG1-CD1 4.35Å; V81-Y100 HydrophobicContact CG2-CD1 3.79Å; V81-Y100 HydrophobicContact CG2-CG 4.22Å; V81-S101 CarbonylContact C-O 3.58Å; V81-S101 WeakPolarHBondContact CA-O 3.47Å; V81-S101 WeakPolarHBondContact CG2-O 3.41Å |
| 82 | T | 89.7 | Confident | 79.8 | Confident | 59 Ų | 59 | 59.3 Ų | 59.3 | 36% | 0.362 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.5 | 164.8 | -64 | 0 | 0 | 0 | 0 | 109.7 | Y100 S101 H103 | T82-Y100 WeakPolarHBondContact O-CA 3.45Å; T82-S101 PolarHBondContact N-O 2.79Å; T82-S101 PolarHBondContact O-N 3.2Å; T82-H103 PolarHBondContact OG1-NE2 2.96Å |
| 83 | R | 89 | Confident | 77.6 | Confident | 81 Ų | 81 | 58.9 Ų | 58.9 | 31% | 0.306 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 133.7 | 169.5 | -64 | 162.6 | 179.9 | 74.6 | 5.2 | 108.7 | D74 L76 N78 T98 A99 Y100 | D74-R83 VanDerWaalsContact C-NH2 3.27Å; D74-R83 PolarHBondContact O-NH2 2.76Å; L76-R83 PolarHBondContact O-NH1 3.38Å; L76-R83 PolarHBondContact O-NH2 2.8Å; N78-R83 PolarHBondContact OD1-NH1 3.21Å; R83-T98 HydrophobicContact CB-CG2 4.16Å; R83-T98 HydrophobicContact CG-CG2 4.32Å; R83-A99 CarbonylContact C-O 3.49Å; R83-A99 WeakPolarHBondContact CA-O 3.38Å; R83-Y100 HydrophobicContact CG-CD1 4.11Å; R83-Y100 HydrophobicContact CG-CE1 3.87Å |
| 84 | Q | 85.2 | Confident | 75.3 | Confident | 17 Ų | 17 | 68 Ų | 68 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 174.2 | 176.3 | 78.2 | -135.7 | -97.9 | 0 | 0 | 109.5 | A99 S101 A242 | Q84-A99 HydrophobicContact CG-CB 3.96Å; Q84-A99 PolarHBondContact N-O 2.88Å; Q84-A99 PolarHBondContact NE2-O 2.8Å; Q84-A99 PolarHBondContact O-N 2.97Å; Q84-S101 PolarHBondContact NE2-OG 3.03Å; Q84-A242 VanDerWaalsContact OE1-CB 3.32Å |
| 85 | Y | 82.9 | Confident | 73.4 | Confident | 118 Ų | 118 | 70.1 Ų | 70.1 | 46% | 0.463 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 138.9 | 171.4 | -66 | -80.1 | 0 | 0 | 0 | 111.7 | P96 | Y85-P96 HydrophobicContact CD1-CB 4.17Å; Y85-P96 HydrophobicContact CE1-CB 4.29Å |
| 86 | G | 83.8 | Confident | 71.7 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -78.6 | -167.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | C88 N97 E244 Q276 | G86-C88 PolarHBondContact O-N 3.4Å; G86-N97 PolarHBondContact N-O 3.33Å; G86-E244 VanDerWaalsContact CA-OE2 3.24Å; G86-E244 WeakPolarHBondContact CA-OE2 3.37Å; G86-Q276 PolarHBondContact O-NE2 3.39Å; G86-Q276 PolarHBondContact O-OE1 2.89Å | ||
| 87 | F | 86.5 | Confident | 71 | Confident | 17 Ų | 17 | 69 Ų | 69 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -55.5 | -19.9 | 178 | 176.2 | -122.8 | 0 | 0 | 0 | 114.3 | T129 W186 R188 E244 C265 | F87-T129 HydrophobicContact CB-CG2 3.91Å; F87-T129 HydrophobicContact CG-CG2 4.39Å; F87-W186 HydrophobicContact CB-CB 4.19Å; F87-W186 HydrophobicContact CB-CD2 4.11Å; F87-W186 HydrophobicContact CB-CE3 4.46Å; F87-W186 HydrophobicContact CB-CG 3.98Å; F87-W186 HydrophobicContact CD2-CB 3.42Å; F87-W186 VanDerWaalsContact CD2-CB 3.42Å; F87-W186 AromaticContact CD2-CG 3.98Å; F87-W186 HydrophobicContact CD2-CG 3.98Å; F87-W186 HydrophobicContact CE2-CB 4.2Å; F87-W186 HydrophobicContact CG-CB 4.19Å; F87-W186 HydrophobicContact CG-CG 4.47Å; F87-R188 HydrophobicContact CE1-CG 4.41Å; F87-R188 VanDerWaalsContact CZ-CZ 3.46Å; F87-E244 WeakPolarHBondContact CB-OE2 3.05Å; F87-E244 PolarHBondContact N-OE2 2.89Å; F87-C265 HydrophobicContact CD1-CB 4.42Å; F87-C265 HydrophobicContact CE1-CB 4.19Å |
| 88 | C | 79 | Confident | 71 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.02 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -117.3 | 98.3 | -176.6 | -45.5 | 0 | 0 | 0 | 0 | 110 | G86 I93 C265 | G86-C88 PolarHBondContact O-N 3.4Å; C88-I93 HydrophobicContact CB-CD1 4.44Å; C88-C265 HydrophobicContact CB-CB 3.97Å; C88-C265 WeakPolarHBondContact CB-SG 3.42Å; C88-C265 WeakPolarHBondContact SG-CB 3.45Å; C88-C265 CovalentContact SG-SG 2.02Å; C88-C265 PolarHBondContact SG-SG 2.91Å |
| 89 | P | 60.3 | Low | 71.3 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 16% | 0.156 | 32% | 0.323 | C | S | . | . | trans | -63.2 | 145.9 | -178.2 | -18.7 | 29.2 | 0 | 0 | 0 | 113.2 | S91 | P89-S91 PolarHBondContact O-N 3.24Š| ||
| 90 | S | 51.7 | Low | 71.7 | Confident | 58 Ų | 58 | 58 Ų | 58 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 89.6 | 177.2 | -74.3 | 0 | 0 | 0 | 0 | 113.5 | P96 | S90-P96 WeakPolarHBondContact OG-CB 3.46Å; S90-P96 WeakPolarHBondContact OG-CD 3.35Å; S90-P96 WeakPolarHBondContact OG-CG 3.42Å |
| 91 | S | 47.7 | Very low | 71.9 | Confident | 94 Ų | 94 | 57.7 Ų | 57.7 | 66% | 0.657 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.4 | -23.6 | 160 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | P89 | P89-S91 PolarHBondContact O-N 3.24Š|
| 92 | L | 47.6 | Very low | 72 | Confident | 138 Ų | 138 | 58 Ų | 58 | 72% | 0.723 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -131.9 | 2.3 | -170.3 | -74.2 | 169.2 | 0 | 0 | 0 | 115.9 | ||
| 93 | I | 43.7 | Very low | 71.8 | Confident | 86 Ų | 86 | 59.4 Ų | 59.4 | 44% | 0.441 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -124.2 | 134.3 | 177.6 | -49.8 | 178.7 | 0 | 0 | 0 | 109 | C88 N95 | C88-I93 HydrophobicContact CB-CD1 4.44Å; I93-N95 WeakPolarHBondContact CG2-O 3.45Å; I93-N95 PolarHBondContact O-N 3.15Å; I93-N95 VanDerWaalsContact O-N 3.08Å |
| 94 | E | 41.1 | Very low | 71.5 | Confident | 196 Ų | 196 | 62 Ų | 62 | 92% | 0.916 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -63.8 | -12.6 | -177.4 | -66.3 | -171.8 | 135.6 | 0 | 0 | 114.3 | ||
| 95 | N | 46.7 | Very low | 71.2 | Confident | 122 Ų | 122 | 62.3 Ų | 62.3 | 65% | 0.652 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -134.6 | 130.2 | 169.4 | -65 | -83.9 | 0 | 0 | 0 | 109.6 | I93 | I93-N95 WeakPolarHBondContact CG2-O 3.45Å; I93-N95 PolarHBondContact O-N 3.15Å; I93-N95 VanDerWaalsContact O-N 3.08Å |
| 96 | P | 53.7 | Low | 71.1 | Confident | 58 Ų | 58 | 60.5 Ų | 60.5 | 38% | 0.377 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 140.5 | 165.9 | 8 | -14 | 0 | 0 | 0 | 112.1 | Y85 S90 T98 | Y85-P96 HydrophobicContact CD1-CB 4.17Å; Y85-P96 HydrophobicContact CE1-CB 4.29Å; S90-P96 WeakPolarHBondContact OG-CB 3.46Å; S90-P96 WeakPolarHBondContact OG-CD 3.35Å; S90-P96 WeakPolarHBondContact OG-CG 3.42Å; P96-T98 PolarHBondContact O-N 3.29Å |
| 97 | N | 72.8 | Confident | 71.2 | Confident | 51 Ų | 51 | 65 Ų | 65 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 123.4 | 156.8 | -68.1 | 13 | 0 | 0 | 0 | 107.8 | G86 E244 | G86-N97 PolarHBondContact N-O 3.33Å; N97-E244 HydrophobicContact CB-CG 4.14Å; N97-E244 WeakPolarHBondContact CB-OE1 3.35Å; N97-E244 PolarHBondContact ND2-OE1 2.83Å |
| 98 | T | 85.1 | Confident | 71.4 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 34% | 0.344 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.2 | -177 | -61 | 0 | 0 | 0 | 0 | 110 | R83 P96 Y100 | R83-T98 HydrophobicContact CB-CG2 4.16Å; R83-T98 HydrophobicContact CG-CG2 4.32Å; P96-T98 PolarHBondContact O-N 3.29Å; T98-Y100 HydrophobicContact CG2-CE1 4.23Å; T98-Y100 HydrophobicContact CG2-CE2 4.21Å; T98-Y100 WeakPolarHBondContact O-CE2 3.46Å |
| 99 | A | 90.7 | Very high | 72 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R83 Q84 W186 A242 E244 | R83-A99 CarbonylContact C-O 3.49Å; R83-A99 WeakPolarHBondContact CA-O 3.38Å; Q84-A99 HydrophobicContact CG-CB 3.96Å; Q84-A99 PolarHBondContact N-O 2.88Å; Q84-A99 PolarHBondContact NE2-O 2.8Å; Q84-A99 PolarHBondContact O-N 2.97Å; A99-W186 HydrophobicContact CB-CH2 3.41Å; A99-W186 VanDerWaalsContact CB-CH2 3.41Å; A99-W186 HydrophobicContact CB-CZ2 3.69Å; A99-A242 HydrophobicContact CB-CB 4.45Å; A99-E244 HydrophobicContact CB-CB 4.28Å |
| 100 | Y | 92.8 | Very high | 73.5 | Confident | 29 Ų | 29 | 67 Ų | 67 | 11% | 0.114 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.6 | -169.6 | -61.6 | -83.3 | 0 | 0 | 0 | 110.8 | I73 V81 T82 R83 T98 A242 I243 | I73-Y100 HydrophobicContact CD1-CD1 4.35Å; I73-Y100 HydrophobicContact CD1-CG 3.99Å; I73-Y100 HydrophobicContact CG1-CD1 3.96Å; I73-Y100 HydrophobicContact CG1-CG 4.08Å; I73-Y100 HydrophobicContact CG2-CD1 4.05Å; I73-Y100 HydrophobicContact CG2-CD2 3.82Å; I73-Y100 HydrophobicContact CG2-CE1 4.01Å; I73-Y100 HydrophobicContact CG2-CE2 3.79Å; I73-Y100 HydrophobicContact CG2-CG 3.97Å; V81-Y100 HydrophobicContact CG1-CD1 4.35Å; V81-Y100 HydrophobicContact CG2-CD1 3.79Å; V81-Y100 HydrophobicContact CG2-CG 4.22Å; T82-Y100 WeakPolarHBondContact O-CA 3.45Å; R83-Y100 HydrophobicContact CG-CD1 4.11Å; R83-Y100 HydrophobicContact CG-CE1 3.87Å; T98-Y100 HydrophobicContact CG2-CE1 4.23Å; T98-Y100 HydrophobicContact CG2-CE2 4.21Å; T98-Y100 WeakPolarHBondContact O-CE2 3.46Å; Y100-A242 CarbonylContact O-C 3.46Å; Y100-A242 WeakPolarHBondContact O-CA 3.13Å; Y100-I243 PolarHBondContact N-O 3.12Å; Y100-I243 PolarHBondContact O-N 3.23Å |
| 101 | S | 91.5 | Very high | 75.4 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 3% | 0.028 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 108.8 | 163.8 | -59.1 | 0 | 0 | 0 | 0 | 108.4 | V81 T82 Q84 H103 G241 | V81-S101 CarbonylContact C-O 3.58Å; V81-S101 WeakPolarHBondContact CA-O 3.47Å; V81-S101 WeakPolarHBondContact CG2-O 3.41Å; T82-S101 PolarHBondContact N-O 2.79Å; T82-S101 PolarHBondContact O-N 3.2Å; Q84-S101 PolarHBondContact NE2-OG 3.03Å; S101-H103 PolarHBondContact O-NE2 2.98Å; S101-G241 WeakPolarHBondContact CA-O 3.48Å; S101-G241 WeakPolarHBondContact CB-O 3.39Å; S101-G241 PolarHBondContact OG-O 2.87Å; S101-G241 VanDerWaalsContact OG-O 3.14Å |
| 102 | Y | 89.8 | Confident | 77.4 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 3% | 0.027 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 139.6 | 175 | -175 | -113 | 0 | 0 | 0 | 111 | L76 E80 R104 G105 L108 L230 Q231 A237 | L76-Y102 HydrophobicContact CD1-CD2 4.13Å; L76-Y102 HydrophobicContact CD1-CE2 3.86Å; E80-Y102 WeakPolarHBondContact O-CD2 3.34Å; Y102-R104 VanDerWaalsContact CE2-O 3.29Å; Y102-R104 WeakPolarHBondContact CE2-O 3.1Å; Y102-R104 VanDerWaalsContact CZ-C 3.43Å; Y102-G105 WeakPolarHBondContact OH-CA 3.08Å; Y102-G105 PolarHBondContact OH-N 2.69Å; Y102-G105 VanDerWaalsContact OH-N 3.11Å; Y102-G105 PolarHBondContact OH-O 2.74Å; Y102-G105 VanDerWaalsContact OH-O 3.11Å; Y102-L108 HydrophobicContact CD1-CD1 4.03Å; Y102-L108 HydrophobicContact CD2-CD1 3.4Å; Y102-L108 VanDerWaalsContact CD2-CD1 3.4Å; Y102-L108 HydrophobicContact CD2-CG 4.25Å; Y102-L108 HydrophobicContact CE1-CD1 4.07Å; Y102-L108 HydrophobicContact CE2-CD1 3.43Å; Y102-L108 VanDerWaalsContact CE2-CD1 3.43Å; Y102-L108 HydrophobicContact CE2-CG 3.83Å; Y102-L108 HydrophobicContact CG-CD1 3.68Å; Y102-L230 HydrophobicContact CD1-CB 4.01Å; Y102-L230 WeakPolarHBondContact CD1-O 3.39Å; Y102-L230 HydrophobicContact CG-CB 4.23Å; Y102-Q231 HydrophobicContact CE1-CB 3.91Å; Y102-Q231 PolarHBondContact OH-OE1 2.88Å; Y102-A237 HydrophobicContact CD1-CB 3.9Å; Y102-A237 HydrophobicContact CE1-CB 4.2Å |
| 103 | H | 85.2 | Confident | 79.3 | Confident | 88 Ų | 88 | 60 Ų | 60 | 41% | 0.407 | 30% | 0.3 | S | S | . | . | trans | -117.8 | -41.4 | -178.4 | -52.8 | -76 | 0 | 0 | 0 | 112.9 | E80 T82 S101 | E80-H103 PolarHBondContact O-N 2.85Å; T82-H103 PolarHBondContact OG1-NE2 2.96Å; S101-H103 PolarHBondContact O-NE2 2.98Å | ||
| 104 | R | 84.1 | Confident | 81.3 | Confident | 135 Ų | 135 | 62.6 Ų | 62.6 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -171.3 | 158.6 | -173.4 | 61.6 | -177.4 | -175.4 | 159.9 | 6.2 | 111.5 | Y79 E80 Y102 | Y79-R104 PolarHBondContact O-NE 3.25Å; E80-R104 WeakPolarHBondContact CA-O 3.29Å; E80-R104 VanDerWaalsContact CB-O 3.28Å; E80-R104 WeakPolarHBondContact CB-O 3.44Å; Y102-R104 VanDerWaalsContact CE2-O 3.29Å; Y102-R104 WeakPolarHBondContact CE2-O 3.1Å; Y102-R104 VanDerWaalsContact CZ-C 3.43Å |
| 105 | G | 78.4 | Confident | 83.4 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 25% | 0.247 | 27% | 0.266 | C | S | . | . | trans | 146 | -172.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y102 | Y102-G105 WeakPolarHBondContact OH-CA 3.08Å; Y102-G105 PolarHBondContact OH-N 2.69Å; Y102-G105 VanDerWaalsContact OH-N 3.11Å; Y102-G105 PolarHBondContact OH-O 2.74Å; Y102-G105 VanDerWaalsContact OH-O 3.11Å | ||
| 106 | D | 81.3 | Confident | 85.3 | Confident | 81 Ų | 81 | 48.3 Ų | 48.3 | 43% | 0.433 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -140.4 | 19.4 | 173.4 | -166.4 | 30.7 | 0 | 0 | 0 | 112.3 | K109 Q231 | D106-K109 WeakPolarHBondContact O-CE 3.22Å; D106-K109 WeakPolarHBondContact OD1-CE 3.32Å; D106-K109 IonicContact OD1-NZ 2.61Å; D106-K109 PolarHBondContact OD1-NZ 3.48Å; D106-K109 WeakPolarHBondContact OD2-CE 3.47Å; D106-K109 IonicContact OD2-NZ 3.3Å; D106-K109 PolarHBondContact OD2-NZ 2.99Å; D106-Q231 PolarHBondContact OD1-NE2 3.39Å |
| 107 | K | 84.9 | Confident | 86.1 | Confident | 93 Ų | 93 | 51 Ų | 51 | 40% | 0.404 | 26% | 0.255 | S | S | . | . | trans | -92.2 | -19.9 | -175.2 | -65.8 | 168.6 | -176.9 | 165.4 | 0 | 112.8 | L76 D77 E80 K109 | L76-K107 HydrophobicContact CD2-CB 3.7Å; L76-K107 HydrophobicContact CD2-CD 3.5Å; L76-K107 VanDerWaalsContact CD2-CD 3.5Å; L76-K107 HydrophobicContact CD2-CG 4.27Å; D77-K107 IonicContact OD2-NZ 3.5Å; D77-K107 PolarHBondContact OD2-NZ 2.81Å; E80-K107 WeakPolarHBondContact OE1-CD 3.41Å; E80-K107 WeakPolarHBondContact OE1-CE 3.26Å; E80-K107 IonicContact OE1-NZ 2.61Å; E80-K107 PolarHBondContact OE1-NZ 2.95Å; E80-K107 WeakPolarHBondContact OE2-CD 3.44Å; E80-K107 IonicContact OE2-NZ 3.88Å; E80-K107 PolarHBondContact OE2-NZ 3.11Å; K107-K109 PolarHBondContact O-N 2.77Å | ||
| 108 | L | 90.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -84.5 | 48.9 | -178.9 | -58.8 | -176.7 | 0 | 0 | 0 | 112.3 | V71 I73 L76 Y102 I229 L230 Q231 | V71-L108 HydrophobicContact CB-CD2 3.77Å; V71-L108 HydrophobicContact CG1-CD2 4.5Å; V71-L108 HydrophobicContact CG2-CD2 3.56Å; I73-L108 HydrophobicContact CB-CD2 4.35Å; I73-L108 HydrophobicContact CD1-CD1 4.25Å; I73-L108 HydrophobicContact CD1-CD2 4.29Å; I73-L108 HydrophobicContact CG1-CD2 4.16Å; L76-L108 HydrophobicContact CD1-CD1 4.27Å; L76-L108 HydrophobicContact CD1-CD2 3.58Å; L76-L108 HydrophobicContact CD1-CG 3.83Å; L76-L108 HydrophobicContact CG-CD2 4.24Å; Y102-L108 HydrophobicContact CD1-CD1 4.03Å; Y102-L108 HydrophobicContact CD2-CD1 3.4Å; Y102-L108 VanDerWaalsContact CD2-CD1 3.4Å; Y102-L108 HydrophobicContact CD2-CG 4.25Å; Y102-L108 HydrophobicContact CE1-CD1 4.07Å; Y102-L108 HydrophobicContact CE2-CD1 3.43Å; Y102-L108 VanDerWaalsContact CE2-CD1 3.43Å; Y102-L108 HydrophobicContact CE2-CG 3.83Å; Y102-L108 HydrophobicContact CG-CD1 3.68Å; L108-I229 WeakPolarHBondContact CB-O 3.27Å; L108-I229 WeakPolarHBondContact CD1-O 3.28Å; L108-I229 PolarHBondContact O-N 2.91Å; L108-L230 HydrophobicContact CD1-CB 3.9Å; L108-L230 HydrophobicContact CD1-CD1 4.08Å; L108-L230 HydrophobicContact CD1-CG 4.26Å; L108-Q231 HydrophobicContact CB-CG 4.09Å |
| 109 | K | 92.5 | Very high | 85.3 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 145.9 | 174.3 | 69.3 | -174.9 | 177.3 | -168 | 0 | 111.6 | D106 K107 M226 L227 Y228 | D106-K109 WeakPolarHBondContact O-CE 3.22Å; D106-K109 WeakPolarHBondContact OD1-CE 3.32Å; D106-K109 IonicContact OD1-NZ 2.61Å; D106-K109 PolarHBondContact OD1-NZ 3.48Å; D106-K109 WeakPolarHBondContact OD2-CE 3.47Å; D106-K109 IonicContact OD2-NZ 3.3Å; D106-K109 PolarHBondContact OD2-NZ 2.99Å; K107-K109 PolarHBondContact O-N 2.77Å; K109-M226 HydrophobicContact CB-CE 4.06Å; K109-M226 HydrophobicContact CD-CE 4.17Å; K109-M226 HydrophobicContact CG-CE 3.99Å; K109-L227 CarbonylContact C-O 3.43Å; K109-L227 WeakPolarHBondContact CA-O 3.36Å; K109-Y228 HydrophobicContact CB-CD1 3.76Å; K109-Y228 HydrophobicContact CB-CE1 4.09Å; K109-Y228 HydrophobicContact CB-CG 4.4Å; K109-Y228 HydrophobicContact CD-CD1 4.19Å; K109-Y228 HydrophobicContact CD-CE1 3.76Å |
| 110 | L | 91.9 | Very high | 85.1 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 154.5 | 175 | 60.6 | 162.6 | 0 | 0 | 0 | 111.3 | I70 V71 A112 K114 A115 L227 I229 | I70-L110 HydrophobicContact CD1-CD1 4.01Å; I70-L110 HydrophobicContact CG1-CD1 3.91Å; I70-L110 HydrophobicContact CG2-CD1 4.21Å; I70-L110 HydrophobicContact CG2-CD2 4.3Å; V71-L110 HydrophobicContact CG1-CD2 3.48Å; V71-L110 VanDerWaalsContact CG1-CD2 3.48Å; L110-A112 PolarHBondContact O-N 2.87Å; L110-K114 HydrophobicContact CD1-CB 4.01Å; L110-A115 HydrophobicContact CD1-CB 3.99Å; L110-A115 HydrophobicContact CG-CB 4.49Å; L110-L227 HydrophobicContact CD2-CB 4.43Å; L110-L227 HydrophobicContact CD2-CD2 3.88Å; L110-L227 HydrophobicContact CD2-CG 4.15Å; L110-L227 HydrophobicContact CG-CD2 4.37Å; L110-L227 PolarHBondContact N-O 2.95Å; L110-L227 PolarHBondContact O-N 3.44Å; L110-I229 HydrophobicContact CD2-CD1 4.01Å |
| 111 | P | 91.5 | Very high | 84.8 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 22% | 0.221 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 132.4 | 166.9 | -25.8 | 34.5 | 0 | 0 | 0 | 110.7 | E113 K114 G225 M226 | P111-E113 HydrophobicContact CB-CG 3.79Å; P111-E113 PolarHBondContact O-N 3.24Å; P111-K114 HydrophobicContact CB-CG 4.38Å; P111-K114 HydrophobicContact CG-CD 4.46Å; P111-K114 WeakPolarHBondContact O-CB 3.37Å; P111-K114 PolarHBondContact O-N 3.44Å; P111-G225 CarbonylContact C-O 3.5Å; P111-G225 WeakPolarHBondContact CA-O 3.14Å; P111-M226 HydrophobicContact CB-SD 4.36Å; P111-M226 HydrophobicContact CG-SD 4.09Å |
| 112 | A | 89.3 | Confident | 84.5 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.4 | -31 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L110 K114 A115 F116 V143 F222 G225 | L110-A112 PolarHBondContact O-N 2.87Å; A112-K114 PolarHBondContact O-N 3.48Å; A112-A115 PolarHBondContact O-N 3.49Å; A112-A115 VanDerWaalsContact O-N 3.15Å; A112-F116 HydrophobicContact CB-CD2 4.4Å; A112-F116 WeakPolarHBondContact O-CD2 3.47Å; A112-F116 PolarHBondContact O-N 3.38Å; A112-V143 HydrophobicContact CB-CG1 3.9Å; A112-F222 HydrophobicContact CB-CB 3.5Å; A112-F222 VanDerWaalsContact CB-CB 3.5Å; A112-F222 HydrophobicContact CB-CD2 4.31Å; A112-F222 HydrophobicContact CB-CG 4.12Å; A112-G225 PolarHBondContact N-O 2.75Å |
| 113 | E | 87 | Confident | 84.6 | Confident | 107 Ų | 107 | 61 Ų | 61 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.9 | -22.5 | 171.5 | 56.2 | 167.7 | -154.8 | 0 | 0 | 114.7 | P111 P117 | P111-E113 HydrophobicContact CB-CG 3.79Å; P111-E113 PolarHBondContact O-N 3.24Å; E113-P117 WeakPolarHBondContact O-CA 3.45Å |
| 114 | K | 86.6 | Confident | 85 | Confident | 141 Ų | 141 | 56.8 Ų | 56.8 | 61% | 0.613 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -81.7 | -32.5 | 172.7 | -68.1 | -171.3 | -173.3 | 177.8 | 0 | 112.2 | L110 P111 A112 | L110-K114 HydrophobicContact CD1-CB 4.01Å; P111-K114 HydrophobicContact CB-CG 4.38Å; P111-K114 HydrophobicContact CG-CD 4.46Å; P111-K114 WeakPolarHBondContact O-CB 3.37Å; P111-K114 PolarHBondContact O-N 3.44Å; A112-K114 PolarHBondContact O-N 3.48Å |
| 115 | A | 85 | Confident | 85.6 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -79 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I70 L110 A112 P117 L227 | I70-A115 HydrophobicContact CD1-CB 4.21Å; L110-A115 HydrophobicContact CD1-CB 3.99Å; L110-A115 HydrophobicContact CG-CB 4.49Å; A112-A115 PolarHBondContact O-N 3.49Å; A112-A115 VanDerWaalsContact O-N 3.15Å; A115-P117 VanDerWaalsContact O-CD 3.27Å; A115-P117 WeakPolarHBondContact O-CD 3.27Å; A115-L227 HydrophobicContact CB-CD2 3.64Å |
| 116 | F | 86.8 | Confident | 86.4 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 7% | 0.066 | 27% | 0.268 | C | S | . | . | trans | -123.3 | 67.6 | -174.5 | -47.6 | -67.9 | 0 | 0 | 0 | 109.9 | I65 L67 A112 A118 F120 V143 F222 L227 I248 | I65-F116 HydrophobicContact CD1-CD1 3.47Å; I65-F116 VanDerWaalsContact CD1-CD1 3.47Å; I65-F116 HydrophobicContact CD1-CE1 3.67Å; I65-F116 HydrophobicContact CG2-CE1 4.49Å; L67-F116 HydrophobicContact CD2-CZ 4.49Å; A112-F116 HydrophobicContact CB-CD2 4.4Å; A112-F116 WeakPolarHBondContact O-CD2 3.47Å; A112-F116 PolarHBondContact O-N 3.38Å; F116-A118 PolarHBondContact O-N 2.82Å; F116-F120 AromaticContact CD1-CD2 3.64Å; F116-F120 HydrophobicContact CD1-CD2 3.64Å; F116-F120 AromaticContact CD1-CE2 3.8Å; F116-F120 HydrophobicContact CD1-CE2 3.8Å; F116-F120 HydrophobicContact CE1-CD2 4.04Å; F116-F120 AromaticContact CE1-CE2 3.69Å; F116-F120 HydrophobicContact CE1-CE2 3.69Å; F116-F120 HydrophobicContact CG-CD2 4.06Å; F116-F120 HydrophobicContact CZ-CE2 4.31Å; F116-V143 HydrophobicContact CE2-CG1 4.42Å; F116-V143 HydrophobicContact CE2-CG2 3.81Å; F116-V143 HydrophobicContact CZ-CG2 4.31Å; F116-F222 HydrophobicContact CB-CD2 4.04Å; F116-F222 HydrophobicContact CB-CE2 4Å; F116-F222 HydrophobicContact CD1-CE2 4.43Å; F116-F222 AromaticContact CD2-CD2 3.54Å; F116-F222 HydrophobicContact CD2-CD2 3.54Å; F116-F222 AromaticContact CD2-CE2 3.42Å; F116-F222 HydrophobicContact CD2-CE2 3.42Å; F116-F222 VanDerWaalsContact CD2-CE2 3.42Å; F116-F222 HydrophobicContact CD2-CZ 4.4Å; F116-F222 HydrophobicContact CE2-CD2 4.35Å; F116-F222 HydrophobicContact CE2-CE2 4Å; F116-F222 HydrophobicContact CG-CD2 4.01Å; F116-F222 AromaticContact CG-CE2 3.68Å; F116-F222 HydrophobicContact CG-CE2 3.68Å; F116-L227 HydrophobicContact CE2-CD2 4.2Å; F116-L227 HydrophobicContact CZ-CD2 4.37Å; F116-I248 HydrophobicContact CE1-CD1 3.93Å; F116-I248 HydrophobicContact CZ-CD1 3.91Å | ||
| 117 | P | 70.3 | Confident | 87.2 | Confident | 114 Ų | 114 | 45.3 Ų | 45.3 | 74% | 0.74 | 25% | 0.247 | S | C | * | . | trans | -73.2 | -7.9 | -177 | 31.3 | -37.6 | 0 | 0 | 0 | 113.9 | E113 A115 | E113-P117 WeakPolarHBondContact O-CA 3.45Å; A115-P117 VanDerWaalsContact O-CD 3.27Å; A115-P117 WeakPolarHBondContact O-CD 3.27Å | ||
| 118 | A | 68.6 | Low | 87.6 | Confident | 73 Ų | 73 | 40.9 Ų | 40.9 | 60% | 0.603 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -113 | 162.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110 | F116 F120 | F116-A118 PolarHBondContact O-N 2.82Å; A118-F120 PolarHBondContact O-N 2.95Å |
| 119 | T | 72.7 | Confident | 87.9 | Confident | 126 Ų | 126 | 40.9 Ų | 40.9 | 77% | 0.773 | 23% | 0.227 | S | C | * | . | P | Polyproline II helix | trans | -53.6 | 122.8 | 171.9 | 38.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 120 | F | 86 | Confident | 87.9 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 133.8 | -177.7 | -167.4 | -91.7 | 0 | 0 | 0 | 110.9 | F116 A118 F124 L152 L220 F222 I248 | F116-F120 AromaticContact CD1-CD2 3.64Å; F116-F120 HydrophobicContact CD1-CD2 3.64Å; F116-F120 AromaticContact CD1-CE2 3.8Å; F116-F120 HydrophobicContact CD1-CE2 3.8Å; F116-F120 HydrophobicContact CE1-CD2 4.04Å; F116-F120 AromaticContact CE1-CE2 3.69Å; F116-F120 HydrophobicContact CE1-CE2 3.69Å; F116-F120 HydrophobicContact CG-CD2 4.06Å; F116-F120 HydrophobicContact CZ-CE2 4.31Å; A118-F120 PolarHBondContact O-N 2.95Å; F120-F124 AromaticContact CE1-CD1 3.83Å; F120-F124 HydrophobicContact CE1-CD1 3.83Å; F120-F124 HydrophobicContact CE1-CD2 4.06Å; F120-F124 AromaticContact CE1-CE1 3.73Å; F120-F124 HydrophobicContact CE1-CE1 3.73Å; F120-F124 AromaticContact CE1-CE2 3.94Å; F120-F124 HydrophobicContact CE1-CE2 3.94Å; F120-F124 HydrophobicContact CE1-CG 4.01Å; F120-F124 AromaticContact CE1-CZ 3.79Å; F120-F124 HydrophobicContact CE1-CZ 3.79Å; F120-F124 HydrophobicContact CZ-CD1 4.49Å; F120-F124 AromaticContact CZ-CD2 3.91Å; F120-F124 HydrophobicContact CZ-CD2 3.91Å; F120-F124 HydrophobicContact CZ-CE1 4.46Å; F120-F124 AromaticContact CZ-CE2 3.84Å; F120-F124 HydrophobicContact CZ-CE2 3.84Å; F120-F124 HydrophobicContact CZ-CG 4.25Å; F120-F124 HydrophobicContact CZ-CZ 4.14Å; F120-L152 HydrophobicContact CE1-CD2 4.08Å; F120-L152 HydrophobicContact CE2-CD2 4.12Å; F120-L152 HydrophobicContact CZ-CD2 3.54Å; F120-L220 HydrophobicContact CB-CB 4.37Å; F120-L220 HydrophobicContact CD1-CB 4.22Å; F120-L220 HydrophobicContact CD1-CD1 3.81Å; F120-L220 HydrophobicContact CD1-CG 4.46Å; F120-L220 HydrophobicContact CE1-CD1 3.84Å; F120-L220 HydrophobicContact CG-CB 4.48Å; F120-F222 HydrophobicContact CB-CE2 3.91Å; F120-F222 HydrophobicContact CB-CZ 4.23Å; F120-F222 HydrophobicContact CD1-CZ 4.44Å; F120-F222 AromaticContact CD2-CE2 3.56Å; F120-F222 HydrophobicContact CD2-CE2 3.56Å; F120-F222 AromaticContact CD2-CZ 3.76Å; F120-F222 HydrophobicContact CD2-CZ 3.76Å; F120-F222 HydrophobicContact CE2-CE2 4.29Å; F120-F222 HydrophobicContact CE2-CZ 4.2Å; F120-F222 AromaticContact CG-CE2 3.86Å; F120-F222 HydrophobicContact CG-CE2 3.86Å; F120-F222 AromaticContact CG-CZ 3.88Å; F120-F222 HydrophobicContact CG-CZ 3.88Å; F120-I248 HydrophobicContact CE2-CG2 4.1Å; F120-I248 HydrophobicContact CZ-CG2 4.09Å |
| 121 | P | 86.6 | Confident | 87.9 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 25% | 0.253 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -64.1 | 140.9 | -176.8 | 25.8 | -35.5 | 0 | 0 | 0 | 111.8 | F124 P250 | P121-F124 HydrophobicContact CB-CB 4.46Å; P121-F124 HydrophobicContact CG-CB 3.95Å; P121-P250 HydrophobicContact CB-CB 4.18Å; P121-P250 HydrophobicContact CG-CB 3.96Å |
| 122 | Q | 86 | Confident | 87.9 | Confident | 64 Ų | 64 | 37.2 Ų | 37.2 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -65.8 | -45.5 | 174 | -172.6 | 175.3 | 14.7 | 0 | 0 | 111.1 | R214 L216 | Q122-R214 PolarHBondContact O-NH1 3.45Å; Q122-R214 PolarHBondContact O-NH2 2.97Å; Q122-L216 VanDerWaalsContact NE2-C 3.32Å; Q122-L216 PolarHBondContact NE2-O 3.49Å |
| 123 | D | 91 | Very high | 87.7 | Confident | 48 Ų | 48 | 40.7 Ų | 40.7 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -113.8 | 120.8 | -176.6 | -91.1 | 19.2 | 0 | 0 | 0 | 109.2 | I193 K194 G195 R214 P250 P252 | D123-I193 WeakPolarHBondContact CA-O 3.24Å; D123-K194 WeakPolarHBondContact OD2-CA 3.41Å; D123-K194 WeakPolarHBondContact OD2-CG 3.19Å; D123-G195 VanDerWaalsContact CG-N 3.33Å; D123-G195 PolarHBondContact OD1-N 3.06Å; D123-G195 PolarHBondContact OD2-N 2.92Å; D123-G195 VanDerWaalsContact OD2-N 3.13Å; D123-R214 IonicContact OD1-NH2 2.71Å; D123-R214 PolarHBondContact OD1-NH2 3.27Å; D123-P250 CarbonylContact O-C 3.42Å; D123-P252 HydrophobicContact CB-CG 3.71Å |
| 124 | F | 94.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 175.3 | -164.7 | 68.4 | -79.3 | 0 | 0 | 0 | 111.5 | F120 P121 I126 L152 Y164 I193 I248 I249 T251 | F120-F124 AromaticContact CE1-CD1 3.83Å; F120-F124 HydrophobicContact CE1-CD1 3.83Å; F120-F124 HydrophobicContact CE1-CD2 4.06Å; F120-F124 AromaticContact CE1-CE1 3.73Å; F120-F124 HydrophobicContact CE1-CE1 3.73Å; F120-F124 AromaticContact CE1-CE2 3.94Å; F120-F124 HydrophobicContact CE1-CE2 3.94Å; F120-F124 HydrophobicContact CE1-CG 4.01Å; F120-F124 AromaticContact CE1-CZ 3.79Å; F120-F124 HydrophobicContact CE1-CZ 3.79Å; F120-F124 HydrophobicContact CZ-CD1 4.49Å; F120-F124 AromaticContact CZ-CD2 3.91Å; F120-F124 HydrophobicContact CZ-CD2 3.91Å; F120-F124 HydrophobicContact CZ-CE1 4.46Å; F120-F124 AromaticContact CZ-CE2 3.84Å; F120-F124 HydrophobicContact CZ-CE2 3.84Å; F120-F124 HydrophobicContact CZ-CG 4.25Å; F120-F124 HydrophobicContact CZ-CZ 4.14Å; P121-F124 HydrophobicContact CB-CB 4.46Å; P121-F124 HydrophobicContact CG-CB 3.95Å; F124-I126 HydrophobicContact CD2-CG1 4.18Å; F124-I126 HydrophobicContact CE2-CD1 3.99Å; F124-I126 HydrophobicContact CE2-CG1 3.82Å; F124-L152 HydrophobicContact CE2-CD2 4.33Å; F124-L152 HydrophobicContact CZ-CD1 4.15Å; F124-L152 HydrophobicContact CZ-CD2 4.41Å; F124-Y164 HydrophobicContact CE1-CE2 4.22Å; F124-Y164 HydrophobicContact CZ-CE2 4.42Å; F124-I193 HydrophobicContact CD1-CB 4Å; F124-I193 HydrophobicContact CD1-CG2 4.15Å; F124-I193 HydrophobicContact CD2-CD1 3.92Å; F124-I193 HydrophobicContact CE1-CB 3.83Å; F124-I193 HydrophobicContact CE1-CD1 4.48Å; F124-I193 HydrophobicContact CE1-CG1 4.11Å; F124-I193 HydrophobicContact CE1-CG2 3.69Å; F124-I193 HydrophobicContact CE2-CD1 3.68Å; F124-I193 HydrophobicContact CE2-CG1 4.12Å; F124-I193 HydrophobicContact CG-CB 4.4Å; F124-I193 HydrophobicContact CG-CD1 4.44Å; F124-I193 HydrophobicContact CZ-CB 4.14Å; F124-I193 HydrophobicContact CZ-CD1 3.97Å; F124-I193 HydrophobicContact CZ-CG1 3.87Å; F124-I193 HydrophobicContact CZ-CG2 4.23Å; F124-I193 PolarHBondContact N-O 2.74Å; F124-I193 WeakPolarHBondContact O-CA 3.31Å; F124-I193 WeakPolarHBondContact O-CB 3.49Å; F124-I193 PolarHBondContact O-N 3.07Å; F124-I193 VanDerWaalsContact O-O 3.12Å; F124-I248 HydrophobicContact CD2-CG2 4.31Å; F124-I249 CarbonylContact C-O 3.53Å; F124-I249 VanDerWaalsContact CA-O 3.28Å; F124-I249 WeakPolarHBondContact CA-O 3.27Å; F124-I249 VanDerWaalsContact CB-O 3.31Å; F124-I249 WeakPolarHBondContact CB-O 3.4Å; F124-T251 CarbonylContact C-O 3.5Å |
| 125 | S | 95.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 151.4 | 169.5 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | L127 L191 I248 I249 T251 A255 | S125-L127 WeakPolarHBondContact OG-CD1 3.11Å; S125-L191 CarbonylContact C-O 3.5Å; S125-L191 WeakPolarHBondContact CA-O 3.4Å; S125-L191 WeakPolarHBondContact CB-O 3.24Å; S125-I248 WeakPolarHBondContact O-CA 3.48Å; S125-I249 PolarHBondContact N-O 3.44Å; S125-I249 PolarHBondContact O-N 3.25Å; S125-T251 WeakPolarHBondContact CB-O 3.4Å; S125-T251 PolarHBondContact N-O 3.46Å; S125-T251 VanDerWaalsContact N-O 3.16Å; S125-T251 PolarHBondContact OG-O 3.03Å; S125-A255 PolarHBondContact OG-N 3.3Å |
| 126 | I | 97 | Very high | 86 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.2 | 175.4 | -52.9 | 167.1 | 0 | 0 | 0 | 107 | F124 F141 M154 L162 A190 L191 I193 L247 I248 | F124-I126 HydrophobicContact CD2-CG1 4.18Å; F124-I126 HydrophobicContact CE2-CD1 3.99Å; F124-I126 HydrophobicContact CE2-CG1 3.82Å; I126-F141 HydrophobicContact CD1-CE1 4.33Å; I126-F141 HydrophobicContact CD1-CZ 4.03Å; I126-F141 HydrophobicContact CG2-CE1 4.03Å; I126-M154 HydrophobicContact CB-SD 4.37Å; I126-M154 HydrophobicContact CG2-SD 3.69Å; I126-L162 HydrophobicContact CD1-CD1 3.72Å; I126-A190 CarbonylContact O-C 3.55Å; I126-A190 VanDerWaalsContact O-CA 3.31Å; I126-A190 WeakPolarHBondContact O-CA 3.25Å; I126-L191 HydrophobicContact CB-CB 4.45Å; I126-L191 HydrophobicContact CD1-CD1 4.41Å; I126-L191 PolarHBondContact N-O 3.42Å; I126-L191 PolarHBondContact O-N 2.85Å; I126-I193 HydrophobicContact CD1-CD1 4.32Å; I126-I193 HydrophobicContact CG1-CD1 4.18Å; I126-L247 WeakPolarHBondContact CA-O 3.39Å; I126-I248 HydrophobicContact CG1-CG1 4.48Å |
| 127 | L | 96.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135.7 | -175.5 | -71 | 60.6 | 0 | 0 | 0 | 108.8 | S125 A190 L246 L247 I249 G254 A255 Q258 Y262 | S125-L127 WeakPolarHBondContact OG-CD1 3.11Å; L127-A190 HydrophobicContact CD1-CB 4.42Å; L127-A190 HydrophobicContact CG-CB 3.97Å; L127-L246 CarbonylContact O-C 3.51Å; L127-L246 WeakPolarHBondContact O-CA 3.47Å; L127-L247 HydrophobicContact CB-CB 4.39Å; L127-L247 PolarHBondContact N-O 3.24Å; L127-L247 PolarHBondContact O-N 2.84Å; L127-I249 HydrophobicContact CD1-CD1 3.78Å; L127-I249 HydrophobicContact CD1-CG1 4.3Å; L127-I249 HydrophobicContact CD2-CD1 3.45Å; L127-I249 VanDerWaalsContact CD2-CD1 3.45Å; L127-I249 HydrophobicContact CG-CD1 4.21Å; L127-G254 VanDerWaalsContact CD2-O 3.23Å; L127-G254 WeakPolarHBondContact CD2-O 3.25Å; L127-A255 HydrophobicContact CD1-CB 4.38Å; L127-Q258 HydrophobicContact CD2-CB 4.09Å; L127-Q258 HydrophobicContact CG-CB 4.43Å; L127-Y262 HydrophobicContact CD2-CD2 3.45Å; L127-Y262 VanDerWaalsContact CD2-CD2 3.45Å; L127-Y262 HydrophobicContact CD2-CE2 4.11Å; L127-Y262 HydrophobicContact CD2-CG 3.88Å |
| 128 | T | 95.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 146.2 | 177.2 | -171.7 | 0 | 0 | 0 | 0 | 112.9 | I140 M154 I189 I243 Q245 | T128-I140 HydrophobicContact CG2-CD1 4.03Å; T128-M154 HydrophobicContact CG2-CE 4.2Å; T128-I189 HydrophobicContact CG2-CB 3.96Å; T128-I189 PolarHBondContact N-O 3.13Å; T128-I189 PolarHBondContact O-N 2.71Å; T128-I189 VanDerWaalsContact O-O 3.13Å; T128-I243 WeakPolarHBondContact OG1-CD1 3.47Å; T128-Q245 WeakPolarHBondContact CA-O 3.43Å; T128-Q245 WeakPolarHBondContact CB-O 3.46Å; T128-Q245 PolarHBondContact OG1-O 2.91Å |
| 129 | T | 94.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 113.5 | 176.7 | -60.5 | 0 | 0 | 0 | 0 | 108 | F87 W186 H187 R188 E244 Q245 Q258 S263 | F87-T129 HydrophobicContact CB-CG2 3.91Å; F87-T129 HydrophobicContact CG-CG2 4.39Å; T129-W186 HydrophobicContact CG2-CE3 3.97Å; T129-W186 HydrophobicContact CG2-CZ3 4.34Å; T129-H187 WeakPolarHBondContact CA-O 3.45Å; T129-R188 HydrophobicContact CG2-CG 4.07Å; T129-E244 HydrophobicContact CG2-CB 4.24Å; T129-E244 PolarHBondContact O-N 3.02Å; T129-Q245 PolarHBondContact N-O 3.28Å; T129-Q258 PolarHBondContact OG1-NE2 3.18Å; T129-Q258 VanDerWaalsContact OG1-NE2 3.16Å; T129-S263 PolarHBondContact OG1-OG 3.4Å; T129-S263 VanDerWaalsContact OG1-OG 3.06Å |
| 130 | V | 93.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 151 | -168.2 | -73.1 | 0 | 0 | 0 | 0 | 113 | L132 I140 H187 I189 F239 A242 I243 | V130-L132 HydrophobicContact CB-CD2 4.46Å; V130-L132 HydrophobicContact CG2-CD2 4.4Å; V130-I140 HydrophobicContact CG1-CD1 4.28Å; V130-H187 PolarHBondContact N-O 3.04Å; V130-H187 PolarHBondContact O-N 3.48Å; V130-I189 HydrophobicContact CG2-CD1 3.54Å; V130-I189 HydrophobicContact CG2-CG1 4.3Å; V130-F239 HydrophobicContact CB-CE2 4.47Å; V130-F239 HydrophobicContact CB-CZ 4.22Å; V130-F239 HydrophobicContact CG1-CE2 4.04Å; V130-F239 HydrophobicContact CG1-CZ 3.84Å; V130-A242 CarbonylContact C-O 3.58Å; V130-A242 VanDerWaalsContact CA-O 3.31Å; V130-A242 WeakPolarHBondContact CA-O 3.41Å; V130-I243 HydrophobicContact CG1-CB 4.01Å; V130-I243 HydrophobicContact CG1-CD1 3.94Å; V130-I243 HydrophobicContact CG1-CG1 3.67Å |
| 131 | R | 92.9 | Very high | 89 | Confident | 42 Ų | 42 | 38.5 Ų | 38.5 | 16% | 0.158 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 106.4 | 167.5 | 174.2 | 169.6 | 76.6 | 157.4 | -0.2 | 108.2 | L184 R185 W186 G241 A242 | R131-L184 VanDerWaalsContact CD-O 3.24Å; R131-L184 WeakPolarHBondContact CD-O 3.41Å; R131-L184 WeakPolarHBondContact CG-O 3.42Å; R131-R185 WeakPolarHBondContact CA-O 3.41Å; R131-W186 HydrophobicContact CB-CD2 3.83Å; R131-W186 HydrophobicContact CB-CE3 3.8Å; R131-W186 HydrophobicContact CB-CG 4.41Å; R131-W186 HydrophobicContact CB-CH2 4.15Å; R131-W186 HydrophobicContact CB-CZ2 4.21Å; R131-W186 HydrophobicContact CB-CZ3 3.97Å; R131-G241 CarbonylContact O-C 3.59Å; R131-G241 WeakPolarHBondContact O-CA 3.35Å; R131-A242 HydrophobicContact CB-CB 4.31Å; R131-A242 PolarHBondContact N-O 3.42Å; R131-A242 PolarHBondContact O-N 3.09Å |
| 132 | L | 89.8 | Confident | 89.4 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 147.5 | -176.3 | -57.4 | -170.4 | 0 | 0 | 0 | 111.7 | V130 V156 L181 L184 F239 | V130-L132 HydrophobicContact CB-CD2 4.46Å; V130-L132 HydrophobicContact CG2-CD2 4.4Å; L132-V156 HydrophobicContact CD2-CG2 3.8Å; L132-L181 HydrophobicContact CD1-CB 3.51Å; L132-L181 HydrophobicContact CD1-CD1 4.32Å; L132-L181 HydrophobicContact CG-CB 4.24Å; L132-L184 WeakPolarHBondContact O-CD2 3.38Å; L132-F239 HydrophobicContact CD2-CE2 3.59Å; L132-F239 HydrophobicContact CD2-CZ 4.18Å |
| 133 | K | 85.4 | Confident | 89.7 | Confident | 73 Ų | 73 | 34.3 Ų | 34.3 | 32% | 0.317 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -105.6 | -20.6 | 168.3 | -74.4 | 177.2 | -179.6 | -176.4 | 0 | 113.5 | N182 S240 Y281 | K133-N182 VanDerWaalsContact C-OD1 3.28Å; K133-S240 PolarHBondContact N-O 3.12Å; K133-Y281 PolarHBondContact NZ-OH 3.38Å |
| 134 | H | 76.3 | Confident | 89.7 | Confident | 104 Ų | 104 | 32.6 Ų | 32.6 | 48% | 0.481 | 15% | 0.151 | S | C | . | . | trans | -135.9 | 140.8 | -173.1 | -69.9 | 99.9 | 0 | 0 | 0 | 112.2 | Q136 Q138 N182 S240 | H134-Q136 VanDerWaalsContact C-N 3.31Å; H134-Q136 PolarHBondContact O-N 3.5Å; H134-Q138 PolarHBondContact O-NE2 2.97Å; H134-Q138 VanDerWaalsContact O-NE2 3.08Å; H134-N182 VanDerWaalsContact C-OD1 3.25Å; H134-N182 WeakPolarHBondContact CA-OD1 3.38Å; H134-N182 PolarHBondContact N-OD1 2.84Å; H134-N182 VanDerWaalsContact N-OD1 3.09Å; H134-S240 PolarHBondContact CE1-OG 3.17Å; H134-S240 VanDerWaalsContact ND1-CB 3.35Å; H134-S240 WeakPolarHBondContact ND1-CB 3.43Å; H134-S240 PolarHBondContact ND1-OG 3.15Å | ||
| 135 | E | 69 | Low | 89.4 | Confident | 113 Ų | 113 | 33.2 Ų | 33.2 | 53% | 0.528 | 15% | 0.154 | S | C | . | . | trans | -69.4 | -20.5 | -179.5 | -68.7 | -165 | -166.7 | 0 | 0 | 115.2 | N158 N182 | E135-N158 WeakPolarHBondContact CB-OD1 3Å; E135-N158 WeakPolarHBondContact CG-OD1 3.46Å; E135-N158 PolarHBondContact O-N 2.83Å; E135-N158 PolarHBondContact OE2-ND2 2.87Å; E135-N182 HydrophobicContact CG-CB 3.92Å; E135-N182 WeakPolarHBondContact CG-ND2 3.42Å | ||
| 136 | Q | 77.8 | Confident | 88.9 | Confident | 154 Ų | 154 | 38.3 Ų | 38.3 | 72% | 0.72 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -65.9 | 150.6 | -174.7 | -67.5 | -167.3 | -3.2 | 0 | 0 | 112.2 | H134 Q138 | H134-Q136 VanDerWaalsContact C-N 3.31Å; H134-Q136 PolarHBondContact O-N 3.5Å; Q136-Q138 WeakPolarHBondContact O-CG 3.48Å; Q136-Q138 PolarHBondContact O-N 3.48Å; Q136-Q138 PolarHBondContact O-NE2 3.17Å |
| 137 | I | 79.8 | Confident | 88.3 | Confident | 85 Ų | 85 | 44.1 Ų | 44.1 | 44% | 0.436 | 21% | 0.209 | S | C | . | . | trans | -73.1 | 119.5 | 177.8 | -59.5 | 173.7 | 0 | 0 | 0 | 108.9 | S155 V156 N159 | I137-S155 VanDerWaalsContact CG2-CB 3.48Å; I137-V156 CarbonylContact C-O 3.46Å; I137-V156 WeakPolarHBondContact CA-O 3.11Å; I137-N159 HydrophobicContact CD1-CB 3.93Å; I137-N159 HydrophobicContact CG1-CB 4.31Å | ||
| 138 | Q | 87.7 | Confident | 87.7 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.5 | -166 | -81 | 165 | 99.7 | 0 | 0 | 109.5 | H134 Q136 I140 S155 V156 S238 | H134-Q138 PolarHBondContact O-NE2 2.97Å; H134-Q138 VanDerWaalsContact O-NE2 3.08Å; Q136-Q138 WeakPolarHBondContact O-CG 3.48Å; Q136-Q138 PolarHBondContact O-N 3.48Å; Q136-Q138 PolarHBondContact O-NE2 3.17Å; Q138-I140 PolarHBondContact O-N 3.45Å; Q138-S155 CarbonylContact O-C 3.11Å; Q138-S155 WeakPolarHBondContact O-CA 3.47Å; Q138-V156 PolarHBondContact N-O 3.48Å; Q138-V156 PolarHBondContact O-N 3.41Å; Q138-S238 CarbonylContact C-O 3.52Å; Q138-S238 WeakPolarHBondContact CA-O 3.5Å; Q138-S238 WeakPolarHBondContact CB-O 3.3Å |
| 139 | K | 91.6 | Very high | 87.2 | Confident | 60 Ų | 60 | 51.7 Ų | 51.7 | 26% | 0.261 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 120.3 | 178.7 | -73.4 | -167.9 | 179.5 | -167.3 | 0 | 109.5 | D142 S150 A153 M154 S238 | K139-D142 HydrophobicContact CD-CB 4.06Å; K139-D142 WeakPolarHBondContact CD-OD2 3.31Å; K139-D142 VanDerWaalsContact NZ-CG 3.27Å; K139-D142 IonicContact NZ-OD1 2.69Å; K139-D142 IonicContact NZ-OD2 2.82Å; K139-D142 PolarHBondContact NZ-OD2 2.98Å; K139-S150 PolarHBondContact NZ-OG 2.9Å; K139-A153 HydrophobicContact CD-CB 4.38Å; K139-M154 WeakPolarHBondContact CA-O 3.43Å; K139-S238 PolarHBondContact N-O 2.99Å; K139-S238 CarbonylContact O-C 3.58Å; K139-S238 WeakPolarHBondContact O-CB 3.46Å; K139-S238 PolarHBondContact O-OG 2.83Å |
| 140 | I | 93.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -40.1 | 170.2 | -52 | -176.4 | 0 | 0 | 0 | 109.5 | T128 V130 Q138 M154 V156 I229 L230 F239 I243 L246 | T128-I140 HydrophobicContact CG2-CD1 4.03Å; V130-I140 HydrophobicContact CG1-CD1 4.28Å; Q138-I140 PolarHBondContact O-N 3.45Å; I140-M154 PolarHBondContact N-O 2.81Å; I140-V156 HydrophobicContact CD1-CB 4.32Å; I140-V156 HydrophobicContact CD1-CG1 3.64Å; I140-V156 HydrophobicContact CD1-CG2 3.71Å; I140-V156 HydrophobicContact CG1-CG1 4.23Å; I140-V156 HydrophobicContact CG1-CG2 3.71Å; I140-I229 CarbonylContact O-C 3.59Å; I140-L230 HydrophobicContact CG2-CD2 3.77Å; I140-L230 PolarHBondContact O-N 3.43Å; I140-F239 HydrophobicContact CG1-CD2 4.08Å; I140-F239 HydrophobicContact CG1-CE2 4.44Å; I140-I243 HydrophobicContact CG2-CD1 3.59Å; I140-L246 HydrophobicContact CG2-CD1 4.03Å; I140-L246 HydrophobicContact CG2-CD2 3.66Å; I140-L246 HydrophobicContact CG2-CG 4.45Å |
| 141 | F | 95.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 159.3 | 171.8 | 77.2 | -89.9 | 0 | 0 | 0 | 111.9 | L67 I126 V143 L152 A153 M154 L227 Y228 I229 L246 I248 | L67-F141 HydrophobicContact CD1-CB 4.38Å; L67-F141 HydrophobicContact CD1-CD1 4.22Å; L67-F141 HydrophobicContact CD1-CD2 4.41Å; L67-F141 HydrophobicContact CD1-CG 4.08Å; I126-F141 HydrophobicContact CD1-CE1 4.33Å; I126-F141 HydrophobicContact CD1-CZ 4.03Å; I126-F141 HydrophobicContact CG2-CE1 4.03Å; F141-V143 HydrophobicContact CD2-CG2 4.15Å; F141-V143 HydrophobicContact CE2-CG2 4.15Å; F141-L152 HydrophobicContact CE2-CD2 4.31Å; F141-L152 HydrophobicContact CE2-CG 4.05Å; F141-L152 HydrophobicContact CZ-CD2 4.48Å; F141-L152 HydrophobicContact CZ-CG 4.29Å; F141-A153 WeakPolarHBondContact O-CA 3.39Å; F141-A153 VanDerWaalsContact O-CB 3.31Å; F141-A153 WeakPolarHBondContact O-CB 3.38Å; F141-M154 HydrophobicContact CD1-CB 4Å; F141-M154 HydrophobicContact CE1-CB 3.46Å; F141-M154 VanDerWaalsContact CE1-CB 3.46Å; F141-M154 HydrophobicContact CZ-CB 4.09Å; F141-M154 PolarHBondContact O-N 3.39Å; F141-L227 HydrophobicContact CB-CD1 4.1Å; F141-L227 HydrophobicContact CD2-CD1 3.98Å; F141-L227 HydrophobicContact CG-CD1 4.45Å; F141-Y228 CarbonylContact C-O 3.52Å; F141-Y228 WeakPolarHBondContact CA-O 3.39Å; F141-Y228 WeakPolarHBondContact CB-O 3.46Å; F141-I229 HydrophobicContact CB-CG2 4.33Å; F141-L246 HydrophobicContact CB-CD2 4.46Å; F141-L246 HydrophobicContact CD1-CD1 4.37Å; F141-L246 HydrophobicContact CD1-CD2 4.3Å; F141-I248 HydrophobicContact CZ-CD1 4.38Å |
| 142 | D | 94.2 | Very high | 86.7 | Confident | 16 Ų | 16 | 50.9 Ų | 50.9 | 9% | 0.086 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 114.4 | 178 | -159.5 | -5 | 0 | 0 | 0 | 109.7 | K139 I144 S150 A153 L227 Y228 | K139-D142 HydrophobicContact CD-CB 4.06Å; K139-D142 WeakPolarHBondContact CD-OD2 3.31Å; K139-D142 VanDerWaalsContact NZ-CG 3.27Å; K139-D142 IonicContact NZ-OD1 2.69Å; K139-D142 IonicContact NZ-OD2 2.82Å; K139-D142 PolarHBondContact NZ-OD2 2.98Å; D142-I144 HydrophobicContact CB-CG1 4.43Å; D142-S150 VanDerWaalsContact OD1-CB 3.31Å; D142-S150 WeakPolarHBondContact OD1-CB 3.43Å; D142-S150 PolarHBondContact OD1-OG 2.9Å; D142-S150 PolarHBondContact OD2-OG 2.78Å; D142-A153 HydrophobicContact CB-CB 4.27Å; D142-L227 WeakPolarHBondContact O-CA 3.45Å; D142-Y228 PolarHBondContact N-O 3.29Å; D142-Y228 PolarHBondContact O-N 3.48Å |
| 143 | V | 93.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 109.5 | 170.2 | -170.6 | 0 | 0 | 0 | 0 | 108 | A112 F116 F141 Q151 L152 F222 L227 | A112-V143 HydrophobicContact CB-CG1 3.9Å; F116-V143 HydrophobicContact CE2-CG1 4.42Å; F116-V143 HydrophobicContact CE2-CG2 3.81Å; F116-V143 HydrophobicContact CZ-CG2 4.31Å; F141-V143 HydrophobicContact CD2-CG2 4.15Å; F141-V143 HydrophobicContact CE2-CG2 4.15Å; V143-Q151 PolarHBondContact O-N 3.46Å; V143-L152 HydrophobicContact CB-CB 4.32Å; V143-L152 WeakPolarHBondContact CB-O 3.42Å; V143-L152 HydrophobicContact CG2-CB 4.41Å; V143-L152 PolarHBondContact N-O 2.84Å; V143-L152 PolarHBondContact O-N 3.15Å; V143-F222 HydrophobicContact CB-CD1 4.25Å; V143-F222 HydrophobicContact CB-CE1 4.17Å; V143-F222 HydrophobicContact CG1-CB 4.06Å; V143-F222 HydrophobicContact CG1-CD1 3.32Å; V143-F222 HydrophobicContact CG1-CD2 4.14Å; V143-F222 HydrophobicContact CG1-CE1 3.67Å; V143-F222 HydrophobicContact CG1-CE2 4.43Å; V143-F222 HydrophobicContact CG1-CG 3.57Å; V143-F222 HydrophobicContact CG1-CZ 4.22Å; V143-L227 HydrophobicContact CG2-CB 4.44Å; V143-L227 HydrophobicContact CG2-CD1 3.73Å |
| 144 | I | 90.4 | Very high | 87.3 | Confident | 11 Ų | 11 | 47.3 Ų | 47.3 | 6% | 0.056 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 143.6 | -179.2 | -55.7 | -172.5 | 0 | 0 | 0 | 108.7 | D142 G148 E149 G225 M226 Y228 K233 | D142-I144 HydrophobicContact CB-CG1 4.43Å; I144-G148 VanDerWaalsContact CG2-CA 3.42Å; I144-G148 WeakPolarHBondContact CG2-O 3.45Å; I144-E149 CarbonylContact C-O 3.46Å; I144-E149 VanDerWaalsContact CA-O 3.32Å; I144-E149 WeakPolarHBondContact CA-O 3.36Å; I144-G225 CarbonylContact O-C 3.55Å; I144-G225 VanDerWaalsContact O-C 3.29Å; I144-G225 WeakPolarHBondContact O-CA 3.44Å; I144-M226 PolarHBondContact N-O 2.69Å; I144-M226 PolarHBondContact O-N 2.69Å; I144-Y228 HydrophobicContact CB-CE2 4.44Å; I144-Y228 HydrophobicContact CD1-CD2 3.92Å; I144-Y228 HydrophobicContact CD1-CE2 3.8Å; I144-Y228 HydrophobicContact CG1-CD2 4.21Å; I144-Y228 HydrophobicContact CG1-CE2 4.25Å; I144-K233 HydrophobicContact CD1-CB 4.3Å |
| 145 | D | 87.5 | Confident | 88.1 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.07 | 22% | 0.22 | C | C | . | . | trans | -85.1 | -173 | 178.8 | 69.6 | 9.8 | 0 | 0 | 0 | 114.7 | N147 G148 E149 Q151 | D145-N147 PolarHBondContact O-N 2.85Å; D145-N147 WeakPolarHBondContact OD1-CA 3.45Å; D145-N147 VanDerWaalsContact OD1-CB 3.31Å; D145-N147 WeakPolarHBondContact OD1-CB 3.49Å; D145-N147 PolarHBondContact OD1-N 2.9Å; D145-N147 PolarHBondContact OD2-ND2 3.22Å; D145-N147 VanDerWaalsContact OD2-ND2 3.15Å; D145-G148 PolarHBondContact O-N 3.13Å; D145-G148 PolarHBondContact OD1-N 3.03Å; D145-E149 PolarHBondContact N-O 3.43Å; D145-E149 PolarHBondContact OD1-N 2.93Å; D145-Q151 HydrophobicContact CB-CG 3.76Å; D145-Q151 PolarHBondContact OD2-NE2 2.82Å | ||
| 146 | E | 85.8 | Confident | 89.2 | Confident | 108 Ų | 108 | 37.1 Ų | 37.1 | 51% | 0.505 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.7 | 175.5 | -65.2 | -172.7 | -134 | 0 | 0 | 113.7 | G223 K224 | E146-G223 WeakPolarHBondContact OE1-CA 3.19Å; E146-K224 HydrophobicContact CG-CB 3.81Å; E146-K224 HydrophobicContact CG-CG 4.49Å; E146-K224 PolarHBondContact OE1-N 2.98Å; E146-K224 IonicContact OE1-NZ 2.82Å; E146-K224 IonicContact OE2-NZ 2.69Å; E146-K224 PolarHBondContact OE2-NZ 3.42Å |
| 147 | N | 84.4 | Confident | 89.7 | Confident | 121 Ų | 121 | 29.8 Ų | 29.8 | 65% | 0.647 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -14.1 | -179.8 | -50.8 | -59 | 0 | 0 | 0 | 112.8 | D145 E149 | D145-N147 PolarHBondContact O-N 2.85Å; D145-N147 WeakPolarHBondContact OD1-CA 3.45Å; D145-N147 VanDerWaalsContact OD1-CB 3.31Å; D145-N147 WeakPolarHBondContact OD1-CB 3.49Å; D145-N147 PolarHBondContact OD1-N 2.9Å; D145-N147 PolarHBondContact OD2-ND2 3.22Å; D145-N147 VanDerWaalsContact OD2-ND2 3.15Å; N147-E149 HydrophobicContact CB-CG 4.31Å |
| 148 | G | 83.9 | Confident | 89.9 | Confident | 45 Ų | 45 | 28.6 Ų | 28.6 | 46% | 0.464 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 92.4 | 12.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I144 D145 | I144-G148 VanDerWaalsContact CG2-CA 3.42Å; I144-G148 WeakPolarHBondContact CG2-O 3.45Å; D145-G148 PolarHBondContact O-N 3.13Å; D145-G148 PolarHBondContact OD1-N 3.03Å |
| 149 | E | 84.9 | Confident | 89.9 | Confident | 114 Ų | 114 | 29.1 Ų | 29.1 | 53% | 0.533 | 16% | 0.158 | S | C | . | . | trans | -94.4 | 132 | 177.4 | -57.2 | -166.9 | 136.6 | 0 | 0 | 111.2 | I144 D145 N147 Q151 | I144-E149 CarbonylContact C-O 3.46Å; I144-E149 VanDerWaalsContact CA-O 3.32Å; I144-E149 WeakPolarHBondContact CA-O 3.36Å; D145-E149 PolarHBondContact N-O 3.43Å; D145-E149 PolarHBondContact OD1-N 2.93Å; N147-E149 HydrophobicContact CB-CG 4.31Å; E149-Q151 PolarHBondContact O-N 3.43Å | ||
| 150 | S | 88.4 | Confident | 90 | Very high | 23 Ų | 23 | 26.3 Ų | 26.3 | 16% | 0.161 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 126 | 169.9 | -68 | 0 | 0 | 0 | 0 | 109.7 | K139 D142 Y165 | K139-S150 PolarHBondContact NZ-OG 2.9Å; D142-S150 VanDerWaalsContact OD1-CB 3.31Å; D142-S150 WeakPolarHBondContact OD1-CB 3.43Å; D142-S150 PolarHBondContact OD1-OG 2.9Å; D142-S150 PolarHBondContact OD2-OG 2.78Å; S150-Y165 WeakPolarHBondContact O-CB 3.39Å; S150-Y165 WeakPolarHBondContact O-CD2 3.47Å; S150-Y165 VanDerWaalsContact O-CG 3.28Å |
| 151 | Q | 89.1 | Confident | 89.9 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -39 | 171.4 | -64.8 | -69.6 | -42.4 | 0 | 0 | 111.1 | V143 D145 E149 Y165 L220 F222 | V143-Q151 PolarHBondContact O-N 3.46Å; D145-Q151 HydrophobicContact CB-CG 3.76Å; D145-Q151 PolarHBondContact OD2-NE2 2.82Å; E149-Q151 PolarHBondContact O-N 3.43Å; Q151-Y165 PolarHBondContact O-N 2.84Å; Q151-Y165 PolarHBondContact OE1-O 3.26Å; Q151-L220 HydrophobicContact CB-CD2 4.42Å; Q151-F222 HydrophobicContact CB-CD1 3.87Å; Q151-F222 HydrophobicContact CB-CE1 3.99Å; Q151-F222 HydrophobicContact CG-CD1 4.39Å |
| 152 | L | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 121.9 | 178.4 | -178.2 | 68.3 | 0 | 0 | 0 | 111.3 | F120 F124 F141 V143 L162 H163 Y164 L220 F222 | F120-L152 HydrophobicContact CE1-CD2 4.08Å; F120-L152 HydrophobicContact CE2-CD2 4.12Å; F120-L152 HydrophobicContact CZ-CD2 3.54Å; F124-L152 HydrophobicContact CE2-CD2 4.33Å; F124-L152 HydrophobicContact CZ-CD1 4.15Å; F124-L152 HydrophobicContact CZ-CD2 4.41Å; F141-L152 HydrophobicContact CE2-CD2 4.31Å; F141-L152 HydrophobicContact CE2-CG 4.05Å; F141-L152 HydrophobicContact CZ-CD2 4.48Å; F141-L152 HydrophobicContact CZ-CG 4.29Å; V143-L152 HydrophobicContact CB-CB 4.32Å; V143-L152 WeakPolarHBondContact CB-O 3.42Å; V143-L152 HydrophobicContact CG2-CB 4.41Å; V143-L152 PolarHBondContact N-O 2.84Å; V143-L152 PolarHBondContact O-N 3.15Å; L152-L162 HydrophobicContact CD1-CD1 3.99Å; L152-H163 WeakPolarHBondContact CA-O 3.31Å; L152-Y164 HydrophobicContact CD1-CD2 4.03Å; L152-L220 HydrophobicContact CB-CD1 3.98Å; L152-L220 HydrophobicContact CD1-CD1 4.21Å; L152-L220 HydrophobicContact CD2-CD1 4.02Å; L152-L220 HydrophobicContact CG-CD1 4.3Å; L152-F222 HydrophobicContact CB-CE1 4.21Å; L152-F222 HydrophobicContact CD2-CZ 4.5Å |
| 153 | A | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 153.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | K139 F141 D142 H163 | K139-A153 HydrophobicContact CD-CB 4.38Å; F141-A153 WeakPolarHBondContact O-CA 3.39Å; F141-A153 VanDerWaalsContact O-CB 3.31Å; F141-A153 WeakPolarHBondContact O-CB 3.38Å; D142-A153 HydrophobicContact CB-CB 4.27Å; A153-H163 HydrophobicContact CB-CB 4.08Å; A153-H163 PolarHBondContact N-O 3.16Å; A153-H163 PolarHBondContact O-N 3.25Å |
| 154 | M | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 130.8 | 171.4 | -175.1 | 176.1 | 171.8 | 0 | 0 | 110.7 | I126 T128 K139 I140 F141 V156 I160 A161 I189 L191 | I126-M154 HydrophobicContact CB-SD 4.37Å; I126-M154 HydrophobicContact CG2-SD 3.69Å; T128-M154 HydrophobicContact CG2-CE 4.2Å; K139-M154 WeakPolarHBondContact CA-O 3.43Å; I140-M154 PolarHBondContact N-O 2.81Å; F141-M154 HydrophobicContact CD1-CB 4Å; F141-M154 HydrophobicContact CE1-CB 3.46Å; F141-M154 VanDerWaalsContact CE1-CB 3.46Å; F141-M154 HydrophobicContact CZ-CB 4.09Å; F141-M154 PolarHBondContact O-N 3.39Å; M154-V156 HydrophobicContact CE-CG1 4.01Å; M154-I160 HydrophobicContact CE-CG2 3.9Å; M154-A161 WeakPolarHBondContact CA-O 3.31Å; M154-I189 HydrophobicContact CE-CG2 3.76Å; M154-L191 HydrophobicContact CE-CD1 3.99Å; M154-L191 HydrophobicContact CE-CG 4.22Å; M154-L191 HydrophobicContact CG-CD1 4.27Å; M154-L191 HydrophobicContact SD-CD1 3.84Å; M154-L191 HydrophobicContact SD-CG 4.47Å |
| 155 | S | 93.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 145 | 176.1 | -41.2 | 0 | 0 | 0 | 0 | 111.7 | I137 Q138 I160 A161 H163 | I137-S155 VanDerWaalsContact CG2-CB 3.48Å; Q138-S155 CarbonylContact O-C 3.11Å; Q138-S155 WeakPolarHBondContact O-CA 3.47Å; S155-I160 CarbonylContact O-C 3.41Å; S155-I160 WeakPolarHBondContact O-CA 3.46Å; S155-A161 PolarHBondContact N-O 2.87Å; S155-A161 PolarHBondContact O-N 2.72Å; S155-H163 WeakPolarHBondContact CB-NE2 3.33Å; S155-H163 PolarHBondContact OG-NE2 3.14Å |
| 156 | V | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 160.3 | 177.6 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | L132 I137 Q138 I140 M154 N159 I160 L181 I189 F239 | L132-V156 HydrophobicContact CD2-CG2 3.8Å; I137-V156 CarbonylContact C-O 3.46Å; I137-V156 WeakPolarHBondContact CA-O 3.11Å; Q138-V156 PolarHBondContact N-O 3.48Å; Q138-V156 PolarHBondContact O-N 3.41Å; I140-V156 HydrophobicContact CD1-CB 4.32Å; I140-V156 HydrophobicContact CD1-CG1 3.64Å; I140-V156 HydrophobicContact CD1-CG2 3.71Å; I140-V156 HydrophobicContact CG1-CG1 4.23Å; I140-V156 HydrophobicContact CG1-CG2 3.71Å; M154-V156 HydrophobicContact CE-CG1 4.01Å; V156-N159 CarbonylContact C-O 3.48Å; V156-I160 HydrophobicContact CG1-CG1 4.43Å; V156-L181 HydrophobicContact CB-CD1 4.47Å; V156-I189 HydrophobicContact CG1-CD1 4.1Å; V156-F239 HydrophobicContact CG2-CD2 4.17Å; V156-F239 HydrophobicContact CG2-CE2 4.05Å |
| 157 | G | 87.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 158.2 | -147.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 108 | N159 | G157-N159 PolarHBondContact N-O 2.87Å; G157-N159 PolarHBondContact O-N 2.94Å; G157-N159 VanDerWaalsContact O-N 3.15Å |
| 158 | N | 83.9 | Confident | 86.7 | Confident | 60 Ų | 60 | 26.4 Ų | 26.4 | 32% | 0.321 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -62.5 | -15.2 | 167.6 | -72.4 | -1.3 | 0 | 0 | 0 | 113.7 | E135 N178 V179 | E135-N158 WeakPolarHBondContact CB-OD1 3Å; E135-N158 WeakPolarHBondContact CG-OD1 3.46Å; E135-N158 PolarHBondContact O-N 2.83Å; E135-N158 PolarHBondContact OE2-ND2 2.87Å; N158-N178 PolarHBondContact O-N 2.74Å; N158-V179 CarbonylContact C-O 3.59Å; N158-V179 PolarHBondContact O-N 2.97Å |
| 159 | N | 88 | Confident | 85.3 | Confident | 34 Ų | 34 | 32.3 Ų | 32.3 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -129.1 | 149.9 | 170.3 | -60.3 | -27.3 | 0 | 0 | 0 | 108.8 | I137 V156 G157 F176 L177 N178 | I137-N159 HydrophobicContact CD1-CB 3.93Å; I137-N159 HydrophobicContact CG1-CB 4.31Å; V156-N159 CarbonylContact C-O 3.48Å; G157-N159 PolarHBondContact N-O 2.87Å; G157-N159 PolarHBondContact O-N 2.94Å; G157-N159 VanDerWaalsContact O-N 3.15Å; N159-F176 CarbonylContact C-O 3.3Å; N159-F176 VanDerWaalsContact CA-O 3.26Å; N159-F176 WeakPolarHBondContact CA-O 3.13Å; N159-F176 WeakPolarHBondContact CB-O 3.44Å; N159-L177 HydrophobicContact CB-CD2 4.32Å; N159-L177 WeakPolarHBondContact ND2-CD2 3.49Å; N159-L177 VanDerWaalsContact OD1-CA 3.29Å; N159-L177 WeakPolarHBondContact OD1-CA 3.46Å; N159-N178 PolarHBondContact OD1-N 2.8Å |
| 160 | I | 92 | Very high | 84 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.7 | 168.1 | -58 | 167.1 | 0 | 0 | 0 | 107.9 | M154 S155 V156 E175 F176 V179 L181 I189 L200 I202 | M154-I160 HydrophobicContact CE-CG2 3.9Å; S155-I160 CarbonylContact O-C 3.41Å; S155-I160 WeakPolarHBondContact O-CA 3.46Å; V156-I160 HydrophobicContact CG1-CG1 4.43Å; I160-E175 CarbonylContact O-C 2.84Å; I160-F176 HydrophobicContact CB-CB 4.35Å; I160-F176 HydrophobicContact CB-CD2 4.47Å; I160-F176 PolarHBondContact N-O 3.29Å; I160-F176 PolarHBondContact O-N 2.83Å; I160-V179 HydrophobicContact CD1-CB 4.47Å; I160-V179 HydrophobicContact CD1-CG1 4Å; I160-V179 HydrophobicContact CD1-CG2 4.28Å; I160-V179 HydrophobicContact CG1-CB 4.45Å; I160-V179 HydrophobicContact CG1-CG1 4.44Å; I160-V179 HydrophobicContact CG1-CG2 4.29Å; I160-L181 HydrophobicContact CD1-CD1 3.97Å; I160-L181 HydrophobicContact CG1-CD1 3.8Å; I160-I189 HydrophobicContact CD1-CD1 4.48Å; I160-I189 HydrophobicContact CD1-CG2 3.77Å; I160-L200 HydrophobicContact CD1-CD1 3.53Å; I160-L200 HydrophobicContact CD1-CD2 3.96Å; I160-L200 HydrophobicContact CD1-CG 4.4Å; I160-I202 HydrophobicContact CD1-CD1 3.79Å; I160-I202 HydrophobicContact CD1-CG1 4.45Å |
| 161 | A | 92.9 | Very high | 82.8 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | M154 S155 H163 I173 E175 | M154-A161 WeakPolarHBondContact CA-O 3.31Å; S155-A161 PolarHBondContact N-O 2.87Å; S155-A161 PolarHBondContact O-N 2.72Å; A161-H163 WeakPolarHBondContact CB-NE2 3.28Å; A161-I173 HydrophobicContact CB-CG2 4.45Å; A161-E175 HydrophobicContact CB-CG 4.14Å |
| 162 | L | 94.5 | Very high | 82.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 121.2 | 161.9 | 179.4 | 66.4 | 0 | 0 | 0 | 108.1 | I126 L152 I173 V174 L191 I193 V198 | I126-L162 HydrophobicContact CD1-CD1 3.72Å; L152-L162 HydrophobicContact CD1-CD1 3.99Å; L162-I173 CarbonylContact O-C 3.3Å; L162-I173 WeakPolarHBondContact O-CA 3.31Å; L162-V174 HydrophobicContact CB-CB 4.44Å; L162-V174 PolarHBondContact N-O 3.4Å; L162-V174 PolarHBondContact O-N 3.29Å; L162-L191 HydrophobicContact CB-CD1 4.09Å; L162-L191 HydrophobicContact CD1-CD1 4.24Å; L162-I193 HydrophobicContact CD2-CG1 3.92Å; L162-V198 HydrophobicContact CD2-CG1 3.95Å; L162-V198 HydrophobicContact CD2-CG2 3.7Å |
| 163 | H | 92.2 | Very high | 82 | Confident | 32 Ų | 32 | 35.3 Ų | 35.3 | 15% | 0.148 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 120 | 171.3 | -52.2 | -98.6 | 0 | 0 | 0 | 108.3 | L152 A153 S155 A161 Y165 | L152-H163 WeakPolarHBondContact CA-O 3.31Å; A153-H163 HydrophobicContact CB-CB 4.08Å; A153-H163 PolarHBondContact N-O 3.16Å; A153-H163 PolarHBondContact O-N 3.25Å; S155-H163 WeakPolarHBondContact CB-NE2 3.33Å; S155-H163 PolarHBondContact OG-NE2 3.14Å; A161-H163 WeakPolarHBondContact CB-NE2 3.28Å; H163-Y165 HydrophobicContact CB-CD2 4.45Å; H163-Y165 HydrophobicContact CB-CE2 3.75Å |
| 164 | Y | 91.2 | Very high | 81.8 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 121.1 | 177.8 | -170.1 | -76.4 | 0 | 0 | 0 | 108.2 | F124 L152 L166 S172 L212 R214 L220 | F124-Y164 HydrophobicContact CE1-CE2 4.22Å; F124-Y164 HydrophobicContact CZ-CE2 4.42Å; L152-Y164 HydrophobicContact CD1-CD2 4.03Å; Y164-L166 HydrophobicContact CE1-CD1 4.35Å; Y164-L166 HydrophobicContact CE1-CD2 4.14Å; Y164-L166 HydrophobicContact CE1-CG 3.95Å; Y164-S172 PolarHBondContact N-O 2.88Å; Y164-S172 VanDerWaalsContact N-O 3.16Å; Y164-S172 CarbonylContact O-C 3.29Å; Y164-S172 PolarHBondContact O-N 2.84Å; Y164-L212 HydrophobicContact CD2-CD2 4.41Å; Y164-L212 HydrophobicContact CG-CD1 4.17Å; Y164-R214 HydrophobicContact CD1-CB 4.03Å; Y164-R214 HydrophobicContact CE1-CB 3.61Å; Y164-R214 HydrophobicContact CE1-CG 4.31Å; Y164-R214 WeakPolarHBondContact OH-CD 3.39Å; Y164-R214 PolarHBondContact OH-NH1 3.35Å; Y164-R214 VanDerWaalsContact OH-NH1 3.11Å; Y164-L220 HydrophobicContact CD1-CD2 4.44Å; Y164-L220 HydrophobicContact CD2-CD1 4.11Å; Y164-L220 HydrophobicContact CD2-CD2 4.5Å; Y164-L220 HydrophobicContact CE1-CD2 4.04Å; Y164-L220 HydrophobicContact CE1-CG 4.44Å; Y164-L220 HydrophobicContact CE2-CD1 3.61Å; Y164-L220 HydrophobicContact CE2-CD2 4.12Å; Y164-L220 HydrophobicContact CE2-CG 3.87Å |
| 165 | Y | 87.2 | Confident | 81.6 | Confident | 63 Ų | 63 | 39.6 Ų | 39.6 | 25% | 0.247 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 144.3 | 178.2 | -55.3 | -101.2 | 0 | 0 | 0 | 108.9 | S150 Q151 H163 S171 L220 | S150-Y165 WeakPolarHBondContact O-CB 3.39Å; S150-Y165 WeakPolarHBondContact O-CD2 3.47Å; S150-Y165 VanDerWaalsContact O-CG 3.28Å; Q151-Y165 PolarHBondContact O-N 2.84Å; Q151-Y165 PolarHBondContact OE1-O 3.26Å; H163-Y165 HydrophobicContact CB-CD2 4.45Å; H163-Y165 HydrophobicContact CB-CE2 3.75Å; Y165-S171 VanDerWaalsContact CE1-CB 3.42Å; Y165-L220 WeakPolarHBondContact O-CD2 3.34Å |
| 166 | L | 76.5 | Confident | 81.5 | Confident | 16 Ų | 16 | 39.6 Ų | 39.6 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.6 | 165.5 | -70 | 166.5 | 0 | 0 | 0 | 107.9 | Y164 G168 S170 R214 S215 E218 L220 | Y164-L166 HydrophobicContact CE1-CD1 4.35Å; Y164-L166 HydrophobicContact CE1-CD2 4.14Å; Y164-L166 HydrophobicContact CE1-CG 3.95Å; L166-G168 PolarHBondContact O-N 2.67Å; L166-S170 PolarHBondContact N-O 2.82Å; L166-R214 HydrophobicContact CD1-CB 4.35Å; L166-S215 VanDerWaalsContact CD1-CB 3.46Å; L166-E218 HydrophobicContact CD2-CB 4.45Å; L166-L220 HydrophobicContact CD2-CD2 4.23Å |
| 167 | S | 61 | Low | 81.2 | Confident | 81 Ų | 81 | 44.2 Ų | 44.2 | 57% | 0.566 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 105.8 | 171.5 | -168.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 168 | G | 60.6 | Low | 80.7 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 77% | 0.773 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 159.3 | -100.4 | -162.6 | 0 | 0 | 0 | 0 | 0 | 112 | L166 | L166-G168 PolarHBondContact O-N 2.67Š|
| 169 | D | 55.2 | Low | 80.5 | Confident | 170 Ų | 170 | 49.3 Ų | 49.3 | 91% | 0.909 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -160.1 | 28.1 | -178.5 | -147.3 | -0.6 | 0 | 0 | 0 | 113.4 | ||
| 170 | S | 57.2 | Low | 80.2 | Confident | 35 Ų | 35 | 53.7 Ų | 53.7 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 89.6 | -177.9 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | L166 | L166-S170 PolarHBondContact N-O 2.82Å |
| 171 | S | 63.1 | Low | 79.8 | Confident | 83 Ų | 83 | 53.7 Ų | 53.7 | 58% | 0.58 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 121.8 | 164.2 | 58.9 | 0 | 0 | 0 | 0 | 110.8 | Y165 | Y165-S171 VanDerWaalsContact CE1-CB 3.42Å |
| 172 | S | 75.9 | Confident | 79.3 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 7% | 0.07 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 93.8 | 172.1 | -173.5 | 0 | 0 | 0 | 0 | 111 | Y164 N213 | Y164-S172 PolarHBondContact N-O 2.88Å; Y164-S172 VanDerWaalsContact N-O 3.16Å; Y164-S172 CarbonylContact O-C 3.29Å; Y164-S172 PolarHBondContact O-N 2.84Å; S172-N213 WeakPolarHBondContact CB-O 3.44Å; S172-N213 PolarHBondContact OG-N 2.82Å |
| 173 | I | 87.8 | Confident | 78.8 | Confident | 75 Ų | 75 | 58.6 Ų | 58.6 | 39% | 0.385 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 124 | 167.2 | -50.2 | 176.3 | 0 | 0 | 0 | 108.1 | A161 L162 E175 | A161-I173 HydrophobicContact CB-CG2 4.45Å; L162-I173 CarbonylContact O-C 3.3Å; L162-I173 WeakPolarHBondContact O-CA 3.31Å; I173-E175 HydrophobicContact CG2-CG 3.82Å |
| 174 | V | 90.2 | Very high | 78.4 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.036 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 97.3 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | L162 F176 V198 K210 L212 | L162-V174 HydrophobicContact CB-CB 4.44Å; L162-V174 PolarHBondContact N-O 3.4Å; L162-V174 PolarHBondContact O-N 3.29Å; V174-F176 HydrophobicContact CG1-CE2 3.89Å; V174-F176 HydrophobicContact CG1-CZ 3.81Å; V174-V198 HydrophobicContact CG1-CB 4.38Å; V174-K210 HydrophobicContact CG1-CB 3.58Å; V174-K210 HydrophobicContact CG1-CD 4.09Å; V174-K210 HydrophobicContact CG1-CG 4.42Å; V174-L212 HydrophobicContact CG2-CB 4.24Å; V174-L212 HydrophobicContact CG2-CD1 3.63Å |
| 175 | E | 90.7 | Very high | 78.2 | Confident | 83 Ų | 83 | 68.1 Ų | 68.1 | 39% | 0.388 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 134.6 | 179 | -57.1 | -172.8 | 163.1 | 0 | 0 | 111.9 | I160 A161 I173 L177 K210 | I160-E175 CarbonylContact O-C 2.84Å; A161-E175 HydrophobicContact CB-CG 4.14Å; I173-E175 HydrophobicContact CG2-CG 3.82Å; E175-L177 HydrophobicContact CB-CD2 4.14Å; E175-K210 WeakPolarHBondContact O-CD 3.45Å; E175-K210 WeakPolarHBondContact O-CE 3.44Å; E175-K210 PolarHBondContact O-NZ 2.87Å |
| 176 | F | 91.2 | Very high | 78.4 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 1% | 0.013 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 114.4 | 170.3 | -58.2 | -86.6 | 0 | 0 | 0 | 107.9 | N159 I160 V174 V179 L191 V198 L200 T208 K210 | N159-F176 CarbonylContact C-O 3.3Å; N159-F176 VanDerWaalsContact CA-O 3.26Å; N159-F176 WeakPolarHBondContact CA-O 3.13Å; N159-F176 WeakPolarHBondContact CB-O 3.44Å; I160-F176 HydrophobicContact CB-CB 4.35Å; I160-F176 HydrophobicContact CB-CD2 4.47Å; I160-F176 PolarHBondContact N-O 3.29Å; I160-F176 PolarHBondContact O-N 2.83Å; V174-F176 HydrophobicContact CG1-CE2 3.89Å; V174-F176 HydrophobicContact CG1-CZ 3.81Å; F176-V179 HydrophobicContact CB-CG2 4.2Å; F176-L191 HydrophobicContact CD2-CD2 4.48Å; F176-L191 HydrophobicContact CE2-CD2 3.94Å; F176-V198 HydrophobicContact CE2-CG1 4.04Å; F176-V198 HydrophobicContact CZ-CB 4.34Å; F176-V198 HydrophobicContact CZ-CG1 3.83Å; F176-L200 HydrophobicContact CB-CD2 3.59Å; F176-L200 HydrophobicContact CD1-CB 3.8Å; F176-L200 HydrophobicContact CD1-CD2 3.77Å; F176-L200 HydrophobicContact CD1-CG 4.45Å; F176-L200 HydrophobicContact CD2-CB 4.38Å; F176-L200 HydrophobicContact CD2-CD2 4.23Å; F176-L200 HydrophobicContact CE1-CB 3.7Å; F176-L200 HydrophobicContact CE2-CB 4.3Å; F176-L200 HydrophobicContact CG-CB 4.15Å; F176-L200 HydrophobicContact CG-CD2 3.6Å; F176-L200 HydrophobicContact CG-CG 4.45Å; F176-L200 HydrophobicContact CZ-CB 3.97Å; F176-T208 HydrophobicContact CD1-CG2 3.48Å; F176-T208 VanDerWaalsContact CD1-CG2 3.48Å; F176-T208 HydrophobicContact CE1-CG2 3.74Å; F176-K210 HydrophobicContact CD1-CD 3.98Å; F176-K210 HydrophobicContact CD1-CG 4.28Å; F176-K210 HydrophobicContact CE1-CB 4.08Å; F176-K210 HydrophobicContact CE1-CD 3.86Å; F176-K210 HydrophobicContact CE1-CG 3.75Å; F176-K210 HydrophobicContact CZ-CB 4.29Å; F176-K210 HydrophobicContact CZ-CD 4.48Å; F176-K210 HydrophobicContact CZ-CG 4.42Å |
| 177 | L | 86.6 | Confident | 79.1 | Confident | 97 Ų | 97 | 65.3 Ų | 65.3 | 51% | 0.508 | 36% | 0.362 | S | S | . | . | trans | -96.4 | 152.3 | -168.5 | -56 | 178.3 | 0 | 0 | 0 | 112.2 | N159 E175 V179 | N159-L177 HydrophobicContact CB-CD2 4.32Å; N159-L177 WeakPolarHBondContact ND2-CD2 3.49Å; N159-L177 VanDerWaalsContact OD1-CA 3.29Å; N159-L177 WeakPolarHBondContact OD1-CA 3.46Å; E175-L177 HydrophobicContact CB-CD2 4.14Å; L177-V179 PolarHBondContact O-N 2.93Å | ||
| 178 | N | 77.3 | Confident | 80.7 | Confident | 150 Ų | 150 | 62.2 Ų | 62.2 | 80% | 0.802 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 60.2 | 39.5 | 175.6 | -56.9 | -32 | 0 | 0 | 0 | 113.9 | N158 N159 K180 | N158-N178 PolarHBondContact O-N 2.74Å; N159-N178 PolarHBondContact OD1-N 2.8Å; N178-K180 PolarHBondContact O-N 2.83Å |
| 179 | V | 79.8 | Confident | 82.4 | Confident | 17 Ų | 17 | 58.6 Ų | 58.6 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | trans | -87.9 | 105.7 | 175.7 | -165.5 | 0 | 0 | 0 | 0 | 108.6 | N158 I160 F176 L177 L181 L200 I202 | N158-V179 CarbonylContact C-O 3.59Å; N158-V179 PolarHBondContact O-N 2.97Å; I160-V179 HydrophobicContact CD1-CB 4.47Å; I160-V179 HydrophobicContact CD1-CG1 4Å; I160-V179 HydrophobicContact CD1-CG2 4.28Å; I160-V179 HydrophobicContact CG1-CB 4.45Å; I160-V179 HydrophobicContact CG1-CG1 4.44Å; I160-V179 HydrophobicContact CG1-CG2 4.29Å; F176-V179 HydrophobicContact CB-CG2 4.2Å; L177-V179 PolarHBondContact O-N 2.93Å; V179-L181 HydrophobicContact CB-CG 4.45Å; V179-L181 HydrophobicContact CG1-CD1 4.17Å; V179-L181 HydrophobicContact CG1-CD2 4.13Å; V179-L181 HydrophobicContact CG1-CG 3.76Å; V179-L181 PolarHBondContact O-N 3.19Å; V179-L200 HydrophobicContact CG2-CD2 4.35Å; V179-I202 HydrophobicContact CG1-CD1 3.2Å | ||
| 180 | K | 80.9 | Confident | 84.3 | Confident | 126 Ų | 126 | 50.6 Ų | 50.6 | 55% | 0.548 | 26% | 0.258 | S | S | . | . | trans | -72.3 | 87 | 176.8 | -68.5 | -160.3 | -176.3 | -162.7 | 0 | 110.9 | N178 G1077 P1078 | N178-K180 PolarHBondContact O-N 2.83Å; K180-G1077 PolarHBondContact NZ-O 3.41Å; K180-P1078 PolarHBondContact NZ-O 2.91Å | ||
| 181 | L | 84.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | trans | -104.8 | -10.2 | 174.4 | -66.4 | 174.5 | 0 | 0 | 0 | 114.1 | L132 V156 I160 V179 D183 H187 I189 I202 | L132-L181 HydrophobicContact CD1-CB 3.51Å; L132-L181 HydrophobicContact CD1-CD1 4.32Å; L132-L181 HydrophobicContact CG-CB 4.24Å; V156-L181 HydrophobicContact CB-CD1 4.47Å; I160-L181 HydrophobicContact CD1-CD1 3.97Å; I160-L181 HydrophobicContact CG1-CD1 3.8Å; V179-L181 HydrophobicContact CB-CG 4.45Å; V179-L181 HydrophobicContact CG1-CD1 4.17Å; V179-L181 HydrophobicContact CG1-CD2 4.13Å; V179-L181 HydrophobicContact CG1-CG 3.76Å; V179-L181 PolarHBondContact O-N 3.19Å; L181-D183 VanDerWaalsContact C-N 3.35Å; L181-D183 PolarHBondContact O-N 2.85Å; L181-H187 HydrophobicContact CD2-CB 3.78Å; L181-H187 PolarHBondContact O-CD2 2.73Å; L181-I189 HydrophobicContact CD1-CD1 3.52Å; L181-I189 HydrophobicContact CD1-CG1 4.48Å; L181-I189 HydrophobicContact CD2-CD1 3.96Å; L181-I189 HydrophobicContact CD2-CG1 4.18Å; L181-I189 HydrophobicContact CG-CD1 4.39Å; L181-I202 HydrophobicContact CD2-CD1 4.35Å; L181-I202 HydrophobicContact CD2-CG2 4.3Å | ||
| 182 | N | 80.7 | Confident | 87.9 | Confident | 42 Ų | 42 | 45.1 Ų | 45.1 | 23% | 0.225 | 22% | 0.22 | C | C | . | . | trans | -98.1 | 52.6 | -178.1 | -163.4 | 72.8 | 0 | 0 | 0 | 111.2 | K133 H134 E135 | K133-N182 VanDerWaalsContact C-OD1 3.28Å; H134-N182 VanDerWaalsContact C-OD1 3.25Å; H134-N182 WeakPolarHBondContact CA-OD1 3.38Å; H134-N182 PolarHBondContact N-OD1 2.84Å; H134-N182 VanDerWaalsContact N-OD1 3.09Å; E135-N182 HydrophobicContact CG-CB 3.92Å; E135-N182 WeakPolarHBondContact CG-ND2 3.42Å | ||
| 183 | D | 84.8 | Confident | 88.8 | Confident | 63 Ų | 63 | 44.6 Ų | 44.6 | 34% | 0.337 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -100.9 | 10.9 | 172.6 | 74.2 | 9.7 | 0 | 0 | 0 | 113.1 | L181 R185 H187 | L181-D183 VanDerWaalsContact C-N 3.35Å; L181-D183 PolarHBondContact O-N 2.85Å; D183-R185 VanDerWaalsContact CG-NE 3.34Å; D183-R185 PolarHBondContact O-N 3.45Å; D183-R185 WeakPolarHBondContact OD1-CB 2.97Å; D183-R185 WeakPolarHBondContact OD1-CG 3.5Å; D183-R185 PolarHBondContact OD1-N 3.12Å; D183-R185 IonicContact OD1-NE 2.71Å; D183-R185 PolarHBondContact OD1-NE 2.84Å; D183-R185 IonicContact OD2-CZ 3.76Å; D183-R185 IonicContact OD2-NE 3.72Å; D183-R185 PolarHBondContact OD2-NE 3.4Å; D183-R185 IonicContact OD2-NH2 3.9Å; D183-R185 PolarHBondContact OD2-NH2 2.92Å; D183-H187 IonicContact OD1-NE2 2.9Å; D183-H187 PolarHBondContact OD1-NE2 2.86Å; D183-H187 IonicContact OD2-CE1 2.98Å; D183-H187 IonicContact OD2-NE2 2.79Å |
| 184 | L | 83.4 | Confident | 89 | Confident | 96 Ų | 96 | 47.2 Ų | 47.2 | 50% | 0.503 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 63.5 | 9.3 | -175.6 | -54.9 | 178.1 | 0 | 0 | 0 | 115.6 | R131 L132 | R131-L184 VanDerWaalsContact CD-O 3.24Å; R131-L184 WeakPolarHBondContact CD-O 3.41Å; R131-L184 WeakPolarHBondContact CG-O 3.42Å; L132-L184 WeakPolarHBondContact O-CD2 3.38Å |
| 185 | R | 88.3 | Confident | 89 | Confident | 138 Ų | 138 | 48 Ų | 48 | 52% | 0.521 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -95.6 | 174.9 | 173.1 | -53.9 | -177.7 | -63.4 | 157 | 2.9 | 111.8 | R131 D183 | R131-R185 WeakPolarHBondContact CA-O 3.41Å; D183-R185 VanDerWaalsContact CG-NE 3.34Å; D183-R185 PolarHBondContact O-N 3.45Å; D183-R185 WeakPolarHBondContact OD1-CB 2.97Å; D183-R185 WeakPolarHBondContact OD1-CG 3.5Å; D183-R185 PolarHBondContact OD1-N 3.12Å; D183-R185 IonicContact OD1-NE 2.71Å; D183-R185 PolarHBondContact OD1-NE 2.84Å; D183-R185 IonicContact OD2-CZ 3.76Å; D183-R185 IonicContact OD2-NE 3.72Å; D183-R185 PolarHBondContact OD2-NE 3.4Å; D183-R185 IonicContact OD2-NH2 3.9Å; D183-R185 PolarHBondContact OD2-NH2 2.92Å |
| 186 | W | 90.5 | Very high | 88.9 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | trans | -79.2 | 132.4 | 172.2 | -76.6 | 109.9 | 0 | 0 | 0 | 111.8 | F87 A99 T129 R131 A242 E244 | F87-W186 HydrophobicContact CB-CB 4.19Å; F87-W186 HydrophobicContact CB-CD2 4.11Å; F87-W186 HydrophobicContact CB-CE3 4.46Å; F87-W186 HydrophobicContact CB-CG 3.98Å; F87-W186 HydrophobicContact CD2-CB 3.42Å; F87-W186 VanDerWaalsContact CD2-CB 3.42Å; F87-W186 AromaticContact CD2-CG 3.98Å; F87-W186 HydrophobicContact CD2-CG 3.98Å; F87-W186 HydrophobicContact CE2-CB 4.2Å; F87-W186 HydrophobicContact CG-CB 4.19Å; F87-W186 HydrophobicContact CG-CG 4.47Å; A99-W186 HydrophobicContact CB-CH2 3.41Å; A99-W186 VanDerWaalsContact CB-CH2 3.41Å; A99-W186 HydrophobicContact CB-CZ2 3.69Å; T129-W186 HydrophobicContact CG2-CE3 3.97Å; T129-W186 HydrophobicContact CG2-CZ3 4.34Å; R131-W186 HydrophobicContact CB-CD2 3.83Å; R131-W186 HydrophobicContact CB-CE3 3.8Å; R131-W186 HydrophobicContact CB-CG 4.41Å; R131-W186 HydrophobicContact CB-CH2 4.15Å; R131-W186 HydrophobicContact CB-CZ2 4.21Å; R131-W186 HydrophobicContact CB-CZ3 3.97Å; W186-A242 HydrophobicContact CH2-CB 3.6Å; W186-A242 HydrophobicContact CZ2-CB 4.07Å; W186-A242 HydrophobicContact CZ3-CB 4.43Å; W186-E244 HydrophobicContact CH2-CB 4.39Å; W186-E244 HydrophobicContact CZ3-CB 4.24Å | ||
| 187 | H | 92.3 | Very high | 88.9 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.9 | 173.3 | -68.5 | -66.6 | 0 | 0 | 0 | 111.1 | T129 V130 L181 D183 I189 D203 | T129-H187 WeakPolarHBondContact CA-O 3.45Å; V130-H187 PolarHBondContact N-O 3.04Å; V130-H187 PolarHBondContact O-N 3.48Å; L181-H187 HydrophobicContact CD2-CB 3.78Å; L181-H187 PolarHBondContact O-CD2 2.73Å; D183-H187 IonicContact OD1-NE2 2.9Å; D183-H187 PolarHBondContact OD1-NE2 2.86Å; D183-H187 IonicContact OD2-CE1 2.98Å; D183-H187 IonicContact OD2-NE2 2.79Å; H187-I189 HydrophobicContact CB-CG1 4.32Å; H187-D203 IonicContact CE1-OD2 2.67Å; H187-D203 IonicContact CG-OD2 2.7Å; H187-D203 IonicContact ND1-OD2 2.76Å; H187-D203 PolarHBondContact ND1-OD2 2.88Å |
| 188 | R | 94.1 | Very high | 89.3 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 6% | 0.057 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 111.4 | 168.8 | -68 | 164.1 | -66.2 | -179.5 | 3.4 | 108.7 | F87 T129 I202 D203 C204 Q258 S263 | F87-R188 HydrophobicContact CE1-CG 4.41Å; F87-R188 VanDerWaalsContact CZ-CZ 3.46Å; T129-R188 HydrophobicContact CG2-CG 4.07Å; R188-I202 CarbonylContact O-C 3.42Å; R188-I202 WeakPolarHBondContact O-CA 3.34Å; R188-D203 PolarHBondContact N-OD1 2.79Å; R188-D203 IonicContact NE-OD1 2.69Å; R188-D203 PolarHBondContact O-N 3Å; R188-C204 PolarHBondContact NH2-SG 2.83Å; R188-C204 VanDerWaalsContact NH2-SG 3.42Å; R188-Q258 HydrophobicContact CB-CG 4.09Å; R188-S263 PolarHBondContact NH1-O 2.8Å |
| 189 | I | 95.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.9 | -177.2 | -53.6 | 170.6 | 0 | 0 | 0 | 108.4 | T128 V130 M154 V156 I160 L181 H187 L200 | T128-I189 HydrophobicContact CG2-CB 3.96Å; T128-I189 PolarHBondContact N-O 3.13Å; T128-I189 PolarHBondContact O-N 2.71Å; T128-I189 VanDerWaalsContact O-O 3.13Å; V130-I189 HydrophobicContact CG2-CD1 3.54Å; V130-I189 HydrophobicContact CG2-CG1 4.3Å; M154-I189 HydrophobicContact CE-CG2 3.76Å; V156-I189 HydrophobicContact CG1-CD1 4.1Å; I160-I189 HydrophobicContact CD1-CD1 4.48Å; I160-I189 HydrophobicContact CD1-CG2 3.77Å; L181-I189 HydrophobicContact CD1-CD1 3.52Å; L181-I189 HydrophobicContact CD1-CG1 4.48Å; L181-I189 HydrophobicContact CD2-CD1 3.96Å; L181-I189 HydrophobicContact CD2-CG1 4.18Å; L181-I189 HydrophobicContact CG-CD1 4.39Å; H187-I189 HydrophobicContact CB-CG1 4.32Å; I189-L200 HydrophobicContact CG2-CD1 4.09Å |
| 190 | A | 96.7 | Very high | 91 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 141.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I126 L127 I201 A255 Q258 | I126-A190 CarbonylContact O-C 3.55Å; I126-A190 VanDerWaalsContact O-CA 3.31Å; I126-A190 WeakPolarHBondContact O-CA 3.25Å; L127-A190 HydrophobicContact CD1-CB 4.42Å; L127-A190 HydrophobicContact CG-CB 3.97Å; A190-I201 HydrophobicContact CB-CB 4.35Å; A190-I201 PolarHBondContact N-O 2.84Å; A190-I201 PolarHBondContact O-N 2.89Å; A190-A255 HydrophobicContact CB-CB 3.72Å; A190-Q258 HydrophobicContact CB-CB 4.33Å |
| 191 | L | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.3 | 171.9 | -62 | 177.8 | 0 | 0 | 0 | 108.7 | S125 I126 M154 L162 F176 I193 V198 T199 L200 | S125-L191 CarbonylContact C-O 3.5Å; S125-L191 WeakPolarHBondContact CA-O 3.4Å; S125-L191 WeakPolarHBondContact CB-O 3.24Å; I126-L191 HydrophobicContact CB-CB 4.45Å; I126-L191 HydrophobicContact CD1-CD1 4.41Å; I126-L191 PolarHBondContact N-O 3.42Å; I126-L191 PolarHBondContact O-N 2.85Å; M154-L191 HydrophobicContact CE-CD1 3.99Å; M154-L191 HydrophobicContact CE-CG 4.22Å; M154-L191 HydrophobicContact CG-CD1 4.27Å; M154-L191 HydrophobicContact SD-CD1 3.84Å; M154-L191 HydrophobicContact SD-CG 4.47Å; L162-L191 HydrophobicContact CB-CD1 4.09Å; L162-L191 HydrophobicContact CD1-CD1 4.24Å; F176-L191 HydrophobicContact CD2-CD2 4.48Å; F176-L191 HydrophobicContact CE2-CD2 3.94Å; L191-I193 HydrophobicContact CB-CD1 3.95Å; L191-V198 HydrophobicContact CB-CG1 4.48Å; L191-V198 HydrophobicContact CD2-CG1 4.24Å; L191-T199 WeakPolarHBondContact CA-O 3.46Å; L191-L200 HydrophobicContact CD2-CB 4.21Å; L191-L200 HydrophobicContact CD2-CD1 3.77Å |
| 192 | S | 97 | Very high | 92.1 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 112.9 | 171.5 | -171.2 | 0 | 0 | 0 | 0 | 108.9 | V198 T199 P252 Y256 | S192-V198 CarbonylContact O-C 3.2Å; S192-V198 VanDerWaalsContact O-CA 3.31Å; S192-V198 WeakPolarHBondContact O-CA 3.46Å; S192-T199 PolarHBondContact N-O 2.99Å; S192-T199 PolarHBondContact O-N 2.9Å; S192-P252 VanDerWaalsContact OG-CB 3.31Å; S192-P252 WeakPolarHBondContact OG-CB 3.42Å; S192-P252 PolarHBondContact OG-O 3.27Å; S192-Y256 WeakPolarHBondContact OG-CE2 3.24Å |
| 193 | I | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 105.5 | -178.2 | -56.3 | 83.7 | 0 | 0 | 0 | 108.2 | D123 F124 I126 L162 L191 S197 V198 L212 P252 | D123-I193 WeakPolarHBondContact CA-O 3.24Å; F124-I193 HydrophobicContact CD1-CB 4Å; F124-I193 HydrophobicContact CD1-CG2 4.15Å; F124-I193 HydrophobicContact CD2-CD1 3.92Å; F124-I193 HydrophobicContact CE1-CB 3.83Å; F124-I193 HydrophobicContact CE1-CD1 4.48Å; F124-I193 HydrophobicContact CE1-CG1 4.11Å; F124-I193 HydrophobicContact CE1-CG2 3.69Å; F124-I193 HydrophobicContact CE2-CD1 3.68Å; F124-I193 HydrophobicContact CE2-CG1 4.12Å; F124-I193 HydrophobicContact CG-CB 4.4Å; F124-I193 HydrophobicContact CG-CD1 4.44Å; F124-I193 HydrophobicContact CZ-CB 4.14Å; F124-I193 HydrophobicContact CZ-CD1 3.97Å; F124-I193 HydrophobicContact CZ-CG1 3.87Å; F124-I193 HydrophobicContact CZ-CG2 4.23Å; F124-I193 PolarHBondContact N-O 2.74Å; F124-I193 WeakPolarHBondContact O-CA 3.31Å; F124-I193 WeakPolarHBondContact O-CB 3.49Å; F124-I193 PolarHBondContact O-N 3.07Å; F124-I193 VanDerWaalsContact O-O 3.12Å; I126-I193 HydrophobicContact CD1-CD1 4.32Å; I126-I193 HydrophobicContact CG1-CD1 4.18Å; L162-I193 HydrophobicContact CD2-CG1 3.92Å; L191-I193 HydrophobicContact CB-CD1 3.95Å; I193-S197 WeakPolarHBondContact CA-O 3.33Å; I193-V198 HydrophobicContact CG1-CG1 4.45Å; I193-V198 HydrophobicContact CG1-CG2 4.14Å; I193-V198 HydrophobicContact CG2-CG2 4.3Å; I193-L212 HydrophobicContact CG2-CD2 3.67Å; I193-P252 WeakPolarHBondContact O-CG 3.16Å |
| 194 | K | 92.7 | Very high | 92.9 | Very high | 129 Ų | 129 | 33.2 Ų | 33.2 | 56% | 0.561 | 17% | 0.172 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 119.1 | -174.3 | -173 | 179.8 | -179.8 | -178.8 | 0 | 111.3 | D123 D196 S197 P252 | D123-K194 WeakPolarHBondContact OD2-CA 3.41Å; D123-K194 WeakPolarHBondContact OD2-CG 3.19Å; K194-D196 PolarHBondContact O-N 2.92Å; K194-S197 PolarHBondContact N-O 2.84Å; K194-S197 PolarHBondContact O-N 2.8Å; K194-S197 PolarHBondContact O-OG 2.92Å; K194-P252 HydrophobicContact CB-CB 3.87Å; K194-P252 HydrophobicContact CB-CG 3.83Å; K194-P252 HydrophobicContact CD-CB 4.48Å; K194-P252 HydrophobicContact CD-CG 4.46Å; K194-P252 HydrophobicContact CG-CB 4.34Å; K194-P252 HydrophobicContact CG-CG 3.99Å |
| 195 | G | 89.1 | Confident | 93.3 | Very high | 22 Ų | 22 | 36 Ų | 36 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | -119.2 | -177 | 0 | 0 | 0 | 0 | 0 | 111.3 | D123 R214 | D123-G195 VanDerWaalsContact CG-N 3.33Å; D123-G195 PolarHBondContact OD1-N 3.06Å; D123-G195 PolarHBondContact OD2-N 2.92Å; D123-G195 VanDerWaalsContact OD2-N 3.13Å; G195-R214 VanDerWaalsContact O-CZ 3.23Å; G195-R214 PolarHBondContact O-NE 3.11Å; G195-R214 PolarHBondContact O-NH2 2.99Å |
| 196 | D | 88.8 | Confident | 93.5 | Very high | 78 Ų | 78 | 33 Ų | 33 | 42% | 0.417 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 18.3 | 173.8 | 62.1 | -17.2 | 0 | 0 | 0 | 113 | K194 L211 L212 | K194-D196 PolarHBondContact O-N 2.92Å; D196-L211 HydrophobicContact CB-CD1 4.21Å; D196-L211 CarbonylContact O-C 3.56Å; D196-L211 WeakPolarHBondContact O-CA 3.47Å; D196-L211 WeakPolarHBondContact O-CD1 3.49Å; D196-L212 PolarHBondContact O-N 3.42Å |
| 197 | S | 91.8 | Very high | 93.5 | Very high | 34 Ų | 34 | 36.5 Ų | 36.5 | 24% | 0.238 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.3 | -177.9 | 71.8 | 0 | 0 | 0 | 0 | 113.7 | I193 K194 | I193-S197 WeakPolarHBondContact CA-O 3.33Å; K194-S197 PolarHBondContact N-O 2.84Å; K194-S197 PolarHBondContact O-N 2.8Å; K194-S197 PolarHBondContact O-OG 2.92Å |
| 198 | V | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 112.1 | 172 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | L162 V174 F176 L191 S192 I193 S209 K210 L212 | L162-V198 HydrophobicContact CD2-CG1 3.95Å; L162-V198 HydrophobicContact CD2-CG2 3.7Å; V174-V198 HydrophobicContact CG1-CB 4.38Å; F176-V198 HydrophobicContact CE2-CG1 4.04Å; F176-V198 HydrophobicContact CZ-CB 4.34Å; F176-V198 HydrophobicContact CZ-CG1 3.83Å; L191-V198 HydrophobicContact CB-CG1 4.48Å; L191-V198 HydrophobicContact CD2-CG1 4.24Å; S192-V198 CarbonylContact O-C 3.2Å; S192-V198 VanDerWaalsContact O-CA 3.31Å; S192-V198 WeakPolarHBondContact O-CA 3.46Å; I193-V198 HydrophobicContact CG1-CG1 4.45Å; I193-V198 HydrophobicContact CG1-CG2 4.14Å; I193-V198 HydrophobicContact CG2-CG2 4.3Å; V198-S209 WeakPolarHBondContact O-CA 3.27Å; V198-S209 PolarHBondContact O-OG 2.83Å; V198-K210 PolarHBondContact N-O 3.18Å; V198-K210 PolarHBondContact O-N 2.7Å; V198-L212 HydrophobicContact CG2-CB 3.7Å; V198-L212 HydrophobicContact CG2-CD1 4.22Å; V198-L212 HydrophobicContact CG2-CD2 3.71Å; V198-L212 HydrophobicContact CG2-CG 4.09Å |
| 199 | T | 95.7 | Very high | 93.4 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 124.7 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 110.3 | L191 S192 I201 V206 S209 | L191-T199 WeakPolarHBondContact CA-O 3.46Å; S192-T199 PolarHBondContact N-O 2.99Å; S192-T199 PolarHBondContact O-N 2.9Å; T199-I201 HydrophobicContact CG2-CG1 4.36Å; T199-V206 HydrophobicContact CG2-CG1 3.63Å; T199-S209 WeakPolarHBondContact OG1-CB 3.45Å; T199-S209 PolarHBondContact OG1-OG 2.85Å |
| 200 | L | 96.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.5 | 174.2 | 171.8 | 63.4 | 0 | 0 | 0 | 110.3 | I160 F176 V179 I189 L191 I202 I207 T208 | I160-L200 HydrophobicContact CD1-CD1 3.53Å; I160-L200 HydrophobicContact CD1-CD2 3.96Å; I160-L200 HydrophobicContact CD1-CG 4.4Å; F176-L200 HydrophobicContact CB-CD2 3.59Å; F176-L200 HydrophobicContact CD1-CB 3.8Å; F176-L200 HydrophobicContact CD1-CD2 3.77Å; F176-L200 HydrophobicContact CD1-CG 4.45Å; F176-L200 HydrophobicContact CD2-CB 4.38Å; F176-L200 HydrophobicContact CD2-CD2 4.23Å; F176-L200 HydrophobicContact CE1-CB 3.7Å; F176-L200 HydrophobicContact CE2-CB 4.3Å; F176-L200 HydrophobicContact CG-CB 4.15Å; F176-L200 HydrophobicContact CG-CD2 3.6Å; F176-L200 HydrophobicContact CG-CG 4.45Å; F176-L200 HydrophobicContact CZ-CB 3.97Å; V179-L200 HydrophobicContact CG2-CD2 4.35Å; I189-L200 HydrophobicContact CG2-CD1 4.09Å; L191-L200 HydrophobicContact CD2-CB 4.21Å; L191-L200 HydrophobicContact CD2-CD1 3.77Å; L200-I202 HydrophobicContact CD1-CD1 4.08Å; L200-I202 HydrophobicContact CD1-CG1 3.79Å; L200-I202 HydrophobicContact CD2-CD1 4.05Å; L200-I202 HydrophobicContact CD2-CG1 4.47Å; L200-I202 HydrophobicContact CG-CD1 4.19Å; L200-I202 HydrophobicContact CG-CG1 4.07Å; L200-I207 HydrophobicContact CD2-CB 4.26Å; L200-I207 HydrophobicContact CD2-CG2 4.34Å; L200-I207 HydrophobicContact CG-CB 4.19Å; L200-I207 HydrophobicContact CG-CG1 4.4Å; L200-I207 PolarHBondContact O-N 2.87Å; L200-T208 PolarHBondContact N-O 2.85Å |
| 201 | I | 95.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 131 | 175.4 | -50.6 | -176.3 | 0 | 0 | 0 | 107.3 | A190 T199 K205 V206 A255 Y256 | A190-I201 HydrophobicContact CB-CB 4.35Å; A190-I201 PolarHBondContact N-O 2.84Å; A190-I201 PolarHBondContact O-N 2.89Å; T199-I201 HydrophobicContact CG2-CG1 4.36Å; I201-K205 CarbonylContact C-O 3.58Å; I201-K205 WeakPolarHBondContact CA-O 3.23Å; I201-V206 HydrophobicContact CD1-CG2 4.24Å; I201-V206 HydrophobicContact CG1-CG2 4.14Å; I201-A255 HydrophobicContact CD1-CB 4.04Å; I201-Y256 HydrophobicContact CD1-CD1 3.58Å; I201-Y256 HydrophobicContact CD1-CD2 4.19Å; I201-Y256 HydrophobicContact CD1-CE1 3.69Å; I201-Y256 HydrophobicContact CD1-CE2 4.29Å; I201-Y256 HydrophobicContact CD1-CG 3.84Å |
| 202 | I | 93.7 | Very high | 92.5 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 130.4 | 176.6 | -58 | 178.6 | 0 | 0 | 0 | 108.4 | I160 V179 L181 R188 L200 C204 K205 I207 | I160-I202 HydrophobicContact CD1-CD1 3.79Å; I160-I202 HydrophobicContact CD1-CG1 4.45Å; V179-I202 HydrophobicContact CG1-CD1 3.2Å; L181-I202 HydrophobicContact CD2-CD1 4.35Å; L181-I202 HydrophobicContact CD2-CG2 4.3Å; R188-I202 CarbonylContact O-C 3.42Å; R188-I202 WeakPolarHBondContact O-CA 3.34Å; L200-I202 HydrophobicContact CD1-CD1 4.08Å; L200-I202 HydrophobicContact CD1-CG1 3.79Å; L200-I202 HydrophobicContact CD2-CD1 4.05Å; L200-I202 HydrophobicContact CD2-CG1 4.47Å; L200-I202 HydrophobicContact CG-CD1 4.19Å; L200-I202 HydrophobicContact CG-CG1 4.07Å; I202-C204 VanDerWaalsContact C-N 3.29Å; I202-C204 PolarHBondContact O-N 2.86Å; I202-K205 PolarHBondContact N-O 3.16Å; I202-K205 WeakPolarHBondContact O-CB 3.48Å; I202-K205 PolarHBondContact O-N 2.84Å; I202-I207 HydrophobicContact CB-CD1 4.18Å; I202-I207 HydrophobicContact CB-CG1 3.86Å; I202-I207 HydrophobicContact CD1-CG1 4.08Å; I202-I207 HydrophobicContact CG1-CG1 3.86Å |
| 203 | D | 92.5 | Very high | 91.8 | Very high | 54 Ų | 54 | 55.4 Ų | 55.4 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 54.3 | -179.8 | -64.9 | -48 | 0 | 0 | 0 | 112.2 | H187 R188 K205 | H187-D203 IonicContact CE1-OD2 2.67Å; H187-D203 IonicContact CG-OD2 2.7Å; H187-D203 IonicContact ND1-OD2 2.76Å; H187-D203 PolarHBondContact ND1-OD2 2.88Å; R188-D203 PolarHBondContact N-OD1 2.79Å; R188-D203 IonicContact NE-OD1 2.69Å; R188-D203 PolarHBondContact O-N 3Å; D203-K205 PolarHBondContact O-N 2.93Å; D203-K205 VanDerWaalsContact O-N 3.09Å |
| 204 | C | 90.2 | Very high | 91.2 | Very high | 71 Ų | 71 | 56.3 Ų | 56.3 | 48% | 0.48 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | -5.9 | -178.8 | -31.7 | 0 | 0 | 0 | 0 | 115.4 | R188 I202 C259 | R188-C204 PolarHBondContact NH2-SG 2.83Å; R188-C204 VanDerWaalsContact NH2-SG 3.42Å; I202-C204 VanDerWaalsContact C-N 3.29Å; I202-C204 PolarHBondContact O-N 2.86Å; C204-C259 WeakPolarHBondContact CA-SG 3.04Å; C204-C259 HydrophobicContact CB-CB 3.8Å; C204-C259 WeakPolarHBondContact CB-SG 3.45Å; C204-C259 PolarHBondContact N-SG 2.89Å; C204-C259 WeakPolarHBondContact SG-CB 3.36Å; C204-C259 CovalentContact SG-SG 2.03Å; C204-C259 PolarHBondContact SG-SG 3.32Å |
| 205 | K | 90.9 | Very high | 90.6 | Very high | 153 Ų | 153 | 51.4 Ų | 51.4 | 67% | 0.665 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.4 | -177.1 | -170.8 | 168.6 | -175.4 | 168.1 | 0 | 111.6 | I201 I202 D203 I207 | I201-K205 CarbonylContact C-O 3.58Å; I201-K205 WeakPolarHBondContact CA-O 3.23Å; I202-K205 PolarHBondContact N-O 3.16Å; I202-K205 WeakPolarHBondContact O-CB 3.48Å; I202-K205 PolarHBondContact O-N 2.84Å; D203-K205 PolarHBondContact O-N 2.93Å; D203-K205 VanDerWaalsContact O-N 3.09Å; K205-I207 HydrophobicContact CB-CD1 4.33Å; K205-I207 HydrophobicContact CG-CD1 4.34Å; K205-I207 PolarHBondContact O-N 3.06Å |
| 206 | V | 92.3 | Very high | 90.1 | Very high | 76 Ų | 76 | 54.7 Ų | 54.7 | 46% | 0.461 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 119.5 | 168.3 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | T199 I201 Y256 | T199-V206 HydrophobicContact CG2-CG1 3.63Å; I201-V206 HydrophobicContact CD1-CG2 4.24Å; I201-V206 HydrophobicContact CG1-CG2 4.14Å; V206-Y256 HydrophobicContact CG2-CD1 4.42Å; V206-Y256 HydrophobicContact CG2-CE1 3.95Å |
| 207 | I | 90.8 | Very high | 89.4 | Confident | 86 Ų | 86 | 57.1 Ų | 57.1 | 44% | 0.441 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -52.3 | -176.5 | -56.4 | -55.4 | 0 | 0 | 0 | 110.6 | L200 I202 K205 | L200-I207 HydrophobicContact CD2-CB 4.26Å; L200-I207 HydrophobicContact CD2-CG2 4.34Å; L200-I207 HydrophobicContact CG-CB 4.19Å; L200-I207 HydrophobicContact CG-CG1 4.4Å; L200-I207 PolarHBondContact O-N 2.87Å; I202-I207 HydrophobicContact CB-CD1 4.18Å; I202-I207 HydrophobicContact CB-CG1 3.86Å; I202-I207 HydrophobicContact CD1-CG1 4.08Å; I202-I207 HydrophobicContact CG1-CG1 3.86Å; K205-I207 HydrophobicContact CB-CD1 4.33Å; K205-I207 HydrophobicContact CG-CD1 4.34Å; K205-I207 PolarHBondContact O-N 3.06Å |
| 208 | T | 91.6 | Very high | 88.7 | Confident | 61 Ų | 61 | 59.9 Ų | 59.9 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | 166.6 | 178.5 | -165.8 | 0 | 0 | 0 | 0 | 110.8 | F176 L200 | F176-T208 HydrophobicContact CD1-CG2 3.48Å; F176-T208 VanDerWaalsContact CD1-CG2 3.48Å; F176-T208 HydrophobicContact CE1-CG2 3.74Å; L200-T208 PolarHBondContact N-O 2.85Å |
| 209 | S | 92.2 | Very high | 87.8 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 42% | 0.42 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142.6 | 172.9 | -165.7 | 0 | 0 | 0 | 0 | 110.4 | V198 T199 | V198-S209 WeakPolarHBondContact O-CA 3.27Å; V198-S209 PolarHBondContact O-OG 2.83Å; T199-S209 WeakPolarHBondContact OG1-CB 3.45Å; T199-S209 PolarHBondContact OG1-OG 2.85Å |
| 210 | K | 92.6 | Very high | 87.2 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 152.5 | -177 | -71.6 | -168.2 | 174.1 | -160.9 | 0 | 111.3 | V174 E175 F176 V198 | V174-K210 HydrophobicContact CG1-CB 3.58Å; V174-K210 HydrophobicContact CG1-CD 4.09Å; V174-K210 HydrophobicContact CG1-CG 4.42Å; E175-K210 WeakPolarHBondContact O-CD 3.45Å; E175-K210 WeakPolarHBondContact O-CE 3.44Å; E175-K210 PolarHBondContact O-NZ 2.87Å; F176-K210 HydrophobicContact CD1-CD 3.98Å; F176-K210 HydrophobicContact CD1-CG 4.28Å; F176-K210 HydrophobicContact CE1-CB 4.08Å; F176-K210 HydrophobicContact CE1-CD 3.86Å; F176-K210 HydrophobicContact CE1-CG 3.75Å; F176-K210 HydrophobicContact CZ-CB 4.29Å; F176-K210 HydrophobicContact CZ-CD 4.48Å; F176-K210 HydrophobicContact CZ-CG 4.42Å; V198-K210 PolarHBondContact N-O 3.18Å; V198-K210 PolarHBondContact O-N 2.7Å |
| 211 | L | 89.9 | Confident | 86.4 | Confident | 110 Ų | 110 | 69.7 Ų | 69.7 | 58% | 0.576 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 138 | 176.6 | -160.4 | 78.6 | 0 | 0 | 0 | 110.7 | D196 | D196-L211 HydrophobicContact CB-CD1 4.21Å; D196-L211 CarbonylContact O-C 3.56Å; D196-L211 WeakPolarHBondContact O-CA 3.47Å; D196-L211 WeakPolarHBondContact O-CD1 3.49Å |
| 212 | L | 88.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | trans | -113.3 | 109.2 | 176.2 | 175.9 | 68.9 | 0 | 0 | 0 | 108.4 | Y164 V174 I193 D196 V198 R214 | Y164-L212 HydrophobicContact CD2-CD2 4.41Å; Y164-L212 HydrophobicContact CG-CD1 4.17Å; V174-L212 HydrophobicContact CG2-CB 4.24Å; V174-L212 HydrophobicContact CG2-CD1 3.63Å; I193-L212 HydrophobicContact CG2-CD2 3.67Å; D196-L212 PolarHBondContact O-N 3.42Å; V198-L212 HydrophobicContact CG2-CB 3.7Å; V198-L212 HydrophobicContact CG2-CD1 4.22Å; V198-L212 HydrophobicContact CG2-CD2 3.71Å; V198-L212 HydrophobicContact CG2-CG 4.09Å; L212-R214 VanDerWaalsContact C-N 3.29Å; L212-R214 HydrophobicContact CD2-CG 4.08Å; L212-R214 HydrophobicContact CG-CB 4.37Å; L212-R214 HydrophobicContact CG-CG 4.01Å; L212-R214 PolarHBondContact O-N 3.37Å | ||
| 213 | N | 82.9 | Confident | 84.9 | Confident | 113 Ų | 113 | 71.3 Ų | 71.3 | 60% | 0.604 | 39% | 0.387 | S | S | * | . | trans | -80.8 | 73.4 | -173.8 | -173.9 | 47.1 | 0 | 0 | 0 | 111.1 | S172 | S172-N213 WeakPolarHBondContact CB-O 3.44Å; S172-N213 PolarHBondContact OG-N 2.82Å | ||
| 214 | R | 83.1 | Confident | 84.5 | Confident | 19 Ų | 19 | 75.2 Ų | 75.2 | 7% | 0.072 | 40% | 0.401 | C | S | . | . | trans | -119.6 | 156.4 | -179.8 | 65.7 | 171.4 | 177.5 | 170.4 | 3.7 | 112.7 | Q122 D123 Y164 L166 G195 L212 L216 | Q122-R214 PolarHBondContact O-NH1 3.45Å; Q122-R214 PolarHBondContact O-NH2 2.97Å; D123-R214 IonicContact OD1-NH2 2.71Å; D123-R214 PolarHBondContact OD1-NH2 3.27Å; Y164-R214 HydrophobicContact CD1-CB 4.03Å; Y164-R214 HydrophobicContact CE1-CB 3.61Å; Y164-R214 HydrophobicContact CE1-CG 4.31Å; Y164-R214 WeakPolarHBondContact OH-CD 3.39Å; Y164-R214 PolarHBondContact OH-NH1 3.35Å; Y164-R214 VanDerWaalsContact OH-NH1 3.11Å; L166-R214 HydrophobicContact CD1-CB 4.35Å; G195-R214 VanDerWaalsContact O-CZ 3.23Å; G195-R214 PolarHBondContact O-NE 3.11Å; G195-R214 PolarHBondContact O-NH2 2.99Å; L212-R214 VanDerWaalsContact C-N 3.29Å; L212-R214 HydrophobicContact CD2-CG 4.08Å; L212-R214 HydrophobicContact CG-CB 4.37Å; L212-R214 HydrophobicContact CG-CG 4.01Å; L212-R214 PolarHBondContact O-N 3.37Å; R214-L216 PolarHBondContact O-N 3.3Å | ||
| 215 | S | 78.6 | Confident | 84.4 | Confident | 27 Ų | 27 | 71.9 Ų | 71.9 | 19% | 0.189 | 38% | 0.379 | C | S | . | . | trans | -61.3 | 130.7 | 166.1 | -173.7 | 0 | 0 | 0 | 0 | 110.3 | L166 T217 E218 | L166-S215 VanDerWaalsContact CD1-CB 3.46Å; S215-T217 VanDerWaalsContact C-N 3.3Å; S215-T217 PolarHBondContact OG-N 3.06Å; S215-T217 PolarHBondContact OG-OG1 3.11Å; S215-E218 WeakPolarHBondContact CB-OE2 3.34Å; S215-E218 PolarHBondContact OG-OE2 3.32Å | ||
| 216 | L | 79.4 | Confident | 84.5 | Confident | 91 Ų | 91 | 67.1 Ų | 67.1 | 48% | 0.476 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -88.6 | 3.6 | 172.7 | -65.1 | -178.3 | 0 | 0 | 0 | 113 | Q122 R214 | Q122-L216 VanDerWaalsContact NE2-C 3.32Å; Q122-L216 PolarHBondContact NE2-O 3.49Å; R214-L216 PolarHBondContact O-N 3.3Å |
| 217 | T | 75 | Confident | 84.6 | Confident | 129 Ų | 129 | 63.5 Ų | 63.5 | 79% | 0.791 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -114 | -0.6 | 177.4 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | S215 | S215-T217 VanDerWaalsContact C-N 3.3Å; S215-T217 PolarHBondContact OG-N 3.06Å; S215-T217 PolarHBondContact OG-OG1 3.11Å |
| 218 | E | 75.7 | Confident | 84.8 | Confident | 92 Ų | 92 | 61 Ų | 61 | 43% | 0.43 | 32% | 0.323 | S | S | . | . | trans | -130.9 | 128.2 | -175.5 | -62.1 | 178.5 | 122.2 | 0 | 0 | 111.5 | L166 S215 | L166-E218 HydrophobicContact CD2-CB 4.45Å; S215-E218 WeakPolarHBondContact CB-OE2 3.34Å; S215-E218 PolarHBondContact OG-OE2 3.32Å | ||
| 219 | N | 76.5 | Confident | 84.9 | Confident | 60 Ų | 60 | 58 Ų | 58 | 32% | 0.321 | 31% | 0.305 | S | S | . | . | trans | -91 | 154.7 | 173.9 | -62 | -17.4 | 0 | 0 | 0 | 110.3 | K221 | N219-K221 PolarHBondContact O-N 3.19Š| ||
| 220 | L | 83.2 | Confident | 84.9 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | trans | -56.1 | 136.4 | 171.2 | -68.3 | 170.4 | 0 | 0 | 0 | 110.9 | F120 Q151 L152 Y164 Y165 L166 F222 | F120-L220 HydrophobicContact CB-CB 4.37Å; F120-L220 HydrophobicContact CD1-CB 4.22Å; F120-L220 HydrophobicContact CD1-CD1 3.81Å; F120-L220 HydrophobicContact CD1-CG 4.46Å; F120-L220 HydrophobicContact CE1-CD1 3.84Å; F120-L220 HydrophobicContact CG-CB 4.48Å; Q151-L220 HydrophobicContact CB-CD2 4.42Å; L152-L220 HydrophobicContact CB-CD1 3.98Å; L152-L220 HydrophobicContact CD1-CD1 4.21Å; L152-L220 HydrophobicContact CD2-CD1 4.02Å; L152-L220 HydrophobicContact CG-CD1 4.3Å; Y164-L220 HydrophobicContact CD1-CD2 4.44Å; Y164-L220 HydrophobicContact CD2-CD1 4.11Å; Y164-L220 HydrophobicContact CD2-CD2 4.5Å; Y164-L220 HydrophobicContact CE1-CD2 4.04Å; Y164-L220 HydrophobicContact CE1-CG 4.44Å; Y164-L220 HydrophobicContact CE2-CD1 3.61Å; Y164-L220 HydrophobicContact CE2-CD2 4.12Å; Y164-L220 HydrophobicContact CE2-CG 3.87Å; Y165-L220 WeakPolarHBondContact O-CD2 3.34Å; L166-L220 HydrophobicContact CD2-CD2 4.23Å; L220-F222 HydrophobicContact CB-CE1 3.74Å; L220-F222 HydrophobicContact CB-CZ 3.8Å; L220-F222 HydrophobicContact CD1-CE1 4.07Å; L220-F222 HydrophobicContact CD1-CZ 4Å; L220-F222 HydrophobicContact CG-CE1 4.36Å | ||
| 221 | K | 79.5 | Confident | 84.9 | Confident | 154 Ų | 154 | 51.6 Ų | 51.6 | 67% | 0.67 | 27% | 0.269 | S | S | * | . | trans | -129.3 | 104 | 178.9 | -66.2 | 167.4 | -168.4 | 158.9 | 0 | 108.3 | N219 | N219-K221 PolarHBondContact O-N 3.19Š| ||
| 222 | F | 81.6 | Confident | 84.8 | Confident | 14 Ų | 14 | 49 Ų | 49 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | trans | -84.8 | -19.8 | -177.1 | -47 | -55.5 | 0 | 0 | 0 | 113.4 | A112 F116 F120 V143 Q151 L152 L220 G225 | A112-F222 HydrophobicContact CB-CB 3.5Å; A112-F222 VanDerWaalsContact CB-CB 3.5Å; A112-F222 HydrophobicContact CB-CD2 4.31Å; A112-F222 HydrophobicContact CB-CG 4.12Å; F116-F222 HydrophobicContact CB-CD2 4.04Å; F116-F222 HydrophobicContact CB-CE2 4Å; F116-F222 HydrophobicContact CD1-CE2 4.43Å; F116-F222 AromaticContact CD2-CD2 3.54Å; F116-F222 HydrophobicContact CD2-CD2 3.54Å; F116-F222 AromaticContact CD2-CE2 3.42Å; F116-F222 HydrophobicContact CD2-CE2 3.42Å; F116-F222 VanDerWaalsContact CD2-CE2 3.42Å; F116-F222 HydrophobicContact CD2-CZ 4.4Å; F116-F222 HydrophobicContact CE2-CD2 4.35Å; F116-F222 HydrophobicContact CE2-CE2 4Å; F116-F222 HydrophobicContact CG-CD2 4.01Å; F116-F222 AromaticContact CG-CE2 3.68Å; F116-F222 HydrophobicContact CG-CE2 3.68Å; F120-F222 HydrophobicContact CB-CE2 3.91Å; F120-F222 HydrophobicContact CB-CZ 4.23Å; F120-F222 HydrophobicContact CD1-CZ 4.44Å; F120-F222 AromaticContact CD2-CE2 3.56Å; F120-F222 HydrophobicContact CD2-CE2 3.56Å; F120-F222 AromaticContact CD2-CZ 3.76Å; F120-F222 HydrophobicContact CD2-CZ 3.76Å; F120-F222 HydrophobicContact CE2-CE2 4.29Å; F120-F222 HydrophobicContact CE2-CZ 4.2Å; F120-F222 AromaticContact CG-CE2 3.86Å; F120-F222 HydrophobicContact CG-CE2 3.86Å; F120-F222 AromaticContact CG-CZ 3.88Å; F120-F222 HydrophobicContact CG-CZ 3.88Å; V143-F222 HydrophobicContact CB-CD1 4.25Å; V143-F222 HydrophobicContact CB-CE1 4.17Å; V143-F222 HydrophobicContact CG1-CB 4.06Å; V143-F222 HydrophobicContact CG1-CD1 3.32Å; V143-F222 HydrophobicContact CG1-CD2 4.14Å; V143-F222 HydrophobicContact CG1-CE1 3.67Å; V143-F222 HydrophobicContact CG1-CE2 4.43Å; V143-F222 HydrophobicContact CG1-CG 3.57Å; V143-F222 HydrophobicContact CG1-CZ 4.22Å; Q151-F222 HydrophobicContact CB-CD1 3.87Å; Q151-F222 HydrophobicContact CB-CE1 3.99Å; Q151-F222 HydrophobicContact CG-CD1 4.39Å; L152-F222 HydrophobicContact CB-CE1 4.21Å; L152-F222 HydrophobicContact CD2-CZ 4.5Å; L220-F222 HydrophobicContact CB-CE1 3.74Å; L220-F222 HydrophobicContact CB-CZ 3.8Å; L220-F222 HydrophobicContact CD1-CE1 4.07Å; L220-F222 HydrophobicContact CD1-CZ 4Å; L220-F222 HydrophobicContact CG-CE1 4.36Å; F222-G225 WeakPolarHBondContact O-CA 3.46Å; F222-G225 PolarHBondContact O-N 2.76Å | ||
| 223 | G | 76.4 | Confident | 84.7 | Confident | 40 Ų | 40 | 55.9 Ų | 55.9 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | -141.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E146 G225 | E146-G223 WeakPolarHBondContact OE1-CA 3.19Å; G223-G225 PolarHBondContact O-N 2.68Å |
| 224 | K | 83.3 | Confident | 84.8 | Confident | 137 Ų | 137 | 55 Ų | 55 | 60% | 0.596 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | 24.3 | 167.8 | -47.9 | 174.2 | -151.7 | 107.9 | 0 | 113.2 | E146 | E146-K224 HydrophobicContact CG-CB 3.81Å; E146-K224 HydrophobicContact CG-CG 4.49Å; E146-K224 PolarHBondContact OE1-N 2.98Å; E146-K224 IonicContact OE1-NZ 2.82Å; E146-K224 IonicContact OE2-NZ 2.69Å; E146-K224 PolarHBondContact OE2-NZ 3.42Å |
| 225 | G | 88.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | trans | -59.5 | 176.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | P111 A112 I144 F222 G223 | P111-G225 CarbonylContact C-O 3.5Å; P111-G225 WeakPolarHBondContact CA-O 3.14Å; A112-G225 PolarHBondContact N-O 2.75Å; I144-G225 CarbonylContact O-C 3.55Å; I144-G225 VanDerWaalsContact O-C 3.29Å; I144-G225 WeakPolarHBondContact O-CA 3.44Å; F222-G225 WeakPolarHBondContact O-CA 3.46Å; F222-G225 PolarHBondContact O-N 2.76Å; G223-G225 PolarHBondContact O-N 2.68Å | ||
| 226 | M | 93.1 | Very high | 85.1 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 26% | 0.256 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.4 | -176.7 | -71.5 | -64.4 | -58.8 | 0 | 0 | 110.9 | K109 P111 I144 Y228 | K109-M226 HydrophobicContact CB-CE 4.06Å; K109-M226 HydrophobicContact CD-CE 4.17Å; K109-M226 HydrophobicContact CG-CE 3.99Å; P111-M226 HydrophobicContact CB-SD 4.36Å; P111-M226 HydrophobicContact CG-SD 4.09Å; I144-M226 PolarHBondContact N-O 2.69Å; I144-M226 PolarHBondContact O-N 2.69Å; M226-Y228 HydrophobicContact CB-CD2 4.2Å; M226-Y228 HydrophobicContact CB-CE2 3.46Å; M226-Y228 VanDerWaalsContact CB-CE2 3.46Å |
| 227 | L | 94 | Very high | 85.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 126.9 | 166 | 165.9 | 63.2 | 0 | 0 | 0 | 108.9 | L67 K109 L110 A115 F116 F141 D142 V143 I229 | L67-L227 HydrophobicContact CD2-CD2 3.84Å; K109-L227 CarbonylContact C-O 3.43Å; K109-L227 WeakPolarHBondContact CA-O 3.36Å; L110-L227 HydrophobicContact CD2-CB 4.43Å; L110-L227 HydrophobicContact CD2-CD2 3.88Å; L110-L227 HydrophobicContact CD2-CG 4.15Å; L110-L227 HydrophobicContact CG-CD2 4.37Å; L110-L227 PolarHBondContact N-O 2.95Å; L110-L227 PolarHBondContact O-N 3.44Å; A115-L227 HydrophobicContact CB-CD2 3.64Å; F116-L227 HydrophobicContact CE2-CD2 4.2Å; F116-L227 HydrophobicContact CZ-CD2 4.37Å; F141-L227 HydrophobicContact CB-CD1 4.1Å; F141-L227 HydrophobicContact CD2-CD1 3.98Å; F141-L227 HydrophobicContact CG-CD1 4.45Å; D142-L227 WeakPolarHBondContact O-CA 3.45Å; V143-L227 HydrophobicContact CG2-CB 4.44Å; V143-L227 HydrophobicContact CG2-CD1 3.73Å; L227-I229 HydrophobicContact CD1-CD1 4.29Å; L227-I229 HydrophobicContact CD1-CG1 3.92Å; L227-I229 HydrophobicContact CD2-CD1 3.78Å; L227-I229 HydrophobicContact CD2-CG1 4.24Å; L227-I229 HydrophobicContact CG-CD1 3.9Å; L227-I229 HydrophobicContact CG-CG1 3.79Å |
| 228 | Y | 94.6 | Very high | 86.1 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 13% | 0.129 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141 | 172 | -60.3 | -95.1 | 0 | 0 | 0 | 109.6 | K109 F141 D142 I144 M226 Q231 D232 K233 | K109-Y228 HydrophobicContact CB-CD1 3.76Å; K109-Y228 HydrophobicContact CB-CE1 4.09Å; K109-Y228 HydrophobicContact CB-CG 4.4Å; K109-Y228 HydrophobicContact CD-CD1 4.19Å; K109-Y228 HydrophobicContact CD-CE1 3.76Å; F141-Y228 CarbonylContact C-O 3.52Å; F141-Y228 WeakPolarHBondContact CA-O 3.39Å; F141-Y228 WeakPolarHBondContact CB-O 3.46Å; D142-Y228 PolarHBondContact N-O 3.29Å; D142-Y228 PolarHBondContact O-N 3.48Å; I144-Y228 HydrophobicContact CB-CE2 4.44Å; I144-Y228 HydrophobicContact CD1-CD2 3.92Å; I144-Y228 HydrophobicContact CD1-CE2 3.8Å; I144-Y228 HydrophobicContact CG1-CD2 4.21Å; I144-Y228 HydrophobicContact CG1-CE2 4.25Å; M226-Y228 HydrophobicContact CB-CD2 4.2Å; M226-Y228 HydrophobicContact CB-CE2 3.46Å; M226-Y228 VanDerWaalsContact CB-CE2 3.46Å; Y228-Q231 WeakPolarHBondContact CB-O 3.48Å; Y228-Q231 HydrophobicContact CD1-CG 4.47Å; Y228-D232 WeakPolarHBondContact CD1-O 3.29Å; Y228-K233 HydrophobicContact CE1-CB 4.27Å; Y228-K233 HydrophobicContact CE2-CB 4.28Å |
| 229 | I | 94.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 123.2 | -171 | -36.2 | -174.2 | 0 | 0 | 0 | 109.2 | L67 V71 L108 L110 I140 F141 L227 Q231 L246 | L67-I229 HydrophobicContact CB-CD1 4.1Å; L67-I229 WeakPolarHBondContact O-CD1 3.26Å; V71-I229 HydrophobicContact CG1-CD1 3.53Å; V71-I229 HydrophobicContact CG1-CG1 4.2Å; V71-I229 HydrophobicContact CG2-CD1 4.34Å; L108-I229 WeakPolarHBondContact CB-O 3.27Å; L108-I229 WeakPolarHBondContact CD1-O 3.28Å; L108-I229 PolarHBondContact O-N 2.91Å; L110-I229 HydrophobicContact CD2-CD1 4.01Å; I140-I229 CarbonylContact O-C 3.59Å; F141-I229 HydrophobicContact CB-CG2 4.33Å; L227-I229 HydrophobicContact CD1-CD1 4.29Å; L227-I229 HydrophobicContact CD1-CG1 3.92Å; L227-I229 HydrophobicContact CD2-CD1 3.78Å; L227-I229 HydrophobicContact CD2-CG1 4.24Å; L227-I229 HydrophobicContact CG-CD1 3.9Å; L227-I229 HydrophobicContact CG-CG1 3.79Å; I229-Q231 PolarHBondContact O-N 2.87Å; I229-L246 HydrophobicContact CG2-CD2 3.8Å |
| 230 | L | 92.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 55.2 | -7 | -171.6 | -41.9 | 179.6 | 0 | 0 | 0 | 116.1 | L68 I73 Y102 L108 I140 A237 S238 F239 I243 | L68-L230 HydrophobicContact CD2-CD1 4.32Å; I73-L230 HydrophobicContact CD1-CD1 3.77Å; Y102-L230 HydrophobicContact CD1-CB 4.01Å; Y102-L230 WeakPolarHBondContact CD1-O 3.39Å; Y102-L230 HydrophobicContact CG-CB 4.23Å; L108-L230 HydrophobicContact CD1-CB 3.9Å; L108-L230 HydrophobicContact CD1-CD1 4.08Å; L108-L230 HydrophobicContact CD1-CG 4.26Å; I140-L230 HydrophobicContact CG2-CD2 3.77Å; I140-L230 PolarHBondContact O-N 3.43Å; L230-A237 CarbonylContact O-C 3.45Å; L230-A237 WeakPolarHBondContact O-CA 3.07Å; L230-S238 PolarHBondContact O-N 3.44Å; L230-S238 PolarHBondContact O-OG 3.28Å; L230-F239 HydrophobicContact CD2-CB 4.09Å; L230-F239 HydrophobicContact CD2-CD1 3.92Å; L230-F239 HydrophobicContact CD2-CG 4.09Å; L230-I243 HydrophobicContact CD1-CG2 3.67Å; L230-I243 HydrophobicContact CD2-CD1 4.12Å; L230-I243 HydrophobicContact CD2-CG2 4.03Å; L230-I243 HydrophobicContact CG-CG2 4.5Å |
| 231 | Q | 91.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -117.3 | 154.8 | 169.3 | 63.8 | 173.3 | 83 | 0 | 0 | 110.6 | Y102 D106 L108 Y228 I229 S236 S238 | Y102-Q231 HydrophobicContact CE1-CB 3.91Å; Y102-Q231 PolarHBondContact OH-OE1 2.88Å; D106-Q231 PolarHBondContact OD1-NE2 3.39Å; L108-Q231 HydrophobicContact CB-CG 4.09Å; Y228-Q231 WeakPolarHBondContact CB-O 3.48Å; Y228-Q231 HydrophobicContact CD1-CG 4.47Å; I229-Q231 PolarHBondContact O-N 2.87Å; Q231-S236 CarbonylContact C-O 3.5Å; Q231-S236 VanDerWaalsContact CA-O 3.25Å; Q231-S236 WeakPolarHBondContact CA-O 3.24Å; Q231-S238 VanDerWaalsContact C-OG 3.31Å; Q231-S238 PolarHBondContact N-OG 2.88Å; Q231-S238 PolarHBondContact O-OG 3.32Å |
| 232 | D | 88.6 | Confident | 88.4 | Confident | 55 Ų | 55 | 36.5 Ų | 36.5 | 29% | 0.294 | 21% | 0.211 | S | C | . | . | trans | -86.9 | -174.9 | 168.1 | 81.6 | -11.5 | 0 | 0 | 0 | 112 | Y228 T234 G235 S236 | Y228-D232 WeakPolarHBondContact CD1-O 3.29Å; D232-T234 VanDerWaalsContact CG-OG1 3.31Å; D232-T234 PolarHBondContact O-N 2.94Å; D232-T234 VanDerWaalsContact O-N 3.09Å; D232-T234 VanDerWaalsContact OD1-CA 3.31Å; D232-T234 WeakPolarHBondContact OD1-CA 3.46Å; D232-T234 WeakPolarHBondContact OD1-CB 3.3Å; D232-T234 PolarHBondContact OD1-N 3.36Å; D232-T234 PolarHBondContact OD1-OG1 2.68Å; D232-T234 PolarHBondContact OD2-OG1 2.81Å; D232-G235 PolarHBondContact O-N 3.06Å; D232-G235 VanDerWaalsContact O-N 3.13Å; D232-G235 PolarHBondContact OD1-N 3.16Å; D232-S236 PolarHBondContact N-O 3.18Å; D232-S236 PolarHBondContact OD1-N 2.87Å | ||
| 233 | K | 87.1 | Confident | 88.9 | Confident | 146 Ų | 146 | 35.9 Ų | 35.9 | 64% | 0.635 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -3.1 | 177.1 | 68.3 | -179.8 | 179.6 | -177.7 | 0 | 115.4 | I144 Y228 | I144-K233 HydrophobicContact CD1-CB 4.3Å; Y228-K233 HydrophobicContact CE1-CB 4.27Å; Y228-K233 HydrophobicContact CE2-CB 4.28Å |
| 234 | T | 84.4 | Confident | 89.7 | Confident | 95 Ų | 95 | 35 Ų | 35 | 58% | 0.583 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -8.2 | 175 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | D232 S236 | D232-T234 VanDerWaalsContact CG-OG1 3.31Å; D232-T234 PolarHBondContact O-N 2.94Å; D232-T234 VanDerWaalsContact O-N 3.09Å; D232-T234 VanDerWaalsContact OD1-CA 3.31Å; D232-T234 WeakPolarHBondContact OD1-CA 3.46Å; D232-T234 WeakPolarHBondContact OD1-CB 3.3Å; D232-T234 PolarHBondContact OD1-N 3.36Å; D232-T234 PolarHBondContact OD1-OG1 2.68Å; D232-T234 PolarHBondContact OD2-OG1 2.81Å; T234-S236 VanDerWaalsContact C-N 3.31Å; T234-S236 WeakPolarHBondContact OG1-CB 3.35Å; T234-S236 PolarHBondContact OG1-N 2.87Å; T234-S236 PolarHBondContact OG1-OG 2.95Å |
| 235 | G | 81.9 | Confident | 90.1 | Very high | 11 Ų | 11 | 29.6 Ų | 29.6 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 85.5 | 0.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D232 | D232-G235 PolarHBondContact O-N 3.06Å; D232-G235 VanDerWaalsContact O-N 3.13Å; D232-G235 PolarHBondContact OD1-N 3.16Å |
| 236 | S | 85.7 | Confident | 90.4 | Very high | 68 Ų | 68 | 29.6 Ų | 29.6 | 48% | 0.476 | 17% | 0.17 | S | C | . | . | trans | -71.7 | 136.8 | 174.4 | -59.7 | 0 | 0 | 0 | 0 | 109.7 | Q231 D232 T234 S238 | Q231-S236 CarbonylContact C-O 3.5Å; Q231-S236 VanDerWaalsContact CA-O 3.25Å; Q231-S236 WeakPolarHBondContact CA-O 3.24Å; D232-S236 PolarHBondContact N-O 3.18Å; D232-S236 PolarHBondContact OD1-N 2.87Å; T234-S236 VanDerWaalsContact C-N 3.31Å; T234-S236 WeakPolarHBondContact OG1-CB 3.35Å; T234-S236 PolarHBondContact OG1-N 2.87Å; T234-S236 PolarHBondContact OG1-OG 2.95Å; S236-S238 PolarHBondContact O-N 2.83Å; S236-S238 VanDerWaalsContact O-N 3.09Å | ||
| 237 | A | 86.5 | Confident | 90.5 | Very high | 46 Ų | 46 | 27.6 Ų | 27.6 | 38% | 0.38 | 16% | 0.16 | S | C | . | . | B | Isolated β-bridge | trans | -60.6 | 115 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y102 L230 | Y102-A237 HydrophobicContact CD1-CB 3.9Å; Y102-A237 HydrophobicContact CE1-CB 4.2Å; L230-A237 CarbonylContact O-C 3.45Å; L230-A237 WeakPolarHBondContact O-CA 3.07Å |
| 238 | S | 89.8 | Confident | 90.5 | Very high | 22 Ų | 22 | 27.7 Ų | 27.7 | 15% | 0.154 | 16% | 0.161 | C | C | . | . | trans | -89.7 | -4.7 | -177.8 | 63.7 | 0 | 0 | 0 | 0 | 113.3 | Q138 K139 L230 Q231 S236 | Q138-S238 CarbonylContact C-O 3.52Å; Q138-S238 WeakPolarHBondContact CA-O 3.5Å; Q138-S238 WeakPolarHBondContact CB-O 3.3Å; K139-S238 PolarHBondContact N-O 2.99Å; K139-S238 CarbonylContact O-C 3.58Å; K139-S238 WeakPolarHBondContact O-CB 3.46Å; K139-S238 PolarHBondContact O-OG 2.83Å; L230-S238 PolarHBondContact O-N 3.44Å; L230-S238 PolarHBondContact O-OG 3.28Å; Q231-S238 VanDerWaalsContact C-OG 3.31Å; Q231-S238 PolarHBondContact N-OG 2.88Å; Q231-S238 PolarHBondContact O-OG 3.32Å; S236-S238 PolarHBondContact O-N 2.83Å; S236-S238 VanDerWaalsContact O-N 3.09Å | ||
| 239 | F | 90.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | trans | -138.3 | 129.7 | -179.6 | 171.3 | -93.2 | 0 | 0 | 0 | 110.9 | V130 L132 I140 V156 L230 I243 | V130-F239 HydrophobicContact CB-CE2 4.47Å; V130-F239 HydrophobicContact CB-CZ 4.22Å; V130-F239 HydrophobicContact CG1-CE2 4.04Å; V130-F239 HydrophobicContact CG1-CZ 3.84Å; L132-F239 HydrophobicContact CD2-CE2 3.59Å; L132-F239 HydrophobicContact CD2-CZ 4.18Å; I140-F239 HydrophobicContact CG1-CD2 4.08Å; I140-F239 HydrophobicContact CG1-CE2 4.44Å; V156-F239 HydrophobicContact CG2-CD2 4.17Å; V156-F239 HydrophobicContact CG2-CE2 4.05Å; L230-F239 HydrophobicContact CD2-CB 4.09Å; L230-F239 HydrophobicContact CD2-CD1 3.92Å; L230-F239 HydrophobicContact CD2-CG 4.09Å; F239-I243 HydrophobicContact CE1-CB 4.13Å; F239-I243 HydrophobicContact CE1-CG2 4.42Å; F239-I243 HydrophobicContact CZ-CB 4.33Å | ||
| 240 | S | 88.7 | Confident | 90.2 | Very high | 38 Ų | 38 | 28.6 Ų | 28.6 | 27% | 0.266 | 17% | 0.17 | S | C | . | . | trans | -121.6 | 103.6 | 177.8 | -168.2 | 0 | 0 | 0 | 0 | 110.4 | K133 H134 | K133-S240 PolarHBondContact N-O 3.12Å; H134-S240 PolarHBondContact CE1-OG 3.17Å; H134-S240 VanDerWaalsContact ND1-CB 3.35Å; H134-S240 WeakPolarHBondContact ND1-CB 3.43Å; H134-S240 PolarHBondContact ND1-OG 3.15Å | ||
| 241 | G | 90.5 | Very high | 90 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.7 | -164.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110 | S101 R131 | S101-G241 WeakPolarHBondContact CA-O 3.48Å; S101-G241 WeakPolarHBondContact CB-O 3.39Å; S101-G241 PolarHBondContact OG-O 2.87Å; S101-G241 VanDerWaalsContact OG-O 3.14Å; R131-G241 CarbonylContact O-C 3.59Å; R131-G241 WeakPolarHBondContact O-CA 3.35Å |
| 242 | A | 92.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 144.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q84 A99 Y100 V130 R131 W186 | Q84-A242 VanDerWaalsContact OE1-CB 3.32Å; A99-A242 HydrophobicContact CB-CB 4.45Å; Y100-A242 CarbonylContact O-C 3.46Å; Y100-A242 WeakPolarHBondContact O-CA 3.13Å; V130-A242 CarbonylContact C-O 3.58Å; V130-A242 VanDerWaalsContact CA-O 3.31Å; V130-A242 WeakPolarHBondContact CA-O 3.41Å; R131-A242 HydrophobicContact CB-CB 4.31Å; R131-A242 PolarHBondContact N-O 3.42Å; R131-A242 PolarHBondContact O-N 3.09Å; W186-A242 HydrophobicContact CH2-CB 3.6Å; W186-A242 HydrophobicContact CZ2-CB 4.07Å; W186-A242 HydrophobicContact CZ3-CB 4.43Å |
| 243 | I | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.8 | 173.6 | -169.3 | 169.6 | 0 | 0 | 0 | 109.7 | L68 Y100 T128 V130 I140 L230 F239 L246 | L68-I243 HydrophobicContact CD1-CG1 4.21Å; L68-I243 HydrophobicContact CD1-CG2 4.17Å; L68-I243 HydrophobicContact CD2-CG2 4.16Å; Y100-I243 PolarHBondContact N-O 3.12Å; Y100-I243 PolarHBondContact O-N 3.23Å; T128-I243 WeakPolarHBondContact OG1-CD1 3.47Å; V130-I243 HydrophobicContact CG1-CB 4.01Å; V130-I243 HydrophobicContact CG1-CD1 3.94Å; V130-I243 HydrophobicContact CG1-CG1 3.67Å; I140-I243 HydrophobicContact CG2-CD1 3.59Å; L230-I243 HydrophobicContact CD1-CG2 3.67Å; L230-I243 HydrophobicContact CD2-CD1 4.12Å; L230-I243 HydrophobicContact CD2-CG2 4.03Å; L230-I243 HydrophobicContact CG-CG2 4.5Å; F239-I243 HydrophobicContact CE1-CB 4.13Å; F239-I243 HydrophobicContact CE1-CG2 4.42Å; F239-I243 HydrophobicContact CZ-CB 4.33Å; I243-L246 HydrophobicContact CD1-CB 4.06Å; I243-L246 HydrophobicContact CD1-CD2 4.44Å |
| 244 | E | 92.2 | Very high | 90.4 | Very high | 21 Ų | 21 | 25.4 Ų | 25.4 | 10% | 0.098 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -36.5 | 178.6 | 178.2 | -176.3 | 136.8 | 0 | 0 | 111.4 | G86 F87 N97 A99 T129 W186 | G86-E244 VanDerWaalsContact CA-OE2 3.24Å; G86-E244 WeakPolarHBondContact CA-OE2 3.37Å; F87-E244 WeakPolarHBondContact CB-OE2 3.05Å; F87-E244 PolarHBondContact N-OE2 2.89Å; N97-E244 HydrophobicContact CB-CG 4.14Å; N97-E244 WeakPolarHBondContact CB-OE1 3.35Å; N97-E244 PolarHBondContact ND2-OE1 2.83Å; A99-E244 HydrophobicContact CB-CB 4.28Å; T129-E244 HydrophobicContact CG2-CB 4.24Å; T129-E244 PolarHBondContact O-N 3.02Å; W186-E244 HydrophobicContact CH2-CB 4.39Å; W186-E244 HydrophobicContact CZ3-CB 4.24Å |
| 245 | Q | 91.9 | Very high | 90.9 | Very high | 25 Ų | 25 | 20.9 Ų | 20.9 | 12% | 0.117 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 140.1 | -167.6 | 179.9 | 171 | 81.6 | 0 | 0 | 110.3 | T128 T129 L247 Y262 S263 | T128-Q245 WeakPolarHBondContact CA-O 3.43Å; T128-Q245 WeakPolarHBondContact CB-O 3.46Å; T128-Q245 PolarHBondContact OG1-O 2.91Å; T129-Q245 PolarHBondContact N-O 3.28Å; Q245-L247 HydrophobicContact CG-CD1 4.13Å; Q245-L247 HydrophobicContact CG-CD2 4.26Å; Q245-L247 HydrophobicContact CG-CG 3.74Å; Q245-Y262 PolarHBondContact NE2-O 2.89Å; Q245-Y262 PolarHBondContact OE1-O 3.15Å; Q245-S263 PolarHBondContact OE1-OG 3.06Å |
| 246 | L | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 98.3 | 169.4 | -174.6 | 61.9 | 0 | 0 | 0 | 109.2 | L67 L68 L127 I140 F141 I229 I243 | L67-L246 HydrophobicContact CB-CB 4.15Å; L67-L246 HydrophobicContact CB-CD2 3.7Å; L67-L246 HydrophobicContact CB-CG 3.81Å; L67-L246 WeakPolarHBondContact CB-O 3.35Å; L67-L246 HydrophobicContact CD1-CD2 3.91Å; L67-L246 HydrophobicContact CD1-CG 4.08Å; L67-L246 HydrophobicContact CG-CD2 4.39Å; L67-L246 HydrophobicContact CG-CG 4.33Å; L67-L246 PolarHBondContact N-O 2.79Å; L68-L246 HydrophobicContact CD2-CB 4.43Å; L68-L246 HydrophobicContact CG-CB 4.04Å; L127-L246 CarbonylContact O-C 3.51Å; L127-L246 WeakPolarHBondContact O-CA 3.47Å; I140-L246 HydrophobicContact CG2-CD1 4.03Å; I140-L246 HydrophobicContact CG2-CD2 3.66Å; I140-L246 HydrophobicContact CG2-CG 4.45Å; F141-L246 HydrophobicContact CB-CD2 4.46Å; F141-L246 HydrophobicContact CD1-CD1 4.37Å; F141-L246 HydrophobicContact CD1-CD2 4.3Å; I229-L246 HydrophobicContact CG2-CD2 3.8Å; I243-L246 HydrophobicContact CD1-CB 4.06Å; I243-L246 HydrophobicContact CD1-CD2 4.44Å |
| 247 | L | 94.9 | Very high | 91.7 | Very high | 11 Ų | 11 | 25.2 Ų | 25.2 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 140.6 | -177 | -52.7 | -179.2 | 0 | 0 | 0 | 111.1 | I64 I65 D66 I126 L127 Q245 I249 Y262 | I64-L247 HydrophobicContact CG2-CB 4.32Å; I64-L247 HydrophobicContact CG2-CD1 4.39Å; I64-L247 HydrophobicContact CG2-CD2 4.41Å; I65-L247 WeakPolarHBondContact O-CA 3.35Å; D66-L247 HydrophobicContact CB-CD2 3.68Å; I126-L247 WeakPolarHBondContact CA-O 3.39Å; L127-L247 HydrophobicContact CB-CB 4.39Å; L127-L247 PolarHBondContact N-O 3.24Å; L127-L247 PolarHBondContact O-N 2.84Å; Q245-L247 HydrophobicContact CG-CD1 4.13Å; Q245-L247 HydrophobicContact CG-CD2 4.26Å; Q245-L247 HydrophobicContact CG-CG 3.74Å; L247-I249 HydrophobicContact CB-CG1 4.27Å; L247-Y262 HydrophobicContact CD1-CD1 3.71Å; L247-Y262 HydrophobicContact CD1-CE1 4.43Å; L247-Y262 HydrophobicContact CD1-CG 4.16Å |
| 248 | I | 94.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.5 | 159.6 | -63.1 | 178.2 | 0 | 0 | 0 | 108 | I65 L67 F116 F120 F124 S125 I126 F141 | I65-I248 HydrophobicContact CB-CB 4.44Å; I65-I248 PolarHBondContact N-O 2.89Å; I65-I248 PolarHBondContact O-N 3.34Å; L67-I248 HydrophobicContact CD1-CD1 3.88Å; L67-I248 HydrophobicContact CD1-CG1 4.26Å; L67-I248 HydrophobicContact CG-CD1 4.4Å; L67-I248 HydrophobicContact CG-CG1 4.5Å; F116-I248 HydrophobicContact CE1-CD1 3.93Å; F116-I248 HydrophobicContact CZ-CD1 3.91Å; F120-I248 HydrophobicContact CE2-CG2 4.1Å; F120-I248 HydrophobicContact CZ-CG2 4.09Å; F124-I248 HydrophobicContact CD2-CG2 4.31Å; S125-I248 WeakPolarHBondContact O-CA 3.48Å; I126-I248 HydrophobicContact CG1-CG1 4.48Å; F141-I248 HydrophobicContact CZ-CD1 4.38Å |
| 249 | I | 92.7 | Very high | 91.7 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.9 | -175 | -58 | 179 | 0 | 0 | 0 | 108.7 | I64 F124 S125 L127 L247 T251 Y262 | I64-I249 HydrophobicContact CD1-CD1 4.26Å; I64-I249 HydrophobicContact CD1-CG1 4.07Å; I64-I249 HydrophobicContact CD1-CG2 4.21Å; I64-I249 HydrophobicContact CG1-CG1 4.23Å; I64-I249 HydrophobicContact CG1-CG2 4.27Å; I64-I249 HydrophobicContact CG2-CG1 3.99Å; F124-I249 CarbonylContact C-O 3.53Å; F124-I249 VanDerWaalsContact CA-O 3.28Å; F124-I249 WeakPolarHBondContact CA-O 3.27Å; F124-I249 VanDerWaalsContact CB-O 3.31Å; F124-I249 WeakPolarHBondContact CB-O 3.4Å; S125-I249 PolarHBondContact N-O 3.44Å; S125-I249 PolarHBondContact O-N 3.25Å; L127-I249 HydrophobicContact CD1-CD1 3.78Å; L127-I249 HydrophobicContact CD1-CG1 4.3Å; L127-I249 HydrophobicContact CD2-CD1 3.45Å; L127-I249 VanDerWaalsContact CD2-CD1 3.45Å; L127-I249 HydrophobicContact CG-CD1 4.21Å; L247-I249 HydrophobicContact CB-CG1 4.27Å; I249-T251 PolarHBondContact O-N 2.85Å; I249-Y262 HydrophobicContact CD1-CD1 4.3Å; I249-Y262 HydrophobicContact CD1-CD2 3.96Å; I249-Y262 HydrophobicContact CD1-CE1 3.89Å; I249-Y262 HydrophobicContact CD1-CE2 3.5Å; I249-Y262 HydrophobicContact CD1-CG 4.35Å; I249-Y262 VanDerWaalsContact CD1-CZ 3.49Å |
| 250 | P | 90.6 | Very high | 91.5 | Very high | 47 Ų | 47 | 28 Ų | 28 | 31% | 0.305 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -79 | 25.1 | -173.9 | 36.2 | -40.5 | 0 | 0 | 0 | 113.8 | D63 P121 D123 | D63-P250 HydrophobicContact CB-CG 3.77Å; D63-P250 WeakPolarHBondContact O-CD 3.39Å; P121-P250 HydrophobicContact CB-CB 4.18Å; P121-P250 HydrophobicContact CG-CB 3.96Å; D123-P250 CarbonylContact O-C 3.42Å |
| 251 | T | 88.9 | Confident | 91.2 | Very high | 55 Ų | 55 | 29.5 Ų | 29.5 | 34% | 0.337 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -138.8 | 149.9 | 171.2 | 71.1 | 0 | 0 | 0 | 0 | 109.7 | F124 S125 I249 S253 | F124-T251 CarbonylContact C-O 3.5Å; S125-T251 WeakPolarHBondContact CB-O 3.4Å; S125-T251 PolarHBondContact N-O 3.46Å; S125-T251 VanDerWaalsContact N-O 3.16Å; S125-T251 PolarHBondContact OG-O 3.03Å; I249-T251 PolarHBondContact O-N 2.85Å; T251-S253 PolarHBondContact O-N 3.39Å; T251-S253 PolarHBondContact OG1-OG 3.3Å |
| 252 | P | 92.2 | Very high | 91 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 14% | 0.143 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -71.3 | -17 | 171.4 | -17.2 | 30.8 | 0 | 0 | 0 | 113.4 | D123 S192 I193 K194 G254 | D123-P252 HydrophobicContact CB-CG 3.71Å; S192-P252 VanDerWaalsContact OG-CB 3.31Å; S192-P252 WeakPolarHBondContact OG-CB 3.42Å; S192-P252 PolarHBondContact OG-O 3.27Å; I193-P252 WeakPolarHBondContact O-CG 3.16Å; K194-P252 HydrophobicContact CB-CB 3.87Å; K194-P252 HydrophobicContact CB-CG 3.83Å; K194-P252 HydrophobicContact CD-CB 4.48Å; K194-P252 HydrophobicContact CD-CG 4.46Å; K194-P252 HydrophobicContact CG-CB 4.34Å; K194-P252 HydrophobicContact CG-CG 3.99Å; P252-G254 VanDerWaalsContact C-N 3.35Å |
| 253 | S | 91.2 | Very high | 90.6 | Very high | 60 Ų | 60 | 31.3 Ų | 31.3 | 42% | 0.42 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -67.4 | -34.3 | -177.5 | 67.6 | 0 | 0 | 0 | 0 | 112.5 | T251 A255 Y256 D257 | T251-S253 PolarHBondContact O-N 3.39Å; T251-S253 PolarHBondContact OG1-OG 3.3Å; S253-A255 PolarHBondContact O-N 2.99Å; S253-Y256 WeakPolarHBondContact O-CB 3.06Å; S253-Y256 PolarHBondContact O-N 2.75Å; S253-D257 PolarHBondContact O-N 2.68Å |
| 254 | G | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -52.3 | -35.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L127 P252 Y256 D257 Q258 | L127-G254 VanDerWaalsContact CD2-O 3.23Å; L127-G254 WeakPolarHBondContact CD2-O 3.25Å; P252-G254 VanDerWaalsContact C-N 3.35Å; G254-Y256 VanDerWaalsContact C-N 3.3Å; G254-Y256 PolarHBondContact O-N 2.69Å; G254-D257 CarbonylContact O-C 3.57Å; G254-D257 WeakPolarHBondContact O-CA 3.43Å; G254-D257 WeakPolarHBondContact O-CB 3.14Å; G254-D257 PolarHBondContact O-N 2.91Å; G254-Q258 PolarHBondContact O-N 3.07Å; G254-Q258 VanDerWaalsContact O-N 3.15Å |
| 255 | A | 94.3 | Very high | 89 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -59.7 | -35.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S125 L127 A190 I201 S253 Q258 | S125-A255 PolarHBondContact OG-N 3.3Å; L127-A255 HydrophobicContact CD1-CB 4.38Å; A190-A255 HydrophobicContact CB-CB 3.72Å; I201-A255 HydrophobicContact CD1-CB 4.04Å; S253-A255 PolarHBondContact O-N 2.99Å; A255-Q258 WeakPolarHBondContact O-CB 3.29Å |
| 256 | Y | 94 | Very high | 87.3 | Confident | 122 Ų | 122 | 36 Ų | 36 | 48% | 0.478 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -76.4 | -30.2 | 175.6 | -59.5 | -92.5 | 0 | 0 | 0 | 111 | S192 I201 V206 S253 G254 Q258 | S192-Y256 WeakPolarHBondContact OG-CE2 3.24Å; I201-Y256 HydrophobicContact CD1-CD1 3.58Å; I201-Y256 HydrophobicContact CD1-CD2 4.19Å; I201-Y256 HydrophobicContact CD1-CE1 3.69Å; I201-Y256 HydrophobicContact CD1-CE2 4.29Å; I201-Y256 HydrophobicContact CD1-CG 3.84Å; V206-Y256 HydrophobicContact CG2-CD1 4.42Å; V206-Y256 HydrophobicContact CG2-CE1 3.95Å; S253-Y256 WeakPolarHBondContact O-CB 3.06Å; S253-Y256 PolarHBondContact O-N 2.75Å; G254-Y256 VanDerWaalsContact C-N 3.3Å; G254-Y256 PolarHBondContact O-N 2.69Å; Y256-Q258 PolarHBondContact O-N 2.85Å |
| 257 | D | 91.5 | Very high | 85.2 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -77.8 | -0.9 | 176.6 | -56.4 | -43.8 | 0 | 0 | 0 | 113.3 | S253 G254 C259 T260 V261 Y262 | S253-D257 PolarHBondContact O-N 2.68Å; G254-D257 CarbonylContact O-C 3.57Å; G254-D257 WeakPolarHBondContact O-CA 3.43Å; G254-D257 WeakPolarHBondContact O-CB 3.14Å; G254-D257 PolarHBondContact O-N 2.91Å; D257-C259 PolarHBondContact O-N 3.18Å; D257-C259 VanDerWaalsContact O-N 3.14Å; D257-T260 WeakPolarHBondContact CA-OG1 3.19Å; D257-T260 PolarHBondContact O-N 2.98Å; D257-T260 VanDerWaalsContact O-N 3.11Å; D257-T260 PolarHBondContact O-OG1 2.8Å; D257-V261 HydrophobicContact CB-CB 4.18Å; D257-V261 HydrophobicContact CB-CG2 4Å; D257-V261 PolarHBondContact O-N 3.23Å; D257-Y262 HydrophobicContact CB-CD2 4.09Å; D257-Y262 HydrophobicContact CB-CE2 3.77Å; D257-Y262 PolarHBondContact O-N 2.84Å |
| 258 | Q | 89.3 | Confident | 82.8 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 2% | 0.023 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -55.1 | -35.9 | -176.1 | 176.1 | 58.8 | 2 | 0 | 0 | 113 | L127 T129 R188 A190 G254 A255 Y256 Y262 S263 | L127-Q258 HydrophobicContact CD2-CB 4.09Å; L127-Q258 HydrophobicContact CG-CB 4.43Å; T129-Q258 PolarHBondContact OG1-NE2 3.18Å; T129-Q258 VanDerWaalsContact OG1-NE2 3.16Å; R188-Q258 HydrophobicContact CB-CG 4.09Å; A190-Q258 HydrophobicContact CB-CB 4.33Å; G254-Q258 PolarHBondContact O-N 3.07Å; G254-Q258 VanDerWaalsContact O-N 3.15Å; A255-Q258 WeakPolarHBondContact O-CB 3.29Å; Y256-Q258 PolarHBondContact O-N 2.85Å; Q258-Y262 VanDerWaalsContact OE1-CB 3.29Å; Q258-S263 PolarHBondContact NE2-OG 3.46Å; Q258-S263 WeakPolarHBondContact O-CA 2.95Å; Q258-S263 PolarHBondContact O-N 2.71Å |
| 259 | C | 87.6 | Confident | 80.8 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 18% | 0.176 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -95.8 | -7.4 | -178.7 | -65.5 | 0 | 0 | 0 | 0 | 114.9 | C204 D257 P264 | C204-C259 WeakPolarHBondContact CA-SG 3.04Å; C204-C259 HydrophobicContact CB-CB 3.8Å; C204-C259 WeakPolarHBondContact CB-SG 3.45Å; C204-C259 PolarHBondContact N-SG 2.89Å; C204-C259 WeakPolarHBondContact SG-CB 3.36Å; C204-C259 CovalentContact SG-SG 2.03Å; C204-C259 PolarHBondContact SG-SG 3.32Å; D257-C259 PolarHBondContact O-N 3.18Å; D257-C259 VanDerWaalsContact O-N 3.14Å; C259-P264 WeakPolarHBondContact O-CA 3.39Å |
| 260 | T | 85.9 | Confident | 78.7 | Confident | 98 Ų | 98 | 51.8 Ų | 51.8 | 60% | 0.601 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | -27.3 | -177.2 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | D257 | D257-T260 WeakPolarHBondContact CA-OG1 3.19Å; D257-T260 PolarHBondContact O-N 2.98Å; D257-T260 VanDerWaalsContact O-N 3.11Å; D257-T260 PolarHBondContact O-OG1 2.8Å |
| 261 | V | 82.7 | Confident | 76.3 | Confident | 69 Ų | 69 | 55 Ų | 55 | 42% | 0.418 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -43.1 | -175.3 | -178.3 | 0 | 0 | 0 | 0 | 112.5 | D257 | D257-V261 HydrophobicContact CB-CB 4.18Å; D257-V261 HydrophobicContact CB-CG2 4Å; D257-V261 PolarHBondContact O-N 3.23Å |
| 262 | Y | 85.4 | Confident | 74 | Confident | 42 Ų | 42 | 52.6 Ų | 52.6 | 17% | 0.165 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -29.6 | -166.3 | -58.7 | -69.4 | 0 | 0 | 0 | 115.4 | F61 I64 L127 Q245 L247 I249 D257 Q258 | F61-Y262 HydrophobicContact CE1-CE1 4.15Å; I64-Y262 HydrophobicContact CD1-CE1 3.6Å; I64-Y262 WeakPolarHBondContact CD1-OH 3.15Å; L127-Y262 HydrophobicContact CD2-CD2 3.45Å; L127-Y262 VanDerWaalsContact CD2-CD2 3.45Å; L127-Y262 HydrophobicContact CD2-CE2 4.11Å; L127-Y262 HydrophobicContact CD2-CG 3.88Å; Q245-Y262 PolarHBondContact NE2-O 2.89Å; Q245-Y262 PolarHBondContact OE1-O 3.15Å; L247-Y262 HydrophobicContact CD1-CD1 3.71Å; L247-Y262 HydrophobicContact CD1-CE1 4.43Å; L247-Y262 HydrophobicContact CD1-CG 4.16Å; I249-Y262 HydrophobicContact CD1-CD1 4.3Å; I249-Y262 HydrophobicContact CD1-CD2 3.96Å; I249-Y262 HydrophobicContact CD1-CE1 3.89Å; I249-Y262 HydrophobicContact CD1-CE2 3.5Å; I249-Y262 HydrophobicContact CD1-CG 4.35Å; I249-Y262 VanDerWaalsContact CD1-CZ 3.49Å; D257-Y262 HydrophobicContact CB-CD2 4.09Å; D257-Y262 HydrophobicContact CB-CE2 3.77Å; D257-Y262 PolarHBondContact O-N 2.84Å; Q258-Y262 VanDerWaalsContact OE1-CB 3.29Å |
| 263 | S | 85 | Confident | 71.7 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -139.8 | 61.6 | 170.4 | -71.4 | 0 | 0 | 0 | 0 | 112.1 | T129 R188 Q245 Q258 C265 | T129-S263 PolarHBondContact OG1-OG 3.4Å; T129-S263 VanDerWaalsContact OG1-OG 3.06Å; R188-S263 PolarHBondContact NH1-O 2.8Å; Q245-S263 PolarHBondContact OE1-OG 3.06Å; Q258-S263 PolarHBondContact NE2-OG 3.46Å; Q258-S263 WeakPolarHBondContact O-CA 2.95Å; Q258-S263 PolarHBondContact O-N 2.71Å; S263-C265 PolarHBondContact O-N 3.11Å |
| 264 | P | 78.5 | Confident | 69.3 | Low | 75 Ų | 75 | 59.3 Ų | 59.3 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | trans | -86.8 | 96.6 | -178.6 | 35.2 | -33.2 | 0 | 0 | 0 | 112.4 | C259 | C259-P264 WeakPolarHBondContact O-CA 3.39Š| ||
| 265 | C | 72.2 | Confident | 66.6 | Low | 24 Ų | 24 | 66.4 Ų | 66.4 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | trans | -131.9 | 145.2 | 173.8 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | F87 C88 S263 | F87-C265 HydrophobicContact CD1-CB 4.42Å; F87-C265 HydrophobicContact CE1-CB 4.19Å; C88-C265 HydrophobicContact CB-CB 3.97Å; C88-C265 WeakPolarHBondContact CB-SG 3.42Å; C88-C265 WeakPolarHBondContact SG-CB 3.45Å; C88-C265 CovalentContact SG-SG 2.02Å; C88-C265 PolarHBondContact SG-SG 2.91Å; S263-C265 PolarHBondContact O-N 3.11Å | ||
| 266 | S | 55.9 | Low | 63.8 | Low | 46 Ų | 46 | 67.6 Ų | 67.6 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | trans | -79 | 157.5 | -167 | 76.3 | 0 | 0 | 0 | 0 | 112.4 | T268 D269 | S266-T268 WeakPolarHBondContact CB-OG1 3.46Å; S266-T268 PolarHBondContact O-N 3.29Å; S266-T268 PolarHBondContact OG-N 3.44Å; S266-T268 PolarHBondContact OG-OG1 2.87Å; S266-D269 VanDerWaalsContact CB-OD2 3.27Å; S266-D269 WeakPolarHBondContact CB-OD2 3.46Å; S266-D269 PolarHBondContact N-OD2 2.73Å; S266-D269 PolarHBondContact O-N 2.81Å; S266-D269 VanDerWaalsContact O-N 3.13Å; S266-D269 PolarHBondContact OG-N 3.32Å; S266-D269 VanDerWaalsContact OG-N 3.17Å; S266-D269 PolarHBondContact OG-OD2 2.94Å | ||
| 267 | E | 52.6 | Low | 61.4 | Low | 154 Ų | 154 | 67.9 Ų | 67.9 | 72% | 0.72 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.5 | 173.7 | -58.6 | -129.6 | 106.6 | 0 | 0 | 112.2 | K270 | E267-K270 WeakPolarHBondContact O-CB 3.36Å; E267-K270 IonicContact OE1-NZ 2.87Å; E267-K270 PolarHBondContact OE1-NZ 3.34Å |
| 268 | T | 44.4 | Very low | 58.4 | Low | 94 Ų | 94 | 73.6 Ų | 73.6 | 58% | 0.577 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -30.1 | 171.6 | 29.1 | 0 | 0 | 0 | 0 | 113.5 | S266 K270 T271 | S266-T268 WeakPolarHBondContact CB-OG1 3.46Å; S266-T268 PolarHBondContact O-N 3.29Å; S266-T268 PolarHBondContact OG-N 3.44Å; S266-T268 PolarHBondContact OG-OG1 2.87Å; T268-K270 VanDerWaalsContact C-N 3.28Å; T268-K270 PolarHBondContact O-N 3.06Å; T268-T271 WeakPolarHBondContact O-CG2 3.49Å; T268-T271 PolarHBondContact O-N 2.98Å; T268-T271 PolarHBondContact O-OG1 2.91Å |
| 269 | D | 50.7 | Low | 55.9 | Low | 29 Ų | 29 | 78.3 Ų | 78.3 | 16% | 0.155 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -72.1 | -22.6 | 178.1 | -60 | -49.7 | 0 | 0 | 0 | 112.7 | S266 T271 G272 | S266-D269 VanDerWaalsContact CB-OD2 3.27Å; S266-D269 WeakPolarHBondContact CB-OD2 3.46Å; S266-D269 PolarHBondContact N-OD2 2.73Å; S266-D269 PolarHBondContact O-N 2.81Å; S266-D269 VanDerWaalsContact O-N 3.13Å; S266-D269 PolarHBondContact OG-N 3.32Å; S266-D269 VanDerWaalsContact OG-N 3.17Å; S266-D269 PolarHBondContact OG-OD2 2.94Å; D269-T271 PolarHBondContact O-N 3.4Å; D269-G272 PolarHBondContact O-N 3.06Å; D269-G272 VanDerWaalsContact O-N 3.16Å |
| 270 | K | 48.6 | Very low | 53.3 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 30% | 0.304 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -62.7 | -11.4 | 175.9 | -60.4 | 178.9 | 178.5 | 178 | 0 | 113.6 | E267 T268 G272 D273 | E267-K270 WeakPolarHBondContact O-CB 3.36Å; E267-K270 IonicContact OE1-NZ 2.87Å; E267-K270 PolarHBondContact OE1-NZ 3.34Å; T268-K270 VanDerWaalsContact C-N 3.28Å; T268-K270 PolarHBondContact O-N 3.06Å; K270-G272 PolarHBondContact O-N 2.85Å; K270-D273 WeakPolarHBondContact O-CB 3.35Å; K270-D273 PolarHBondContact O-N 2.71Å |
| 271 | T | 40.3 | Very low | 50.7 | Low | 116 Ų | 116 | 87.5 Ų | 87.5 | 71% | 0.712 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -60.9 | -11.6 | 171.2 | 54.4 | 0 | 0 | 0 | 0 | 113.4 | T268 D269 | T268-T271 WeakPolarHBondContact O-CG2 3.49Å; T268-T271 PolarHBondContact O-N 2.98Å; T268-T271 PolarHBondContact O-OG1 2.91Å; D269-T271 PolarHBondContact O-N 3.4Å |
| 272 | G | 40.5 | Very low | 48.2 | Very low | 4 Ų | 4 | 90.7 Ų | 90.7 | 4% | 0.041 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -77.7 | -10 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | D269 K270 E274 M275 Q276 | D269-G272 PolarHBondContact O-N 3.06Å; D269-G272 VanDerWaalsContact O-N 3.16Å; K270-G272 PolarHBondContact O-N 2.85Å; G272-E274 VanDerWaalsContact C-N 3.32Å; G272-E274 PolarHBondContact O-N 2.93Å; G272-M275 CarbonylContact O-C 3.55Å; G272-M275 WeakPolarHBondContact O-CA 3.49Å; G272-M275 PolarHBondContact O-N 3.11Å; G272-Q276 PolarHBondContact O-N 3.38Å |
| 273 | D | 44.4 | Very low | 45.5 | Very low | 51 Ų | 51 | 99.2 Ų | 99.2 | 27% | 0.273 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -35.7 | -177.8 | -87.1 | -31 | 0 | 0 | 0 | 112.6 | K270 M275 Q276 L277 | K270-D273 WeakPolarHBondContact O-CB 3.35Å; K270-D273 PolarHBondContact O-N 2.71Å; D273-M275 PolarHBondContact O-N 3.29Å; D273-Q276 PolarHBondContact O-N 2.81Å; D273-L277 WeakPolarHBondContact O-CG 3.27Å; D273-L277 PolarHBondContact O-N 3.42Å |
| 274 | E | 40.5 | Very low | 43 | Very low | 172 Ų | 172 | 108.3 Ų | 108.3 | 80% | 0.804 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.6 | -20.6 | 173.3 | -71.1 | -163 | 131.6 | 0 | 0 | 113.2 | G272 | G272-E274 VanDerWaalsContact C-N 3.32Å; G272-E274 PolarHBondContact O-N 2.93Å |
| 275 | M | 33.6 | Very low | 40.8 | Very low | 149 Ų | 149 | 112.2 Ų | 112.2 | 73% | 0.734 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -93.9 | -30.2 | 175.6 | -63.1 | -165.7 | -64.9 | 0 | 0 | 112.8 | G272 D273 L277 Q278 | G272-M275 CarbonylContact O-C 3.55Å; G272-M275 WeakPolarHBondContact O-CA 3.49Å; G272-M275 PolarHBondContact O-N 3.11Å; D273-M275 PolarHBondContact O-N 3.29Å; M275-L277 VanDerWaalsContact C-N 3.26Å; M275-L277 PolarHBondContact O-N 2.02Å; M275-Q278 PolarHBondContact O-N 2.74Å |
| 276 | Q | 36.9 | Very low | 38.7 | Very low | 26 Ų | 26 | 117.1 Ų | 117.1 | 12% | 0.121 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -76.4 | -9.5 | 174.8 | -72.1 | -162.4 | 4.7 | 0 | 0 | 114 | G86 G272 D273 Q278 | G86-Q276 PolarHBondContact O-NE2 3.39Å; G86-Q276 PolarHBondContact O-OE1 2.89Å; G272-Q276 PolarHBondContact O-N 3.38Å; D273-Q276 PolarHBondContact O-N 2.81Å; Q276-Q278 PolarHBondContact O-N 3.42Å |
| 277 | L | 42 | Very low | 37.6 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 67% | 0.665 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -0.1 | 168.4 | -75.5 | 167.3 | 0 | 0 | 0 | 113.3 | D273 M275 | D273-L277 WeakPolarHBondContact O-CG 3.27Å; D273-L277 PolarHBondContact O-N 3.42Å; M275-L277 VanDerWaalsContact C-N 3.26Å; M275-L277 PolarHBondContact O-N 2.02Å |
| 278 | Q | 29.4 | Very low | 36.8 | Very low | 168 Ų | 168 | 125.7 Ų | 125.7 | 79% | 0.785 | 61% | 0.611 | S | S | * | * | trans | -116.6 | 64.7 | 177.3 | -65.7 | -168.2 | -4.4 | 0 | 0 | 113.5 | M275 Q276 | M275-Q278 PolarHBondContact O-N 2.74Å; Q276-Q278 PolarHBondContact O-N 3.42Å | ||
| 279 | E | 37.2 | Very low | 36.2 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 48% | 0.481 | 63% | 0.628 | S | S | . | * | trans | -103.8 | 136.4 | 153.9 | -80.3 | -169.1 | 145.4 | 0 | 0 | 110.6 | Y281 | E279-Y281 PolarHBondContact O-N 3.47Š| ||
| 280 | P | 33.1 | Very low | 35.4 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 71% | 0.708 | 66% | 0.657 | S | S | * | * | trans | -86.6 | 104.5 | -157.1 | 32.1 | -36.5 | 0 | 0 | 0 | 114.7 | I282 | P280-I282 HydrophobicContact CB-CD1 4.19Å; P280-I282 HydrophobicContact CB-CG1 4.1Å; P280-I282 PolarHBondContact O-N 2.75Å | ||
| 281 | Y | 30.5 | Very low | 34.9 | Very low | 208 Ų | 208 | 139.4 Ų | 139.4 | 82% | 0.816 | 69% | 0.685 | S | S | * | * | trans | -71.7 | 78.5 | 154.3 | -78.3 | -88.2 | 0 | 0 | 0 | 110.2 | K133 E279 | K133-Y281 PolarHBondContact NZ-OH 3.38Å; E279-Y281 PolarHBondContact O-N 3.47Å | ||
| 282 | I | 30.2 | Very low | 34.5 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 70% | 0.703 | 68% | 0.68 | S | S | * | * | trans | -127.2 | 78.8 | 172 | -52.8 | 177.6 | 0 | 0 | 0 | 109 | P280 | P280-I282 HydrophobicContact CB-CD1 4.19Å; P280-I282 HydrophobicContact CB-CG1 4.1Å; P280-I282 PolarHBondContact O-N 2.75Å | ||
| 283 | Y | 28.8 | Very low | 34.3 | Very low | 221 Ų | 221 | 141 Ų | 141 | 87% | 0.867 | 71% | 0.708 | S | S | * | * | trans | -161.6 | 40.1 | 154.8 | -112.8 | -62.6 | 0 | 0 | 0 | 115 | ||||
| 284 | E | 32.9 | Very low | 34.1 | Very low | 192 Ų | 192 | 145 Ų | 145 | 90% | 0.897 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -136.2 | 99.3 | 155.7 | -132.1 | 164.3 | -135.6 | 0 | 0 | 114.1 | T286 | E284-T286 PolarHBondContact O-N 3.45Š|
| 285 | Q | 31.8 | Very low | 33.7 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | trans | -22.9 | 113.4 | 169.4 | -62.3 | 175.4 | 0.5 | 0 | 0 | 117.6 | R287 | Q285-R287 PolarHBondContact O-N 3.44Š| ||
| 286 | T | 28.3 | Very low | 33.9 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | 19 | 99.6 | 116.1 | 56.9 | 0 | 0 | 0 | 0 | 117.2 | E284 | E284-T286 PolarHBondContact O-N 3.45Š| |||
| 287 | R | 32.9 | Very low | 34.1 | Very low | 229 Ų | 229 | 142.6 Ų | 142.6 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | trans | -158.5 | 152 | 145.3 | -108.2 | 153.6 | -160.8 | -150.7 | 3.9 | 111.6 | Q285 | Q285-R287 PolarHBondContact O-N 3.44Š| ||
| 288 | N | 34.7 | Very low | 34.2 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | 65.2 | 93.4 | 169.7 | -57.3 | -3.7 | 0 | 0 | 0 | 117.3 | ||||
| 289 | F | 32.2 | Very low | 34.8 | Very low | 214 Ų | 214 | 136.3 Ų | 136.3 | 94% | 0.939 | 72% | 0.718 | S | S | * | * | trans | -61.1 | 142.9 | 150.3 | -90.9 | -109.5 | 0 | 0 | 0 | 110.6 | ||||
| 290 | G | 35.4 | Very low | 35.3 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 74% | 0.736 | S | S | * | * | trans | -152.3 | 142.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 291 | Q | 36.4 | Very low | 35.8 | Very low | 193 Ų | 193 | 142.6 Ų | 142.6 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | trans | -92.6 | 160.6 | -172.6 | -78.5 | -171.4 | -55.9 | 0 | 0 | 113.6 | ||||
| 292 | P | 33.8 | Very low | 36.3 | Very low | 93 Ų | 93 | 136 Ų | 136 | 60% | 0.604 | 74% | 0.741 | S | S | * | * | trans | -74.5 | 162 | -165.4 | -17.4 | 32.9 | 0 | 0 | 0 | 115.3 | ||||
| 293 | G | 34.5 | Very low | 36.9 | Very low | 60 Ų | 60 | 137.9 Ų | 137.9 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | trans | -138.3 | 178.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 294 | E | 40.6 | Very low | 37.4 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | -73.1 | 152.6 | -159.9 | -151 | 114.2 | -132.3 | 0 | 0 | 115.7 | G296 S916 Q917 | E294-G296 PolarHBondContact O-N 2.76Å; E294-S916 WeakPolarHBondContact OE1-CB 3.35Å; E294-Q917 HydrophobicContact CG-CB 4.15Å; E294-Q917 VanDerWaalsContact N-OE1 3.12Å; E294-Q917 WeakPolarHBondContact OE1-CB 3.28Å; E294-Q917 PolarHBondContact OE1-OE1 3.31Å | ||
| 295 | K | 32.3 | Very low | 37.9 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 58% | 0.583 | 73% | 0.734 | S | S | * | * | trans | -89.4 | 86 | -170.5 | 179.9 | -163.7 | -176.8 | -177.6 | 0 | 111.5 | G915 S916 | K295-G915 CarbonylContact O-C 3.54Å; K295-S916 WeakPolarHBondContact CD-O 3.27Å | ||
| 296 | G | 37.8 | Very low | 38.3 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 76% | 0.763 | 74% | 0.741 | S | S | * | * | trans | -52.3 | 146.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E294 | E294-G296 PolarHBondContact O-N 2.76Š| ||
| 297 | E | 41.9 | Very low | 39.2 | Very low | 88 Ų | 88 | 132 Ų | 132 | 41% | 0.411 | 75% | 0.745 | S | S | . | * | trans | -108.2 | -173.1 | -161.3 | -139.3 | -134.5 | -115.9 | 0 | 0 | 115.7 | G299 L913 P914 G915 | E297-G299 PolarHBondContact O-N 3.29Å; E297-L913 WeakPolarHBondContact OE2-CD2 3.34Å; E297-P914 HydrophobicContact CB-CB 3.76Å; E297-P914 VanDerWaalsContact OE1-CA 3.23Å; E297-P914 WeakPolarHBondContact OE1-CA 3.44Å; E297-G915 PolarHBondContact OE1-N 2.82Å | ||
| 298 | V | 43.3 | Very low | 39.6 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 65% | 0.648 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 122.4 | -152.8 | -178.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 299 | G | 41.4 | Very low | 39.8 | Very low | 55 Ų | 55 | 128.9 Ų | 128.9 | 57% | 0.567 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 150.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E297 | E297-G299 PolarHBondContact O-N 3.29Š|
| 300 | P | 47.9 | Very low | 40.3 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 139.2 | -171.1 | 25.1 | -34.5 | 0 | 0 | 0 | 113.2 | G302 | P300-G302 PolarHBondContact O-N 2.64Š|
| 301 | K | 43.2 | Very low | 40.4 | Very low | 214 Ų | 214 | 126.1 Ų | 126.1 | 93% | 0.93 | 74% | 0.737 | S | S | * | * | trans | -67.4 | 113.8 | -177.1 | -172 | 173.3 | -172.2 | 166.2 | 0 | 111.4 | ||||
| 302 | G | 41.8 | Very low | 40.6 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | -57.8 | 155.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P300 | P300-G302 PolarHBondContact O-N 2.64Š| ||
| 303 | E | 42 | Very low | 40.8 | Very low | 178 Ų | 178 | 131.6 Ų | 131.6 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | -59.7 | 141.3 | -174.7 | -63.9 | -167.9 | 129.5 | 0 | 0 | 113 | G305 | E303-G305 PolarHBondContact O-N 3.23Š| ||
| 304 | K | 39.9 | Very low | 40.9 | Very low | 186 Ų | 186 | 132.1 Ų | 132.1 | 81% | 0.809 | 75% | 0.754 | S | S | * | * | trans | -78.8 | 108.3 | -176.9 | -160.4 | 177.7 | -174.5 | -175.9 | 0 | 109.9 | ||||
| 305 | G | 43 | Very low | 40.7 | Very low | 65 Ų | 65 | 132.6 Ų | 132.6 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -53 | 152.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E303 | E303-G305 PolarHBondContact O-N 3.23Š|
| 306 | Q | 41.7 | Very low | 41 | Very low | 189 Ų | 189 | 131.7 Ų | 131.7 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 138.8 | -178.9 | -62.8 | -179.5 | 7.9 | 0 | 0 | 111 | G308 | Q306-G308 PolarHBondContact O-N 3.22Š|
| 307 | P | 46.1 | Very low | 40.8 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 129.6 | 175.4 | -25.5 | 34.9 | 0 | 0 | 0 | 111.8 | ||
| 308 | G | 40.9 | Very low | 40.7 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 149.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q306 | Q306-G308 PolarHBondContact O-N 3.22Š|
| 309 | R | 40.5 | Very low | 40.5 | Very low | 248 Ų | 248 | 132.8 Ų | 132.8 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 143.8 | 174.5 | -76 | 178.5 | 168.9 | 171.7 | -4.7 | 111 | G311 | R309-G311 PolarHBondContact O-N 3.09Š|
| 310 | D | 41.7 | Very low | 40.1 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 134.6 | 173.9 | -54.7 | -67.9 | 0 | 0 | 0 | 111.3 | ||
| 311 | G | 38.4 | Very low | 39.5 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 143.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R309 N313 | R309-G311 PolarHBondContact O-N 3.09Å; G311-N313 PolarHBondContact O-N 2.03Å |
| 312 | R | 39.5 | Very low | 39.2 | Very low | 246 Ų | 246 | 130.6 Ų | 130.6 | 93% | 0.928 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 137.1 | 175.6 | -74.8 | 178.2 | 170.5 | 169.7 | -4.4 | 110.5 | G314 | R312-G314 PolarHBondContact O-N 3.48Š|
| 313 | N | 39.2 | Very low | 38.8 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 137.3 | 161.5 | -68.5 | -12.5 | 0 | 0 | 0 | 109.5 | G311 I315 | G311-N313 PolarHBondContact O-N 2.03Å; N313-I315 PolarHBondContact O-N 3.14Å |
| 314 | G | 36.4 | Very low | 38.8 | Very low | 71 Ų | 71 | 128.5 Ų | 128.5 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 137.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | R312 P316 | R312-G314 PolarHBondContact O-N 3.48Å; G314-P316 WeakPolarHBondContact O-CD 3.36Å |
| 315 | I | 35.4 | Very low | 38.7 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 126.2 | 177.1 | -54.4 | 173.5 | 0 | 0 | 0 | 107.3 | N313 G317 | N313-I315 PolarHBondContact O-N 3.14Å; I315-G317 PolarHBondContact O-N 3.37Å; I315-G317 VanDerWaalsContact O-N 3.15Å |
| 316 | P | 39.2 | Very low | 38.2 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 123.5 | 171.4 | -24.3 | 34.4 | 0 | 0 | 0 | 108.8 | G314 A318 | G314-P316 WeakPolarHBondContact O-CD 3.36Å; P316-A318 PolarHBondContact O-N 2.86Å; P316-A318 VanDerWaalsContact O-N 3.16Å |
| 317 | G | 34.4 | Very low | 38.5 | Very low | 74 Ų | 74 | 122.2 Ų | 122.2 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 123.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I315 | I315-G317 PolarHBondContact O-N 3.37Å; I315-G317 VanDerWaalsContact O-N 3.15Å |
| 318 | A | 38.7 | Very low | 38.3 | Very low | 89 Ų | 89 | 121.9 Ų | 121.9 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 136.5 | -176 | 0 | 0 | 0 | 0 | 0 | 109.8 | P316 G320 | P316-A318 PolarHBondContact O-N 2.86Å; P316-A318 VanDerWaalsContact O-N 3.16Å; A318-G320 PolarHBondContact O-N 3.11Å |
| 319 | P | 38.4 | Very low | 38.4 | Very low | 129 Ų | 129 | 121.9 Ų | 121.9 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 116.2 | 175.5 | -25.7 | 34.3 | 0 | 0 | 0 | 109.1 | L321 | P319-L321 PolarHBondContact O-N 3.25Š|
| 320 | G | 34.5 | Very low | 38.4 | Very low | 67 Ų | 67 | 117.8 Ų | 117.8 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 130.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A318 P322 | A318-G320 PolarHBondContact O-N 3.11Å; G320-P322 VanDerWaalsContact O-N 3.13Å |
| 321 | L | 34.2 | Very low | 38.7 | Very low | 165 Ų | 165 | 113.6 Ų | 113.6 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | trans | -43.2 | 122.2 | -179.5 | -82.6 | 165 | 0 | 0 | 0 | 109.4 | P319 G323 | P319-L321 PolarHBondContact O-N 3.25Å; L321-G323 PolarHBondContact O-N 2.74Å | ||
| 322 | P | 37.5 | Very low | 39 | Very low | 121 Ų | 121 | 114.5 Ų | 114.5 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | trans | -50 | 116.6 | -175.1 | -30.5 | 35.7 | 0 | 0 | 0 | 110.3 | G320 V324 | G320-P322 VanDerWaalsContact O-N 3.13Å; P322-V324 PolarHBondContact O-N 2.98Å | ||
| 323 | G | 33.9 | Very low | 39.2 | Very low | 70 Ų | 70 | 109.4 Ų | 109.4 | 72% | 0.722 | 69% | 0.693 | S | S | * | * | trans | -52.5 | 117.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L321 P325 | L321-G323 PolarHBondContact O-N 2.74Å; G323-P325 VanDerWaalsContact O-N 3.1Å | ||
| 324 | V | 41.9 | Very low | 39.4 | Very low | 132 Ų | 132 | 106.2 Ų | 106.2 | 80% | 0.8 | 68% | 0.681 | S | S | * | * | trans | -45.2 | 119.3 | -173.3 | -165.2 | 0 | 0 | 0 | 0 | 108.4 | P322 S326 | P322-V324 PolarHBondContact O-N 2.98Å; V324-S326 WeakPolarHBondContact O-CA 3.25Å; V324-S326 PolarHBondContact O-N 3.34Å | ||
| 325 | P | 37.6 | Very low | 39.8 | Very low | 104 Ų | 104 | 107.4 Ų | 107.4 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | trans | -50.4 | 98.8 | -157.5 | -33.6 | 36.4 | 0 | 0 | 0 | 112.8 | G323 H327 | G323-P325 VanDerWaalsContact O-N 3.1Å; P325-H327 PolarHBondContact O-N 2.98Å | ||
| 326 | S | 33.1 | Very low | 40.2 | Very low | 93 Ų | 93 | 110.6 Ų | 110.6 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | trans | -61.9 | 115.7 | -169.8 | 60.5 | 0 | 0 | 0 | 0 | 107.4 | V324 I328 | V324-S326 WeakPolarHBondContact O-CA 3.25Å; V324-S326 PolarHBondContact O-N 3.34Å; S326-I328 VanDerWaalsContact C-N 3.26Å; S326-I328 WeakPolarHBondContact O-CG1 3.3Å; S326-I328 PolarHBondContact O-N 3.47Å | ||
| 327 | H | 46.4 | Very low | 40.7 | Very low | 111 Ų | 111 | 107 Ų | 107 | 51% | 0.514 | 67% | 0.671 | S | S | . | * | trans | -68.6 | 87.8 | -174.3 | -56.2 | -76.7 | 0 | 0 | 0 | 109 | P325 L329 M357 L358 | P325-H327 PolarHBondContact O-N 2.98Å; H327-L329 VanDerWaalsContact C-N 3.3Å; H327-L329 PolarHBondContact O-N 2.8Å; H327-M357 PolarHBondContact CE1-O 3.35Å; H327-L358 HydrophobicContact CB-CD2 4.34Å | ||
| 328 | I | 43.4 | Very low | 41.1 | Very low | 125 Ų | 125 | 113.5 Ų | 113.5 | 64% | 0.641 | 68% | 0.678 | S | S | * | * | trans | -67.1 | 95.1 | 179 | -62.3 | 177.8 | 0 | 0 | 0 | 107 | S326 M330 | S326-I328 VanDerWaalsContact C-N 3.26Å; S326-I328 WeakPolarHBondContact O-CG1 3.3Å; S326-I328 PolarHBondContact O-N 3.47Å; I328-M330 HydrophobicContact CG2-CG 4.23Å; I328-M330 PolarHBondContact O-N 2.74Å | ||
| 329 | L | 41.2 | Very low | 41.8 | Very low | 68 Ų | 68 | 114.3 Ų | 114.3 | 36% | 0.356 | 67% | 0.67 | S | S | . | * | trans | -65.6 | 82.9 | 168.6 | -174.2 | 77.4 | 0 | 0 | 0 | 108.4 | H327 M331 T350 A354 | H327-L329 VanDerWaalsContact C-N 3.3Å; H327-L329 PolarHBondContact O-N 2.8Å; L329-M331 HydrophobicContact CD2-CE 4.37Å; L329-M331 HydrophobicContact CD2-CG 3.62Å; L329-M331 HydrophobicContact CD2-SD 3.86Å; L329-M331 HydrophobicContact CG-CG 3.72Å; L329-M331 PolarHBondContact O-N 3.24Å; L329-T350 HydrophobicContact CD1-CG2 4.35Å; L329-A354 HydrophobicContact CD1-CB 3.32Å | ||
| 330 | M | 42.5 | Very low | 42.4 | Very low | 162 Ų | 162 | 115.9 Ų | 115.9 | 80% | 0.798 | 67% | 0.666 | S | S | * | * | trans | -70.4 | 75.9 | 168.7 | -108.9 | -167.7 | 173.9 | 0 | 0 | 108.8 | I328 P332 | I328-M330 HydrophobicContact CG2-CG 4.23Å; I328-M330 PolarHBondContact O-N 2.74Å; M330-P332 VanDerWaalsContact O-CD 3.26Å; M330-P332 WeakPolarHBondContact O-CD 3.5Å | ||
| 331 | M | 46.2 | Very low | 43.6 | Very low | 72 Ų | 72 | 119.7 Ų | 119.7 | 36% | 0.355 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 118.4 | 165.9 | -63.3 | -175.7 | -76.9 | 0 | 0 | 107.9 | L329 L333 F347 | L329-M331 HydrophobicContact CD2-CE 4.37Å; L329-M331 HydrophobicContact CD2-CG 3.62Å; L329-M331 HydrophobicContact CD2-SD 3.86Å; L329-M331 HydrophobicContact CG-CG 3.72Å; L329-M331 PolarHBondContact O-N 3.24Å; M331-L333 PolarHBondContact O-N 2.82Å; M331-F347 HydrophobicContact SD-CE2 4.13Å |
| 332 | P | 44.7 | Very low | 44.8 | Very low | 90 Ų | 90 | 115.3 Ų | 115.3 | 58% | 0.584 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 121.8 | 178.9 | -23.2 | 34.6 | 0 | 0 | 0 | 110 | M330 P334 | M330-P332 VanDerWaalsContact O-CD 3.26Å; M330-P332 WeakPolarHBondContact O-CD 3.5Å; P332-P334 WeakPolarHBondContact O-CD 3.32Å |
| 333 | L | 44.1 | Very low | 45.7 | Very low | 138 Ų | 138 | 113.8 Ų | 113.8 | 72% | 0.723 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 121.7 | 174.4 | -75 | 173.7 | 0 | 0 | 0 | 108.8 | M331 S335 | M331-L333 PolarHBondContact O-N 2.82Å; L333-S335 PolarHBondContact O-N 3.39Å |
| 334 | P | 44.7 | Very low | 46.7 | Very low | 89 Ų | 89 | 115.9 Ų | 115.9 | 58% | 0.578 | 62% | 0.624 | S | S | * | * | trans | -74.5 | 99.9 | -172.4 | 28.5 | -34.2 | 0 | 0 | 0 | 111 | P332 | P332-P334 WeakPolarHBondContact O-CD 3.32Š| ||
| 335 | S | 43.6 | Very low | 47.8 | Very low | 95 Ų | 95 | 112.3 Ų | 112.3 | 66% | 0.664 | 61% | 0.609 | S | S | * | * | trans | -57.3 | 148.9 | 163.9 | -171.8 | 0 | 0 | 0 | 0 | 110.3 | L333 G337 R343 | L333-S335 PolarHBondContact O-N 3.39Å; S335-G337 PolarHBondContact O-N 2.91Å; S335-R343 VanDerWaalsContact O-CZ 3.22Å; S335-R343 PolarHBondContact O-NH1 2.82Å; S335-R343 PolarHBondContact O-NH2 2.79Å | ||
| 336 | F | 45.1 | Very low | 49 | Very low | 212 Ų | 212 | 110.1 Ų | 110.1 | 93% | 0.93 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -67.1 | 118.6 | -174.2 | -71.5 | -93.2 | 0 | 0 | 0 | 111.3 | ||
| 337 | G | 48.7 | Very low | 50.4 | Low | 42 Ų | 42 | 108.9 Ų | 108.9 | 43% | 0.433 | 58% | 0.579 | S | S | . | * | trans | -176.8 | 144.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S335 N339 R343 | S335-G337 PolarHBondContact O-N 2.91Å; G337-N339 VanDerWaalsContact C-N 3.33Å; G337-N339 PolarHBondContact O-N 2.78Å; G337-R343 VanDerWaalsContact O-CZ 3.23Å; G337-R343 PolarHBondContact O-NH2 2.76Å | ||
| 338 | K | 43.2 | Very low | 51.3 | Low | 209 Ų | 209 | 111.5 Ų | 111.5 | 91% | 0.909 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -72.8 | 5.9 | -154.3 | -67.6 | -172.2 | 173.9 | -175.9 | 0 | 118.7 | ||
| 339 | N | 53.4 | Low | 52.6 | Low | 106 Ų | 106 | 109 Ų | 109 | 57% | 0.567 | 58% | 0.575 | S | S | * | * | trans | -108 | 77.9 | -170.4 | -67.4 | 20.4 | 0 | 0 | 0 | 112.7 | G337 R343 | G337-N339 VanDerWaalsContact C-N 3.33Å; G337-N339 PolarHBondContact O-N 2.78Å; N339-R343 VanDerWaalsContact O-CD 3.32Å; N339-R343 WeakPolarHBondContact O-CD 3.33Å; N339-R343 VanDerWaalsContact O-CG 3.25Å; N339-R343 WeakPolarHBondContact O-CG 3.35Å; N339-R343 PolarHBondContact O-N 2.86Å | ||
| 340 | E | 49.7 | Very low | 53.7 | Low | 162 Ų | 162 | 107.7 Ų | 107.7 | 76% | 0.757 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.8 | -41.8 | 178.2 | -70 | -161.4 | 127.1 | 0 | 0 | 113.7 | S342 R343 M344 | E340-S342 VanDerWaalsContact C-N 3.33Å; E340-S342 PolarHBondContact O-N 3.26Å; E340-R343 CarbonylContact O-C 3.57Å; E340-R343 WeakPolarHBondContact O-CA 3.29Å; E340-R343 WeakPolarHBondContact O-CB 2.95Å; E340-R343 PolarHBondContact O-N 2.87Å; E340-M344 PolarHBondContact O-N 3.13Å |
| 341 | L | 61 | Low | 54.7 | Low | 148 Ų | 148 | 102.4 Ų | 102.4 | 78% | 0.775 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.9 | -39 | -175.2 | -160.5 | 71.9 | 0 | 0 | 0 | 112.1 | R343 M344 A345 | L341-R343 VanDerWaalsContact C-N 3.28Å; L341-R343 PolarHBondContact O-N 3.46Å; L341-M344 PolarHBondContact O-N 3.16Å; L341-A345 WeakPolarHBondContact O-CB 3.34Å; L341-A345 PolarHBondContact O-N 3.06Å |
| 342 | S | 58.2 | Low | 55.8 | Low | 72 Ų | 72 | 103.9 Ų | 103.9 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.3 | -27.2 | 172.5 | -51.5 | 0 | 0 | 0 | 0 | 112.9 | E340 S346 | E340-S342 VanDerWaalsContact C-N 3.33Å; E340-S342 PolarHBondContact O-N 3.26Å; S342-S346 WeakPolarHBondContact O-CB 3.47Å; S342-S346 PolarHBondContact O-N 2.94Å; S342-S346 PolarHBondContact O-OG 3.42Å |
| 343 | R | 56.7 | Low | 56.9 | Low | 90 Ų | 90 | 104.7 Ų | 104.7 | 34% | 0.34 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -77.7 | -41.5 | 175.3 | -69.1 | 164.5 | -175.3 | -136.5 | -12.9 | 111.8 | S335 G337 N339 E340 L341 A345 S346 F347 | S335-R343 VanDerWaalsContact O-CZ 3.22Å; S335-R343 PolarHBondContact O-NH1 2.82Å; S335-R343 PolarHBondContact O-NH2 2.79Å; G337-R343 VanDerWaalsContact O-CZ 3.23Å; G337-R343 PolarHBondContact O-NH2 2.76Å; N339-R343 VanDerWaalsContact O-CD 3.32Å; N339-R343 WeakPolarHBondContact O-CD 3.33Å; N339-R343 VanDerWaalsContact O-CG 3.25Å; N339-R343 WeakPolarHBondContact O-CG 3.35Å; N339-R343 PolarHBondContact O-N 2.86Å; E340-R343 CarbonylContact O-C 3.57Å; E340-R343 WeakPolarHBondContact O-CA 3.29Å; E340-R343 WeakPolarHBondContact O-CB 2.95Å; E340-R343 PolarHBondContact O-N 2.87Å; L341-R343 VanDerWaalsContact C-N 3.28Å; L341-R343 PolarHBondContact O-N 3.46Å; R343-A345 VanDerWaalsContact C-N 3.31Å; R343-S346 PolarHBondContact O-OG 3.4Å; R343-F347 WeakPolarHBondContact O-CB 3.47Å; R343-F347 PolarHBondContact O-N 3.05Å |
| 344 | M | 56.1 | Low | 57.6 | Low | 113 Ų | 113 | 99 Ų | 99 | 56% | 0.557 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.6 | -40.2 | 169.9 | -89.5 | -162.5 | 165.7 | 0 | 0 | 111.1 | E340 L341 R348 F1406 | E340-M344 PolarHBondContact O-N 3.13Å; L341-M344 PolarHBondContact O-N 3.16Å; M344-R348 VanDerWaalsContact O-CB 3.22Å; M344-R348 WeakPolarHBondContact O-CB 3.22Å; M344-R348 PolarHBondContact O-N 3.16Å; M344-F1406 HydrophobicContact CE-CE1 4.44Å; M344-F1406 HydrophobicContact CE-CE2 4.23Å; M344-F1406 HydrophobicContact CE-CZ 3.94Å |
| 345 | A | 63.7 | Low | 58.5 | Low | 58 Ų | 58 | 99 Ų | 99 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.1 | -57.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L341 R343 F347 R348 T349 | L341-A345 WeakPolarHBondContact O-CB 3.34Å; L341-A345 PolarHBondContact O-N 3.06Å; R343-A345 VanDerWaalsContact C-N 3.31Å; A345-F347 PolarHBondContact O-N 3.06Å; A345-R348 WeakPolarHBondContact O-CB 3.12Å; A345-R348 PolarHBondContact O-N 2.85Å; A345-R348 VanDerWaalsContact O-N 3.09Å; A345-T349 PolarHBondContact O-N 2.87Å; A345-T349 PolarHBondContact O-OG1 3.35Å |
| 346 | S | 63.6 | Low | 59.2 | Low | 57 Ų | 57 | 101.2 Ų | 101.2 | 40% | 0.399 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | -178.2 | 68.8 | 0 | 0 | 0 | 0 | 113 | S342 R343 R348 T349 T350 | S342-S346 WeakPolarHBondContact O-CB 3.47Å; S342-S346 PolarHBondContact O-N 2.94Å; S342-S346 PolarHBondContact O-OG 3.42Å; R343-S346 PolarHBondContact O-OG 3.4Å; S346-R348 VanDerWaalsContact C-N 3.34Å; S346-R348 PolarHBondContact O-N 3.21Å; S346-T349 WeakPolarHBondContact CA-OG1 3.29Å; S346-T349 PolarHBondContact O-N 3.23Å; S346-T349 PolarHBondContact O-OG1 3.08Å; S346-T350 WeakPolarHBondContact O-CB 3.4Å; S346-T350 PolarHBondContact O-N 3.41Å; S346-T350 PolarHBondContact O-OG1 3.13Å |
| 347 | F | 61.9 | Low | 59.8 | Low | 67 Ų | 67 | 96.9 Ų | 96.9 | 29% | 0.294 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 172 | -179.4 | -103.2 | 0 | 0 | 0 | 111.4 | M331 R343 A345 T350 V351 F1406 V1409 | M331-F347 HydrophobicContact SD-CE2 4.13Å; R343-F347 WeakPolarHBondContact O-CB 3.47Å; R343-F347 PolarHBondContact O-N 3.05Å; A345-F347 PolarHBondContact O-N 3.06Å; F347-T350 PolarHBondContact O-N 3.43Å; F347-V351 HydrophobicContact CD1-CG2 4.34Å; F347-V351 HydrophobicContact CD2-CG2 4.32Å; F347-V351 HydrophobicContact CE1-CG2 4.02Å; F347-V351 HydrophobicContact CE2-CG2 4.01Å; F347-V351 HydrophobicContact CG-CG2 4.48Å; F347-V351 HydrophobicContact CZ-CG2 3.85Å; F347-V351 WeakPolarHBondContact O-CB 3.33Å; F347-V351 VanDerWaalsContact O-CG2 3.26Å; F347-V351 WeakPolarHBondContact O-CG2 3.09Å; F347-V351 PolarHBondContact O-N 3.29Å; F347-F1406 HydrophobicContact CE1-CE1 4.46Å; F347-V1409 HydrophobicContact CZ-CG1 4.3Å |
| 348 | R | 66.4 | Low | 60.1 | Low | 166 Ų | 166 | 100.3 Ų | 100.3 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.2 | -40.6 | 177.3 | -160.2 | 176.9 | -162.2 | -176.7 | 5.7 | 111.5 | M344 A345 S346 Q352 | M344-R348 VanDerWaalsContact O-CB 3.22Å; M344-R348 WeakPolarHBondContact O-CB 3.22Å; M344-R348 PolarHBondContact O-N 3.16Å; A345-R348 WeakPolarHBondContact O-CB 3.12Å; A345-R348 PolarHBondContact O-N 2.85Å; A345-R348 VanDerWaalsContact O-N 3.09Å; S346-R348 VanDerWaalsContact C-N 3.34Å; S346-R348 PolarHBondContact O-N 3.21Å; R348-Q352 VanDerWaalsContact O-CB 3.3Å; R348-Q352 WeakPolarHBondContact O-CB 3.2Å; R348-Q352 VanDerWaalsContact O-CG 3.25Å; R348-Q352 WeakPolarHBondContact O-CG 3.5Å; R348-Q352 PolarHBondContact O-N 2.62Å |
| 349 | T | 70.2 | Confident | 60.4 | Low | 74 Ų | 74 | 98.7 Ų | 98.7 | 45% | 0.454 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 173.2 | 8 | 0 | 0 | 0 | 0 | 112.7 | A345 S346 V351 Q352 Q353 | A345-T349 PolarHBondContact O-N 2.87Å; A345-T349 PolarHBondContact O-OG1 3.35Å; S346-T349 WeakPolarHBondContact CA-OG1 3.29Å; S346-T349 PolarHBondContact O-N 3.23Å; S346-T349 PolarHBondContact O-OG1 3.08Å; T349-V351 VanDerWaalsContact C-N 3.34Å; T349-V351 PolarHBondContact O-N 2.92Å; T349-Q352 PolarHBondContact O-N 2.76Å; T349-Q353 WeakPolarHBondContact O-CB 3.36Å; T349-Q353 WeakPolarHBondContact O-CG 3.49Å; T349-Q353 PolarHBondContact O-N 2.8Å |
| 350 | T | 64.8 | Low | 59.9 | Low | 40 Ų | 40 | 96.5 Ų | 96.5 | 25% | 0.245 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.8 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | L329 S346 F347 A354 | L329-T350 HydrophobicContact CD1-CG2 4.35Å; S346-T350 WeakPolarHBondContact O-CB 3.4Å; S346-T350 PolarHBondContact O-N 3.41Å; S346-T350 PolarHBondContact O-OG1 3.13Å; F347-T350 PolarHBondContact O-N 3.43Å; T350-A354 VanDerWaalsContact O-CB 3.27Å; T350-A354 WeakPolarHBondContact O-CB 3.21Å; T350-A354 PolarHBondContact O-N 3.36Å |
| 351 | V | 63.7 | Low | 59.6 | Low | 51 Ų | 51 | 94.6 Ų | 94.6 | 31% | 0.309 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 174.7 | 171 | 0 | 0 | 0 | 0 | 111.2 | F347 T349 A354 V355 | F347-V351 HydrophobicContact CD1-CG2 4.34Å; F347-V351 HydrophobicContact CD2-CG2 4.32Å; F347-V351 HydrophobicContact CE1-CG2 4.02Å; F347-V351 HydrophobicContact CE2-CG2 4.01Å; F347-V351 HydrophobicContact CG-CG2 4.48Å; F347-V351 HydrophobicContact CZ-CG2 3.85Å; F347-V351 WeakPolarHBondContact O-CB 3.33Å; F347-V351 VanDerWaalsContact O-CG2 3.26Å; F347-V351 WeakPolarHBondContact O-CG2 3.09Å; F347-V351 PolarHBondContact O-N 3.29Å; T349-V351 VanDerWaalsContact C-N 3.34Å; T349-V351 PolarHBondContact O-N 2.92Å; V351-A354 PolarHBondContact O-N 3.32Å; V351-V355 HydrophobicContact CG1-CG2 4.39Å; V351-V355 WeakPolarHBondContact O-CB 3.28Å; V351-V355 VanDerWaalsContact O-CG2 3.26Å; V351-V355 WeakPolarHBondContact O-CG2 3.42Å; V351-V355 PolarHBondContact O-N 2.78Å |
| 352 | Q | 68.7 | Low | 58.5 | Low | 103 Ų | 103 | 99.2 Ų | 99.2 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 175.7 | -77.5 | 176.2 | -45.8 | 0 | 0 | 112.4 | R348 T349 V355 M356 | R348-Q352 VanDerWaalsContact O-CB 3.3Å; R348-Q352 WeakPolarHBondContact O-CB 3.2Å; R348-Q352 VanDerWaalsContact O-CG 3.25Å; R348-Q352 WeakPolarHBondContact O-CG 3.5Å; R348-Q352 PolarHBondContact O-N 2.62Å; T349-Q352 PolarHBondContact O-N 2.76Å; Q352-V355 PolarHBondContact O-N 2.81Å; Q352-M356 VanDerWaalsContact O-CG 3.29Å; Q352-M356 WeakPolarHBondContact O-CG 3.44Å; Q352-M356 PolarHBondContact O-N 2.81Å |
| 353 | Q | 68 | Low | 57.6 | Low | 107 Ų | 107 | 99.1 Ų | 99.1 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 173.1 | -76 | 178.1 | -46.8 | 0 | 0 | 111.2 | T349 M356 M357 | T349-Q353 WeakPolarHBondContact O-CB 3.36Å; T349-Q353 WeakPolarHBondContact O-CG 3.49Å; T349-Q353 PolarHBondContact O-N 2.8Å; Q353-M356 CarbonylContact O-C 3.59Å; Q353-M356 WeakPolarHBondContact O-CB 3.41Å; Q353-M356 PolarHBondContact O-N 3.38Å; Q353-M357 VanDerWaalsContact O-CG 3.3Å; Q353-M357 WeakPolarHBondContact O-CG 3.5Å; Q353-M357 PolarHBondContact O-N 3.5Å |
| 354 | A | 58.4 | Low | 56.6 | Low | 17 Ų | 17 | 103.3 Ų | 103.3 | 14% | 0.14 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -66 | -38.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L329 T350 V351 M356 M357 L358 | L329-A354 HydrophobicContact CD1-CB 3.32Å; T350-A354 VanDerWaalsContact O-CB 3.27Å; T350-A354 WeakPolarHBondContact O-CB 3.21Å; T350-A354 PolarHBondContact O-N 3.36Å; V351-A354 PolarHBondContact O-N 3.32Å; A354-M356 VanDerWaalsContact C-N 3.28Å; A354-M356 PolarHBondContact O-N 2.96Å; A354-M357 PolarHBondContact O-N 2.62Å; A354-L358 VanDerWaalsContact O-CB 3.28Å; A354-L358 WeakPolarHBondContact O-CB 3.3Å; A354-L358 WeakPolarHBondContact O-CD1 3.18Å; A354-L358 VanDerWaalsContact O-CG 3.27Å; A354-L358 WeakPolarHBondContact O-CG 3.39Å; A354-L358 PolarHBondContact O-N 3.42Å |
| 355 | V | 63 | Low | 55.8 | Low | 91 Ų | 91 | 106.8 Ų | 106.8 | 55% | 0.552 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.2 | -30.7 | 172.8 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | V351 Q352 K359 | V351-V355 HydrophobicContact CG1-CG2 4.39Å; V351-V355 WeakPolarHBondContact O-CB 3.28Å; V351-V355 VanDerWaalsContact O-CG2 3.26Å; V351-V355 WeakPolarHBondContact O-CG2 3.42Å; V351-V355 PolarHBondContact O-N 2.78Å; Q352-V355 PolarHBondContact O-N 2.81Å; V355-K359 WeakPolarHBondContact O-CB 3.39Å; V355-K359 PolarHBondContact O-N 3.44Å |
| 356 | M | 58.7 | Low | 54.3 | Low | 141 Ų | 141 | 107.9 Ų | 107.9 | 70% | 0.695 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.5 | -37 | 170.6 | -70.8 | 172.7 | 179.8 | 0 | 0 | 112.5 | Q352 Q353 A354 K359 | Q352-M356 VanDerWaalsContact O-CG 3.29Å; Q352-M356 WeakPolarHBondContact O-CG 3.44Å; Q352-M356 PolarHBondContact O-N 2.81Å; Q353-M356 CarbonylContact O-C 3.59Å; Q353-M356 WeakPolarHBondContact O-CB 3.41Å; Q353-M356 PolarHBondContact O-N 3.38Å; A354-M356 VanDerWaalsContact C-N 3.28Å; A354-M356 PolarHBondContact O-N 2.96Å; M356-K359 WeakPolarHBondContact O-CB 3.48Å; M356-K359 PolarHBondContact O-N 3.46Å |
| 357 | M | 57.5 | Low | 53 | Low | 121 Ų | 121 | 112.8 Ų | 112.8 | 60% | 0.596 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.1 | -34.6 | 176.7 | -68.7 | 170.6 | -173.9 | 0 | 0 | 113.1 | H327 Q353 A354 K359 | H327-M357 PolarHBondContact CE1-O 3.35Å; Q353-M357 VanDerWaalsContact O-CG 3.3Å; Q353-M357 WeakPolarHBondContact O-CG 3.5Å; Q353-M357 PolarHBondContact O-N 3.5Å; A354-M357 PolarHBondContact O-N 2.62Å; M357-K359 PolarHBondContact O-N 2.84Å |
| 358 | L | 54.6 | Low | 51.7 | Low | 113 Ų | 113 | 117.9 Ų | 117.9 | 59% | 0.592 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -71.5 | -15 | 172.1 | -75.6 | 162.7 | 0 | 0 | 0 | 112.6 | H327 A354 G360 | H327-L358 HydrophobicContact CB-CD2 4.34Å; A354-L358 VanDerWaalsContact O-CB 3.28Å; A354-L358 WeakPolarHBondContact O-CB 3.3Å; A354-L358 WeakPolarHBondContact O-CD1 3.18Å; A354-L358 VanDerWaalsContact O-CG 3.27Å; A354-L358 WeakPolarHBondContact O-CG 3.39Å; A354-L358 PolarHBondContact O-N 3.42Å; L358-G360 VanDerWaalsContact C-N 3.3Å; L358-G360 PolarHBondContact O-N 2.84Å; L358-G360 VanDerWaalsContact O-N 3.11Å |
| 359 | K | 50.6 | Low | 50 | Low | 175 Ų | 175 | 113.1 Ų | 113.1 | 76% | 0.761 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -84.6 | 80.4 | 171.9 | -155.6 | 171.1 | -170.2 | 177.9 | 0 | 108.1 | V355 M356 M357 | V355-K359 WeakPolarHBondContact O-CB 3.39Å; V355-K359 PolarHBondContact O-N 3.44Å; M356-K359 WeakPolarHBondContact O-CB 3.48Å; M356-K359 PolarHBondContact O-N 3.46Å; M357-K359 PolarHBondContact O-N 2.84Å |
| 360 | G | 43.1 | Very low | 48.4 | Very low | 61 Ų | 61 | 117.6 Ų | 117.6 | 63% | 0.629 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 148.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L358 R362 | L358-G360 VanDerWaalsContact C-N 3.3Å; L358-G360 PolarHBondContact O-N 2.84Å; L358-G360 VanDerWaalsContact O-N 3.11Å; G360-R362 PolarHBondContact O-N 2.92Å |
| 361 | S | 42.5 | Very low | 46.9 | Very low | 121 Ų | 121 | 121.9 Ų | 121.9 | 85% | 0.846 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 123.7 | -176.3 | 37.1 | 0 | 0 | 0 | 0 | 111.9 | G363 | S361-G363 PolarHBondContact O-N 2.8Š|
| 362 | R | 38.9 | Very low | 45.4 | Very low | 245 Ų | 245 | 123.1 Ų | 123.1 | 93% | 0.925 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 123.2 | 167.7 | -164.9 | 175.1 | -170.6 | 166 | 1.2 | 107.3 | G360 Q364 | G360-R362 PolarHBondContact O-N 2.92Å; R362-Q364 PolarHBondContact O-N 3.49Å |
| 363 | G | 37.5 | Very low | 44 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 134.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113 | S361 Q365 | S361-G363 PolarHBondContact O-N 2.8Å; G363-Q365 PolarHBondContact O-N 2.83Å |
| 364 | Q | 37.3 | Very low | 42.2 | Very low | 178 Ų | 178 | 130.9 Ų | 130.9 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 127.2 | 177.6 | -69.3 | -176.9 | -1.8 | 0 | 0 | 110 | R362 | R362-Q364 PolarHBondContact O-N 3.49Š|
| 365 | Q | 37.7 | Very low | 41.5 | Very low | 186 Ų | 186 | 132.9 Ų | 132.9 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -79 | 140 | 167.7 | -154.1 | 162.8 | -6.1 | 0 | 0 | 108.2 | G363 | G363-Q365 PolarHBondContact O-N 2.83Š|
| 366 | G | 33.4 | Very low | 40.6 | Very low | 81 Ų | 81 | 134.4 Ų | 134.4 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 138.1 | -156.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 367 | M | 36.5 | Very low | 39.6 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | trans | -105.1 | 127.8 | 174 | -65.7 | -166.6 | -65.6 | 0 | 0 | 112 | ||||
| 368 | I | 33.3 | Very low | 38.9 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -13.4 | 127.6 | 164.7 | -53.1 | 173.1 | 0 | 0 | 0 | 115.4 | ||||
| 369 | G | 32.1 | Very low | 38.4 | Very low | 66 Ų | 66 | 132.6 Ų | 132.6 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | -86.4 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 370 | L | 36.6 | Very low | 38.1 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 158 | 178.1 | -87.3 | 72.7 | 0 | 0 | 0 | 112.9 | ||
| 371 | P | 32.8 | Very low | 38 | Very low | 130 Ų | 130 | 137 Ų | 137 | 84% | 0.844 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 140.2 | -174.2 | -23.3 | 35 | 0 | 0 | 0 | 114.2 | ||
| 372 | G | 32.7 | Very low | 38.1 | Very low | 77 Ų | 77 | 137 Ų | 137 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 134.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 373 | I | 38.2 | Very low | 38 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 138.5 | 160.2 | 49.1 | 174.3 | 0 | 0 | 0 | 110.4 | G375 | I373-G375 PolarHBondContact O-N 2.79Š|
| 374 | Q | 30.9 | Very low | 38 | Very low | 199 Ų | 199 | 133.7 Ų | 133.7 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | -77.5 | 115.9 | -160.3 | -163.3 | 166.7 | 52 | 0 | 0 | 112.5 | ||||
| 375 | G | 43.7 | Very low | 38 | Very low | 58 Ų | 58 | 133.1 Ų | 133.1 | 60% | 0.598 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 152.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I373 | I373-G375 PolarHBondContact O-N 2.79Š|
| 376 | P | 43.3 | Very low | 38.1 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 152.9 | 178.1 | 27.7 | -34.8 | 0 | 0 | 0 | 112.1 | G378 | P376-G378 PolarHBondContact O-N 2.83Š|
| 377 | P | 38.7 | Very low | 38.3 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 131.6 | -174 | -25.1 | 35.1 | 0 | 0 | 0 | 114 | ||
| 378 | G | 42.4 | Very low | 38.3 | Very low | 67 Ų | 67 | 133.1 Ų | 133.1 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 149.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | P376 | P376-G378 PolarHBondContact O-N 2.83Š|
| 379 | P | 44.1 | Very low | 38.3 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 154.8 | 172.5 | 29.2 | -34.3 | 0 | 0 | 0 | 112.2 | ||
| 380 | R | 45.1 | Very low | 38.6 | Very low | 251 Ų | 251 | 134.2 Ų | 134.2 | 95% | 0.947 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78 | 124.4 | -168.3 | -173.6 | 179.1 | -175.8 | 173.9 | 0.9 | 112.5 | ||
| 381 | G | 40.8 | Very low | 38.5 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | -90.4 | 174.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 382 | S | 43.8 | Very low | 38.8 | Very low | 123 Ų | 123 | 135 Ų | 135 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -114.2 | 126.9 | 178.9 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 383 | K | 37.2 | Very low | 39.1 | Very low | 192 Ų | 192 | 133.4 Ų | 133.4 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -70 | 152.1 | 168.3 | 169.8 | -176.5 | 178.1 | -170.1 | 0 | 110.4 | ||||
| 384 | G | 36.7 | Very low | 39 | Very low | 52 Ų | 52 | 134.4 Ų | 134.4 | 54% | 0.536 | 79% | 0.793 | S | S | . | * | cis | 120.4 | 135.1 | 0.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 385 | D | 39.1 | Very low | 39.3 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -132.3 | 156.9 | -178 | -82.3 | -51.3 | 0 | 0 | 0 | 114.2 | ||||
| 386 | Q | 38.4 | Very low | 39.3 | Very low | 189 Ų | 189 | 131.7 Ų | 131.7 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -125 | 163.7 | -178.7 | -61.1 | 169 | -68.9 | 0 | 0 | 107.4 | ||||
| 387 | G | 37.1 | Very low | 39 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | cis | 128.5 | 145.2 | 16.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 388 | L | 36.5 | Very low | 39.1 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | trans | -159.6 | 156.3 | 179.3 | -113.5 | 170.7 | 0 | 0 | 0 | 115 | ||||
| 389 | F | 35.1 | Very low | 39.2 | Very low | 198 Ų | 198 | 131.5 Ų | 131.5 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | trans | -147.7 | 168.3 | -177.9 | -83.7 | -97.3 | 0 | 0 | 0 | 109.1 | ||||
| 390 | G | 38.5 | Very low | 38.7 | Very low | 64 Ų | 64 | 132 Ų | 132 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | cis | 122.8 | 107.8 | -1.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 391 | E | 33.9 | Very low | 38.2 | Very low | 194 Ų | 194 | 129.5 Ų | 129.5 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | trans | -133.7 | 162.8 | -166.8 | -69.2 | -165.8 | 124.2 | 0 | 0 | 116.1 | ||||
| 392 | P | 37.7 | Very low | 38.6 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | trans | -139.6 | 141 | -158.7 | 37.7 | -16.2 | 0 | 0 | 0 | 119.8 | ||||
| 393 | G | 40.7 | Very low | 38.2 | Very low | 45 Ų | 45 | 124.7 Ų | 124.7 | 46% | 0.464 | 72% | 0.722 | S | S | . | * | trans | 69.3 | 153.7 | 135.1 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 394 | F | 36.1 | Very low | 38.1 | Very low | 195 Ų | 195 | 121.3 Ų | 121.3 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | trans | -156.5 | 162.2 | 161.5 | -103.9 | -78.2 | 0 | 0 | 0 | 111.5 | ||||
| 395 | I | 35.7 | Very low | 38.4 | Very low | 138 Ų | 138 | 121.5 Ų | 121.5 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | trans | -143 | 150 | -162.7 | -48.2 | 171.4 | 0 | 0 | 0 | 114 | P1321 | I395-P1321 HydrophobicContact CD1-CB 3.64Å; I395-P1321 HydrophobicContact CG1-CB 3.58Å | ||
| 396 | G | 44.8 | Very low | 38.3 | Very low | 63 Ų | 63 | 120.1 Ų | 120.1 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | trans | 124.2 | 160.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 397 | P | 37.7 | Very low | 38.1 | Very low | 135 Ų | 135 | 119.4 Ų | 119.4 | 88% | 0.877 | 72% | 0.723 | S | S | * | * | cis | -120.7 | -166 | 8.1 | 42.5 | -29 | 0 | 0 | 0 | 114.9 | ||||
| 398 | T | 39.3 | Very low | 38.5 | Very low | 132 Ų | 132 | 118.9 Ų | 118.9 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | trans | -139.3 | 153.8 | -161.5 | -44.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 399 | G | 44.1 | Very low | 38.5 | Very low | 53 Ų | 53 | 117.7 Ų | 117.7 | 55% | 0.546 | 72% | 0.72 | S | S | . | * | trans | 119.1 | 124.5 | 137.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | E979 | G399-E979 VanDerWaalsContact C-OE2 3.31Å; G399-E979 WeakPolarHBondContact CA-OE2 3.27Å | ||
| 400 | L | 33.5 | Very low | 38.5 | Very low | 146 Ų | 146 | 116.5 Ų | 116.5 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | -156.1 | 148.4 | 126.8 | -98.3 | -172.8 | 0 | 0 | 0 | 113.1 | E979 | L400-E979 PolarHBondContact N-OE2 3.38Š| |||
| 401 | R | 36.5 | Very low | 38.9 | Very low | 199 Ų | 199 | 114.7 Ų | 114.7 | 75% | 0.751 | 69% | 0.691 | S | S | * | * | trans | -155.1 | 134.5 | -168.1 | 159.6 | 166.1 | -164 | -134.5 | 2.5 | 115.3 | A977 | R401-A977 WeakPolarHBondContact CD-O 3.19Å; R401-A977 VanDerWaalsContact CG-O 3.25Å; R401-A977 WeakPolarHBondContact CG-O 3.47Å; R401-A977 PolarHBondContact NE-O 2.91Å | ||
| 402 | G | 48.7 | Very low | 39 | Very low | 39 Ų | 39 | 114.2 Ų | 114.2 | 40% | 0.402 | 68% | 0.681 | S | S | . | * | trans | 107 | 132.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E976 | G402-E976 PolarHBondContact N-OE2 3.06Š| ||
| 403 | P | 35.1 | Very low | 39 | Very low | 59 Ų | 59 | 113.1 Ų | 113.1 | 38% | 0.383 | 67% | 0.674 | S | S | . | * | -119.3 | 169.5 | 77.3 | 37.6 | -38.5 | 0 | 0 | 0 | 116.3 | G975 E976 | P403-G975 CarbonylContact O-C 3.45Å; P403-E976 VanDerWaalsContact CD-CD 3.44Å; P403-E976 WeakPolarHBondContact CD-OE1 3.46Å; P403-E976 PolarHBondContact O-N 3.49Å; P403-E976 VanDerWaalsContact O-N 3.11Å | |||
| 404 | P | 35.4 | Very low | 39.2 | Very low | 121 Ų | 121 | 114 Ų | 114 | 79% | 0.786 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 167 | -175.7 | 0.4 | 21.5 | 0 | 0 | 0 | 114.3 | ||
| 405 | G | 41.9 | Very low | 39.2 | Very low | 56 Ų | 56 | 111.6 Ų | 111.6 | 58% | 0.577 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 165.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 406 | P | 37.7 | Very low | 39 | Very low | 139 Ų | 139 | 112.7 Ų | 112.7 | 90% | 0.903 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 156.4 | -178.9 | 32 | -35.7 | 0 | 0 | 0 | 114 | ||
| 407 | I | 33.5 | Very low | 38.5 | Very low | 173 Ų | 173 | 113.1 Ų | 113.1 | 89% | 0.887 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 141.2 | -169.3 | -60.5 | 166.7 | 0 | 0 | 0 | 111.7 | ||
| 408 | G | 46.1 | Very low | 38.4 | Very low | 59 Ų | 59 | 116.3 Ų | 116.3 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -95 | 167.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 409 | P | 35.8 | Very low | 38 | Very low | 143 Ų | 143 | 118.1 Ų | 118.1 | 93% | 0.929 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 153.5 | -178.4 | 31.1 | -34.8 | 0 | 0 | 0 | 114.2 | ||
| 410 | R | 35.4 | Very low | 37.7 | Very low | 174 Ų | 174 | 119.2 Ų | 119.2 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 159 | -157.8 | -176 | 170.2 | -173.8 | 164.9 | 12.9 | 116.4 | K1309 E1312 | R410-K1309 PolarHBondContact O-NZ 2.75Å; R410-E1312 IonicContact CZ-OE1 3.68Å; R410-E1312 IonicContact NH2-OE1 2.72Å; R410-E1312 PolarHBondContact NH2-OE1 2.76Å; R410-E1312 IonicContact NH2-OE2 2.66Å |
| 411 | G | 47.3 | Very low | 37.8 | Very low | 26 Ų | 26 | 117.2 Ų | 117.2 | 27% | 0.268 | 72% | 0.717 | S | S | . | * | trans | -68.7 | -168.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | K1309 | G411-K1309 PolarHBondContact O-NZ 2.63Š| ||
| 412 | R | 35.1 | Very low | 37.5 | Very low | 183 Ų | 183 | 114 Ų | 114 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | trans | -171.7 | 133.9 | 169.4 | 173.3 | 178 | -87.4 | -155 | -5.4 | 108.5 | G1308 K1309 | R412-G1308 CarbonylContact O-C 3.57Å; R412-G1308 VanDerWaalsContact O-C 3.3Å; R412-K1309 CarbonylContact C-O 3.54Å; R412-K1309 HydrophobicContact CB-CG 4.18Å; R412-K1309 VanDerWaalsContact N-CG 3.31Å; R412-K1309 CarbonylContact O-C 3.5Å; R412-K1309 WeakPolarHBondContact O-CA 3.35Å; R412-K1309 PolarHBondContact O-N 3.34Å | ||
| 413 | P | 39.8 | Very low | 36.8 | Very low | 98 Ų | 98 | 115.9 Ų | 115.9 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | -72.3 | 171.6 | -163.3 | -22.2 | 36.6 | 0 | 0 | 0 | 118.6 | K1309 | P413-K1309 VanDerWaalsContact CA-O 3.24Å; P413-K1309 WeakPolarHBondContact CA-O 3.46Å | ||
| 414 | G | 43.5 | Very low | 36.5 | Very low | 64 Ų | 64 | 121.5 Ų | 121.5 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | trans | -93.8 | -157.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 415 | V | 36.9 | Very low | 36.3 | Very low | 143 Ų | 143 | 120.1 Ų | 120.1 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | -145.4 | 144.9 | 179.4 | -161.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 416 | D | 31.3 | Very low | 36.1 | Very low | 162 Ų | 162 | 119.9 Ų | 119.9 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | trans | -72.9 | 172.6 | 171.3 | -36.4 | -92.4 | 0 | 0 | 0 | 111.4 | ||||
| 417 | G | 35 | Very low | 36 | Very low | 71 Ų | 71 | 117.1 Ų | 117.1 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | cis | 149.1 | 125.1 | -1.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 418 | E | 34.1 | Very low | 36 | Very low | 202 Ų | 202 | 118.9 Ų | 118.9 | 94% | 0.944 | 75% | 0.75 | S | S | * | * | trans | -130.2 | 162.5 | 177.5 | -76.5 | -157.6 | 143.9 | 0 | 0 | 113 | ||||
| 419 | I | 31.2 | Very low | 35.3 | Very low | 170 Ų | 170 | 119.5 Ų | 119.5 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | trans | -116.1 | 124.6 | -149.6 | -63.9 | 171.7 | 0 | 0 | 0 | 113.2 | ||||
| 420 | G | 38 | Very low | 35.4 | Very low | 76 Ų | 76 | 120.9 Ų | 120.9 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | trans | 31.5 | 118.1 | 145.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 421 | A | 35.1 | Very low | 35.3 | Very low | 104 Ų | 104 | 118.3 Ų | 118.3 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -118.1 | 150.7 | 148.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 422 | S | 30.3 | Very low | 34.5 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | -86.1 | 145.9 | -168.7 | -60 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 423 | G | 34.4 | Very low | 34.7 | Very low | 79 Ų | 79 | 120 Ų | 120 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | trans | -92.6 | -177.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 424 | L | 29.5 | Very low | 34.4 | Very low | 177 Ų | 177 | 121 Ų | 121 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | trans | -148.2 | 172.8 | 164 | -91.9 | 168.2 | 0 | 0 | 0 | 108.2 | ||||
| 425 | A | 31.5 | Very low | 33.9 | Very low | 92 Ų | 92 | 121.3 Ų | 121.3 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -128.1 | 130.8 | -143.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | G789 | A425-G789 CarbonylContact C-O 3.57Š| ||
| 426 | G | 36.2 | Very low | 33.9 | Very low | 51 Ų | 51 | 122.9 Ų | 122.9 | 53% | 0.526 | 81% | 0.806 | S | S | . | * | trans | 86.5 | 106.9 | 139.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | G789 | G426-G789 CarbonylContact C-O 3.53Å; G426-G789 WeakPolarHBondContact CA-O 3.47Å; G426-G789 PolarHBondContact N-O 2.56Å | ||
| 427 | P | 36 | Very low | 34.1 | Very low | 82 Ų | 82 | 121 Ų | 121 | 53% | 0.532 | 80% | 0.802 | S | S | . | * | trans | -95.5 | 167.8 | 165 | 38.4 | -30.7 | 0 | 0 | 0 | 112.8 | I790 | P427-I790 WeakPolarHBondContact CD-O 3.32Š| ||
| 428 | K | 33.5 | Very low | 34 | Very low | 209 Ų | 209 | 120.9 Ų | 120.9 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -126.1 | 129.2 | -174.6 | -178.7 | -174.9 | 178.6 | -173.4 | 0 | 112.7 | ||||
| 429 | G | 31.3 | Very low | 34.2 | Very low | 73 Ų | 73 | 119.5 Ų | 119.5 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | 80.3 | 118 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 430 | L | 39.1 | Very low | 34.4 | Very low | 171 Ų | 171 | 117.1 Ų | 117.1 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -111.8 | 159.9 | 170 | -77.8 | 173.4 | 0 | 0 | 0 | 111.3 | ||||
| 431 | P | 32.8 | Very low | 34.3 | Very low | 121 Ų | 121 | 117 Ų | 117 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -79.9 | 178.3 | -155.6 | -17.9 | 34.2 | 0 | 0 | 0 | 116.2 | ||||
| 432 | G | 31.1 | Very low | 34.8 | Very low | 69 Ų | 69 | 120.1 Ų | 120.1 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 145.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P434 | G432-P434 WeakPolarHBondContact O-CD 3.23Š|
| 433 | L | 38.6 | Very low | 34.8 | Very low | 174 Ų | 174 | 125.4 Ų | 125.4 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 125.3 | -176.6 | -79.2 | 162.6 | 0 | 0 | 0 | 111.6 | ||
| 434 | P | 32.4 | Very low | 34.9 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 153.6 | 177.8 | -26.3 | 35.5 | 0 | 0 | 0 | 113.6 | G432 | G432-P434 WeakPolarHBondContact O-CD 3.23Š|
| 435 | G | 33 | Very low | 35.5 | Very low | 71 Ų | 71 | 125.9 Ų | 125.9 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 138.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P437 | G435-P437 WeakPolarHBondContact O-CD 3.39Š|
| 436 | L | 38.1 | Very low | 35.5 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 120.2 | 177 | -84.2 | 162.5 | 0 | 0 | 0 | 110.7 | ||
| 437 | P | 34.4 | Very low | 35.3 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 141.7 | -178.6 | -26.8 | 36 | 0 | 0 | 0 | 113 | G435 | G435-P437 WeakPolarHBondContact O-CD 3.39Š|
| 438 | G | 34.3 | Very low | 35.2 | Very low | 69 Ų | 69 | 137.3 Ų | 137.3 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 138.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P440 | G438-P440 WeakPolarHBondContact O-CD 3.25Š|
| 439 | L | 37.9 | Very low | 35.1 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 123 | 174.5 | -80.3 | 166.8 | 0 | 0 | 0 | 110.5 | G441 | L439-G441 PolarHBondContact O-N 3.4Š|
| 440 | P | 35.2 | Very low | 35.8 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 130.8 | -175.6 | -29.1 | 36.3 | 0 | 0 | 0 | 113.7 | G438 | G438-P440 WeakPolarHBondContact O-CD 3.25Š|
| 441 | G | 36.7 | Very low | 35.8 | Very low | 73 Ų | 73 | 133.2 Ų | 133.2 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63 | 137 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L439 R443 | L439-G441 PolarHBondContact O-N 3.4Å; G441-R443 PolarHBondContact O-N 3.09Å |
| 442 | H | 44.1 | Very low | 35.8 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 79% | 0.787 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 122.2 | 171.8 | -80.1 | -93 | 0 | 0 | 0 | 110.7 | G444 | H442-G444 PolarHBondContact O-N 2.95Š|
| 443 | R | 31.3 | Very low | 36.5 | Very low | 242 Ų | 242 | 135.6 Ų | 135.6 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 121 | 178.3 | -172.6 | 178.6 | -68 | -177.5 | -2.3 | 110.3 | G441 | G441-R443 PolarHBondContact O-N 3.09Š|
| 444 | G | 36.1 | Very low | 36.4 | Very low | 67 Ų | 67 | 135.4 Ų | 135.4 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 157.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H442 | H442-G444 PolarHBondContact O-N 2.95Š|
| 445 | H | 42 | Very low | 36.4 | Very low | 199 Ų | 199 | 138.1 Ų | 138.1 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 141 | 171 | -88.8 | -111.1 | 0 | 0 | 0 | 110.8 | G447 | H445-G447 PolarHBondContact O-N 3.41Š|
| 446 | K | 31 | Very low | 37 | Very low | 204 Ų | 204 | 137.9 Ų | 137.9 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 123.7 | -177.3 | -171.5 | -179.4 | -178.3 | -175.5 | 0 | 110.1 | ||
| 447 | G | 32.5 | Very low | 36.8 | Very low | 64 Ų | 64 | 135.1 Ų | 135.1 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 152 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H445 | H445-G447 PolarHBondContact O-N 3.41Š|
| 448 | E | 33.7 | Very low | 37 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 162.4 | 169 | -62.7 | -171.5 | 145.5 | 0 | 0 | 110.9 | ||
| 449 | I | 31.3 | Very low | 37.5 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 139.5 | -158.6 | -61 | 166.5 | 0 | 0 | 0 | 111.7 | ||
| 450 | G | 47 | Very low | 37.4 | Very low | 63 Ų | 63 | 132.4 Ų | 132.4 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | trans | -112.4 | 165.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 451 | P | 38.2 | Very low | 37.6 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -114.3 | 175.8 | 175.7 | 38.9 | -29 | 0 | 0 | 0 | 115.5 | ||||
| 452 | N | 33.7 | Very low | 38.3 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -105.3 | -178.1 | -157.9 | -60.7 | -42.4 | 0 | 0 | 0 | 116.9 | ||||
| 453 | G | 45.6 | Very low | 38.1 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | -146.2 | -166.8 | 177 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 454 | I | 35.6 | Very low | 38.6 | Very low | 170 Ų | 170 | 128.5 Ų | 128.5 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | -154.4 | 135.3 | -174.5 | 46.3 | 177.4 | 0 | 0 | 0 | 109.5 | ||||
| 455 | K | 33.4 | Very low | 39.4 | Very low | 177 Ų | 177 | 128.8 Ų | 128.8 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | 80.9 | 140.3 | 57.7 | -168.4 | 172.6 | -173.9 | -164 | 0 | 114.9 | D457 | K455-D457 WeakPolarHBondContact CE-OD1 3.09Å; K455-D457 WeakPolarHBondContact CE-OD2 3.47Å; K455-D457 IonicContact NZ-OD1 3.2Å; K455-D457 IonicContact NZ-OD2 2.78Å; K455-D457 PolarHBondContact NZ-OD2 3.3Å | |||
| 456 | G | 44.1 | Very low | 39.7 | Very low | 66 Ų | 66 | 124.9 Ų | 124.9 | 68% | 0.68 | 75% | 0.753 | S | S | * | * | cis | -173 | -163.7 | 7.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 457 | D | 35.5 | Very low | 40.3 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | cis | -167.6 | 166.9 | -7.5 | -86.6 | -1.5 | 0 | 0 | 0 | 111.3 | K455 | K455-D457 WeakPolarHBondContact CE-OD1 3.09Å; K455-D457 WeakPolarHBondContact CE-OD2 3.47Å; K455-D457 IonicContact NZ-OD1 3.2Å; K455-D457 IonicContact NZ-OD2 2.78Å; K455-D457 PolarHBondContact NZ-OD2 3.3Å | ||
| 458 | V | 37.4 | Very low | 40.8 | Very low | 123 Ų | 123 | 126 Ų | 126 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | trans | 67.9 | 154.3 | 157.5 | 165 | 0 | 0 | 0 | 0 | 120.7 | R1040 | V458-R1040 PolarHBondContact O-NH2 3.1Š| ||
| 459 | G | 44.8 | Very low | 41.4 | Very low | 33 Ų | 33 | 126 Ų | 126 | 34% | 0.34 | 75% | 0.746 | S | S | . | * | cis | 152.7 | 166.6 | -10 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 460 | L | 37 | Very low | 41.8 | Very low | 151 Ų | 151 | 123.9 Ų | 123.9 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | 71.5 | 158 | 167.9 | -55.7 | 176.7 | 0 | 0 | 0 | 119.7 | ||||
| 461 | R | 38 | Very low | 41.5 | Very low | 206 Ų | 206 | 124.5 Ų | 124.5 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | cis | -173.8 | 160.9 | -22.3 | 171.3 | 173.1 | 174.7 | -171.7 | -2.3 | 111.4 | ||||
| 462 | G | 51.4 | Low | 41.5 | Very low | 56 Ų | 56 | 127.8 Ų | 127.8 | 58% | 0.577 | 75% | 0.747 | S | S | * | * | trans | -155 | -168.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 463 | V | 39.6 | Very low | 41.7 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | -168.8 | -177.6 | 173.8 | -82.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 464 | P | 43.6 | Very low | 42.1 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | -131.9 | -165.5 | -75.4 | 43.4 | -23.9 | 0 | 0 | 0 | 116 | |||||
| 465 | G | 53.1 | Low | 42.6 | Very low | 72 Ų | 72 | 124.4 Ų | 124.4 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | -159.6 | -175.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 466 | P | 46.9 | Very low | 43 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -136 | 137.6 | -165.8 | 38 | -19.2 | 0 | 0 | 0 | 121.6 | ||||
| 467 | Y | 44.2 | Very low | 43 | Very low | 224 Ų | 224 | 122.2 Ų | 122.2 | 88% | 0.878 | 75% | 0.746 | S | S | * | * | trans | 53.7 | 174.5 | 157.3 | -66.5 | -67.2 | 0 | 0 | 0 | 120.8 | ||||
| 468 | G | 42.3 | Very low | 43.1 | Very low | 68 Ų | 68 | 125.7 Ų | 125.7 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | cis | -169.4 | -155 | 0.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 469 | R | 46.2 | Very low | 43.6 | Very low | 196 Ų | 196 | 125.2 Ų | 125.2 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | cis | 169.9 | 147.5 | -30.9 | -92.6 | -163.4 | 167.8 | -76 | 1.6 | 107 | ||||
| 470 | D | 39.6 | Very low | 43.4 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 69% | 0.69 | 78% | 0.782 | S | S | * | * | cis | -157.3 | -157.9 | -8.9 | -74.6 | -41.4 | 0 | 0 | 0 | 109.9 | ||||
| 471 | G | 40.9 | Very low | 43.6 | Very low | 76 Ų | 76 | 126.3 Ų | 126.3 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -167.8 | -176.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 472 | E | 38.6 | Very low | 43.7 | Very low | 200 Ų | 200 | 123.8 Ų | 123.8 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | trans | -150.7 | 175.7 | -176.6 | -141.3 | 164.8 | -126.7 | 0 | 0 | 116.2 | ||||
| 473 | V | 38.3 | Very low | 43.3 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -135.2 | 158.3 | -154.9 | 179.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 474 | G | 52.9 | Low | 43.5 | Very low | 65 Ų | 65 | 127 Ų | 127 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | trans | -117.3 | 178.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 475 | P | 46.4 | Very low | 43.3 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | trans | -110.7 | 170.3 | -172.9 | 14.5 | 9 | 0 | 0 | 0 | 115.7 | ||||
| 476 | P | 41.4 | Very low | 43 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -125.1 | 154.5 | -153.9 | 41.2 | -28.6 | 0 | 0 | 0 | 118.6 | ||||
| 477 | G | 44 | Very low | 42.9 | Very low | 73 Ų | 73 | 125.7 Ų | 125.7 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | 65.4 | 149.4 | 122.9 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 478 | E | 39 | Very low | 42.7 | Very low | 191 Ų | 191 | 120 Ų | 120 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -172.8 | 159 | 141 | -92.3 | -100.3 | 109.7 | 0 | 0 | 109.4 | ||||
| 479 | P | 46.5 | Very low | 42.6 | Very low | 113 Ų | 113 | 119.2 Ų | 119.2 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -134.9 | 165.9 | -140.5 | 41.3 | -25.9 | 0 | 0 | 0 | 119.2 | ||||
| 480 | G | 40.5 | Very low | 42.5 | Very low | 81 Ų | 81 | 114.7 Ų | 114.7 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | 117.3 | 118.5 | 129.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 481 | S | 42.9 | Very low | 42.5 | Very low | 126 Ų | 126 | 114.2 Ų | 114.2 | 88% | 0.881 | 76% | 0.756 | S | S | * | * | trans | -157.4 | 158.7 | 131.5 | 57.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 482 | V | 39.4 | Very low | 42.3 | Very low | 152 Ų | 152 | 113.5 Ų | 113.5 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | trans | -102.8 | 131.8 | -158.8 | -172.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 483 | G | 44.1 | Very low | 42.7 | Very low | 68 Ų | 68 | 110.3 Ų | 110.3 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | -121 | 146.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 484 | L | 42.9 | Very low | 42.6 | Very low | 189 Ų | 189 | 107.8 Ų | 107.8 | 99% | 0.99 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 153.6 | -175.2 | -76.7 | 164 | 0 | 0 | 0 | 113.2 | ||
| 485 | Q | 39.3 | Very low | 41.8 | Very low | 137 Ų | 137 | 108.6 Ų | 108.6 | 64% | 0.64 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 130.1 | -157.8 | -175.8 | 168.7 | 68.4 | 0 | 0 | 113 | F1057 | Q485-F1057 VanDerWaalsContact CD-CD1 3.47Å; Q485-F1057 HydrophobicContact CG-CD1 4.16Å; Q485-F1057 HydrophobicContact CG-CE1 4.28Å; Q485-F1057 VanDerWaalsContact NE2-CE1 3.26Å; Q485-F1057 VanDerWaalsContact OE1-CE1 3.27Å |
| 486 | G | 47.3 | Very low | 41.5 | Very low | 56 Ų | 56 | 111 Ų | 111 | 58% | 0.577 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 153.4 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 487 | P | 45.3 | Very low | 41.1 | Very low | 98 Ų | 98 | 112.5 Ų | 112.5 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 133.5 | 178 | 28 | -34 | 0 | 0 | 0 | 111.6 | ||
| 488 | M | 38.2 | Very low | 40.9 | Very low | 106 Ų | 106 | 112.5 Ų | 112.5 | 52% | 0.522 | 74% | 0.742 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 141.8 | 180 | -174 | 168.7 | 63.3 | 0 | 0 | 111.4 | F1057 | M488-F1057 HydrophobicContact CB-CD2 3.58Å; M488-F1057 HydrophobicContact CB-CE2 3.93Å; M488-F1057 HydrophobicContact CE-CD2 4.13Å; M488-F1057 HydrophobicContact CE-CE2 3.86Å; M488-F1057 HydrophobicContact SD-CE2 4.03Å |
| 489 | G | 40.6 | Very low | 40.7 | Very low | 50 Ų | 50 | 111.3 Ų | 111.3 | 52% | 0.515 | 74% | 0.741 | S | S | . | * | P | Polyproline II helix | trans | -67.3 | 157.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V491 | G489-V491 PolarHBondContact O-N 3.27Å; G489-V491 VanDerWaalsContact O-N 3.13Å |
| 490 | P | 44.4 | Very low | 40 | Very low | 102 Ų | 102 | 111.8 Ų | 111.8 | 66% | 0.662 | 74% | 0.744 | S | S | * | * | trans | -64.2 | 114.7 | 179.4 | 26.3 | -33.8 | 0 | 0 | 0 | 110.9 | L1174 | P490-L1174 HydrophobicContact CB-CD1 3.77Å; P490-L1174 HydrophobicContact CG-CD1 3.91Å | ||
| 491 | V | 39.6 | Very low | 40 | Very low | 119 Ų | 119 | 111.6 Ų | 111.6 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 132.2 | 171.8 | 179 | 0 | 0 | 0 | 0 | 108.6 | G489 | G489-V491 PolarHBondContact O-N 3.27Å; G489-V491 VanDerWaalsContact O-N 3.13Å |
| 492 | G | 37.4 | Very low | 40 | Very low | 60 Ų | 60 | 114 Ų | 114 | 62% | 0.619 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 137.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A494 | G492-A494 PolarHBondContact O-N 3.13Š|
| 493 | P | 47 | Very low | 39.5 | Very low | 134 Ų | 134 | 115.1 Ų | 115.1 | 87% | 0.87 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 130.8 | -173.8 | 25.2 | -34 | 0 | 0 | 0 | 112.1 | ||
| 494 | A | 36.3 | Very low | 39.2 | Very low | 90 Ų | 90 | 114.9 Ų | 114.9 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 143.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G492 L496 | G492-A494 PolarHBondContact O-N 3.13Å; A494-L496 PolarHBondContact O-N 2.84Å |
| 495 | G | 34.5 | Very low | 39.4 | Very low | 82 Ų | 82 | 110.5 Ų | 110.5 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | trans | -70.1 | 109 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 496 | L | 40.1 | Very low | 38.8 | Very low | 180 Ų | 180 | 111 Ų | 111 | 94% | 0.942 | 72% | 0.719 | S | S | * | * | trans | -79.4 | 152.8 | 175.1 | -81.8 | 164.4 | 0 | 0 | 0 | 112.9 | A494 | A494-L496 PolarHBondContact O-N 2.84Š| ||
| 497 | R | 33.8 | Very low | 38.3 | Very low | 155 Ų | 155 | 111.3 Ų | 111.3 | 59% | 0.585 | 72% | 0.721 | S | S | * | * | trans | -123.4 | 116.2 | -153.7 | 172.2 | 174.3 | 155.8 | -116.2 | -10.7 | 111.7 | I1049 | R497-I1049 VanDerWaalsContact CD-O 3.25Å; R497-I1049 WeakPolarHBondContact CD-O 3.4Å; R497-I1049 PolarHBondContact NH1-O 3.03Å | ||
| 498 | G | 39.3 | Very low | 37.5 | Very low | 73 Ų | 73 | 113.8 Ų | 113.8 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | trans | -90 | 150.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 499 | L | 35.6 | Very low | 37.1 | Very low | 167 Ų | 167 | 117.7 Ų | 117.7 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | trans | -157.1 | 164.4 | 165.7 | -75.1 | 178.9 | 0 | 0 | 0 | 107.4 | ||||
| 500 | P | 31.8 | Very low | 36.8 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | cis | -123.6 | 167.3 | -35.2 | 37.2 | -23.2 | 0 | 0 | 0 | 112.3 | ||||
| 501 | G | 40.4 | Very low | 36.1 | Very low | 77 Ų | 77 | 122 Ų | 122 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -104 | 171.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 502 | R | 42.8 | Very low | 35.7 | Very low | 175 Ų | 175 | 124.9 Ų | 124.9 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | cis | -159.8 | 125.1 | 4.9 | -179.9 | -165 | -160 | -170.1 | 10.5 | 108.3 | G813 E814 | R502-G813 PolarHBondContact NH2-O 2.87Å; R502-E814 IonicContact NH2-OE1 3.72Å; R502-E814 PolarHBondContact NH2-OE1 3.48Å | ||
| 503 | I | 28.7 | Very low | 35.5 | Very low | 177 Ų | 177 | 125 Ų | 125 | 91% | 0.908 | 77% | 0.768 | S | S | * | * | trans | -138.5 | 145.9 | 160.6 | -58.6 | -178.6 | 0 | 0 | 0 | 108.3 | ||||
| 504 | G | 37.5 | Very low | 34.9 | Very low | 62 Ų | 62 | 126.6 Ų | 126.6 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | trans | -165.9 | -172.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 505 | P | 46.8 | Very low | 34.7 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | cis | -120.4 | 175.4 | -3 | 39.8 | -26.4 | 0 | 0 | 0 | 112.4 | ||||
| 506 | N | 27.1 | Very low | 34.7 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | 168.1 | 159.5 | 130 | -86.5 | -14 | 0 | 0 | 0 | 108.2 | |||||
| 507 | G | 36.6 | Very low | 34.5 | Very low | 61 Ų | 61 | 129 Ų | 129 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | trans | -152.6 | 166 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 508 | L | 28.9 | Very low | 34.7 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -170.5 | 121.7 | 148.6 | -104.5 | 167.5 | 0 | 0 | 0 | 110.7 | ||||
| 509 | K | 29.5 | Very low | 34.6 | Very low | 188 Ų | 188 | 128.9 Ų | 128.9 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | trans | 45.8 | 114.3 | 135.7 | -172 | -156 | 173.8 | -161.6 | 0 | 120.5 | ||||
| 510 | G | 33.9 | Very low | 34.8 | Very low | 58 Ų | 58 | 127 Ų | 127 | 60% | 0.598 | 77% | 0.772 | S | S | * | * | trans | 99.1 | 152.5 | 149 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 511 | E | 30.3 | Very low | 35 | Very low | 184 Ų | 184 | 127 Ų | 127 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | cis | -142.9 | 161 | 0.2 | -65.3 | -167.9 | 128.7 | 0 | 0 | 113.1 | ||||
| 512 | L | 31.1 | Very low | 34.9 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 94% | 0.942 | 77% | 0.767 | S | S | * | * | trans | 8.5 | 132.3 | 153.7 | -163.7 | 69.5 | 0 | 0 | 0 | 121.6 | ||||
| 513 | G | 33.2 | Very low | 34.7 | Very low | 63 Ų | 63 | 123.8 Ų | 123.8 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | trans | 101 | 138.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 514 | D | 35.4 | Very low | 35.1 | Very low | 167 Ų | 167 | 118.2 Ų | 118.2 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | cis | -141.4 | 172.5 | 8.6 | -87.9 | -37.6 | 0 | 0 | 0 | 112.9 | ||||
| 515 | S | 32.1 | Very low | 35.2 | Very low | 123 Ų | 123 | 117.3 Ų | 117.3 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | trans | -58.6 | 159.6 | 167.2 | -52.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 516 | G | 34.7 | Very low | 35 | Very low | 71 Ų | 71 | 116.1 Ų | 116.1 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | cis | 135.2 | 109.1 | 1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M518 | G516-M518 PolarHBondContact O-N 2.92Š| ||
| 517 | E | 35.5 | Very low | 35.4 | Very low | 207 Ų | 207 | 113.5 Ų | 113.5 | 97% | 0.967 | 71% | 0.714 | S | S | * | * | trans | -94.4 | 94.1 | -178.6 | -73.9 | -160.5 | 121 | 0 | 0 | 113.7 | ||||
| 518 | M | 37.1 | Very low | 35.7 | Very low | 171 Ų | 171 | 113.1 Ų | 113.1 | 84% | 0.842 | 71% | 0.71 | S | S | * | * | trans | -12.2 | 119.5 | 154.6 | -178 | 169.4 | 58.4 | 0 | 0 | 117.7 | G516 | G516-M518 PolarHBondContact O-N 2.92Š| ||
| 519 | G | 37 | Very low | 36.3 | Very low | 56 Ų | 56 | 111.8 Ų | 111.8 | 58% | 0.577 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 159.8 | 162 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 520 | P | 40.6 | Very low | 36.7 | Very low | 126 Ų | 126 | 108.8 Ų | 108.8 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 148.6 | -173.4 | 26.9 | -34.8 | 0 | 0 | 0 | 113.2 | ||
| 521 | P | 35.9 | Very low | 37 | Very low | 124 Ų | 124 | 109.4 Ų | 109.4 | 81% | 0.805 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 137.6 | -171.4 | -21.2 | 33.8 | 0 | 0 | 0 | 114.3 | ||
| 522 | G | 37.8 | Very low | 37.5 | Very low | 66 Ų | 66 | 107.3 Ų | 107.3 | 68% | 0.68 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 146.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q524 | G522-Q524 PolarHBondContact O-N 2.95Š|
| 523 | P | 39 | Very low | 38 | Very low | 119 Ų | 119 | 104.6 Ų | 104.6 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 128.9 | -179.7 | 27.4 | -33.9 | 0 | 0 | 0 | 111.8 | ||
| 524 | Q | 36.9 | Very low | 38.4 | Very low | 59 Ų | 59 | 104.7 Ų | 104.7 | 28% | 0.276 | 71% | 0.71 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 128.9 | -173.3 | -172.6 | 166.8 | 83.8 | 0 | 0 | 112.8 | G522 R782 E784 | G522-Q524 PolarHBondContact O-N 2.95Å; Q524-R782 VanDerWaalsContact OE1-CG 3.23Å; Q524-E784 VanDerWaalsContact CD-N 3.27Å; Q524-E784 HydrophobicContact CG-CG 4.07Å; Q524-E784 WeakPolarHBondContact CG-OE2 3.45Å; Q524-E784 PolarHBondContact NE2-O 2.73Å; Q524-E784 PolarHBondContact NE2-OE2 3.45Å |
| 525 | G | 40.8 | Very low | 38.7 | Very low | 43 Ų | 43 | 103 Ų | 103 | 44% | 0.443 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -68.9 | 159.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 526 | P | 41.8 | Very low | 38.8 | Very low | 73 Ų | 73 | 105.9 Ų | 105.9 | 47% | 0.474 | 71% | 0.708 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 138.6 | 177.5 | 25.5 | -34.1 | 0 | 0 | 0 | 112.5 | G528 | P526-G528 PolarHBondContact O-N 3.29Š|
| 527 | V | 36.5 | Very low | 38.9 | Very low | 94 Ų | 94 | 106.1 Ų | 106.1 | 57% | 0.57 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 128.3 | 178.5 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | D781 | V527-D781 PolarHBondContact N-O 3.03Š|
| 528 | G | 41.4 | Very low | 39.1 | Very low | 53 Ų | 53 | 104.4 Ų | 104.4 | 55% | 0.546 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 145.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P526 | P526-G528 PolarHBondContact O-N 3.29Š|
| 529 | P | 41.9 | Very low | 39 | Very low | 123 Ų | 123 | 107.7 Ų | 107.7 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 143.1 | -179.3 | 25.1 | -34.1 | 0 | 0 | 0 | 111.2 | G531 | P529-G531 PolarHBondContact O-N 2.9Š|
| 530 | P | 38.8 | Very low | 38.9 | Very low | 124 Ų | 124 | 108.5 Ų | 108.5 | 81% | 0.805 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 135.7 | -174.5 | -28.9 | 35.4 | 0 | 0 | 0 | 113.5 | V532 | P530-V532 PolarHBondContact O-N 3.5Å; P530-V532 VanDerWaalsContact O-N 3.16Å |
| 531 | G | 40.4 | Very low | 38.8 | Very low | 72 Ų | 72 | 110.4 Ų | 110.4 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 119.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | P529 | P529-G531 PolarHBondContact O-N 2.9Š|
| 532 | V | 40.3 | Very low | 38.5 | Very low | 139 Ų | 139 | 111.5 Ų | 111.5 | 84% | 0.842 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -55 | 125.9 | 173.1 | -101.7 | 0 | 0 | 0 | 0 | 108.9 | P530 G534 | P530-V532 PolarHBondContact O-N 3.5Å; P530-V532 VanDerWaalsContact O-N 3.16Å; V532-G534 PolarHBondContact O-N 3.42Å |
| 533 | P | 41.9 | Very low | 38.2 | Very low | 123 Ų | 123 | 111.4 Ų | 111.4 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 131.3 | -177.8 | -29.3 | 35.8 | 0 | 0 | 0 | 111.8 | ||
| 534 | G | 40.3 | Very low | 38.1 | Very low | 65 Ų | 65 | 115.7 Ų | 115.7 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V532 Q536 | V532-G534 PolarHBondContact O-N 3.42Å; G534-Q536 PolarHBondContact O-N 2.84Å |
| 535 | P | 42.6 | Very low | 37.9 | Very low | 132 Ų | 132 | 119 Ų | 119 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -62.6 | 111 | -176.5 | 24.3 | -33.1 | 0 | 0 | 0 | 110 | G537 | P535-G537 PolarHBondContact O-N 3.19Š| ||
| 536 | Q | 34.1 | Very low | 37.5 | Very low | 183 Ų | 183 | 120.8 Ų | 120.8 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -53.7 | 128.4 | 179.2 | -166.9 | 174.3 | 12.5 | 0 | 0 | 109.9 | G534 I538 | G534-Q536 PolarHBondContact O-N 2.84Å; Q536-I538 PolarHBondContact O-N 2.82Å | ||
| 537 | G | 36.3 | Very low | 37.3 | Very low | 77 Ų | 77 | 122.6 Ų | 122.6 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -57.5 | 110.4 | -167 | 0 | 0 | 0 | 0 | 0 | 113.4 | P535 R539 | P535-G537 PolarHBondContact O-N 3.19Å; G537-R539 PolarHBondContact O-N 3Å | ||
| 538 | I | 39.9 | Very low | 37.3 | Very low | 170 Ų | 170 | 126.4 Ų | 126.4 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -72.2 | 110.2 | 177.5 | 50 | 168.4 | 0 | 0 | 0 | 110.8 | Q536 G540 | Q536-I538 PolarHBondContact O-N 2.82Å; I538-G540 PolarHBondContact O-N 3.4Å | ||
| 539 | R | 34.4 | Very low | 37.5 | Very low | 241 Ų | 241 | 126.8 Ų | 126.8 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -58.8 | 132.3 | 169.6 | -168.7 | 176.1 | -172.4 | 165.5 | 2 | 109.1 | G537 L541 | G537-R539 PolarHBondContact O-N 3Å; R539-L541 PolarHBondContact O-N 3.32Å | ||
| 540 | G | 35.5 | Very low | 37.7 | Very low | 72 Ų | 72 | 127.1 Ų | 127.1 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -57.8 | 134.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I538 | I538-G540 PolarHBondContact O-N 3.4Š| ||
| 541 | L | 37.6 | Very low | 37.8 | Very low | 167 Ų | 167 | 124 Ų | 124 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -135 | 149.2 | 168.2 | -76.5 | 175.5 | 0 | 0 | 0 | 109.9 | R539 | R539-L541 PolarHBondContact O-N 3.32Š| ||
| 542 | T | 31.5 | Very low | 38 | Very low | 146 Ų | 146 | 122.6 Ų | 122.6 | 90% | 0.896 | 77% | 0.772 | S | S | * | * | trans | -76.4 | 141.4 | -160 | -36.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 543 | G | 30.7 | Very low | 38.2 | Very low | 64 Ų | 64 | 121.9 Ų | 121.9 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | trans | 67.7 | 106.6 | 150.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 544 | K | 36.6 | Very low | 37.9 | Very low | 210 Ų | 210 | 121.9 Ų | 121.9 | 91% | 0.913 | 77% | 0.766 | S | S | * | * | trans | -116.8 | 95.4 | 165.3 | -74.5 | -173.4 | 176.8 | -179.6 | 0 | 112 | ||||
| 545 | P | 32.3 | Very low | 37.9 | Very low | 129 Ų | 129 | 122 Ų | 122 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -57.1 | 142.4 | 155.3 | -20.9 | 34.2 | 0 | 0 | 0 | 110.3 | ||||
| 546 | G | 33.6 | Very low | 37.5 | Very low | 80 Ų | 80 | 122.8 Ų | 122.8 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -93.5 | 174.7 | -161.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 547 | A | 36 | Very low | 37.8 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -146.6 | 164.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 548 | R | 37.9 | Very low | 37.6 | Very low | 175 Ų | 175 | 120 Ų | 120 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | trans | -87.7 | 155.5 | -159.2 | -154.4 | 179.5 | -167.8 | 174.7 | 4.2 | 114.1 | D889 | R548-D889 PolarHBondContact NH2-O 3.34Š| ||
| 549 | G | 43.8 | Very low | 37.4 | Very low | 61 Ų | 61 | 117.5 Ų | 117.5 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | trans | -87.8 | -175.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 550 | P | 47.4 | Very low | 37.6 | Very low | 129 Ų | 129 | 112.5 Ų | 112.5 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 137.7 | -170 | 29.4 | -35.3 | 0 | 0 | 0 | 114.5 | ||
| 551 | P | 40.4 | Very low | 37.5 | Very low | 58 Ų | 58 | 112.4 Ų | 112.4 | 38% | 0.377 | 76% | 0.757 | S | S | . | * | P | Polyproline II helix | trans | -78.4 | 148.6 | 176.2 | -9.4 | 24.8 | 0 | 0 | 0 | 114.3 | D892 | P551-D892 VanDerWaalsContact CG-CA 3.48Å; P551-D892 WeakPolarHBondContact CG-O 3.21Å |
| 552 | G | 45.3 | Very low | 37.4 | Very low | 44 Ų | 44 | 113 Ų | 113 | 45% | 0.454 | 76% | 0.757 | S | S | . | * | P | Polyproline II helix | trans | -93.8 | 167 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 553 | V | 44.4 | Very low | 37.5 | Very low | 124 Ų | 124 | 112.5 Ų | 112.5 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 145 | 168.5 | -73 | 0 | 0 | 0 | 0 | 111.2 | ||
| 554 | T | 36.1 | Very low | 37.7 | Very low | 123 Ų | 123 | 112.2 Ų | 112.2 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 140.9 | 178 | -55 | 0 | 0 | 0 | 0 | 109.2 | ||
| 555 | G | 38.6 | Very low | 37.5 | Very low | 67 Ų | 67 | 110.3 Ų | 110.3 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | -84.9 | 176.7 | -172 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 556 | L | 34 | Very low | 37.6 | Very low | 148 Ų | 148 | 110.3 Ų | 110.3 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 143 | 161.3 | -83.7 | 165 | 0 | 0 | 0 | 109.9 | ||
| 557 | P | 40.6 | Very low | 38 | Very low | 123 Ų | 123 | 109.8 Ų | 109.8 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 153.3 | 178.4 | -22.7 | 34.5 | 0 | 0 | 0 | 113.6 | ||
| 558 | G | 32.7 | Very low | 38.3 | Very low | 78 Ų | 78 | 110.1 Ų | 110.1 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 165.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 559 | S | 36.6 | Very low | 38.2 | Very low | 119 Ų | 119 | 107.9 Ų | 107.9 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 150 | 163.3 | 47.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 560 | P | 38.7 | Very low | 38.1 | Very low | 135 Ų | 135 | 105.4 Ų | 105.4 | 88% | 0.877 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 171.2 | -164.5 | -9.7 | 29.7 | 0 | 0 | 0 | 114 | ||
| 561 | G | 31.6 | Very low | 37.7 | Very low | 71 Ų | 71 | 105.5 Ų | 105.5 | 73% | 0.732 | 70% | 0.703 | S | S | * | * | trans | -123 | 175.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 562 | M | 35.8 | Very low | 37.4 | Very low | 180 Ų | 180 | 106.7 Ų | 106.7 | 89% | 0.887 | 72% | 0.717 | S | S | * | * | trans | -139.6 | 131.3 | 170.6 | -59.3 | 173.8 | 66.4 | 0 | 0 | 105.1 | ||||
| 563 | T | 33.5 | Very low | 37.3 | Very low | 135 Ų | 135 | 108 Ų | 108 | 83% | 0.828 | 73% | 0.731 | S | S | * | * | 60 | 115.8 | 54.6 | -41 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 564 | G | 35.1 | Very low | 37.2 | Very low | 58 Ų | 58 | 108.3 Ų | 108.3 | 60% | 0.598 | 74% | 0.736 | S | S | * | * | cis | 131.5 | 108.7 | -1.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 565 | N | 33.2 | Very low | 37.2 | Very low | 170 Ų | 170 | 112.3 Ų | 112.3 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | trans | -112.3 | 114.2 | -178.7 | -78.7 | -9.3 | 0 | 0 | 0 | 111.1 | ||||
| 566 | P | 33.4 | Very low | 37 | Very low | 129 Ų | 129 | 112.2 Ų | 112.2 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | trans | -71.7 | 157.7 | 176.1 | -19.6 | 33.5 | 0 | 0 | 0 | 114.3 | ||||
| 567 | G | 43.5 | Very low | 37.4 | Very low | 68 Ų | 68 | 114.4 Ų | 114.4 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | -102.5 | 174.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 568 | P | 42.6 | Very low | 37.1 | Very low | 118 Ų | 118 | 115 Ų | 115 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | -119.1 | 119.4 | -170.8 | 36.4 | -22.3 | 0 | 0 | 0 | 116.6 | ||||
| 569 | Q | 34 | Very low | 37.1 | Very low | 128 Ų | 128 | 114.8 Ų | 114.8 | 60% | 0.598 | 75% | 0.749 | S | S | * | * | 42.4 | 136.7 | 108.6 | -153.6 | 159.7 | 54.3 | 0 | 0 | 120.4 | K875 E878 | Q569-K875 WeakPolarHBondContact O-CE 3.42Å; Q569-K875 PolarHBondContact O-NZ 2.88Å; Q569-E878 VanDerWaalsContact CA-OE1 3.31Å; Q569-E878 WeakPolarHBondContact CA-OE1 3.37Å; Q569-E878 VanDerWaalsContact CB-OE1 3.26Å; Q569-E878 WeakPolarHBondContact CB-OE1 3.44Å; Q569-E878 VanDerWaalsContact CG-OE1 3.31Å; Q569-E878 WeakPolarHBondContact CG-OE1 3.31Å; Q569-E878 PolarHBondContact NE2-OE2 2.91Å | |||
| 570 | G | 42.2 | Very low | 37.1 | Very low | 9 Ų | 9 | 117.3 Ų | 117.3 | 9% | 0.093 | 75% | 0.752 | C | S | . | * | trans | -121.6 | -134.6 | -156.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | K875 D877 | G570-K875 VanDerWaalsContact CA-NZ 3.34Å; G570-K875 PolarHBondContact O-NZ 3.36Å; G570-D877 WeakPolarHBondContact CA-OD1 3.32Å; G570-D877 PolarHBondContact N-OD1 2.87Å | ||
| 571 | N | 38.6 | Very low | 36.8 | Very low | 131 Ų | 131 | 117.8 Ų | 117.8 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -159.2 | 124.4 | 161.5 | -115.6 | -120.8 | 0 | 0 | 0 | 112.3 | K875 G876 D877 | N571-K875 PolarHBondContact N-O 2.9Å; N571-K875 VanDerWaalsContact N-O 3.11Å; N571-G876 WeakPolarHBondContact O-CA 3.29Å; N571-D877 VanDerWaalsContact C-CG 3.45Å; N571-D877 WeakPolarHBondContact CA-OD2 3.2Å; N571-D877 VanDerWaalsContact N-CB 3.31Å; N571-D877 PolarHBondContact N-OD1 3.04Å; N571-D877 PolarHBondContact N-OD2 3.47Å | ||
| 572 | A | 35.1 | Very low | 36.9 | Very low | 82 Ų | 82 | 118 Ų | 118 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | -82.5 | 178.4 | -161.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | D877 | A572-D877 HydrophobicContact CB-CB 4.07Å; A572-D877 WeakPolarHBondContact CB-OD2 3.44Å; A572-D877 PolarHBondContact N-OD2 2.77Å | ||
| 573 | G | 42.6 | Very low | 37.5 | Very low | 71 Ų | 71 | 117.2 Ų | 117.2 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | -127.1 | 166.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 574 | P | 43.7 | Very low | 37.7 | Very low | 132 Ų | 132 | 116.9 Ų | 116.9 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | -113.5 | 175.6 | 174.8 | 41.3 | -32.6 | 0 | 0 | 0 | 113 | ||||
| 575 | K | 35.7 | Very low | 37.8 | Very low | 207 Ų | 207 | 117.5 Ų | 117.5 | 90% | 0.9 | 76% | 0.756 | S | S | * | * | cis | -168.8 | 137.4 | -29.4 | 174.6 | -179.6 | 175.4 | -175.4 | 0 | 106 | ||||
| 576 | G | 34.7 | Very low | 38.2 | Very low | 64 Ų | 64 | 116.9 Ų | 116.9 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | trans | -95.1 | 166.8 | -164.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 577 | E | 40.8 | Very low | 38.2 | Very low | 194 Ų | 194 | 117.3 Ų | 117.3 | 91% | 0.907 | 75% | 0.753 | S | S | * | * | trans | 47.3 | 136.9 | 150.6 | -56.6 | -169.1 | 154.7 | 0 | 0 | 121.3 | ||||
| 578 | P | 36.1 | Very low | 38.2 | Very low | 137 Ų | 137 | 116.6 Ų | 116.6 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | -140.4 | -178.2 | 84.9 | 35.8 | -18.2 | 0 | 0 | 0 | 114.3 | |||||
| 579 | G | 31.2 | Very low | 38.3 | Very low | 72 Ų | 72 | 116.4 Ų | 116.4 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | trans | -152.7 | -169.1 | -172 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 580 | L | 36.8 | Very low | 38.3 | Very low | 172 Ų | 172 | 116.2 Ų | 116.2 | 90% | 0.901 | 75% | 0.751 | S | S | * | * | trans | 68.6 | 121.5 | 177.9 | -59.2 | 178.4 | 0 | 0 | 0 | 119.4 | ||||
| 581 | T | 33.3 | Very low | 38.1 | Very low | 145 Ų | 145 | 118.6 Ų | 118.6 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | 156.8 | 129 | 114.9 | -62.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 582 | G | 33.4 | Very low | 38.1 | Very low | 76 Ų | 76 | 116.5 Ų | 116.5 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | 93.3 | 117.3 | 143.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 583 | E | 47.2 | Very low | 38 | Very low | 163 Ų | 163 | 117.1 Ų | 117.1 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -88.8 | 162.9 | 158.5 | -72.7 | -127.8 | 131.5 | 0 | 0 | 110.6 | ||||
| 584 | P | 38.8 | Very low | 37.9 | Very low | 128 Ų | 128 | 116.4 Ų | 116.4 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | cis | -158.5 | -179.2 | 49 | 44 | -21.8 | 0 | 0 | 0 | 120.3 | ||||
| 585 | G | 36.6 | Very low | 37.8 | Very low | 71 Ų | 71 | 120.3 Ų | 120.3 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | 124.8 | 112.5 | 135.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 586 | D | 41.3 | Very low | 37.6 | Very low | 157 Ų | 157 | 117.3 Ų | 117.3 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | 60.1 | 127.1 | 139 | -73.2 | -0.7 | 0 | 0 | 0 | 127.6 | ||||
| 587 | T | 33.9 | Very low | 38 | Very low | 139 Ų | 139 | 116.9 Ų | 116.9 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | 76.4 | 141.8 | 135.7 | -58.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 588 | G | 43.6 | Very low | 37.9 | Very low | 52 Ų | 52 | 113.7 Ų | 113.7 | 54% | 0.536 | 74% | 0.74 | S | S | . | * | trans | -155.7 | 179.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 589 | P | 44.2 | Very low | 37.8 | Very low | 114 Ų | 114 | 118.3 Ų | 118.3 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | trans | -113 | 174.8 | -166.5 | 39.6 | -31.7 | 0 | 0 | 0 | 117.1 | R9 | R9-P589 VanDerWaalsContact CZ-O 3.26Å; R9-P589 PolarHBondContact NH1-O 2.74Å; R9-P589 PolarHBondContact NH2-O 2.98Å | ||
| 590 | V | 34.6 | Very low | 38.5 | Very low | 124 Ų | 124 | 118.1 Ų | 118.1 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | -139 | 156.6 | -161.7 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 591 | G | 37.3 | Very low | 38.6 | Very low | 60 Ų | 60 | 116.1 Ų | 116.1 | 62% | 0.619 | 74% | 0.735 | S | S | * | * | cis | 139.6 | 130.4 | -4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 592 | A | 38.5 | Very low | 38.5 | Very low | 87 Ų | 87 | 120.4 Ų | 120.4 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | trans | -123.3 | 170.5 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | R8 | R8-A592 PolarHBondContact NH1-O 2.85Å; R8-A592 VanDerWaalsContact NH1-O 3.13Å; R8-A592 PolarHBondContact NH2-O 3.32Å | ||
| 593 | S | 34.8 | Very low | 39 | Very low | 94 Ų | 94 | 119.9 Ų | 119.9 | 66% | 0.657 | 73% | 0.73 | S | S | * | * | trans | -151.9 | 174.8 | -166.9 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | R8 | R8-S593 PolarHBondContact NH1-OG 3.23Å; R8-S593 VanDerWaalsContact NH1-OG 3.16Å | ||
| 594 | G | 40 | Very low | 38.3 | Very low | 57 Ų | 57 | 120 Ų | 120 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | cis | 174 | -141.1 | 7.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 595 | Y | 40.5 | Very low | 38.1 | Very low | 213 Ų | 213 | 120 Ų | 120 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | trans | 75.9 | 170.1 | 165.8 | -48.7 | -72 | 0 | 0 | 0 | 119 | ||||
| 596 | K | 32.9 | Very low | 38.4 | Very low | 144 Ų | 144 | 120.4 Ų | 120.4 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | cis | -177.9 | 144.8 | -43.1 | -179.7 | -95.7 | -179.6 | -167.1 | 0 | 108.5 | D598 | K596-D598 IonicContact NZ-OD1 2.62Å; K596-D598 PolarHBondContact NZ-OD1 2.66Å; K596-D598 IonicContact NZ-OD2 2.64Å; K596-D598 PolarHBondContact NZ-OD2 2.78Å | ||
| 597 | G | 41.7 | Very low | 38.3 | Very low | 55 Ų | 55 | 118 Ų | 118 | 57% | 0.567 | 74% | 0.741 | S | S | * | * | cis | 136.6 | 92.8 | -11 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 598 | D | 38.7 | Very low | 38.2 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 68% | 0.679 | 73% | 0.727 | S | S | * | * | trans | -154.5 | 172.5 | 180 | -69.7 | -65.6 | 0 | 0 | 0 | 112.4 | K596 | K596-D598 IonicContact NZ-OD1 2.62Å; K596-D598 PolarHBondContact NZ-OD1 2.66Å; K596-D598 IonicContact NZ-OD2 2.64Å; K596-D598 PolarHBondContact NZ-OD2 2.78Å | ||
| 599 | R | 34 | Very low | 37.9 | Very low | 234 Ų | 234 | 118.7 Ų | 118.7 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | cis | -175.2 | 142.4 | -42.3 | -170.8 | 173.7 | -173.2 | 177.9 | 2.4 | 108.4 | ||||
| 600 | G | 46 | Very low | 37.6 | Very low | 68 Ų | 68 | 119 Ų | 119 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -124.9 | 169.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 601 | P | 38.8 | Very low | 37.6 | Very low | 131 Ų | 131 | 119.3 Ų | 119.3 | 85% | 0.851 | 73% | 0.732 | S | S | * | * | trans | -129.5 | 175.9 | 164 | 40.7 | -27.9 | 0 | 0 | 0 | 113.2 | ||||
| 602 | R | 32.3 | Very low | 37.6 | Very low | 234 Ų | 234 | 120.1 Ų | 120.1 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | cis | -173.6 | 132.4 | -33.3 | 178 | 178.1 | -175.7 | 171.4 | 2.3 | 107.4 | ||||
| 603 | G | 42.4 | Very low | 37.7 | Very low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | trans | -97.5 | 171.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 604 | L | 34.4 | Very low | 37.7 | Very low | 166 Ų | 166 | 121.6 Ų | 121.6 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | -146.1 | 163.1 | 174.1 | -78.1 | -175.9 | 0 | 0 | 0 | 112.3 | ||||
| 605 | P | 34.5 | Very low | 37.5 | Very low | 128 Ų | 128 | 122.7 Ų | 122.7 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | trans | -124.5 | -170.4 | -144.4 | 42.2 | -28.6 | 0 | 0 | 0 | 116.9 | ||||
| 606 | G | 42.7 | Very low | 37.4 | Very low | 79 Ų | 79 | 120.3 Ų | 120.3 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | -144.8 | 179.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 607 | A | 37.7 | Very low | 37.2 | Very low | 106 Ų | 106 | 120.5 Ų | 120.5 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | trans | -171.7 | 170.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 608 | K | 32.1 | Very low | 36.8 | Very low | 130 Ų | 130 | 121.6 Ų | 121.6 | 57% | 0.565 | 80% | 0.795 | S | S | * | * | cis | -168.8 | 105.4 | -37 | -176.5 | -143.7 | 174.7 | -170.9 | 0 | 111 | Q1349 | K608-Q1349 PolarHBondContact NZ-O 2.84Š| ||
| 609 | G | 38 | Very low | 36.6 | Very low | 75 Ų | 75 | 122.6 Ų | 122.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | 84.7 | 175.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 610 | T | 37.2 | Very low | 36.3 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | cis | -152.2 | 147.2 | 3.7 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 611 | Q | 34.6 | Very low | 35.5 | Very low | 131 Ų | 131 | 123 Ų | 123 | 61% | 0.612 | 81% | 0.809 | S | S | * | * | trans | 17.7 | 132.4 | 145.8 | -171.4 | 176.4 | 6.8 | 0 | 0 | 122.1 | P1351 R1352 | Q611-P1351 HydrophobicContact CB-CB 4.18Å; Q611-R1352 PolarHBondContact NE2-O 2.97Å; Q611-R1352 VanDerWaalsContact OE1-N 3.08Å; Q611-R1352 PolarHBondContact OE1-O 2.93Å | ||
| 612 | G | 38.8 | Very low | 35.2 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 173.9 | 133.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 613 | A | 39.9 | Very low | 35.2 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | -117.4 | 178.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 614 | A | 33.7 | Very low | 34.8 | Very low | 105 Ų | 105 | 122 Ų | 122 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | cis | -152.7 | 172.4 | 6.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 615 | G | 35.7 | Very low | 34.6 | Very low | 80 Ų | 80 | 121.3 Ų | 121.3 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 173.5 | 131.9 | 170 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 616 | L | 38.9 | Very low | 34.6 | Very low | 163 Ų | 163 | 123.1 Ų | 123.1 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -91.8 | 171.4 | 179.3 | -80.7 | 161.6 | 0 | 0 | 0 | 112.5 | ||||
| 617 | T | 29.4 | Very low | 34.3 | Very low | 148 Ų | 148 | 122.7 Ų | 122.7 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | trans | 84.1 | 154.9 | 174 | 77.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 618 | G | 32.7 | Very low | 34.4 | Very low | 78 Ų | 78 | 123.1 Ų | 123.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 115.3 | 99.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 619 | V | 33.9 | Very low | 34.4 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | trans | -97 | 144.3 | 167.6 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 620 | R | 28.5 | Very low | 34.4 | Very low | 236 Ų | 236 | 125.9 Ų | 125.9 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | 84.6 | 135.4 | 167.1 | -158 | -178.3 | -159 | 149.1 | 6.3 | 116.5 | ||||
| 621 | G | 29.7 | Very low | 34.3 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 161.2 | 81.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 622 | D | 32.3 | Very low | 34.2 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -71 | 149.8 | 176.6 | -55.8 | -87.9 | 0 | 0 | 0 | 112.2 | ||||
| 623 | R | 31.3 | Very low | 34.3 | Very low | 208 Ų | 208 | 133.8 Ų | 133.8 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 69.2 | 137.1 | 157.1 | -161.7 | -178.6 | -169 | 161 | -0 | 115.1 | ||||
| 624 | G | 33.8 | Very low | 33.9 | Very low | 59 Ų | 59 | 137 Ų | 137 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | cis | 148.2 | -176.8 | 4.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 625 | E | 31.3 | Very low | 34.1 | Very low | 150 Ų | 150 | 138 Ų | 138 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | 72.8 | 127.6 | -175.6 | -50.2 | -123.4 | 117.3 | 0 | 0 | 114 | ||||
| 626 | K | 33.4 | Very low | 34.3 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 73% | 0.726 | 80% | 0.795 | S | S | * | * | 74.3 | 135 | 56.9 | 150.5 | -127.8 | -172.1 | -173.7 | 0 | 112.4 | |||||
| 627 | G | 37.6 | Very low | 34.3 | Very low | 70 Ų | 70 | 136.4 Ų | 136.4 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | cis | 143.1 | 149.7 | -0.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 628 | S | 39.4 | Very low | 34.6 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -157.2 | 136.1 | 177.7 | 34.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 629 | K | 33.4 | Very low | 35 | Very low | 196 Ų | 196 | 140.2 Ų | 140.2 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | cis | 66.5 | 110.7 | 27.6 | -163.4 | -171.7 | -179.9 | -176.1 | 0 | 113.2 | ||||
| 630 | G | 36.8 | Very low | 35.2 | Very low | 66 Ų | 66 | 138.2 Ų | 138.2 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | cis | 125.5 | 137.7 | -1.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 631 | E | 34.6 | Very low | 35.4 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -148.3 | 132.2 | 176.2 | -91.7 | 166 | 176.7 | 0 | 0 | 107.8 | ||||
| 632 | R | 32.5 | Very low | 36.2 | Very low | 241 Ų | 241 | 135.1 Ų | 135.1 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | 85.9 | 116.3 | 52.5 | -173 | 180 | -71.9 | -167.4 | -2.4 | 112.2 | |||||
| 633 | G | 41.4 | Very low | 36.6 | Very low | 66 Ų | 66 | 134.1 Ų | 134.1 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | trans | -106.5 | -160.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 634 | L | 32.4 | Very low | 36.8 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -136.7 | 162.4 | -179 | -73.8 | 178.1 | 0 | 0 | 0 | 113.2 | ||||
| 635 | P | 36.5 | Very low | 37 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 173.1 | -163.9 | 1.4 | 21.4 | 0 | 0 | 0 | 115.1 | ||
| 636 | G | 40.6 | Very low | 37.5 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 171.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 637 | P | 38.6 | Very low | 37.5 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 90% | 0.903 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 172.7 | -177.2 | 37.7 | -35.2 | 0 | 0 | 0 | 114.7 | ||
| 638 | R | 35.5 | Very low | 37.4 | Very low | 237 Ų | 237 | 132.4 Ų | 132.4 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -105.9 | 151.7 | -173.3 | 177.1 | 177.7 | 175.8 | 169.4 | -2.7 | 110.7 | ||||
| 639 | G | 41.5 | Very low | 37.2 | Very low | 70 Ų | 70 | 134.2 Ų | 134.2 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -90.2 | -164.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 640 | S | 38.3 | Very low | 37.4 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -142.8 | 142.4 | 172.1 | 70 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 641 | E | 32 | Very low | 37.4 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | 54.6 | 131.8 | 53.2 | -62.4 | -178.2 | 167.9 | 0 | 0 | 111.6 | |||||
| 642 | G | 46.2 | Very low | 37.6 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | cis | 173.6 | 156.5 | -3.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 643 | P | 42 | Very low | 37.6 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | -143.2 | 137.8 | 113.9 | 37.7 | -23.7 | 0 | 0 | 0 | 111.5 | |||||
| 644 | V | 35.9 | Very low | 37.2 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | cis | 62.9 | 115.7 | 48.8 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 645 | G | 38.2 | Very low | 37.5 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | cis | 131.7 | 130.9 | -4.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 646 | I | 41.7 | Very low | 37.3 | Very low | 165 Ų | 165 | 129 Ų | 129 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -134.8 | 125.9 | 164.7 | 52.4 | 177.4 | 0 | 0 | 0 | 106.1 | ||||
| 647 | K | 33.2 | Very low | 37.3 | Very low | 174 Ų | 174 | 129 Ų | 129 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | cis | 68.9 | 123 | 41.5 | -158.5 | -163.2 | -177.5 | -142.4 | 0 | 111.6 | E649 | K647-E649 WeakPolarHBondContact CE-OE1 3.26Å; K647-E649 HydrophobicContact CG-CG 4.46Å; K647-E649 IonicContact NZ-OE1 2.79Å; K647-E649 PolarHBondContact NZ-OE1 3.35Å | ||
| 648 | G | 35.8 | Very low | 37.4 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | cis | -159.7 | -146.3 | -3.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 649 | E | 34.1 | Very low | 37.3 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 71% | 0.71 | 78% | 0.779 | S | S | * | * | cis | -151.2 | 176.8 | 10.2 | -93.7 | -156.8 | 132.5 | 0 | 0 | 112 | K647 | K647-E649 WeakPolarHBondContact CE-OE1 3.26Å; K647-E649 HydrophobicContact CG-CG 4.46Å; K647-E649 IonicContact NZ-OE1 2.79Å; K647-E649 PolarHBondContact NZ-OE1 3.35Å | ||
| 650 | P | 38.4 | Very low | 37 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -86.9 | -174.8 | -162.9 | -7.8 | 27.7 | 0 | 0 | 0 | 115.4 | ||||
| 651 | G | 36.6 | Very low | 36.8 | Very low | 62 Ų | 62 | 128.4 Ų | 128.4 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | cis | 113.5 | 130.6 | 0.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 652 | I | 38 | Very low | 37 | Very low | 161 Ų | 161 | 122.6 Ų | 122.6 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | trans | -153 | 137.9 | 173.7 | 40.8 | 174.8 | 0 | 0 | 0 | 107.2 | ||||
| 653 | I | 32.3 | Very low | 36.6 | Very low | 167 Ų | 167 | 121.1 Ų | 121.1 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | cis | 72.5 | 127.1 | 41.4 | -53.6 | 166.6 | 0 | 0 | 0 | 111.2 | ||||
| 654 | G | 34.1 | Very low | 36.2 | Very low | 67 Ų | 67 | 120.8 Ų | 120.8 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | cis | -146.2 | -161.2 | -4.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 655 | E | 37.6 | Very low | 36.1 | Very low | 196 Ų | 196 | 123 Ų | 123 | 92% | 0.916 | 72% | 0.718 | S | S | * | * | cis | -150.2 | -171.6 | 14.5 | -73.4 | -164.8 | 99.3 | 0 | 0 | 112.6 | ||||
| 656 | L | 33.6 | Very low | 36.2 | Very low | 175 Ų | 175 | 122.5 Ų | 122.5 | 92% | 0.916 | 71% | 0.714 | S | S | * | * | trans | -109.6 | 149.5 | -173 | -96.4 | 65.4 | 0 | 0 | 0 | 115.1 | ||||
| 657 | G | 39 | Very low | 36 | Very low | 72 Ų | 72 | 121.1 Ų | 121.1 | 74% | 0.742 | 71% | 0.708 | S | S | * | * | trans | 90 | 178.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 658 | P | 40.5 | Very low | 36.1 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | cis | -116.3 | -164.9 | 9.7 | 41.9 | -31.1 | 0 | 0 | 0 | 115 | ||||
| 659 | R | 34.8 | Very low | 36.6 | Very low | 188 Ų | 188 | 121.9 Ų | 121.9 | 71% | 0.709 | 71% | 0.713 | S | S | * | * | trans | -139 | 147.2 | -171 | 169.1 | -175.2 | 173.6 | 172 | 3.8 | 113 | E662 | R659-E662 IonicContact NH2-OE1 3.24Š| ||
| 660 | G | 35.6 | Very low | 36.8 | Very low | 56 Ų | 56 | 121.2 Ų | 121.2 | 58% | 0.577 | 72% | 0.722 | S | S | * | * | trans | 113.5 | 153.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 661 | L | 33.3 | Very low | 36.8 | Very low | 153 Ų | 153 | 127 Ų | 127 | 80% | 0.801 | 73% | 0.728 | S | S | * | * | cis | -135 | -167.4 | 13.9 | -73.8 | 168.9 | 0 | 0 | 0 | 113.7 | ||||
| 662 | E | 35.9 | Very low | 37.1 | Very low | 59 Ų | 59 | 127.4 Ų | 127.4 | 28% | 0.276 | 73% | 0.733 | S | S | . | * | trans | -80.5 | -62.5 | -133.3 | -70 | -172.1 | -123.4 | 0 | 0 | 127.7 | R659 K845 | R659-E662 IonicContact NH2-OE1 3.24Å; E662-K845 WeakPolarHBondContact CA-O 3.42Å; E662-K845 VanDerWaalsContact CB-C 3.49Å; E662-K845 HydrophobicContact CB-CD 4.09Å; E662-K845 HydrophobicContact CB-CG 3.85Å; E662-K845 WeakPolarHBondContact CB-O 3.49Å; E662-K845 PolarHBondContact N-O 3.09Å; E662-K845 WeakPolarHBondContact O-CD 3.21Å; E662-K845 PolarHBondContact O-NZ 3.16Å; E662-K845 IonicContact OE2-NZ 2.7Å; E662-K845 PolarHBondContact OE2-NZ 2.93Å | ||
| 663 | G | 38 | Very low | 37.1 | Very low | 33 Ų | 33 | 125.7 Ų | 125.7 | 34% | 0.34 | 74% | 0.735 | S | S | . | * | trans | 105.8 | 140.5 | -160.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | G843 T844 K845 | G663-G843 CarbonylContact C-O 3.47Å; G663-G843 VanDerWaalsContact CA-O 3.24Å; G663-G843 WeakPolarHBondContact CA-O 3.22Å; G663-T844 VanDerWaalsContact C-CA 3.46Å; G663-T844 CarbonylContact O-C 3.49Å; G663-K845 VanDerWaalsContact N-N 3.2Å; G663-K845 VanDerWaalsContact O-CB 3.31Å; G663-K845 WeakPolarHBondContact O-CB 3.44Å; G663-K845 WeakPolarHBondContact O-CD 3.4Å; G663-K845 PolarHBondContact O-N 3.49Å | ||
| 664 | Q | 33.4 | Very low | 37.1 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 55% | 0.551 | 72% | 0.719 | S | S | * | * | trans | -153.8 | 136.3 | 167.2 | -85.9 | -169.2 | 81.1 | 0 | 0 | 110.2 | K842 G843 T844 K845 | Q664-K842 CarbonylContact O-C 3.57Å; Q664-G843 PolarHBondContact N-O 3.41Å; Q664-G843 WeakPolarHBondContact O-CA 3.27Å; Q664-G843 PolarHBondContact O-N 3.23Å; Q664-G843 VanDerWaalsContact O-N 3.07Å; Q664-T844 PolarHBondContact NE2-O 3.46Å; Q664-K845 HydrophobicContact CG-CB 4.5Å | ||
| 665 | K | 34.4 | Very low | 37.2 | Very low | 184 Ų | 184 | 119.9 Ų | 119.9 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | 59.4 | 129.9 | 78.3 | -163.1 | -179.4 | -178.7 | -176.1 | 0 | 114.6 | |||||
| 666 | G | 40.2 | Very low | 37.1 | Very low | 60 Ų | 60 | 118.4 Ų | 118.4 | 62% | 0.619 | 70% | 0.698 | S | S | * | * | cis | 170.2 | -155.1 | -0.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 667 | N | 36.9 | Very low | 37 | Very low | 135 Ų | 135 | 112.9 Ų | 112.9 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | trans | 100.9 | 112.3 | 171.2 | -53.2 | -4.3 | 0 | 0 | 0 | 114.5 | ||||
| 668 | E | 35.9 | Very low | 36.6 | Very low | 196 Ų | 196 | 112.9 Ų | 112.9 | 92% | 0.916 | 67% | 0.672 | S | S | * | * | 95.8 | 140.9 | 64.8 | -83.4 | -173.2 | 159.7 | 0 | 0 | 113.1 | |||||
| 669 | G | 45.5 | Very low | 36.2 | Very low | 66 Ų | 66 | 109.8 Ų | 109.8 | 68% | 0.68 | 66% | 0.659 | S | S | * | * | trans | -136.1 | -176.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | R671 | G669-R671 PolarHBondContact O-N 2.84Š| ||
| 670 | P | 39.1 | Very low | 36.2 | Very low | 138 Ų | 138 | 107 Ų | 107 | 90% | 0.896 | 67% | 0.665 | S | S | * | * | trans | -85.4 | 106.8 | -169.5 | 31.6 | -33.1 | 0 | 0 | 0 | 114.4 | ||||
| 671 | R | 37.5 | Very low | 36.2 | Very low | 240 Ų | 240 | 108 Ų | 108 | 91% | 0.906 | 67% | 0.674 | S | S | * | * | trans | -32.2 | 142.7 | 156 | -176.3 | -177.4 | -169 | 155.9 | 1.2 | 115.8 | G669 | G669-R671 PolarHBondContact O-N 2.84Š| ||
| 672 | G | 44.2 | Very low | 36.2 | Very low | 71 Ų | 71 | 107.2 Ų | 107.2 | 73% | 0.732 | 68% | 0.679 | S | S | * | * | trans | -90.4 | -169.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 673 | S | 37.3 | Very low | 36 | Very low | 124 Ų | 124 | 114.3 Ų | 114.3 | 87% | 0.867 | 71% | 0.708 | S | S | * | * | trans | -156.2 | 162.6 | -174.2 | 52.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 674 | A | 31.7 | Very low | 36 | Very low | 63 Ų | 63 | 116.6 Ų | 116.6 | 52% | 0.521 | 73% | 0.732 | S | S | . | * | cis | -156.4 | 155.7 | -28.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | V1030 | A674-V1030 HydrophobicContact CB-CG2 4.17Š| ||
| 675 | G | 37.4 | Very low | 35.9 | Very low | 50 Ų | 50 | 116.7 Ų | 116.7 | 52% | 0.515 | 75% | 0.746 | S | S | . | * | trans | -76.3 | 158.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1029 V1030 | G675-G1029 CarbonylContact O-C 3.39Å; G675-G1029 WeakPolarHBondContact O-CA 3.46Å; G675-V1030 PolarHBondContact O-N 3.01Å | ||
| 676 | Y | 34.8 | Very low | 35.8 | Very low | 165 Ų | 165 | 116.4 Ų | 116.4 | 65% | 0.647 | 75% | 0.751 | S | S | * | * | trans | -110.6 | 136.6 | -172.3 | -66.6 | -15.8 | 0 | 0 | 0 | 112.8 | V1030 | Y676-V1030 WeakPolarHBondContact CD1-O 3.33Å; Y676-V1030 WeakPolarHBondContact CE1-O 3.26Å | ||
| 677 | P | 32.2 | Very low | 36.1 | Very low | 59 Ų | 59 | 116.7 Ų | 116.7 | 38% | 0.383 | 76% | 0.755 | S | S | . | * | trans | -106.6 | -178.5 | -169.9 | 44 | -35 | 0 | 0 | 0 | 113.2 | G1029 Q1031 | P677-G1029 WeakPolarHBondContact CG-O 3.31Å; P677-Q1031 HydrophobicContact CG-CB 4.22Å | ||
| 678 | G | 30.1 | Very low | 36.2 | Very low | 72 Ų | 72 | 117 Ų | 117 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 145.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 679 | A | 31 | Very low | 36.2 | Very low | 76 Ų | 76 | 112.7 Ų | 112.7 | 63% | 0.628 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 131.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 680 | P | 35.5 | Very low | 35.7 | Very low | 130 Ų | 130 | 113.3 Ų | 113.3 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 150.9 | 174.9 | -23 | 34.9 | 0 | 0 | 0 | 114.2 | ||
| 681 | G | 36.4 | Very low | 36.1 | Very low | 75 Ų | 75 | 110.4 Ų | 110.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -84 | 145.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 682 | P | 33.6 | Very low | 36.3 | Very low | 137 Ų | 137 | 107.7 Ų | 107.7 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 168.2 | 173.1 | 35 | -35.2 | 0 | 0 | 0 | 113.4 | ||
| 683 | K | 30.4 | Very low | 35.8 | Very low | 208 Ų | 208 | 107.4 Ų | 107.4 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | trans | -131 | 107.9 | -161.7 | 177 | -172.2 | 174.2 | -176 | 0 | 114.3 | ||||
| 684 | G | 39.3 | Very low | 36 | Very low | 82 Ų | 82 | 107.3 Ų | 107.3 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | 62.4 | 133.9 | 141.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 685 | S | 29.8 | Very low | 36.6 | Very low | 119 Ų | 119 | 110.8 Ų | 110.8 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -151.2 | 73 | 164.5 | 64 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 686 | I | 32.2 | Very low | 36.7 | Very low | 178 Ų | 178 | 111.8 Ų | 111.8 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | 35.1 | 121.7 | 146.2 | -53.1 | 175.4 | 0 | 0 | 0 | 121.7 | ||||
| 687 | G | 46.3 | Very low | 36.9 | Very low | 67 Ų | 67 | 113.9 Ų | 113.9 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | 98.1 | 156.1 | 133.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 688 | P | 39.3 | Very low | 37 | Very low | 140 Ų | 140 | 119 Ų | 119 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | cis | -106.3 | -178 | 0.9 | 40.2 | -32.5 | 0 | 0 | 0 | 115.3 | ||||
| 689 | A | 37.2 | Very low | 37.7 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | trans | -99 | 179.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 690 | G | 34.9 | Very low | 37.9 | Very low | 79 Ų | 79 | 121 Ų | 121 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | cis | -163.9 | -163.4 | 7.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 691 | G | 47 | Very low | 38.3 | Very low | 76 Ų | 76 | 120.9 Ų | 120.9 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | cis | -144.7 | -147.7 | 13.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 692 | I | 40.8 | Very low | 38.7 | Very low | 184 Ų | 184 | 120.2 Ų | 120.2 | 94% | 0.944 | 81% | 0.813 | S | S | * | * | trans | -133.7 | 148.7 | -142.6 | -69.4 | 165.1 | 0 | 0 | 0 | 115.5 | ||||
| 693 | G | 34.8 | Very low | 38.9 | Very low | 64 Ų | 64 | 123 Ų | 123 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | trans | 136.9 | 137.7 | 150 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 694 | S | 41.2 | Very low | 39.4 | Very low | 122 Ų | 122 | 122 Ų | 122 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | cis | -156.4 | 161.4 | -5.7 | -69.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 695 | P | 43.5 | Very low | 39.8 | Very low | 136 Ų | 136 | 121.2 Ų | 121.2 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -128.2 | 173.6 | -167.5 | 41.3 | -25.9 | 0 | 0 | 0 | 117.7 | ||||
| 696 | G | 40.8 | Very low | 40.4 | Very low | 72 Ų | 72 | 121.7 Ų | 121.7 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 130.8 | 147.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 697 | E | 38.1 | Very low | 40.9 | Very low | 208 Ų | 208 | 121 Ų | 121 | 97% | 0.972 | 80% | 0.804 | S | S | * | * | cis | -149.1 | -160.3 | 4.7 | -70.6 | -154 | 102.7 | 0 | 0 | 114.4 | ||||
| 698 | K | 35.2 | Very low | 40.6 | Very low | 168 Ų | 168 | 121.3 Ų | 121.3 | 73% | 0.73 | 81% | 0.806 | S | S | * | * | trans | -135.5 | 164.9 | -160.1 | 162.4 | -174.4 | 173.7 | -63.2 | 0 | 110.8 | D700 | K698-D700 WeakPolarHBondContact CE-OD1 3.49Å; K698-D700 IonicContact NZ-OD1 2.71Å; K698-D700 PolarHBondContact NZ-OD1 2.91Å; K698-D700 IonicContact NZ-OD2 3.63Å; K698-D700 PolarHBondContact NZ-OD2 3.32Å | ||
| 699 | G | 43.8 | Very low | 40.4 | Very low | 68 Ų | 68 | 123 Ų | 123 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | cis | -159.7 | -137.8 | 8.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 700 | D | 36.8 | Very low | 40.2 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 64% | 0.642 | 81% | 0.805 | S | S | * | * | cis | -157.1 | 160.6 | -5.5 | -95 | -22.3 | 0 | 0 | 0 | 111.3 | K698 | K698-D700 WeakPolarHBondContact CE-OD1 3.49Å; K698-D700 IonicContact NZ-OD1 2.71Å; K698-D700 PolarHBondContact NZ-OD1 2.91Å; K698-D700 IonicContact NZ-OD2 3.63Å; K698-D700 PolarHBondContact NZ-OD2 3.32Å | ||
| 701 | P | 42.7 | Very low | 40.4 | Very low | 128 Ų | 128 | 123 Ų | 123 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -102 | 179.4 | 178.3 | 40.3 | -35.8 | 0 | 0 | 0 | 114.2 | ||||
| 702 | G | 44.1 | Very low | 40 | Very low | 62 Ų | 62 | 125.9 Ų | 125.9 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | cis | 152 | 149.1 | -3.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 703 | H | 39.4 | Very low | 39.7 | Very low | 196 Ų | 196 | 124 Ų | 124 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | -140.5 | 156.1 | -176.2 | -82.5 | -56.8 | 0 | 0 | 0 | 116.3 | ||||
| 704 | M | 41.1 | Very low | 39.7 | Very low | 186 Ų | 186 | 123.9 Ų | 123.9 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -147 | 172.8 | -176.1 | -68 | 174.1 | 64.4 | 0 | 0 | 109.9 | ||||
| 705 | G | 47.3 | Very low | 39.7 | Very low | 66 Ų | 66 | 124.7 Ų | 124.7 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | cis | -142.2 | -117.4 | 5.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 706 | P | 41.2 | Very low | 39.4 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | cis | -124.7 | 175.3 | 7.1 | 42.9 | -29.3 | 0 | 0 | 0 | 115.8 | ||||
| 707 | L | 43.2 | Very low | 39.1 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -90.6 | 169.2 | 163.8 | -75.6 | 71.2 | 0 | 0 | 0 | 109.2 | ||||
| 708 | G | 40.8 | Very low | 39.1 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | cis | 149.3 | 168.8 | 3.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 709 | L | 34.2 | Very low | 39.2 | Very low | 177 Ų | 177 | 122.9 Ų | 122.9 | 93% | 0.927 | 80% | 0.801 | S | S | * | * | trans | -152.2 | 142.3 | 172.1 | -108.7 | 175.6 | 0 | 0 | 0 | 112 | ||||
| 710 | S | 34.2 | Very low | 38.8 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -121.4 | 156.2 | 178.3 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 711 | G | 37.3 | Very low | 39 | Very low | 67 Ų | 67 | 123.9 Ų | 123.9 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | trans | -79.5 | 178.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 712 | P | 38.9 | Very low | 38.5 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 144.2 | -178.6 | 32.6 | -35.1 | 0 | 0 | 0 | 112.9 | ||
| 713 | V | 36 | Very low | 38.3 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 144.9 | 170.2 | 176 | 0 | 0 | 0 | 0 | 108.9 | ||
| 714 | G | 34.2 | Very low | 38.1 | Very low | 60 Ų | 60 | 125.1 Ų | 125.1 | 62% | 0.619 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 170.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 715 | P | 40.1 | Very low | 38 | Very low | 140 Ų | 140 | 119.6 Ų | 119.6 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 129.3 | -177.2 | 29.5 | -34.6 | 0 | 0 | 0 | 112.5 | ||
| 716 | R | 38.5 | Very low | 38.1 | Very low | 244 Ų | 244 | 118.6 Ų | 118.6 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 134.1 | 171.3 | -174.2 | 173.9 | 178.6 | 166.1 | 0.2 | 109.7 | ||
| 717 | G | 34.3 | Very low | 37.8 | Very low | 68 Ų | 68 | 120.5 Ų | 120.5 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 161 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 718 | A | 37.2 | Very low | 37.4 | Very low | 104 Ų | 104 | 118.3 Ų | 118.3 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 121.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 719 | P | 37.6 | Very low | 37.8 | Very low | 129 Ų | 129 | 118.2 Ų | 118.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 148.9 | 169.2 | -12.6 | 30.5 | 0 | 0 | 0 | 112.7 | ||
| 720 | G | 36.6 | Very low | 38.2 | Very low | 73 Ų | 73 | 115.2 Ų | 115.2 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 161.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 721 | P | 39.4 | Very low | 38.3 | Very low | 137 Ų | 137 | 113.8 Ų | 113.8 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 159.7 | -177.4 | 36.9 | -35.5 | 0 | 0 | 0 | 114.6 | ||
| 722 | R | 33.8 | Very low | 38.4 | Very low | 252 Ų | 252 | 111.6 Ų | 111.6 | 95% | 0.951 | 74% | 0.735 | S | S | * | * | trans | -113.3 | 140.9 | 173.1 | -172 | 175.5 | -178.4 | 171.7 | 0.4 | 109.9 | ||||
| 723 | G | 39.7 | Very low | 38.6 | Very low | 80 Ų | 80 | 114.2 Ų | 114.2 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | trans | -91 | -178.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 724 | A | 34.6 | Very low | 38.4 | Very low | 80 Ų | 80 | 115.6 Ų | 115.6 | 66% | 0.661 | 73% | 0.727 | S | S | * | * | trans | -132.2 | 148.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 725 | P | 38.8 | Very low | 38.7 | Very low | 70 Ų | 70 | 115.5 Ų | 115.5 | 46% | 0.455 | 73% | 0.726 | S | S | . | * | trans | -100.2 | -168.3 | -172.2 | 41.9 | -40.4 | 0 | 0 | 0 | 114.1 | G837 Q839 | P725-G837 WeakPolarHBondContact CG-O 3.45Å; P725-Q839 WeakPolarHBondContact O-CA 3.42Å; P725-Q839 WeakPolarHBondContact O-CB 3.46Å | ||
| 726 | G | 49.6 | Very low | 38.8 | Very low | 45 Ų | 45 | 115.6 Ų | 115.6 | 46% | 0.464 | 72% | 0.719 | S | S | . | * | trans | -157.3 | -156.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q839 | G726-Q839 VanDerWaalsContact CA-OE1 3.31Š| ||
| 727 | Q | 34.4 | Very low | 38.6 | Very low | 168 Ų | 168 | 113.6 Ų | 113.6 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | trans | -133.2 | 135.6 | -174.5 | -67 | -169.2 | -2.2 | 0 | 0 | 116.6 | ||||
| 728 | S | 36.2 | Very low | 38.9 | Very low | 118 Ų | 118 | 113.7 Ų | 113.7 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | 44.4 | 119.7 | 140.2 | -54.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 729 | G | 47.4 | Very low | 39.3 | Very low | 70 Ų | 70 | 115 Ų | 115 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | trans | -86.7 | -160.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 730 | P | 44.6 | Very low | 39.4 | Very low | 115 Ų | 115 | 115.9 Ų | 115.9 | 75% | 0.747 | 72% | 0.724 | S | S | * | * | -163.1 | 177 | 85.1 | 44.8 | -24.6 | 0 | 0 | 0 | 120.1 | |||||
| 731 | V | 35.2 | Very low | 39.5 | Very low | 89 Ų | 89 | 115.2 Ų | 115.2 | 54% | 0.539 | 72% | 0.717 | S | S | . | * | trans | 71 | 137.9 | 159.8 | -161.8 | 0 | 0 | 0 | 0 | 120.9 | F733 Q1123 | V731-F733 HydrophobicContact CG1-CE2 4.31Å; V731-Q1123 VanDerWaalsContact C-CD 3.47Å; V731-Q1123 PolarHBondContact O-NE2 3.46Å; V731-Q1123 PolarHBondContact O-OE1 3.01Å | ||
| 732 | G | 39 | Very low | 39.8 | Very low | 21 Ų | 21 | 114.9 Ų | 114.9 | 22% | 0.216 | 72% | 0.715 | C | S | . | * | trans | -159.9 | 176.2 | 167 | 0 | 0 | 0 | 0 | 0 | 115 | Q1121 | G732-Q1121 PolarHBondContact O-NE2 3.44Š| ||
| 733 | F | 43.6 | Very low | 40.2 | Very low | 191 Ų | 191 | 109.8 Ų | 109.8 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | trans | -136 | 134.3 | 179 | -66.7 | -82.7 | 0 | 0 | 0 | 109.4 | V731 | V731-F733 HydrophobicContact CG1-CE2 4.31Š| ||
| 734 | K | 32.7 | Very low | 40.3 | Very low | 174 Ų | 174 | 108.8 Ų | 108.8 | 76% | 0.757 | 70% | 0.702 | S | S | * | * | 62.4 | 130.7 | 101.4 | -157.2 | -167.1 | 175 | -91.5 | 0 | 114.4 | D736 | K734-D736 IonicContact NZ-OD1 2.92Å; K734-D736 PolarHBondContact NZ-OD1 2.93Å | |||
| 735 | G | 38.9 | Very low | 40.9 | Very low | 58 Ų | 58 | 110.9 Ų | 110.9 | 60% | 0.598 | 71% | 0.709 | S | S | * | * | trans | -133.2 | -175.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 736 | D | 43.3 | Very low | 40.8 | Very low | 141 Ų | 141 | 114 Ų | 114 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | trans | -143.2 | -172 | -172.4 | -58.9 | -65.6 | 0 | 0 | 0 | 111.7 | K734 | K734-D736 IonicContact NZ-OD1 2.92Å; K734-D736 PolarHBondContact NZ-OD1 2.93Å | ||
| 737 | E | 34 | Very low | 40.2 | Very low | 202 Ų | 202 | 115.4 Ų | 115.4 | 94% | 0.944 | 74% | 0.744 | S | S | * | * | trans | -80.8 | 173.1 | -160.7 | -62.9 | 162.9 | 107.5 | 0 | 0 | 116.3 | ||||
| 738 | G | 40.7 | Very low | 40.4 | Very low | 71 Ų | 71 | 112.8 Ų | 112.8 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | -130.4 | 174.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 739 | P | 45.5 | Very low | 40.3 | Very low | 132 Ų | 132 | 112.2 Ų | 112.2 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | trans | -113 | 156.3 | -173.8 | 39.1 | -30.6 | 0 | 0 | 0 | 116.6 | ||||
| 740 | T | 39 | Very low | 39.7 | Very low | 146 Ų | 146 | 112.3 Ų | 112.3 | 90% | 0.896 | 76% | 0.755 | S | S | * | * | trans | -42.8 | 145.9 | 174.8 | -44.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 741 | G | 39.5 | Very low | 39.3 | Very low | 59 Ų | 59 | 111.7 Ų | 111.7 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | trans | -104.1 | -167.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 742 | P | 45.3 | Very low | 39.1 | Very low | 131 Ų | 131 | 116.2 Ų | 116.2 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | -88 | 154.4 | -176.6 | 34.8 | -34.7 | 0 | 0 | 0 | 114.2 | ||||
| 743 | T | 42.1 | Very low | 38.9 | Very low | 145 Ų | 145 | 118.3 Ų | 118.3 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -88.4 | 141.7 | 175.4 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 744 | G | 41.9 | Very low | 38.7 | Very low | 59 Ų | 59 | 115.6 Ų | 115.6 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | trans | -93.5 | -175.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 745 | P | 47.2 | Very low | 38.8 | Very low | 123 Ų | 123 | 117.7 Ų | 117.7 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 146.3 | 177.1 | 30.4 | -34.8 | 0 | 0 | 0 | 112.5 | ||
| 746 | P | 37.5 | Very low | 38.3 | Very low | 135 Ų | 135 | 118.1 Ų | 118.1 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 145.8 | 175.8 | -23 | 34.5 | 0 | 0 | 0 | 113.8 | ||
| 747 | G | 37.3 | Very low | 38 | Very low | 76 Ų | 76 | 116.9 Ų | 116.9 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 158.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 748 | A | 38.5 | Very low | 37.8 | Very low | 113 Ų | 113 | 113.4 Ų | 113.4 | 93% | 0.934 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 147.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 749 | A | 32.3 | Very low | 37.2 | Very low | 106 Ų | 106 | 113.1 Ų | 113.1 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | trans | -130.5 | 146.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 750 | G | 36.3 | Very low | 36.7 | Very low | 72 Ų | 72 | 116.7 Ų | 116.7 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | 98.4 | 166.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 751 | P | 34.5 | Very low | 36.3 | Very low | 102 Ų | 102 | 116 Ų | 116 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | cis | -97.6 | 157.4 | 3.1 | 36.9 | -33.3 | 0 | 0 | 0 | 114.5 | G1092 | P751-G1092 WeakPolarHBondContact CB-O 3.39Š|
| 752 | Q | 32.3 | Very low | 35.7 | Very low | 184 Ų | 184 | 116.5 Ų | 116.5 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 142.6 | 170.1 | -171.4 | 175 | 2.4 | 0 | 0 | 110.1 | ||
| 753 | G | 33.9 | Very low | 35.2 | Very low | 64 Ų | 64 | 117 Ų | 117 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 160 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 754 | P | 39.8 | Very low | 34.9 | Very low | 134 Ų | 134 | 115.9 Ų | 115.9 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72 | 131.7 | 174.1 | 30.2 | -33.9 | 0 | 0 | 0 | 111.9 | ||
| 755 | R | 34.3 | Very low | 34.4 | Very low | 218 Ų | 218 | 116 Ų | 116 | 82% | 0.823 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 137.2 | 169.4 | -178 | 177.5 | 178.5 | 179.7 | -1.4 | 109.3 | ||
| 756 | G | 29.7 | Very low | 33.8 | Very low | 67 Ų | 67 | 116.2 Ų | 116.2 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 142.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 757 | S | 36.5 | Very low | 33.5 | Very low | 115 Ų | 115 | 115.5 Ų | 115.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 123.4 | 168.4 | 48.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 758 | P | 30.6 | Very low | 33.2 | Very low | 129 Ų | 129 | 115.6 Ų | 115.6 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 153.9 | 172.9 | -23 | 35.1 | 0 | 0 | 0 | 112.4 | ||
| 759 | G | 27.4 | Very low | 33 | Very low | 66 Ų | 66 | 118.2 Ų | 118.2 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 164.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 760 | F | 35.2 | Very low | 33 | Very low | 206 Ų | 206 | 118.7 Ų | 118.7 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | -88.8 | 110.7 | 146.2 | -74.7 | -104.9 | 0 | 0 | 0 | 105.4 | ||||
| 761 | V | 30.3 | Very low | 32.8 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | 51.5 | 93.3 | 82 | -175 | 0 | 0 | 0 | 0 | 109 | |||||
| 762 | G | 27.7 | Very low | 32.7 | Very low | 69 Ų | 69 | 121.2 Ų | 121.2 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 161.7 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 763 | V | 34.9 | Very low | 32.7 | Very low | 142 Ų | 142 | 117.1 Ų | 117.1 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 119.8 | 165.7 | -173.9 | 0 | 0 | 0 | 0 | 107.8 | ||
| 764 | P | 35.5 | Very low | 33.2 | Very low | 121 Ų | 121 | 116.4 Ų | 116.4 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 150 | 177.7 | -27.4 | 36.6 | 0 | 0 | 0 | 113.4 | ||
| 765 | G | 29.9 | Very low | 33 | Very low | 61 Ų | 61 | 116.1 Ų | 116.1 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 151.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 766 | P | 35.3 | Very low | 32.9 | Very low | 128 Ų | 128 | 110.5 Ų | 110.5 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 127.9 | 172.3 | -23.2 | 33.9 | 0 | 0 | 0 | 111.4 | ||
| 767 | P | 31.4 | Very low | 33.6 | Very low | 120 Ų | 120 | 110.6 Ų | 110.6 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 145.6 | 176.5 | -26.4 | 35.7 | 0 | 0 | 0 | 112.8 | L769 | P767-L769 PolarHBondContact O-N 3.41Š|
| 768 | G | 30.8 | Very low | 33.3 | Very low | 78 Ų | 78 | 113.7 Ų | 113.7 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 123.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 769 | L | 35.2 | Very low | 33.7 | Very low | 168 Ų | 168 | 113.4 Ų | 113.4 | 88% | 0.88 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 144.4 | 172.6 | -75.6 | 174.2 | 0 | 0 | 0 | 110.9 | P767 | P767-L769 PolarHBondContact O-N 3.41Š|
| 770 | P | 32.4 | Very low | 34.1 | Very low | 116 Ų | 116 | 112 Ų | 112 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -81 | 157.9 | -152.5 | -16.8 | 33.9 | 0 | 0 | 0 | 114 | ||
| 771 | G | 30.6 | Very low | 33.8 | Very low | 70 Ų | 70 | 108.6 Ų | 108.6 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 161.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P773 | G771-P773 WeakPolarHBondContact O-CD 3.37Š|
| 772 | R | 33.5 | Very low | 33.8 | Very low | 156 Ų | 156 | 111.8 Ų | 111.8 | 59% | 0.589 | 73% | 0.728 | S | S | * | * | trans | -102.7 | 107.6 | 170.1 | -71.9 | -163.8 | 170.8 | -132.8 | -4.3 | 110.4 | G774 K1069 M1070 | R772-G774 PolarHBondContact O-N 3.28Å; R772-K1069 PolarHBondContact NH1-O 3.4Å; R772-M1070 WeakPolarHBondContact CD-O 3.25Å; R772-M1070 PolarHBondContact NH1-O 3.48Å | ||
| 773 | P | 33 | Very low | 33.8 | Very low | 99 Ų | 99 | 110.4 Ų | 110.4 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | trans | -54 | 135.6 | 169 | -26.8 | 36 | 0 | 0 | 0 | 111.2 | G771 | G771-P773 WeakPolarHBondContact O-CD 3.37Š| ||
| 774 | G | 43 | Very low | 33.7 | Very low | 48 Ų | 48 | 111 Ų | 111 | 50% | 0.495 | 71% | 0.708 | S | S | . | * | trans | -74.3 | -177.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R772 A776 | R772-G774 PolarHBondContact O-N 3.28Å; G774-A776 PolarHBondContact O-N 2.77Å; G774-A776 VanDerWaalsContact O-N 3.11Å | ||
| 775 | P | 36 | Very low | 33.3 | Very low | 129 Ų | 129 | 111 Ų | 111 | 84% | 0.838 | 71% | 0.708 | S | S | * | * | trans | -69.2 | 103.3 | 161.7 | 30.8 | -30.5 | 0 | 0 | 0 | 108.6 | G777 | P775-G777 PolarHBondContact O-N 3.17Š| ||
| 776 | A | 31.3 | Very low | 33.2 | Very low | 100 Ų | 100 | 111.1 Ų | 111.1 | 83% | 0.826 | 71% | 0.709 | S | S | * | * | trans | -58 | 126.6 | 154 | 0 | 0 | 0 | 0 | 0 | 107.4 | G774 | G774-A776 PolarHBondContact O-N 2.77Å; G774-A776 VanDerWaalsContact O-N 3.11Å | ||
| 777 | G | 44.9 | Very low | 33 | Very low | 69 Ų | 69 | 114 Ų | 114 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | -75.6 | -176.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P775 | P775-G777 PolarHBondContact O-N 3.17Š| ||
| 778 | L | 31.2 | Very low | 33.1 | Very low | 179 Ų | 179 | 113.4 Ų | 113.4 | 94% | 0.937 | 71% | 0.708 | S | S | * | * | trans | -153.7 | 145.9 | 150.8 | -109.5 | 169.5 | 0 | 0 | 0 | 110 | ||||
| 779 | L | 37.4 | Very low | 32.9 | Very low | 123 Ų | 123 | 110.6 Ų | 110.6 | 64% | 0.644 | 68% | 0.679 | S | S | * | * | trans | -90.8 | 145.3 | 178.1 | -178.9 | 74.8 | 0 | 0 | 0 | 109.3 | ||||
| 780 | G | 35.9 | Very low | 32.8 | Very low | 38 Ų | 38 | 109.2 Ų | 109.2 | 39% | 0.392 | 67% | 0.671 | S | S | . | * | trans | 136.7 | 144.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 781 | D | 29.9 | Very low | 33.1 | Very low | 134 Ų | 134 | 109.3 Ų | 109.3 | 72% | 0.717 | 67% | 0.672 | S | S | * | * | cis | -133.6 | 131.3 | 9 | -76.3 | -48.6 | 0 | 0 | 0 | 113.7 | V527 | V527-D781 PolarHBondContact N-O 3.03Š| ||
| 782 | R | 29.4 | Very low | 33.1 | Very low | 199 Ų | 199 | 110 Ų | 110 | 75% | 0.751 | 68% | 0.678 | S | S | * | * | 40.4 | 122.1 | 122.2 | -163.2 | -177.6 | -170.9 | 156.5 | 3.2 | 118.8 | Q524 | Q524-R782 VanDerWaalsContact OE1-CG 3.23Š| |||
| 783 | G | 28 | Very low | 33.4 | Very low | 41 Ų | 41 | 111.3 Ų | 111.3 | 42% | 0.423 | 69% | 0.691 | S | S | . | * | trans | 167 | 48.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | P785 | G783-P785 WeakPolarHBondContact O-CD 3.35Š| ||
| 784 | E | 32.8 | Very low | 33.6 | Very low | 153 Ų | 153 | 114.6 Ų | 114.6 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | trans | -90.5 | 123.7 | 161.6 | -47 | 162.2 | 105.9 | 0 | 0 | 109.4 | Q524 | Q524-E784 VanDerWaalsContact CD-N 3.27Å; Q524-E784 HydrophobicContact CG-CG 4.07Å; Q524-E784 WeakPolarHBondContact CG-OE2 3.45Å; Q524-E784 PolarHBondContact NE2-O 2.73Å; Q524-E784 PolarHBondContact NE2-OE2 3.45Å | ||
| 785 | P | 28.3 | Very low | 33.4 | Very low | 123 Ų | 123 | 115.3 Ų | 115.3 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | trans | -122.3 | 112 | 171.2 | 22.6 | -0.6 | 0 | 0 | 0 | 112.2 | G783 | G783-P785 WeakPolarHBondContact O-CD 3.35Š| ||
| 786 | G | 26 | Very low | 33.5 | Very low | 63 Ų | 63 | 114.9 Ų | 114.9 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | trans | 62.7 | 108.9 | 142.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 787 | E | 32.9 | Very low | 33.7 | Very low | 188 Ų | 188 | 118.2 Ų | 118.2 | 88% | 0.879 | 71% | 0.708 | S | S | * | * | 71.5 | 178.7 | 123 | -62.4 | -177.2 | 100.4 | 0 | 0 | 119 | |||||
| 788 | P | 32.2 | Very low | 33.3 | Very low | 108 Ų | 108 | 118.3 Ų | 118.3 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | -144.1 | 157.6 | -82.9 | 42.6 | -24.2 | 0 | 0 | 0 | 118.6 | |||||
| 789 | G | 27.5 | Very low | 33.4 | Very low | 19 Ų | 19 | 118.7 Ų | 118.7 | 20% | 0.196 | 71% | 0.708 | C | S | . | * | trans | 71.8 | 158.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | A425 G426 | A425-G789 CarbonylContact C-O 3.57Å; G426-G789 CarbonylContact C-O 3.53Å; G426-G789 WeakPolarHBondContact CA-O 3.47Å; G426-G789 PolarHBondContact N-O 2.56Å | ||
| 790 | I | 33.2 | Very low | 33.2 | Very low | 139 Ų | 139 | 119.4 Ų | 119.4 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | cis | -152.5 | 175.3 | -7.3 | 14.5 | 177.2 | 0 | 0 | 0 | 109.3 | P427 | P427-I790 WeakPolarHBondContact CD-O 3.32Š| ||
| 791 | P | 38.3 | Very low | 33.6 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | trans | -104.4 | -176.1 | -149.4 | 42.1 | -39.8 | 0 | 0 | 0 | 117.9 | ||||
| 792 | G | 31.5 | Very low | 33.8 | Very low | 83 Ų | 83 | 121 Ų | 121 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | trans | -171.5 | 131.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 793 | E | 39.8 | Very low | 34.2 | Very low | 185 Ų | 185 | 117.3 Ų | 117.3 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | trans | -98.3 | -166.6 | -154.1 | -167.8 | 176.8 | -132.1 | 0 | 0 | 117 | ||||
| 794 | I | 36.7 | Very low | 34.9 | Very low | 168 Ų | 168 | 118.6 Ų | 118.6 | 86% | 0.862 | 75% | 0.751 | S | S | * | * | trans | 88.8 | 135.4 | 162.5 | -51.3 | 167 | 0 | 0 | 0 | 115.4 | ||||
| 795 | G | 38.8 | Very low | 35 | Very low | 62 Ų | 62 | 120 Ų | 120 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | cis | -174.4 | 174.6 | -1.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 796 | P | 38.3 | Very low | 35.2 | Very low | 120 Ų | 120 | 121.1 Ų | 121.1 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | -146.6 | 145.9 | 60.2 | 38.7 | -19.7 | 0 | 0 | 0 | 118.2 | |||||
| 797 | I | 34.6 | Very low | 36.1 | Very low | 171 Ų | 171 | 121.5 Ų | 121.5 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | 31.5 | 120.7 | 128.3 | -48.2 | 174.4 | 0 | 0 | 0 | 118.3 | |||||
| 798 | G | 37 | Very low | 36.4 | Very low | 70 Ų | 70 | 121 Ų | 121 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | -124.5 | -158 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 799 | M | 33.1 | Very low | 36.5 | Very low | 188 Ų | 188 | 122.8 Ų | 122.8 | 93% | 0.926 | 76% | 0.756 | S | S | * | * | trans | -133.8 | 128.3 | 170.4 | -81.7 | -167.4 | 67.9 | 0 | 0 | 113.4 | ||||
| 800 | V | 32.8 | Very low | 37 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -72 | 152.6 | 164.2 | -178 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 801 | G | 45.8 | Very low | 37.2 | Very low | 60 Ų | 60 | 123.4 Ų | 123.4 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | cis | 121.9 | 137.3 | 9.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 802 | V | 34 | Very low | 37.2 | Very low | 145 Ų | 145 | 122.8 Ų | 122.8 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -140.3 | 114.6 | 177.9 | -166.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 803 | P | 36.4 | Very low | 37.5 | Very low | 121 Ų | 121 | 122 Ų | 122 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -68.7 | 166.1 | 170.4 | -18.3 | 32.8 | 0 | 0 | 0 | 112.5 | ||||
| 804 | G | 43 | Very low | 37.4 | Very low | 69 Ų | 69 | 121.2 Ų | 121.2 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | cis | 113.4 | 132.4 | 4.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 805 | Q | 34.7 | Very low | 37.5 | Very low | 182 Ų | 182 | 124 Ų | 124 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -165.9 | 131.4 | 163.5 | -109.8 | 172.9 | 11.9 | 0 | 0 | 112.5 | ||||
| 806 | I | 33.7 | Very low | 37.7 | Very low | 146 Ų | 146 | 123.9 Ų | 123.9 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | 39.5 | 134.2 | 129.6 | -54.4 | 174.4 | 0 | 0 | 0 | 119.3 | |||||
| 807 | G | 43.2 | Very low | 37.9 | Very low | 72 Ų | 72 | 124.1 Ų | 124.1 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | cis | 117.6 | 78.4 | -11.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 808 | E | 39.3 | Very low | 37.9 | Very low | 178 Ų | 178 | 122.1 Ų | 122.1 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -148.8 | 163.3 | 170.9 | -68.5 | -171.7 | 156.6 | 0 | 0 | 109.7 | ||||
| 809 | Q | 35.9 | Very low | 38.2 | Very low | 144 Ų | 144 | 122.4 Ų | 122.4 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | cis | -156 | 155.1 | -38.8 | 178.4 | 159.2 | -51.5 | 0 | 0 | 107 | ||||
| 810 | G | 37.6 | Very low | 38.5 | Very low | 76 Ų | 76 | 119.8 Ų | 119.8 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | -71.8 | 151.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 811 | A | 37.7 | Very low | 38.6 | Very low | 96 Ų | 96 | 124.6 Ų | 124.6 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | trans | -108.1 | 159.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 812 | P | 36.6 | Very low | 38.5 | Very low | 105 Ų | 105 | 125.3 Ų | 125.3 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -85.9 | 158.4 | -156.7 | -13.5 | 31.6 | 0 | 0 | 0 | 116.5 | ||||
| 813 | G | 38.3 | Very low | 38.5 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | -72.7 | 138.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R502 | R502-G813 PolarHBondContact NH2-O 2.87Š| ||
| 814 | E | 38.5 | Very low | 38.1 | Very low | 169 Ų | 169 | 127 Ų | 127 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -114.6 | 159.7 | -177.4 | -71 | -93.3 | 90.9 | 0 | 0 | 112.2 | R502 | R502-E814 IonicContact NH2-OE1 3.72Å; R502-E814 PolarHBondContact NH2-OE1 3.48Å | ||
| 815 | R | 37.8 | Very low | 37.8 | Very low | 227 Ų | 227 | 126.8 Ų | 126.8 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 134 | -161.9 | 177.8 | -179.3 | -68.4 | 157.8 | -2.3 | 113.6 | ||
| 816 | G | 43.6 | Very low | 37.9 | Very low | 59 Ų | 59 | 126 Ų | 126 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 152.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 817 | P | 42 | Very low | 37.8 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 145.1 | -177 | 31.3 | -35.2 | 0 | 0 | 0 | 113.2 | ||
| 818 | P | 35.6 | Very low | 37.2 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 146.8 | 173.9 | -19.4 | 32.9 | 0 | 0 | 0 | 113.6 | ||
| 819 | G | 42.5 | Very low | 37.4 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 133.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 820 | P | 38.8 | Very low | 37.2 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 125.6 | 176.4 | 29.5 | -33.2 | 0 | 0 | 0 | 112.1 | ||
| 821 | R | 35 | Very low | 37 | Very low | 240 Ų | 240 | 125.4 Ų | 125.4 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 137.6 | 174.5 | 176.2 | -177.6 | 179.4 | 178.5 | 0.5 | 110.8 | P823 | R821-P823 WeakPolarHBondContact O-CD 3.48Š|
| 822 | G | 43.7 | Very low | 37 | Very low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 138.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 823 | P | 33.6 | Very low | 36.7 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | trans | -124.8 | 128.9 | 154.4 | 30.1 | -13.7 | 0 | 0 | 0 | 110.9 | R821 | R821-P823 WeakPolarHBondContact O-CD 3.48Š| ||
| 824 | Q | 29.9 | Very low | 36.7 | Very low | 193 Ų | 193 | 132.4 Ų | 132.4 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | 79 | 128.5 | 79 | -166.7 | 175.5 | 4 | 0 | 0 | 113.7 | |||||
| 825 | G | 36.5 | Very low | 36.7 | Very low | 64 Ų | 64 | 132.2 Ų | 132.2 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | trans | -77.6 | -168.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 826 | I | 35.8 | Very low | 36.3 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | cis | -136.8 | -101 | 20.5 | -39.6 | 175.2 | 0 | 0 | 0 | 115 | ||||
| 827 | P | 31.8 | Very low | 36.1 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | -100.4 | 178.8 | -123.7 | 20.2 | -1.4 | 0 | 0 | 0 | 116.1 | |||||
| 828 | G | 30.1 | Very low | 35.8 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -157.2 | -169 | -174.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 829 | K | 43.7 | Very low | 35.6 | Very low | 210 Ų | 210 | 128.1 Ų | 128.1 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | 69.3 | 159.2 | -163.5 | -68.9 | -175 | 179.4 | 179.8 | 0 | 113.1 | ||||
| 830 | P | 32.8 | Very low | 35.5 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | cis | -119.1 | -152.2 | 13.3 | 41.8 | -25.8 | 0 | 0 | 0 | 114.6 | ||||
| 831 | G | 32.9 | Very low | 35.3 | Very low | 61 Ų | 61 | 128.7 Ų | 128.7 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | trans | -160.6 | -144.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 832 | V | 36.8 | Very low | 35.2 | Very low | 150 Ų | 150 | 124.9 Ų | 124.9 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | 75 | 145.6 | -168.1 | -152.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 833 | E | 30.7 | Very low | 35 | Very low | 195 Ų | 195 | 122.8 Ų | 122.8 | 91% | 0.911 | 73% | 0.73 | S | S | * | * | cis | -136.5 | -179 | 34.1 | -64 | 171.8 | 139.6 | 0 | 0 | 115.1 | ||||
| 834 | G | 38.5 | Very low | 35.3 | Very low | 68 Ų | 68 | 122.4 Ų | 122.4 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | trans | -170.8 | 160.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 835 | I | 37.9 | Very low | 35.6 | Very low | 164 Ų | 164 | 118.4 Ų | 118.4 | 84% | 0.841 | 71% | 0.705 | S | S | * | * | trans | -162.1 | 154.7 | -174.8 | 33.7 | 168.8 | 0 | 0 | 0 | 108.1 | ||||
| 836 | E | 30.2 | Very low | 35.9 | Very low | 191 Ų | 191 | 117.6 Ų | 117.6 | 89% | 0.893 | 70% | 0.697 | S | S | * | * | cis | -157.5 | -166.2 | -13 | -139.3 | 174.7 | 169 | 0 | 0 | 108.6 | ||||
| 837 | G | 38.3 | Very low | 35.9 | Very low | 40 Ų | 40 | 114 Ų | 114 | 41% | 0.412 | 69% | 0.692 | S | S | . | * | trans | -177.2 | -172.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | P725 | P725-G837 WeakPolarHBondContact CG-O 3.45Š| ||
| 838 | V | 36.9 | Very low | 36 | Very low | 93 Ų | 93 | 111.7 Ų | 111.7 | 56% | 0.564 | 68% | 0.684 | S | S | * | * | trans | -169.6 | 173.7 | 174.2 | -89.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 839 | Q | 31.2 | Very low | 36.4 | Very low | 132 Ų | 132 | 111.5 Ų | 111.5 | 62% | 0.617 | 68% | 0.682 | S | S | * | * | cis | -170.3 | 168.3 | -34.9 | -177.2 | 168.1 | -19.5 | 0 | 0 | 107.2 | P725 G726 | P725-Q839 WeakPolarHBondContact O-CA 3.42Å; P725-Q839 WeakPolarHBondContact O-CB 3.46Å; G726-Q839 VanDerWaalsContact CA-OE1 3.31Å | ||
| 840 | G | 40.6 | Very low | 36.1 | Very low | 63 Ų | 63 | 107.4 Ų | 107.4 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | trans | -166 | 179.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 841 | E | 34 | Very low | 36.2 | Very low | 156 Ų | 156 | 107.3 Ų | 107.3 | 73% | 0.729 | 68% | 0.676 | S | S | * | * | trans | -176.4 | 167.5 | 179.1 | -93.8 | -72.7 | 58.8 | 0 | 0 | 108.3 | ||||
| 842 | K | 33.4 | Very low | 36.2 | Very low | 160 Ų | 160 | 107.1 Ų | 107.1 | 70% | 0.696 | 68% | 0.675 | S | S | * | * | cis | -164 | 174.4 | -22.9 | -154 | 179.3 | -149.2 | 74.9 | 0 | 109.1 | Q664 | Q664-K842 CarbonylContact O-C 3.57Š| ||
| 843 | G | 40 | Very low | 36.7 | Very low | 30 Ų | 30 | 106.5 Ų | 106.5 | 31% | 0.309 | 67% | 0.674 | S | S | . | * | trans | 177.7 | -173.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | G663 Q664 | G663-G843 CarbonylContact C-O 3.47Å; G663-G843 VanDerWaalsContact CA-O 3.24Å; G663-G843 WeakPolarHBondContact CA-O 3.22Å; Q664-G843 PolarHBondContact N-O 3.41Å; Q664-G843 WeakPolarHBondContact O-CA 3.27Å; Q664-G843 PolarHBondContact O-N 3.23Å; Q664-G843 VanDerWaalsContact O-N 3.07Å | ||
| 844 | T | 38.4 | Very low | 37 | Very low | 101 Ų | 101 | 103.1 Ų | 103.1 | 62% | 0.62 | 67% | 0.671 | S | S | * | * | trans | -140.9 | 137.4 | -176.4 | 51.4 | 0 | 0 | 0 | 0 | 118.1 | G663 Q664 | G663-T844 VanDerWaalsContact C-CA 3.46Å; G663-T844 CarbonylContact O-C 3.49Å; Q664-T844 PolarHBondContact NE2-O 3.46Å | ||
| 845 | K | 36.6 | Very low | 36.9 | Very low | 110 Ų | 110 | 102.6 Ų | 102.6 | 48% | 0.478 | 67% | 0.666 | S | S | . | * | trans | -110.8 | -161.4 | 167.5 | 89.7 | -101 | -173.8 | -81.3 | 0 | 113.2 | E662 G663 Q664 | E662-K845 WeakPolarHBondContact CA-O 3.42Å; E662-K845 VanDerWaalsContact CB-C 3.49Å; E662-K845 HydrophobicContact CB-CD 4.09Å; E662-K845 HydrophobicContact CB-CG 3.85Å; E662-K845 WeakPolarHBondContact CB-O 3.49Å; E662-K845 PolarHBondContact N-O 3.09Å; E662-K845 WeakPolarHBondContact O-CD 3.21Å; E662-K845 PolarHBondContact O-NZ 3.16Å; E662-K845 IonicContact OE2-NZ 2.7Å; E662-K845 PolarHBondContact OE2-NZ 2.93Å; G663-K845 VanDerWaalsContact N-N 3.2Å; G663-K845 VanDerWaalsContact O-CB 3.31Å; G663-K845 WeakPolarHBondContact O-CB 3.44Å; G663-K845 WeakPolarHBondContact O-CD 3.4Å; G663-K845 PolarHBondContact O-N 3.49Å; Q664-K845 HydrophobicContact CG-CB 4.5Å | ||
| 846 | G | 43.3 | Very low | 37.2 | Very low | 47 Ų | 47 | 101.3 Ų | 101.3 | 49% | 0.485 | 67% | 0.668 | S | S | . | * | cis | 168.9 | -156 | 2.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 847 | A | 35.3 | Very low | 37.4 | Very low | 92 Ų | 92 | 99 Ų | 99 | 76% | 0.76 | 67% | 0.667 | S | S | * | * | trans | -154.9 | 174.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 848 | A | 34.2 | Very low | 37.3 | Very low | 79 Ų | 79 | 100.1 Ų | 100.1 | 65% | 0.653 | 68% | 0.678 | S | S | * | * | trans | -79 | 164.8 | -163.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 849 | G | 38.1 | Very low | 37.2 | Very low | 67 Ų | 67 | 104.5 Ų | 104.5 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | trans | -109.5 | -178.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 850 | P | 37.8 | Very low | 37.4 | Very low | 124 Ų | 124 | 109.7 Ų | 109.7 | 81% | 0.805 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 166.1 | -171.9 | 35.5 | -36.5 | 0 | 0 | 0 | 114.9 | ||
| 851 | P | 35.7 | Very low | 37.2 | Very low | 130 Ų | 130 | 110.3 Ų | 110.3 | 84% | 0.844 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -81 | 161.5 | -177.1 | -9.2 | 27.9 | 0 | 0 | 0 | 114.2 | ||
| 852 | G | 32.8 | Very low | 37.5 | Very low | 58 Ų | 58 | 109.6 Ų | 109.6 | 60% | 0.598 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 164.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S854 | G852-S854 PolarHBondContact O-N 3.44Š|
| 853 | P | 47.4 | Very low | 37.5 | Very low | 137 Ų | 137 | 113.9 Ų | 113.9 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 128.7 | 175 | 29.3 | -33.7 | 0 | 0 | 0 | 110.8 | ||
| 854 | S | 36.7 | Very low | 37.4 | Very low | 123 Ų | 123 | 115.1 Ų | 115.1 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -89 | 136.3 | 167.8 | -61 | 0 | 0 | 0 | 0 | 109.5 | G852 | G852-S854 PolarHBondContact O-N 3.44Š|
| 855 | G | 36.9 | Very low | 37.4 | Very low | 57 Ų | 57 | 116.3 Ų | 116.3 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 167.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V857 | G855-V857 PolarHBondContact O-N 3.28Š|
| 856 | P | 43.7 | Very low | 37.2 | Very low | 137 Ų | 137 | 117.3 Ų | 117.3 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -66.5 | 105.6 | 173.8 | 28.2 | -33.5 | 0 | 0 | 0 | 110.4 | G858 | P856-G858 PolarHBondContact O-N 2.77Š| ||
| 857 | V | 34.9 | Very low | 37 | Very low | 144 Ų | 144 | 118.4 Ų | 118.4 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | trans | -68 | 126.6 | 170.4 | 176.8 | 0 | 0 | 0 | 0 | 108.5 | G855 | G855-V857 PolarHBondContact O-N 3.28Š| ||
| 858 | G | 35.3 | Very low | 37.4 | Very low | 62 Ų | 62 | 120.2 Ų | 120.2 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | trans | -62.7 | 149.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P856 R860 | P856-G858 PolarHBondContact O-N 2.77Å; G858-R860 PolarHBondContact O-N 3.49Å | ||
| 859 | L | 34.3 | Very low | 37.2 | Very low | 185 Ų | 185 | 122.4 Ų | 122.4 | 97% | 0.969 | 80% | 0.801 | S | S | * | * | trans | -67.5 | 89.8 | 175 | -79.2 | 168.5 | 0 | 0 | 0 | 111 | G861 | L859-G861 PolarHBondContact O-N 2.71Š| ||
| 860 | R | 36.4 | Very low | 37.2 | Very low | 242 Ų | 242 | 122.8 Ų | 122.8 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | trans | -61.2 | 115.9 | 173.3 | -173.1 | 175.6 | -174.4 | 160.2 | 1.9 | 109.7 | G858 | G858-R860 PolarHBondContact O-N 3.49Š| ||
| 861 | G | 36.2 | Very low | 37.1 | Very low | 75 Ų | 75 | 124.5 Ų | 124.5 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 140 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L859 | L859-G861 PolarHBondContact O-N 2.71Š|
| 862 | T | 41 | Very low | 36.9 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 136.4 | 167.8 | 42.1 | 0 | 0 | 0 | 0 | 110.4 | G864 | T862-G864 PolarHBondContact O-N 3.06Š|
| 863 | R | 32.1 | Very low | 37.1 | Very low | 249 Ų | 249 | 125.5 Ų | 125.5 | 94% | 0.94 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 122.4 | 177.3 | -175.2 | 176.1 | 179.5 | 174.5 | -1 | 109.2 | ||
| 864 | G | 38.7 | Very low | 36.8 | Very low | 56 Ų | 56 | 125 Ų | 125 | 58% | 0.577 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73 | 164.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T862 | T862-G864 PolarHBondContact O-N 3.06Š|
| 865 | P | 38.7 | Very low | 36.5 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 136.7 | 170.2 | 30.7 | -33.5 | 0 | 0 | 0 | 110.8 | ||
| 866 | P | 32.9 | Very low | 36.4 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 141.4 | 169 | -21.1 | 33.7 | 0 | 0 | 0 | 111.7 | ||
| 867 | G | 37.8 | Very low | 36.2 | Very low | 69 Ų | 69 | 122.2 Ų | 122.2 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 150.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 868 | P | 44.7 | Very low | 36.4 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 155 | 165.4 | 33.1 | -33.9 | 0 | 0 | 0 | 111.2 | ||
| 869 | S | 29.8 | Very low | 36.5 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 157.9 | 177.8 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 870 | G | 36.7 | Very low | 36.8 | Very low | 75 Ų | 75 | 124.3 Ų | 124.3 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 163.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 871 | D | 35.6 | Very low | 36.8 | Very low | 161 Ų | 161 | 117.5 Ų | 117.5 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -116.2 | 163.3 | 176.4 | -91.6 | -48 | 0 | 0 | 0 | 111.6 | ||||
| 872 | P | 32.6 | Very low | 37.3 | Very low | 131 Ų | 131 | 117.4 Ų | 117.4 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | -90.8 | 171.1 | -149.1 | -11.6 | 31.3 | 0 | 0 | 0 | 117.7 | ||||
| 873 | G | 36.6 | Very low | 37.3 | Very low | 78 Ų | 78 | 116.6 Ų | 116.6 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -148.1 | -178.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 874 | S | 41.2 | Very low | 37.4 | Very low | 126 Ų | 126 | 114 Ų | 114 | 88% | 0.881 | 76% | 0.755 | S | S | * | * | trans | -178.7 | 176.4 | 176.2 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 875 | K | 30.1 | Very low | 37.7 | Very low | 131 Ų | 131 | 114.6 Ų | 114.6 | 57% | 0.57 | 76% | 0.762 | S | S | * | * | cis | -176.7 | 106.7 | -41.9 | 177.6 | -116.8 | -178.8 | -169.3 | 0 | 111.7 | Q569 G570 N571 | Q569-K875 WeakPolarHBondContact O-CE 3.42Å; Q569-K875 PolarHBondContact O-NZ 2.88Å; G570-K875 VanDerWaalsContact CA-NZ 3.34Å; G570-K875 PolarHBondContact O-NZ 3.36Å; N571-K875 PolarHBondContact N-O 2.9Å; N571-K875 VanDerWaalsContact N-O 3.11Å | ||
| 876 | G | 34.8 | Very low | 37.7 | Very low | 53 Ų | 53 | 114.1 Ų | 114.1 | 55% | 0.546 | 76% | 0.762 | S | S | . | * | trans | 175.9 | 169 | 174.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | N571 | N571-G876 WeakPolarHBondContact O-CA 3.29Š| ||
| 877 | D | 39.6 | Very low | 37.9 | Very low | 75 Ų | 75 | 116 Ų | 116 | 40% | 0.401 | 76% | 0.764 | S | S | . | * | cis | -166 | 173.1 | -20.5 | -158.5 | 16.5 | 0 | 0 | 0 | 115.4 | G570 N571 A572 | G570-D877 WeakPolarHBondContact CA-OD1 3.32Å; G570-D877 PolarHBondContact N-OD1 2.87Å; N571-D877 VanDerWaalsContact C-CG 3.45Å; N571-D877 WeakPolarHBondContact CA-OD2 3.2Å; N571-D877 VanDerWaalsContact N-CB 3.31Å; N571-D877 PolarHBondContact N-OD1 3.04Å; N571-D877 PolarHBondContact N-OD2 3.47Å; A572-D877 HydrophobicContact CB-CB 4.07Å; A572-D877 WeakPolarHBondContact CB-OD2 3.44Å; A572-D877 PolarHBondContact N-OD2 2.77Å | ||
| 878 | E | 38.6 | Very low | 38 | Very low | 105 Ų | 105 | 116 Ų | 116 | 49% | 0.491 | 76% | 0.764 | S | S | . | * | trans | -91.5 | 171.6 | 166.2 | -75.2 | 171.4 | -141.6 | 0 | 0 | 113.6 | Q569 | Q569-E878 VanDerWaalsContact CA-OE1 3.31Å; Q569-E878 WeakPolarHBondContact CA-OE1 3.37Å; Q569-E878 VanDerWaalsContact CB-OE1 3.26Å; Q569-E878 WeakPolarHBondContact CB-OE1 3.44Å; Q569-E878 VanDerWaalsContact CG-OE1 3.31Å; Q569-E878 WeakPolarHBondContact CG-OE1 3.31Å; Q569-E878 PolarHBondContact NE2-OE2 2.91Å | ||
| 879 | G | 37.9 | Very low | 37.8 | Very low | 73 Ų | 73 | 116.4 Ų | 116.4 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | cis | 151.2 | 154.3 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 880 | R | 40.6 | Very low | 38.1 | Very low | 256 Ų | 256 | 116.9 Ų | 116.9 | 97% | 0.966 | 75% | 0.745 | S | S | * | * | trans | -162.6 | 150.4 | 164.1 | -160.6 | 165.9 | -177.9 | 161.9 | 2.5 | 112.1 | ||||
| 881 | A | 37.2 | Very low | 38.3 | Very low | 100 Ų | 100 | 115.3 Ų | 115.3 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | trans | -119.6 | -179.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 882 | G | 46 | Very low | 38.5 | Very low | 72 Ų | 72 | 112.6 Ų | 112.6 | 74% | 0.742 | 72% | 0.715 | S | S | * | * | trans | -135.2 | -172.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 883 | P | 40.9 | Very low | 38.7 | Very low | 125 Ų | 125 | 114.7 Ų | 114.7 | 81% | 0.812 | 71% | 0.705 | S | S | * | * | trans | -126.2 | -176.9 | 175.8 | 39.5 | -24.8 | 0 | 0 | 0 | 113.4 | ||||
| 884 | Q | 34.1 | Very low | 39.4 | Very low | 194 Ų | 194 | 114 Ų | 114 | 91% | 0.907 | 70% | 0.699 | S | S | * | * | cis | -172.7 | 168.5 | -29.2 | 178.4 | 170.5 | -5 | 0 | 0 | 108.1 | ||||
| 885 | G | 44.4 | Very low | 39.6 | Very low | 69 Ų | 69 | 114.2 Ų | 114.2 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | trans | -158.5 | -174.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 886 | S | 40.5 | Very low | 40 | Very low | 117 Ų | 117 | 114.4 Ų | 114.4 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -169.4 | -178.8 | 175.2 | 66.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 887 | L | 36.8 | Very low | 40.5 | Very low | 171 Ų | 171 | 114.5 Ų | 114.5 | 90% | 0.895 | 71% | 0.713 | S | S | * | * | cis | -158.1 | -172 | 3 | -162.1 | 55.1 | 0 | 0 | 0 | 109.7 | ||||
| 888 | G | 40.4 | Very low | 40.8 | Very low | 69 Ų | 69 | 116.9 Ų | 116.9 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | -173 | -178 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 889 | D | 40.4 | Very low | 40.8 | Very low | 139 Ų | 139 | 120.9 Ų | 120.9 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | -160 | 165 | 179 | -149 | -13.3 | 0 | 0 | 0 | 116.2 | R548 | R548-D889 PolarHBondContact NH2-O 3.34Š| ||
| 890 | K | 35.6 | Very low | 41 | Very low | 135 Ų | 135 | 120.8 Ų | 120.8 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | trans | -144.3 | 159.1 | -163.6 | 175.6 | -178.7 | 170.3 | -170.2 | 0 | 117 | ||||
| 891 | G | 40.8 | Very low | 41.1 | Very low | 42 Ų | 42 | 114.7 Ų | 114.7 | 43% | 0.433 | 74% | 0.743 | S | S | . | * | trans | 128.5 | 163.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 892 | D | 40 | Very low | 41.3 | Very low | 104 Ų | 104 | 116.4 Ų | 116.4 | 56% | 0.556 | 75% | 0.745 | S | S | * | * | cis | -159.1 | -150.4 | -25 | -138.6 | 79 | 0 | 0 | 0 | 114.4 | P551 | P551-D892 VanDerWaalsContact CG-CA 3.48Å; P551-D892 WeakPolarHBondContact CG-O 3.21Å | ||
| 893 | R | 35.8 | Very low | 41.1 | Very low | 175 Ų | 175 | 116 Ų | 116 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | trans | -116.6 | 167.8 | -143 | -177.1 | 177.8 | 177.1 | -171.5 | -0.7 | 118.7 | ||||
| 894 | G | 50.8 | Low | 41.5 | Very low | 64 Ų | 64 | 116.5 Ų | 116.5 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | trans | -118.6 | -174.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 895 | P | 45.7 | Very low | 41.7 | Very low | 129 Ų | 129 | 115.5 Ų | 115.5 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | trans | -113.4 | 171.9 | -161.8 | 41 | -33.1 | 0 | 0 | 0 | 118.4 | ||||
| 896 | P | 40.2 | Very low | 41.7 | Very low | 135 Ų | 135 | 115 Ų | 115 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | trans | -121.9 | -167.8 | -164.9 | 38.9 | -21.2 | 0 | 0 | 0 | 116.5 | ||||
| 897 | G | 43.7 | Very low | 42 | Very low | 56 Ų | 56 | 115.7 Ų | 115.7 | 58% | 0.577 | 74% | 0.74 | S | S | * | * | trans | -130.2 | -166.4 | -173 | 0 | 0 | 0 | 0 | 0 | 118 | H899 | G897-H899 PolarHBondContact O-ND1 2.82Š| ||
| 898 | P | 45.8 | Very low | 42.2 | Very low | 124 Ų | 124 | 114.5 Ų | 114.5 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | trans | -90 | 136 | -176.5 | 35.1 | -32.6 | 0 | 0 | 0 | 112.6 | ||||
| 899 | H | 40.2 | Very low | 42.2 | Very low | 190 Ų | 190 | 114.2 Ų | 114.2 | 88% | 0.88 | 74% | 0.737 | S | S | * | * | 75.9 | 127.1 | 56.1 | -70.9 | 79.9 | 0 | 0 | 0 | 114.3 | G897 | G897-H899 PolarHBondContact O-ND1 2.82Š| |||
| 900 | G | 40.5 | Very low | 42.3 | Very low | 70 Ų | 70 | 113.2 Ų | 113.2 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | -137.6 | -169 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 901 | P | 44.3 | Very low | 42.5 | Very low | 129 Ų | 129 | 116 Ų | 116 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | trans | -81.7 | 156.2 | -170.1 | 32.5 | -35.6 | 0 | 0 | 0 | 114.5 | ||||
| 902 | P | 40.9 | Very low | 42.1 | Very low | 135 Ų | 135 | 116.7 Ų | 116.7 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -85.2 | 160.5 | -172.8 | -7.7 | 27.7 | 0 | 0 | 0 | 114.2 | ||||
| 903 | G | 41.4 | Very low | 41.9 | Very low | 65 Ų | 65 | 117.5 Ų | 117.5 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | trans | -107.1 | 168.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 904 | P | 49.2 | Very low | 41.8 | Very low | 135 Ų | 135 | 114.6 Ų | 114.6 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | trans | -75.6 | 152.1 | 173.2 | 32.3 | -34.4 | 0 | 0 | 0 | 112.2 | ||||
| 905 | I | 38.2 | Very low | 40.9 | Very low | 173 Ų | 173 | 113.2 Ų | 113.2 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | -82.6 | 141 | -172.3 | -63.1 | 158.5 | 0 | 0 | 0 | 110.9 | ||||
| 906 | G | 43.8 | Very low | 40.7 | Very low | 57 Ų | 57 | 110.5 Ų | 110.5 | 59% | 0.588 | 74% | 0.737 | S | S | * | * | trans | -104.9 | 160.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 907 | P | 48.1 | Very low | 40.4 | Very low | 133 Ų | 133 | 108.4 Ų | 108.4 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | trans | -79 | 132.6 | 174.9 | 31.3 | -32.5 | 0 | 0 | 0 | 112.1 | ||||
| 908 | V | 40.9 | Very low | 39.9 | Very low | 145 Ų | 145 | 108.1 Ų | 108.1 | 88% | 0.879 | 71% | 0.713 | S | S | * | * | trans | -50.7 | 148.1 | 173 | 179.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 909 | G | 40.3 | Very low | 39.3 | Very low | 64 Ų | 64 | 111.5 Ų | 111.5 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | trans | -118.5 | 147.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 910 | P | 42.9 | Very low | 39.4 | Very low | 117 Ų | 117 | 107.4 Ų | 107.4 | 76% | 0.76 | 71% | 0.708 | S | S | * | * | trans | -84.1 | 132.5 | 164.1 | 33.7 | -30.1 | 0 | 0 | 0 | 109.9 | ||||
| 911 | Q | 38.8 | Very low | 39 | Very low | 195 Ų | 195 | 107.9 Ų | 107.9 | 91% | 0.911 | 71% | 0.713 | S | S | * | * | 80.6 | 135.4 | 78.6 | -165.3 | 178 | -0.9 | 0 | 0 | 112.6 | |||||
| 912 | G | 33.3 | Very low | 38.9 | Very low | 56 Ų | 56 | 108.5 Ų | 108.5 | 58% | 0.577 | 71% | 0.71 | S | S | * | * | trans | -153.2 | -160.3 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 913 | L | 34.9 | Very low | 38.6 | Very low | 120 Ų | 120 | 110.8 Ų | 110.8 | 63% | 0.628 | 71% | 0.706 | S | S | * | * | trans | 64.1 | 174.8 | -168.1 | -29.5 | 177.3 | 0 | 0 | 0 | 111.5 | E297 | E297-L913 WeakPolarHBondContact OE2-CD2 3.34Š| ||
| 914 | P | 34.4 | Very low | 38.2 | Very low | 114 Ų | 114 | 111.5 Ų | 111.5 | 74% | 0.74 | 71% | 0.713 | S | S | * | * | cis | -107 | -175.8 | -20.3 | 6.9 | 17.6 | 0 | 0 | 0 | 112.9 | E297 | E297-P914 HydrophobicContact CB-CB 3.76Å; E297-P914 VanDerWaalsContact OE1-CA 3.23Å; E297-P914 WeakPolarHBondContact OE1-CA 3.44Å | ||
| 915 | G | 32.1 | Very low | 37.7 | Very low | 35 Ų | 35 | 110 Ų | 110 | 36% | 0.361 | 71% | 0.712 | S | S | . | * | trans | -129 | -174.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | K295 E297 | K295-G915 CarbonylContact O-C 3.54Å; E297-G915 PolarHBondContact OE1-N 2.82Å | ||
| 916 | S | 40.2 | Very low | 37.6 | Very low | 73 Ų | 73 | 113.6 Ų | 113.6 | 51% | 0.51 | 71% | 0.714 | S | S | . | * | trans | -160.9 | -171 | -176 | 53.8 | 0 | 0 | 0 | 0 | 110.2 | E294 K295 | E294-S916 WeakPolarHBondContact OE1-CB 3.35Å; K295-S916 WeakPolarHBondContact CD-O 3.27Å | ||
| 917 | Q | 35.4 | Very low | 37.1 | Very low | 90 Ų | 90 | 113.7 Ų | 113.7 | 42% | 0.421 | 72% | 0.715 | S | S | . | * | -123.2 | 163.7 | -70 | 174.4 | 170.5 | -71.4 | 0 | 0 | 107 | E294 | E294-Q917 HydrophobicContact CG-CB 4.15Å; E294-Q917 VanDerWaalsContact N-OE1 3.12Å; E294-Q917 WeakPolarHBondContact OE1-CB 3.28Å; E294-Q917 PolarHBondContact OE1-OE1 3.31Å | |||
| 918 | G | 31.4 | Very low | 36.9 | Very low | 51 Ų | 51 | 113.4 Ų | 113.4 | 53% | 0.526 | 71% | 0.713 | S | S | . | * | P | Polyproline II helix | trans | -79.8 | 137.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 919 | E | 34.1 | Very low | 36.8 | Very low | 195 Ų | 195 | 112.8 Ų | 112.8 | 91% | 0.911 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 156 | 166.2 | -79 | -150.6 | 106.6 | 0 | 0 | 112.3 | ||
| 920 | P | 41.4 | Very low | 36.8 | Very low | 103 Ų | 103 | 113.1 Ų | 113.1 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 161.2 | -158.2 | -5.7 | 27.2 | 0 | 0 | 0 | 114.6 | ||
| 921 | G | 32 | Very low | 37 | Very low | 80 Ų | 80 | 113 Ų | 113 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 146.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 922 | D | 42.4 | Very low | 37 | Very low | 143 Ų | 143 | 112 Ų | 112 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | trans | -115.4 | 156.4 | -175.9 | -126.4 | -29.1 | 0 | 0 | 0 | 115.1 | ||||
| 923 | K | 36.2 | Very low | 37.1 | Very low | 183 Ų | 183 | 112.6 Ų | 112.6 | 80% | 0.796 | 72% | 0.72 | S | S | * | * | trans | -77.4 | 148.8 | -156.6 | -57.9 | 116 | -172.1 | 150.3 | 0 | 115.2 | ||||
| 924 | G | 32.5 | Very low | 37.4 | Very low | 79 Ų | 79 | 115.6 Ų | 115.6 | 81% | 0.814 | 73% | 0.731 | S | S | * | * | trans | -74.8 | 159.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 925 | A | 38.3 | Very low | 37.4 | Very low | 103 Ų | 103 | 117 Ų | 117 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | trans | -102.8 | 108.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 926 | R | 35.8 | Very low | 37.7 | Very low | 250 Ų | 250 | 118.9 Ų | 118.9 | 94% | 0.943 | 76% | 0.756 | S | S | * | * | trans | -10 | 116.9 | 157.6 | -175 | -177.9 | -171.7 | 173.8 | 3.1 | 116.5 | ||||
| 927 | G | 33 | Very low | 37.6 | Very low | 59 Ų | 59 | 124.7 Ų | 124.7 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -78 | 166.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 928 | P | 45.2 | Very low | 37.5 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 143.9 | 175.7 | 32.3 | -34.1 | 0 | 0 | 0 | 112.5 | ||
| 929 | P | 38.2 | Very low | 37.9 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 155.7 | 174.9 | -17.5 | 32 | 0 | 0 | 0 | 113.7 | ||
| 930 | G | 40.3 | Very low | 38.1 | Very low | 71 Ų | 71 | 128.5 Ų | 128.5 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | -107.7 | 150.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 931 | P | 48 | Very low | 37.5 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | trans | -87.5 | 132 | 160.4 | 33.5 | -28.2 | 0 | 0 | 0 | 110.2 | ||||
| 932 | I | 38.6 | Very low | 37.9 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | 65.6 | 130.8 | 84.7 | -60.3 | 164.3 | 0 | 0 | 0 | 112.3 | |||||
| 933 | G | 34.8 | Very low | 37.5 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | -152.2 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 934 | E | 41.7 | Very low | 37.3 | Very low | 183 Ų | 183 | 131.1 Ų | 131.1 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -134.6 | 126.1 | -176.6 | -62 | -176.5 | 129.2 | 0 | 0 | 107.5 | ||||
| 935 | T | 33.9 | Very low | 38 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | 68 | 125.7 | 88.3 | -49.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 936 | G | 37.7 | Very low | 38 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -144.8 | -171.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 937 | E | 38.3 | Very low | 38.2 | Very low | 196 Ų | 196 | 129.7 Ų | 129.7 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -144.7 | -176.1 | -174.2 | -131.2 | 177.3 | -163.7 | 0 | 0 | 115.2 | ||||
| 938 | K | 33.7 | Very low | 38.9 | Very low | 206 Ų | 206 | 130.1 Ų | 130.1 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | trans | -96.7 | 165 | -155.7 | -61.3 | 165.9 | -176.6 | 166 | 0 | 114.6 | ||||
| 939 | G | 39.2 | Very low | 38.4 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -120.3 | 173.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 940 | V | 38.4 | Very low | 38.2 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -146.9 | 136.4 | -177 | -166.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 941 | Q | 30.4 | Very low | 38.7 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 7.7 | 146.6 | 151 | -143.7 | 166.3 | 15.4 | 0 | 0 | 122.2 | ||||
| 942 | G | 38.6 | Very low | 38.5 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | -136.1 | -178.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 943 | L | 35.9 | Very low | 38.4 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -166.5 | 149.7 | 178 | -101.5 | 167.5 | 0 | 0 | 0 | 115.4 | ||||
| 944 | I | 31.9 | Very low | 38.5 | Very low | 150 Ų | 150 | 132 Ų | 132 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 73.8 | 133.3 | 151.7 | -65.8 | 159.7 | 0 | 0 | 0 | 121.4 | ||||
| 945 | G | 45.6 | Very low | 38.4 | Very low | 68 Ų | 68 | 127.5 Ų | 127.5 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -137.9 | 177.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 946 | K | 39.8 | Very low | 38.4 | Very low | 203 Ų | 203 | 128.5 Ų | 128.5 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -150.9 | 167.4 | -174.6 | -98.8 | 178.7 | -179.7 | 169.3 | 0 | 113.7 | ||||
| 947 | P | 38.2 | Very low | 38.4 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -127.3 | -173.4 | -135.5 | 40.3 | -23.1 | 0 | 0 | 0 | 117.2 | ||||
| 948 | G | 49.3 | Very low | 38.2 | Very low | 69 Ų | 69 | 128 Ų | 128 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -137.3 | -178.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 949 | L | 35.1 | Very low | 38.2 | Very low | 143 Ų | 143 | 125.6 Ų | 125.6 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | -161.2 | 166.6 | -172.3 | -72.3 | 179.9 | 0 | 0 | 0 | 111.2 | ||||
| 950 | R | 33.4 | Very low | 38.1 | Very low | 219 Ų | 219 | 125.3 Ų | 125.3 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | cis | 179.8 | 144.8 | -27.6 | 168.7 | 167.8 | 176.9 | 155 | 3.3 | 111.9 | ||||
| 951 | G | 50.1 | Low | 38.2 | Very low | 54 Ų | 54 | 125.1 Ų | 125.1 | 56% | 0.557 | 76% | 0.759 | S | S | * | * | trans | -97.8 | 177.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 952 | P | 44.7 | Very low | 38.2 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | -165.8 | -173 | 76.9 | 47 | -25.8 | 0 | 0 | 0 | 119.6 | |||||
| 953 | T | 35.5 | Very low | 38.2 | Very low | 138 Ų | 138 | 125 Ų | 125 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | trans | 65.6 | 146.7 | 148.2 | -51.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 954 | G | 38.2 | Very low | 38.4 | Very low | 61 Ų | 61 | 123.1 Ų | 123.1 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | cis | 140.1 | 153.6 | -9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 955 | A | 38.9 | Very low | 38.8 | Very low | 89 Ų | 89 | 121.6 Ų | 121.6 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | 70.1 | 159.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 956 | D | 34.3 | Very low | 38.7 | Very low | 166 Ų | 166 | 121.5 Ų | 121.5 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | cis | -171 | 174.5 | -26.5 | -81.9 | -28.9 | 0 | 0 | 0 | 106.4 | ||||
| 957 | G | 36.5 | Very low | 38.6 | Very low | 66 Ų | 66 | 120.3 Ų | 120.3 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | cis | 174.1 | -177 | -0.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 958 | E | 34.9 | Very low | 38.5 | Very low | 193 Ų | 193 | 121.6 Ų | 121.6 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | trans | 66.4 | 158.6 | 159.7 | -71.2 | 173 | 173.1 | 0 | 0 | 120.8 | ||||
| 959 | Q | 33.6 | Very low | 38.3 | Very low | 156 Ų | 156 | 121 Ų | 121 | 73% | 0.729 | 74% | 0.74 | S | S | * | * | cis | -157.1 | 167.8 | -14.6 | 168.1 | 171.4 | -3.3 | 0 | 0 | 110.6 | D961 | Q959-D961 PolarHBondContact NE2-OD2 3.37Š| ||
| 960 | G | 37.8 | Very low | 38.8 | Very low | 66 Ų | 66 | 120.6 Ų | 120.6 | 68% | 0.68 | 74% | 0.744 | S | S | * | * | trans | -62.4 | -150.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 961 | D | 38.7 | Very low | 38.7 | Very low | 132 Ų | 132 | 118.1 Ų | 118.1 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | cis | -154.3 | -175.9 | 19.7 | -87.2 | -60.5 | 0 | 0 | 0 | 113.1 | Q959 | Q959-D961 PolarHBondContact NE2-OD2 3.37Š| ||
| 962 | Q | 31.6 | Very low | 38.4 | Very low | 199 Ų | 199 | 118.6 Ų | 118.6 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | trans | 87.5 | 147.8 | 154.3 | -157.2 | 170.6 | 7.9 | 0 | 0 | 119.8 | ||||
| 963 | G | 37.7 | Very low | 38.3 | Very low | 53 Ų | 53 | 119.5 Ų | 119.5 | 55% | 0.546 | 74% | 0.743 | S | S | . | * | trans | -170.5 | -146 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 964 | S | 41.1 | Very low | 38.2 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | trans | 68.7 | 173.5 | -175.9 | 86.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 965 | P | 39.5 | Very low | 38.2 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | cis | -124.5 | 176.4 | -10.4 | 30.3 | -10.2 | 0 | 0 | 0 | 113.8 | ||||
| 966 | G | 44.5 | Very low | 37.9 | Very low | 65 Ų | 65 | 121.1 Ų | 121.1 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | trans | -120.1 | -178.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 967 | Q | 38 | Very low | 37.7 | Very low | 179 Ų | 179 | 115.5 Ų | 115.5 | 84% | 0.836 | 69% | 0.688 | S | S | * | * | trans | 177.8 | 164.3 | 171.8 | -103.8 | 162.5 | 112.1 | 0 | 0 | 106.8 | ||||
| 968 | Q | 34.9 | Very low | 37.5 | Very low | 157 Ų | 157 | 114.9 Ų | 114.9 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | cis | -170.6 | 156.9 | -6.5 | 174.5 | 172.8 | 12.8 | 0 | 0 | 105.9 | ||||
| 969 | G | 45 | Very low | 37.4 | Very low | 56 Ų | 56 | 111.6 Ų | 111.6 | 58% | 0.577 | 67% | 0.666 | S | S | * | * | cis | 124.1 | 81.1 | -1.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 970 | T | 45 | Very low | 37.4 | Very low | 136 Ų | 136 | 112.8 Ų | 112.8 | 83% | 0.834 | 67% | 0.672 | S | S | * | * | trans | -162.2 | 155.5 | 174.7 | 35.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 971 | K | 33.1 | Very low | 37.3 | Very low | 166 Ų | 166 | 113 Ų | 113 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | cis | -163.3 | 139.3 | -17.5 | 167.5 | 172.1 | 175.3 | -167.4 | 0 | 105.8 | D973 | K971-D973 WeakPolarHBondContact CE-OD1 3.35Š| ||
| 972 | G | 43.8 | Very low | 37.2 | Very low | 65 Ų | 65 | 112.1 Ų | 112.1 | 67% | 0.67 | 68% | 0.678 | S | S | * | * | 77 | 148.9 | 102.7 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 973 | D | 41.8 | Very low | 37.4 | Very low | 127 Ų | 127 | 107.6 Ų | 107.6 | 68% | 0.679 | 68% | 0.675 | S | S | * | * | cis | -138.6 | 147.6 | 15.8 | -67.7 | -44 | 0 | 0 | 0 | 108.3 | K971 | K971-D973 WeakPolarHBondContact CE-OD1 3.35Š| ||
| 974 | R | 34.2 | Very low | 37.3 | Very low | 200 Ų | 200 | 107.1 Ų | 107.1 | 76% | 0.755 | 67% | 0.67 | S | S | * | * | 64.9 | 126.6 | 63 | -172.1 | -179.3 | -178.1 | 165.9 | 2.9 | 112.7 | E976 | R974-E976 IonicContact CZ-OE1 3.79Å; R974-E976 IonicContact NE-OE1 3.73Å; R974-E976 PolarHBondContact NE-OE1 3.1Å; R974-E976 IonicContact NH2-OE1 2.75Å; R974-E976 PolarHBondContact NH2-OE1 2.99Å | |||
| 975 | G | 36.5 | Very low | 37.1 | Very low | 38 Ų | 38 | 106.9 Ų | 106.9 | 39% | 0.392 | 66% | 0.655 | S | S | . | * | cis | -154.3 | -143.9 | 0.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P403 | P403-G975 CarbonylContact O-C 3.45Š| ||
| 976 | E | 32.7 | Very low | 36.7 | Very low | 84 Ų | 84 | 107.8 Ų | 107.8 | 39% | 0.393 | 65% | 0.649 | S | S | . | * | cis | -167.5 | -172.4 | -5.1 | -136.2 | -177.1 | -116 | 0 | 0 | 113.3 | G402 P403 R974 | G402-E976 PolarHBondContact N-OE2 3.06Å; P403-E976 VanDerWaalsContact CD-CD 3.44Å; P403-E976 WeakPolarHBondContact CD-OE1 3.46Å; P403-E976 PolarHBondContact O-N 3.49Å; P403-E976 VanDerWaalsContact O-N 3.11Å; R974-E976 IonicContact CZ-OE1 3.79Å; R974-E976 IonicContact NE-OE1 3.73Å; R974-E976 PolarHBondContact NE-OE1 3.1Å; R974-E976 IonicContact NH2-OE1 2.75Å; R974-E976 PolarHBondContact NH2-OE1 2.99Å | ||
| 977 | A | 31.8 | Very low | 36.6 | Very low | 48 Ų | 48 | 107.7 Ų | 107.7 | 40% | 0.397 | 65% | 0.648 | S | S | . | * | trans | -53.1 | 178.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | R401 | R401-A977 WeakPolarHBondContact CD-O 3.19Å; R401-A977 VanDerWaalsContact CG-O 3.25Å; R401-A977 WeakPolarHBondContact CG-O 3.47Å; R401-A977 PolarHBondContact NE-O 2.91Å | ||
| 978 | G | 31 | Very low | 36.6 | Very low | 53 Ų | 53 | 104.1 Ų | 104.1 | 55% | 0.546 | 65% | 0.65 | S | S | . | * | cis | -169.9 | -173.3 | 5.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 979 | E | 32.2 | Very low | 36.6 | Very low | 125 Ų | 125 | 101.8 Ų | 101.8 | 58% | 0.584 | 66% | 0.657 | S | S | * | * | cis | -160.6 | 172.4 | 6 | -138.6 | 179.7 | 165.1 | 0 | 0 | 113.8 | G399 L400 | G399-E979 VanDerWaalsContact C-OE2 3.31Å; G399-E979 WeakPolarHBondContact CA-OE2 3.27Å; L400-E979 PolarHBondContact N-OE2 3.38Å | ||
| 980 | Q | 33.7 | Very low | 36.4 | Very low | 180 Ų | 180 | 102.9 Ų | 102.9 | 84% | 0.841 | 67% | 0.669 | S | S | * | * | trans | -72.8 | 165.8 | 170.8 | 172.9 | -177.7 | -66.9 | 0 | 0 | 111.3 | ||||
| 981 | G | 36.2 | Very low | 36.1 | Very low | 70 Ų | 70 | 102.3 Ų | 102.3 | 72% | 0.722 | 67% | 0.67 | S | S | * | * | cis | -167.5 | -142.4 | 5.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 982 | S | 36.4 | Very low | 36.3 | Very low | 114 Ų | 114 | 100.8 Ų | 100.8 | 80% | 0.797 | 68% | 0.677 | S | S | * | * | cis | -163 | -164.6 | -3.1 | 60.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 983 | A | 36.1 | Very low | 36.3 | Very low | 105 Ų | 105 | 101.1 Ų | 101.1 | 87% | 0.868 | 68% | 0.68 | S | S | * | * | trans | -141.4 | 167.2 | -163.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 984 | G | 36.2 | Very low | 36.3 | Very low | 42 Ų | 42 | 101.7 Ų | 101.7 | 43% | 0.433 | 69% | 0.691 | S | S | . | * | trans | 156.7 | 164.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 985 | Q | 35.8 | Very low | 36.2 | Very low | 116 Ų | 116 | 101.3 Ų | 101.3 | 54% | 0.542 | 70% | 0.698 | S | S | . | * | cis | -170 | 145 | -19.9 | -131.5 | 178.2 | 4.4 | 0 | 0 | 111.4 | ||||
| 986 | Q | 33 | Very low | 36.4 | Very low | 137 Ų | 137 | 102.4 Ų | 102.4 | 64% | 0.64 | 71% | 0.709 | S | S | * | * | trans | 53.1 | 151.9 | 140.1 | -161.6 | 167.3 | -9 | 0 | 0 | 122 | N1381 | Q986-N1381 PolarHBondContact NE2-ND2 2.96Š| ||
| 987 | G | 41.9 | Very low | 36.8 | Very low | 63 Ų | 63 | 106.1 Ų | 106.1 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | cis | 152.7 | 147.9 | -11 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 988 | A | 38.4 | Very low | 36.9 | Very low | 105 Ų | 105 | 110.6 Ų | 110.6 | 87% | 0.868 | 75% | 0.75 | S | S | * | * | trans | -168.2 | 165.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 989 | A | 33.3 | Very low | 37.3 | Very low | 107 Ų | 107 | 110.4 Ų | 110.4 | 88% | 0.884 | 75% | 0.748 | S | S | * | * | cis | -166.2 | -172 | -20.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 990 | G | 40.7 | Very low | 37.5 | Very low | 80 Ų | 80 | 107.9 Ų | 107.9 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -178.8 | -176.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 991 | S | 39.5 | Very low | 37.9 | Very low | 123 Ų | 123 | 103.3 Ų | 103.3 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | trans | -147.6 | 163.2 | 178.5 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 992 | P | 36.9 | Very low | 37.9 | Very low | 135 Ų | 135 | 102.1 Ų | 102.1 | 88% | 0.877 | 71% | 0.71 | S | S | * | * | trans | -110.3 | -175.8 | -153.2 | 41.9 | -36.4 | 0 | 0 | 0 | 116.8 | ||||
| 993 | G | 44.5 | Very low | 38 | Very low | 71 Ų | 71 | 105.5 Ų | 105.5 | 73% | 0.732 | 71% | 0.713 | S | S | * | * | trans | -156.9 | 177.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 994 | P | 41.5 | Very low | 38.3 | Very low | 140 Ų | 140 | 108 Ų | 108 | 91% | 0.909 | 71% | 0.71 | S | S | * | * | trans | -120.9 | -173.6 | -168.4 | 41.6 | -28.6 | 0 | 0 | 0 | 116.3 | ||||
| 995 | Q | 32.9 | Very low | 38.2 | Very low | 192 Ų | 192 | 109.4 Ų | 109.4 | 90% | 0.897 | 72% | 0.724 | S | S | * | * | trans | -140.6 | 155.3 | -174.5 | -177.8 | -169.8 | -82.3 | 0 | 0 | 108.6 | ||||
| 996 | G | 40.5 | Very low | 38.6 | Very low | 60 Ų | 60 | 112.4 Ų | 112.4 | 62% | 0.619 | 74% | 0.742 | S | S | * | * | cis | 128.8 | 139.1 | 4.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 997 | M | 40 | Very low | 38.8 | Very low | 162 Ų | 162 | 110.9 Ų | 110.9 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | trans | -127.5 | 165.8 | -159.7 | -71.1 | 173.9 | 72.4 | 0 | 0 | 116.8 | ||||
| 998 | V | 34.2 | Very low | 38.5 | Very low | 143 Ų | 143 | 111.7 Ų | 111.7 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -114 | 157.8 | 175.3 | 176.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 999 | G | 39.3 | Very low | 38.4 | Very low | 48 Ų | 48 | 113.9 Ų | 113.9 | 50% | 0.495 | 76% | 0.763 | S | S | . | * | cis | 139.7 | 150.8 | -0.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1000 | E | 37.5 | Very low | 38.6 | Very low | 73 Ų | 73 | 113.6 Ų | 113.6 | 34% | 0.341 | 76% | 0.761 | S | S | . | * | trans | -118 | 115.9 | -157.4 | -88.1 | -120.9 | -11.2 | 0 | 0 | 112.4 | Q12 L13 N14 | Q12-E1000 HydrophobicContact CB-CB 4.22Å; Q12-E1000 HydrophobicContact CB-CG 3.73Å; Q12-E1000 HydrophobicContact CG-CG 4.48Å; Q12-E1000 PolarHBondContact NE2-OE2 2.88Å; L13-E1000 WeakPolarHBondContact CA-OE1 3.46Å; L13-E1000 PolarHBondContact N-OE1 2.92Å; N14-E1000 PolarHBondContact N-OE1 3.3Å | ||
| 1001 | P | 40.6 | Very low | 38.5 | Very low | 84 Ų | 84 | 113.4 Ų | 113.4 | 55% | 0.545 | 76% | 0.759 | S | S | . | * | trans | -130.2 | 119.7 | -174 | 37.3 | -18.2 | 0 | 0 | 0 | 119.3 | D11 Q12 | D11-P1001 VanDerWaalsContact O-CD 3.24Å; D11-P1001 WeakPolarHBondContact O-CD 3.29Å; Q12-P1001 CarbonylContact O-C 3.54Å | ||
| 1002 | G | 36.7 | Very low | 38.4 | Very low | 44 Ų | 44 | 116.1 Ų | 116.1 | 45% | 0.454 | 76% | 0.762 | S | S | . | * | trans | -160.1 | -125.1 | -165.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | L13 | L13-G1002 VanDerWaalsContact CD1-N 3.3Š| ||
| 1003 | E | 39.4 | Very low | 38.3 | Very low | 186 Ų | 186 | 120 Ų | 120 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -72.7 | 162.2 | -146.6 | -80.3 | -152.1 | 137.1 | 0 | 0 | 121.3 | ||||
| 1004 | I | 41.8 | Very low | 38.2 | Very low | 158 Ų | 158 | 119.8 Ų | 119.8 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | -137.9 | 144.4 | -145.9 | -66.2 | 163.9 | 0 | 0 | 0 | 112.8 | ||||
| 1005 | G | 34.6 | Very low | 38 | Very low | 70 Ų | 70 | 121.7 Ų | 121.7 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | -92.6 | 176.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1006 | I | 43.7 | Very low | 38.2 | Very low | 180 Ų | 180 | 121.2 Ų | 121.2 | 92% | 0.923 | 76% | 0.761 | S | S | * | * | trans | -122.6 | 153 | -178.3 | 57.2 | 173.4 | 0 | 0 | 0 | 112.8 | ||||
| 1007 | A | 36 | Very low | 38.1 | Very low | 104 Ų | 104 | 121.8 Ų | 121.8 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -125.1 | 163.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1008 | G | 37.1 | Very low | 38.2 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -87.1 | -174.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1009 | V | 36.1 | Very low | 38.1 | Very low | 152 Ų | 152 | 124.6 Ų | 124.6 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | -135.1 | 149.1 | -173.4 | -174 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1010 | A | 37.6 | Very low | 38 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -106.2 | 173.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1011 | G | 37.3 | Very low | 38.2 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | -100.6 | -161.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1012 | I | 38.2 | Very low | 37.9 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 92% | 0.923 | 80% | 0.804 | S | S | * | * | trans | -115.6 | 150 | -166 | 57.3 | 171.5 | 0 | 0 | 0 | 115.3 | ||||
| 1013 | K | 35.6 | Very low | 37.8 | Very low | 217 Ų | 217 | 129.2 Ų | 129.2 | 94% | 0.943 | 82% | 0.819 | S | S | * | * | trans | -163.2 | 146.5 | -176.1 | 179.6 | 177 | 179.4 | 177.2 | 0 | 108.5 | ||||
| 1014 | G | 41.2 | Very low | 37.8 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | cis | 176.7 | 178.9 | -3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1015 | I | 38.4 | Very low | 37.4 | Very low | 180 Ų | 180 | 123.4 Ų | 123.4 | 92% | 0.923 | 82% | 0.817 | S | S | * | * | trans | -130.2 | 158.1 | 174.3 | 63.2 | 170 | 0 | 0 | 0 | 114 | ||||
| 1016 | E | 36 | Very low | 37.6 | Very low | 182 Ų | 182 | 123.9 Ų | 123.9 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -108 | 155.6 | -155.2 | -168 | -178.4 | -174.9 | 0 | 0 | 113.5 | ||||
| 1017 | G | 39.8 | Very low | 37.4 | Very low | 71 Ų | 71 | 121.3 Ų | 121.3 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | -89.7 | -170.4 | -172 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1018 | K | 41.2 | Very low | 37 | Very low | 213 Ų | 213 | 121 Ų | 121 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | trans | -126.8 | 143.5 | 171 | -75.9 | -174.5 | 177 | 179.1 | 0 | 111.1 | ||||
| 1019 | V | 32.8 | Very low | 37 | Very low | 151 Ų | 151 | 118.6 Ų | 118.6 | 92% | 0.915 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 145.2 | -173.9 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1020 | G | 36.7 | Very low | 36.8 | Very low | 59 Ų | 59 | 115.8 Ų | 115.8 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 168.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1021 | P | 41.9 | Very low | 36.5 | Very low | 125 Ų | 125 | 116.8 Ų | 116.8 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 159.4 | 177.7 | 33.5 | -35.3 | 0 | 0 | 0 | 113.2 | ||
| 1022 | P | 34.6 | Very low | 36.9 | Very low | 86 Ų | 86 | 114.4 Ų | 114.4 | 56% | 0.558 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 158.4 | -177.3 | -19 | 33.4 | 0 | 0 | 0 | 114.7 | ||
| 1023 | G | 34.5 | Very low | 36.8 | Very low | 76 Ų | 76 | 111.3 Ų | 111.3 | 78% | 0.784 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 146.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1024 | A | 39.1 | Very low | 36.8 | Very low | 99 Ų | 99 | 106.8 Ų | 106.8 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 137.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1025 | P | 33.3 | Very low | 36.8 | Very low | 124 Ų | 124 | 107.3 Ų | 107.3 | 81% | 0.805 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 147 | 177.5 | -24.4 | 34.9 | 0 | 0 | 0 | 114.2 | ||
| 1026 | G | 39.4 | Very low | 36.7 | Very low | 80 Ų | 80 | 110.3 Ų | 110.3 | 83% | 0.825 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 132.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1027 | P | 38.5 | Very low | 36.4 | Very low | 126 Ų | 126 | 107.5 Ų | 107.5 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | -108.3 | 136.3 | 177.9 | 36.2 | -28.6 | 0 | 0 | 0 | 115.1 | ||||
| 1028 | A | 27.7 | Very low | 36.5 | Very low | 97 Ų | 97 | 107.6 Ų | 107.6 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | trans | -10.6 | 159.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1029 | G | 37.6 | Very low | 36.4 | Very low | 29 Ų | 29 | 103.8 Ų | 103.8 | 30% | 0.299 | 73% | 0.726 | S | S | . | * | trans | -99.8 | 159.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G675 P677 | G675-G1029 CarbonylContact O-C 3.39Å; G675-G1029 WeakPolarHBondContact O-CA 3.46Å; P677-G1029 WeakPolarHBondContact CG-O 3.31Å | ||
| 1030 | V | 32.3 | Very low | 36.2 | Very low | 94 Ų | 94 | 105.7 Ų | 105.7 | 57% | 0.57 | 72% | 0.717 | S | S | * | * | trans | -150 | 117.8 | -171.3 | -84 | 0 | 0 | 0 | 0 | 113.1 | A674 G675 Y676 | A674-V1030 HydrophobicContact CB-CG2 4.17Å; G675-V1030 PolarHBondContact O-N 3.01Å; Y676-V1030 WeakPolarHBondContact CD1-O 3.33Å; Y676-V1030 WeakPolarHBondContact CE1-O 3.26Å | ||
| 1031 | Q | 30.6 | Very low | 36.1 | Very low | 122 Ų | 122 | 105.7 Ų | 105.7 | 57% | 0.57 | 72% | 0.716 | S | S | * | * | trans | -68.9 | 166.8 | -148 | -149.7 | 178.5 | -59 | 0 | 0 | 120.5 | P677 | P677-Q1031 HydrophobicContact CG-CB 4.22Š| ||
| 1032 | G | 46 | Very low | 36.2 | Very low | 25 Ų | 25 | 108.6 Ų | 108.6 | 26% | 0.258 | 72% | 0.719 | S | S | . | * | trans | -119.8 | 169.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1033 | S | 35.6 | Very low | 36 | Very low | 115 Ų | 115 | 109.4 Ų | 109.4 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -175.7 | -176 | -178.7 | 59.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1034 | P | 35.8 | Very low | 36.3 | Very low | 122 Ų | 122 | 108.6 Ų | 108.6 | 79% | 0.792 | 72% | 0.716 | S | S | * | * | -127.6 | 168.1 | -65.9 | 37.9 | -23.1 | 0 | 0 | 0 | 113.6 | |||||
| 1035 | G | 40.9 | Very low | 36.2 | Very low | 78 Ų | 78 | 111.6 Ų | 111.6 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | -93.3 | 179.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1036 | R | 36.7 | Very low | 36.1 | Very low | 242 Ų | 242 | 115.3 Ų | 115.3 | 91% | 0.913 | 72% | 0.72 | S | S | * | * | trans | -151.7 | 118.5 | 179.8 | -134.2 | 179.2 | -176.4 | -162.3 | 0.1 | 115.4 | ||||
| 1037 | S | 29.8 | Very low | 36.1 | Very low | 123 Ų | 123 | 114.6 Ų | 114.6 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | trans | 51.7 | 136.1 | 146.7 | -52.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1038 | G | 42.4 | Very low | 35.8 | Very low | 74 Ų | 74 | 114.2 Ų | 114.2 | 76% | 0.763 | 71% | 0.708 | S | S | * | * | trans | -151 | 154.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1039 | P | 38.9 | Very low | 36.2 | Very low | 133 Ų | 133 | 115.5 Ų | 115.5 | 86% | 0.864 | 70% | 0.7 | S | S | * | * | trans | -125.4 | 177.4 | 167.8 | 40.2 | -28.6 | 0 | 0 | 0 | 112.2 | ||||
| 1040 | R | 28.1 | Very low | 36.3 | Very low | 191 Ų | 191 | 117.6 Ų | 117.6 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | cis | -165.4 | 143.2 | -36.2 | -172.1 | -179.2 | -159.2 | -177 | 5.9 | 104.9 | V458 | V458-R1040 PolarHBondContact O-NH2 3.1Š| ||
| 1041 | G | 34 | Very low | 36.4 | Very low | 58 Ų | 58 | 118.2 Ų | 118.2 | 60% | 0.598 | 74% | 0.737 | S | S | * | * | trans | -126.6 | -172.5 | -161.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1042 | E | 44.3 | Very low | 36.5 | Very low | 186 Ų | 186 | 122.2 Ų | 122.2 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | trans | 69.8 | 157 | 176.1 | -82.2 | -163.2 | 161.7 | 0 | 0 | 117.6 | ||||
| 1043 | P | 31.4 | Very low | 36.3 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | cis | -135.1 | -177.9 | 26.7 | 42.3 | -23.8 | 0 | 0 | 0 | 117.9 | ||||
| 1044 | G | 40.7 | Very low | 36.7 | Very low | 60 Ų | 60 | 124.3 Ų | 124.3 | 62% | 0.619 | 77% | 0.774 | S | S | * | * | trans | -126.7 | -148.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1045 | I | 37 | Very low | 36.8 | Very low | 162 Ų | 162 | 123.7 Ų | 123.7 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | 82.8 | 148.1 | -169 | 92.2 | 180 | 0 | 0 | 0 | 114.9 | ||||
| 1046 | K | 29.6 | Very low | 36.5 | Very low | 202 Ų | 202 | 123.3 Ų | 123.3 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | cis | -154.9 | 171.9 | 9.3 | -139.8 | 169.1 | -169.5 | 177.3 | 0 | 110 | ||||
| 1047 | G | 39.6 | Very low | 36.7 | Very low | 65 Ų | 65 | 116.1 Ų | 116.1 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | trans | -138.9 | 168.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1048 | V | 33.9 | Very low | 37.1 | Very low | 117 Ų | 117 | 115.2 Ų | 115.2 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | trans | -170.8 | 159.5 | -176.8 | 88.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1049 | I | 35.3 | Very low | 36.9 | Very low | 124 Ų | 124 | 115.1 Ų | 115.1 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | cis | -120.9 | -82.5 | -4.3 | -33.3 | 175 | 0 | 0 | 0 | 113 | R497 | R497-I1049 VanDerWaalsContact CD-O 3.25Å; R497-I1049 WeakPolarHBondContact CD-O 3.4Å; R497-I1049 PolarHBondContact NH1-O 3.03Å | ||
| 1050 | G | 39.6 | Very low | 37.2 | Very low | 73 Ų | 73 | 115 Ų | 115 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | trans | 126.8 | 153.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1051 | A | 35.1 | Very low | 37.7 | Very low | 108 Ų | 108 | 113 Ų | 113 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | trans | -156.5 | 169.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1052 | E | 31.9 | Very low | 37.8 | Very low | 205 Ų | 205 | 113 Ų | 113 | 96% | 0.958 | 74% | 0.74 | S | S | * | * | trans | -74.4 | 175.8 | -167.2 | -68.7 | 161.2 | 101.2 | 0 | 0 | 116.9 | ||||
| 1053 | G | 41.6 | Very low | 37.4 | Very low | 70 Ų | 70 | 113 Ų | 113 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | -135.9 | 172 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1054 | P | 43.6 | Very low | 37.5 | Very low | 114 Ų | 114 | 113.1 Ų | 113.1 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | trans | -105.5 | 171.4 | -163.7 | 7.2 | 16.2 | 0 | 0 | 0 | 115.6 | ||||
| 1055 | P | 37.4 | Very low | 37.2 | Very low | 109 Ų | 109 | 114 Ų | 114 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | trans | -79.3 | 170.2 | -168.9 | -15.8 | 32.9 | 0 | 0 | 0 | 117.1 | ||||
| 1056 | G | 35.6 | Very low | 37.3 | Very low | 70 Ų | 70 | 110.9 Ų | 110.9 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -94.8 | 179.4 | 180 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1057 | F | 41.4 | Very low | 37.5 | Very low | 92 Ų | 92 | 107.5 Ų | 107.5 | 40% | 0.404 | 76% | 0.761 | S | S | . | * | trans | -128.3 | 155.8 | -169.5 | -73.4 | -70 | 0 | 0 | 0 | 114.1 | Q485 M488 | Q485-F1057 VanDerWaalsContact CD-CD1 3.47Å; Q485-F1057 HydrophobicContact CG-CD1 4.16Å; Q485-F1057 HydrophobicContact CG-CE1 4.28Å; Q485-F1057 VanDerWaalsContact NE2-CE1 3.26Å; Q485-F1057 VanDerWaalsContact OE1-CE1 3.27Å; M488-F1057 HydrophobicContact CB-CD2 3.58Å; M488-F1057 HydrophobicContact CB-CE2 3.93Å; M488-F1057 HydrophobicContact CE-CD2 4.13Å; M488-F1057 HydrophobicContact CE-CE2 3.86Å; M488-F1057 HydrophobicContact SD-CE2 4.03Å | ||
| 1058 | P | 38.5 | Very low | 37.2 | Very low | 104 Ų | 104 | 106.4 Ų | 106.4 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 163 | -169.4 | 33.1 | -37.3 | 0 | 0 | 0 | 115.1 | ||
| 1059 | G | 37.2 | Very low | 37.3 | Very low | 71 Ų | 71 | 109.6 Ų | 109.6 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 158.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1060 | P | 44.9 | Very low | 37.1 | Very low | 132 Ų | 132 | 110.6 Ų | 110.6 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 169.9 | -174.9 | 37.1 | -36.6 | 0 | 0 | 0 | 115.6 | ||
| 1061 | V | 40.1 | Very low | 37 | Very low | 149 Ų | 149 | 110 Ų | 110 | 90% | 0.903 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 164.2 | -174.1 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1062 | G | 34.6 | Very low | 37.2 | Very low | 58 Ų | 58 | 112.2 Ų | 112.2 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | trans | -134.9 | -165 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1063 | L | 36.8 | Very low | 37.4 | Very low | 186 Ų | 186 | 107.2 Ų | 107.2 | 97% | 0.974 | 73% | 0.732 | S | S | * | * | trans | 79.4 | 149.1 | -169.4 | -51 | 174.5 | 0 | 0 | 0 | 114 | ||||
| 1064 | A | 33.9 | Very low | 37 | Very low | 104 Ų | 104 | 107.2 Ų | 107.2 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | cis | -141.5 | -176.4 | 6.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1065 | G | 34.5 | Very low | 37.1 | Very low | 78 Ų | 78 | 108.6 Ų | 108.6 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -171.1 | 174.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1066 | A | 38.9 | Very low | 37.2 | Very low | 98 Ų | 98 | 109 Ų | 109 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -177.6 | -179.7 | 174 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1067 | P | 32.7 | Very low | 37.3 | Very low | 131 Ų | 131 | 107.6 Ų | 107.6 | 85% | 0.851 | 73% | 0.725 | S | S | * | * | -121 | -176 | -53.4 | 36.9 | -21.6 | 0 | 0 | 0 | 112.5 | |||||
| 1068 | G | 33.3 | Very low | 37.5 | Very low | 42 Ų | 42 | 108.6 Ų | 108.6 | 43% | 0.433 | 74% | 0.741 | S | S | . | * | trans | -158.4 | 178.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1069 | K | 36.4 | Very low | 37.6 | Very low | 183 Ų | 183 | 109.8 Ų | 109.8 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | -179.1 | 151.1 | 165.5 | -111.3 | 165 | -173.3 | 178 | 0 | 119.3 | R772 | R772-K1069 PolarHBondContact NH1-O 3.4Š| ||
| 1070 | M | 31.3 | Very low | 37.5 | Very low | 146 Ų | 146 | 109.9 Ų | 109.9 | 72% | 0.719 | 75% | 0.75 | S | S | * | * | trans | 73 | 142.7 | 150.7 | -174.4 | 167.7 | 64.2 | 0 | 0 | 119.6 | R772 | R772-M1070 WeakPolarHBondContact CD-O 3.25Å; R772-M1070 PolarHBondContact NH1-O 3.48Å | ||
| 1071 | G | 37.3 | Very low | 37.3 | Very low | 60 Ų | 60 | 112 Ų | 112 | 62% | 0.619 | 75% | 0.754 | S | S | * | * | trans | -126.5 | -161.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1072 | I | 38.5 | Very low | 37.1 | Very low | 155 Ų | 155 | 111.3 Ų | 111.3 | 80% | 0.795 | 75% | 0.752 | S | S | * | * | trans | -130.1 | 147.3 | -168.8 | -59.2 | -179.9 | 0 | 0 | 0 | 111.6 | ||||
| 1073 | P | 37.2 | Very low | 37.3 | Very low | 99 Ų | 99 | 112 Ų | 112 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | trans | -80.4 | 172.9 | -175.3 | -13 | 31.4 | 0 | 0 | 0 | 116.2 | ||||
| 1074 | G | 33.9 | Very low | 37.5 | Very low | 70 Ų | 70 | 111.2 Ų | 111.2 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -81 | 178.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1075 | V | 43.9 | Very low | 37.7 | Very low | 144 Ų | 144 | 114 Ų | 114 | 87% | 0.873 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 127.5 | -164.1 | -171.9 | 0 | 0 | 0 | 0 | 113 | ||
| 1076 | P | 39.4 | Very low | 38 | Very low | 118 Ų | 118 | 112.7 Ų | 112.7 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 131.5 | 167.8 | -18.2 | 32.5 | 0 | 0 | 0 | 112.2 | ||
| 1077 | G | 37.8 | Very low | 38.2 | Very low | 39 Ų | 39 | 112.6 Ų | 112.6 | 40% | 0.402 | 72% | 0.717 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 158.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K180 | K180-G1077 PolarHBondContact NZ-O 3.41Š|
| 1078 | P | 47.3 | Very low | 38.4 | Very low | 113 Ų | 113 | 114.4 Ų | 114.4 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 148.3 | -167.2 | 25.2 | -35.6 | 0 | 0 | 0 | 114.7 | K180 | K180-P1078 PolarHBondContact NZ-O 2.91Š|
| 1079 | P | 40.2 | Very low | 38.8 | Very low | 129 Ų | 129 | 115.3 Ų | 115.3 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 165.7 | 154 | -11.5 | 30.3 | 0 | 0 | 0 | 112.6 | ||
| 1080 | G | 35.5 | Very low | 39.4 | Very low | 74 Ų | 74 | 116.6 Ų | 116.6 | 76% | 0.763 | 73% | 0.729 | S | S | * | * | trans | -94.8 | -179.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1081 | L | 39.7 | Very low | 39.7 | Very low | 177 Ų | 177 | 116.3 Ų | 116.3 | 93% | 0.927 | 74% | 0.738 | S | S | * | * | trans | -117.5 | 130.6 | -168.9 | -71.7 | 165 | 0 | 0 | 0 | 114.3 | ||||
| 1082 | P | 35.8 | Very low | 39.8 | Very low | 134 Ų | 134 | 116.2 Ų | 116.2 | 87% | 0.87 | 74% | 0.737 | S | S | * | * | trans | -127.5 | 172.7 | 152.2 | 5 | 19 | 0 | 0 | 0 | 114.2 | ||||
| 1083 | G | 39.4 | Very low | 39.9 | Very low | 72 Ų | 72 | 113 Ų | 113 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | trans | -150.3 | -159.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1084 | L | 40.4 | Very low | 39.8 | Very low | 169 Ų | 169 | 118.6 Ų | 118.6 | 89% | 0.885 | 74% | 0.742 | S | S | * | * | cis | -173 | 161.8 | 0.6 | -127.9 | 177 | 0 | 0 | 0 | 112.7 | ||||
| 1085 | K | 38 | Very low | 40 | Very low | 164 Ų | 164 | 118.3 Ų | 118.3 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | 82.2 | 121.1 | 146.3 | -150.3 | 178.6 | -176.4 | 175.2 | 0 | 123.7 | A1150 | K1085-A1150 HydrophobicContact CB-CB 4.12Å; K1085-A1150 HydrophobicContact CD-CB 4.49Å; K1085-A1150 HydrophobicContact CG-CB 3.34Å | ||
| 1086 | G | 41.5 | Very low | 39.6 | Very low | 50 Ų | 50 | 119.2 Ų | 119.2 | 52% | 0.515 | 73% | 0.734 | S | S | . | * | trans | 174 | 148.7 | 156 | 0 | 0 | 0 | 0 | 0 | 118.1 | G1149 A1150 P1151 | G1086-G1149 CarbonylContact C-O 3.42Å; G1086-G1149 VanDerWaalsContact C-O 3.3Å; G1086-G1149 VanDerWaalsContact CA-O 3.29Å; G1086-G1149 WeakPolarHBondContact CA-O 3.46Å; G1086-A1150 VanDerWaalsContact N-CB 3.33Å; G1086-P1151 WeakPolarHBondContact O-CD 3.44Å | ||
| 1087 | E | 42.6 | Very low | 39.5 | Very low | 96 Ų | 96 | 121.9 Ų | 121.9 | 45% | 0.449 | 74% | 0.736 | S | S | . | * | trans | -150.6 | 148.6 | -167.1 | -166.5 | 167.7 | -141.8 | 0 | 0 | 120 | V1148 G1149 A1150 P1151 | E1087-V1148 HydrophobicContact CB-CG1 4.39Å; E1087-V1148 HydrophobicContact CG-CG1 4.48Å; E1087-G1149 VanDerWaalsContact CB-C 3.43Å; E1087-G1149 VanDerWaalsContact CB-O 3.32Å; E1087-G1149 WeakPolarHBondContact CB-O 2.99Å; E1087-G1149 PolarHBondContact N-O 3.37Å; E1087-G1149 WeakPolarHBondContact OE2-CA 3.37Å; E1087-A1150 PolarHBondContact OE2-N 2.82Å; E1087-P1151 HydrophobicContact CG-CB 4.4Å; E1087-P1151 HydrophobicContact CG-CG 4.47Å; E1087-P1151 WeakPolarHBondContact OE1-CA 3.38Å | ||
| 1088 | Q | 38.1 | Very low | 39.5 | Very low | 168 Ų | 168 | 123.1 Ų | 123.1 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 174.4 | 165.6 | 143.8 | -167.9 | 151.8 | 123.1 | 0 | 0 | 110.3 | ||||
| 1089 | G | 40.8 | Very low | 39.1 | Very low | 62 Ų | 62 | 122.7 Ų | 122.7 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | cis | -176.3 | 180 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1090 | K | 49.7 | Very low | 39.1 | Very low | 210 Ų | 210 | 126.1 Ų | 126.1 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | trans | -157.1 | 160 | -174.5 | -60.5 | -177.4 | -176.1 | 174.6 | 0 | 116.9 | ||||
| 1091 | P | 37.2 | Very low | 39.4 | Very low | 140 Ų | 140 | 125.6 Ų | 125.6 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -141.6 | 164.2 | 141.7 | 24.7 | -2.7 | 0 | 0 | 0 | 117 | ||||
| 1092 | G | 38.9 | Very low | 39.6 | Very low | 57 Ų | 57 | 123.4 Ų | 123.4 | 59% | 0.588 | 75% | 0.748 | S | S | * | * | trans | 173.4 | -178.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P751 | P751-G1092 WeakPolarHBondContact CB-O 3.39Š| ||
| 1093 | A | 40.3 | Very low | 39.7 | Very low | 89 Ų | 89 | 123.4 Ų | 123.4 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | cis | -168 | 177.3 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1094 | R | 36.4 | Very low | 39.9 | Very low | 216 Ų | 216 | 122.8 Ų | 122.8 | 82% | 0.815 | 74% | 0.74 | S | S | * | * | trans | -157.2 | 161.4 | 175.3 | -179.1 | -178.8 | 176.7 | -168.4 | 0.5 | 110.4 | E1096 | R1094-E1096 IonicContact CZ-OE2 2.68Å; R1094-E1096 IonicContact NE-OE2 3.63Å; R1094-E1096 IonicContact NH2-OE2 2.72Å; R1094-E1096 PolarHBondContact NH2-OE2 3.25Å | ||
| 1095 | G | 37.6 | Very low | 40.2 | Very low | 64 Ų | 64 | 120.8 Ų | 120.8 | 66% | 0.66 | 74% | 0.737 | S | S | * | * | cis | 146.4 | 162.2 | -10.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1096 | E | 35.8 | Very low | 40.2 | Very low | 163 Ų | 163 | 118.4 Ų | 118.4 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 69.2 | 119.7 | 172.7 | -67.7 | -168.3 | 114.8 | 0 | 0 | 123.7 | R1094 | R1094-E1096 IonicContact CZ-OE2 2.68Å; R1094-E1096 IonicContact NE-OE2 3.63Å; R1094-E1096 IonicContact NH2-OE2 2.72Å; R1094-E1096 PolarHBondContact NH2-OE2 3.25Å | ||
| 1097 | Q | 37.7 | Very low | 40.3 | Very low | 174 Ų | 174 | 120 Ų | 120 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | 160.1 | 159.8 | 119.6 | -165.5 | 158.4 | -6 | 0 | 0 | 111.6 | |||||
| 1098 | G | 37.7 | Very low | 40.4 | Very low | 64 Ų | 64 | 120.8 Ų | 120.8 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | trans | -127 | -161.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1099 | A | 38.6 | Very low | 40.2 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | cis | -167.9 | 165.4 | -0.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1100 | Q | 39 | Very low | 40.1 | Very low | 200 Ų | 200 | 122.9 Ų | 122.9 | 94% | 0.935 | 78% | 0.777 | S | S | * | * | trans | -166.2 | 154.5 | 148.8 | -167.6 | 161.4 | -4.4 | 0 | 0 | 110.4 | ||||
| 1101 | G | 41.6 | Very low | 39.7 | Very low | 64 Ų | 64 | 121.5 Ų | 121.5 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | trans | -169.5 | 164 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1102 | T | 45.7 | Very low | 39.3 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | -162 | 144.6 | -174.5 | 45.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1103 | T | 37.5 | Very low | 39.2 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | cis | -158.4 | 148.8 | -12.2 | -76.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1104 | G | 44 | Very low | 39.2 | Very low | 60 Ų | 60 | 129.6 Ų | 129.6 | 62% | 0.619 | 79% | 0.789 | S | S | * | * | trans | -145.4 | -172.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1105 | P | 46.3 | Very low | 39.1 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | cis | -114.8 | -139.3 | 4.9 | 39 | -19.4 | 0 | 0 | 0 | 109.8 | ||||
| 1106 | P | 38.1 | Very low | 39.1 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | cis | -128.8 | 158 | 36.5 | 39.6 | -23.2 | 0 | 0 | 0 | 116.4 | ||||
| 1107 | G | 42.8 | Very low | 39.2 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -126.3 | 96.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1108 | P | 44.5 | Very low | 39 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -120.5 | 154.2 | 167.9 | 36.8 | -24.4 | 0 | 0 | 0 | 112.2 | ||||
| 1109 | K | 34.8 | Very low | 39 | Very low | 202 Ų | 202 | 129.7 Ų | 129.7 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | cis | -162 | 143.9 | -9.9 | -178.7 | 176 | -176.7 | 178.6 | 0 | 107.4 | ||||
| 1110 | G | 38.3 | Very low | 39 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | -80.3 | 146.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1111 | M | 40.2 | Very low | 38.7 | Very low | 181 Ų | 181 | 133.4 Ų | 133.4 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | trans | -136.3 | 123.7 | 163.6 | -63.3 | 176.7 | 71.1 | 0 | 0 | 105.3 | ||||
| 1112 | K | 30.4 | Very low | 38.7 | Very low | 205 Ų | 205 | 133.6 Ų | 133.6 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | cis | 60.6 | 108.3 | 31.1 | -159.8 | -176 | -176.9 | -177.5 | 0 | 112.5 | ||||
| 1113 | G | 37 | Very low | 38.1 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | cis | 156.3 | 127.6 | -7.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1114 | M | 39.8 | Very low | 37.8 | Very low | 183 Ų | 183 | 131.7 Ų | 131.7 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | -138.5 | 121.1 | 175.1 | -68.4 | 170.7 | 65 | 0 | 0 | 106.4 | ||||
| 1115 | L | 33.4 | Very low | 37.4 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | cis | 60.9 | 110 | 49.1 | -158 | 86.8 | 0 | 0 | 0 | 111.4 | ||||
| 1116 | G | 38.7 | Very low | 36.8 | Very low | 68 Ų | 68 | 132.3 Ų | 132.3 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | 141 | 126.5 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1117 | R | 37 | Very low | 36.4 | Very low | 248 Ų | 248 | 131.5 Ų | 131.5 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | trans | -136 | 151.4 | 166.3 | -92.5 | -157.5 | 164.9 | -156.4 | -3.6 | 111.3 | ||||
| 1118 | P | 33.5 | Very low | 36 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | -104.3 | 160.7 | -142.7 | -0.3 | 23 | 0 | 0 | 0 | 113.6 | ||||
| 1119 | G | 38.3 | Very low | 35.5 | Very low | 70 Ų | 70 | 131.4 Ų | 131.4 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -92 | 178.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1120 | R | 38.3 | Very low | 35.2 | Very low | 251 Ų | 251 | 126.8 Ų | 126.8 | 95% | 0.947 | 78% | 0.779 | S | S | * | * | trans | -105.3 | 123.9 | 152.8 | -69.5 | -179.1 | 175.1 | -162.1 | -2.4 | 105 | ||||
| 1121 | Q | 32.1 | Very low | 35 | Very low | 132 Ų | 132 | 127.3 Ų | 127.3 | 62% | 0.617 | 78% | 0.784 | S | S | * | * | cis | 53.5 | 94.4 | 39.1 | -157 | -176.1 | 15.5 | 0 | 0 | 111.2 | G732 | G732-Q1121 PolarHBondContact O-NE2 3.44Š| ||
| 1122 | G | 41.4 | Very low | 34.5 | Very low | 67 Ų | 67 | 125.6 Ų | 125.6 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | cis | 103.6 | 101.7 | 5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1123 | Q | 32.6 | Very low | 34.4 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 52% | 0.523 | 77% | 0.774 | S | S | . | * | trans | 176.1 | 165.9 | -177.4 | -114.7 | -178.4 | -27.9 | 0 | 0 | 108.9 | V731 | V731-Q1123 VanDerWaalsContact C-CD 3.47Å; V731-Q1123 PolarHBondContact O-NE2 3.46Å; V731-Q1123 PolarHBondContact O-OE1 3.01Å | ||
| 1124 | P | 31.4 | Very low | 34.2 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -120.7 | 161.4 | -41.1 | 19.9 | 0.3 | 0 | 0 | 0 | 111.3 | ||||
| 1125 | G | 37.3 | Very low | 34 | Very low | 78 Ų | 78 | 121.8 Ų | 121.8 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 143.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1126 | S | 33.5 | Very low | 33.8 | Very low | 122 Ų | 122 | 119.1 Ų | 119.1 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 127 | 161.6 | 54.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1127 | A | 28.4 | Very low | 33.4 | Very low | 98 Ų | 98 | 119.3 Ų | 119.3 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 148.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1128 | G | 35.6 | Very low | 33.4 | Very low | 67 Ų | 67 | 115 Ų | 115 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 137.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1129 | P | 32.5 | Very low | 33.2 | Very low | 126 Ų | 126 | 118.2 Ų | 118.2 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 156.2 | 166.1 | 30.3 | -33.4 | 0 | 0 | 0 | 110.5 | ||
| 1130 | P | 29.9 | Very low | 32.8 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 152 | -144.6 | -13.7 | 31.4 | 0 | 0 | 0 | 115.3 | I1132 | P1130-I1132 HydrophobicContact CB-CG1 4.48Å; P1130-I1132 HydrophobicContact CB-CG2 4.24Å; P1130-I1132 PolarHBondContact O-N 2.82Å |
| 1131 | G | 34.3 | Very low | 32.7 | Very low | 82 Ų | 82 | 111.8 Ų | 111.8 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -79.2 | 108.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1132 | I | 29.5 | Very low | 32.7 | Very low | 145 Ų | 145 | 114.8 Ų | 114.8 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | -143.7 | 142.5 | 170.1 | 52.8 | 171.1 | 0 | 0 | 0 | 109.5 | P1130 | P1130-I1132 HydrophobicContact CB-CG1 4.48Å; P1130-I1132 HydrophobicContact CB-CG2 4.24Å; P1130-I1132 PolarHBondContact O-N 2.82Å | ||
| 1133 | V | 27.3 | Very low | 32.2 | Very low | 135 Ų | 135 | 114.7 Ų | 114.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | cis | -150.8 | 168.1 | -26.3 | 107.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1134 | G | 33.6 | Very low | 32.6 | Very low | 52 Ų | 52 | 115.8 Ų | 115.8 | 54% | 0.536 | 80% | 0.796 | S | S | . | * | trans | -60.5 | 160.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1135 | E | 34.7 | Very low | 32.6 | Very low | 189 Ų | 189 | 119.3 Ų | 119.3 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | 104.5 | 169.8 | 101.3 | -89.5 | -166 | 133 | 0 | 0 | 111.3 | |||||
| 1136 | P | 30.7 | Very low | 32.9 | Very low | 115 Ų | 115 | 118.4 Ų | 118.4 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | cis | -117.2 | 171 | -21.8 | 18.3 | 3.9 | 0 | 0 | 0 | 111.8 | ||||
| 1137 | G | 30.4 | Very low | 33.5 | Very low | 72 Ų | 72 | 119 Ų | 119 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -93.7 | 179.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1138 | V | 35.7 | Very low | 33.9 | Very low | 158 Ų | 158 | 118.7 Ų | 118.7 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | trans | -140.1 | 160.5 | 157.6 | -97.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1139 | Q | 30.3 | Very low | 33.9 | Very low | 195 Ų | 195 | 116.8 Ų | 116.8 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | -127.9 | 146.7 | -151.5 | 172.1 | -174.6 | -19.1 | 0 | 0 | 112.9 | ||||
| 1140 | G | 29.9 | Very low | 34.4 | Very low | 74 Ų | 74 | 112.4 Ų | 112.4 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | trans | 110.6 | 153.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1141 | A | 36.6 | Very low | 35 | Very low | 112 Ų | 112 | 111 Ų | 111 | 93% | 0.926 | 73% | 0.73 | S | S | * | * | cis | -102.8 | 172.8 | 5.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1142 | Q | 30.2 | Very low | 35.1 | Very low | 195 Ų | 195 | 110.5 Ų | 110.5 | 91% | 0.911 | 73% | 0.725 | S | S | * | * | trans | -130.4 | 143.4 | -169.2 | -179.3 | -176.9 | 6.5 | 0 | 0 | 111.7 | ||||
| 1143 | G | 32.2 | Very low | 35.6 | Very low | 64 Ų | 64 | 111.6 Ų | 111.6 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | trans | 101.5 | 163.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1144 | P | 40.1 | Very low | 36.2 | Very low | 136 Ų | 136 | 111 Ų | 111 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | cis | -84.6 | 165.5 | 5.5 | 34.8 | -36.1 | 0 | 0 | 0 | 114.4 | ||||
| 1145 | M | 32.3 | Very low | 36.2 | Very low | 185 Ų | 185 | 111.9 Ų | 111.9 | 91% | 0.911 | 74% | 0.739 | S | S | * | * | trans | -99.8 | 143.3 | 175.4 | -174.4 | 167.2 | 62.1 | 0 | 0 | 109.8 | ||||
| 1146 | G | 42.9 | Very low | 36.4 | Very low | 59 Ų | 59 | 112.1 Ų | 112.1 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | trans | -90.8 | -177.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1147 | P | 45.3 | Very low | 36.7 | Very low | 136 Ų | 136 | 112.8 Ų | 112.8 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | trans | -74.2 | 164.9 | 169.1 | 33.1 | -34.6 | 0 | 0 | 0 | 112.2 | ||||
| 1148 | V | 37.7 | Very low | 37.1 | Very low | 91 Ų | 91 | 113.1 Ų | 113.1 | 55% | 0.552 | 75% | 0.748 | S | S | * | * | trans | -101 | 176.3 | -164.3 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | E1087 | E1087-V1148 HydrophobicContact CB-CG1 4.39Å; E1087-V1148 HydrophobicContact CG-CG1 4.48Å | ||
| 1149 | G | 36.4 | Very low | 37.1 | Very low | 26 Ų | 26 | 110.8 Ų | 110.8 | 27% | 0.268 | 75% | 0.745 | S | S | . | * | trans | -81.7 | -135.4 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | G1086 E1087 | G1086-G1149 CarbonylContact C-O 3.42Å; G1086-G1149 VanDerWaalsContact C-O 3.3Å; G1086-G1149 VanDerWaalsContact CA-O 3.29Å; G1086-G1149 WeakPolarHBondContact CA-O 3.46Å; E1087-G1149 VanDerWaalsContact CB-C 3.43Å; E1087-G1149 VanDerWaalsContact CB-O 3.32Å; E1087-G1149 WeakPolarHBondContact CB-O 2.99Å; E1087-G1149 PolarHBondContact N-O 3.37Å; E1087-G1149 WeakPolarHBondContact OE2-CA 3.37Å | ||
| 1150 | A | 43.3 | Very low | 37.2 | Very low | 35 Ų | 35 | 106.3 Ų | 106.3 | 29% | 0.289 | 74% | 0.742 | S | S | . | * | trans | -141.9 | 136.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | K1085 G1086 E1087 | K1085-A1150 HydrophobicContact CB-CB 4.12Å; K1085-A1150 HydrophobicContact CD-CB 4.49Å; K1085-A1150 HydrophobicContact CG-CB 3.34Å; G1086-A1150 VanDerWaalsContact N-CB 3.33Å; E1087-A1150 PolarHBondContact OE2-N 2.82Å | ||
| 1151 | P | 41.7 | Very low | 38 | Very low | 75 Ų | 75 | 106.4 Ų | 106.4 | 49% | 0.487 | 74% | 0.743 | S | S | . | * | P | Polyproline II helix | trans | -71.4 | 136.6 | 173.6 | 33 | -31.4 | 0 | 0 | 0 | 108.3 | G1086 E1087 L1153 | G1086-P1151 WeakPolarHBondContact O-CD 3.44Å; E1087-P1151 HydrophobicContact CG-CB 4.4Å; E1087-P1151 HydrophobicContact CG-CG 4.47Å; E1087-P1151 WeakPolarHBondContact OE1-CA 3.38Å; P1151-L1153 PolarHBondContact O-N 2.9Å |
| 1152 | G | 37.1 | Very low | 38.2 | Very low | 72 Ų | 72 | 106.9 Ų | 106.9 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 127.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 1153 | L | 39.7 | Very low | 38.2 | Very low | 167 Ų | 167 | 103.5 Ų | 103.5 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 140.7 | 169.8 | -76.7 | 171.1 | 0 | 0 | 0 | 109.4 | P1151 | P1151-L1153 PolarHBondContact O-N 2.9Š|
| 1154 | P | 39.1 | Very low | 38.7 | Very low | 122 Ų | 122 | 104 Ų | 104 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 138.6 | -177.7 | -24.3 | 34.5 | 0 | 0 | 0 | 112.7 | ||
| 1155 | G | 34.6 | Very low | 38.5 | Very low | 71 Ų | 71 | 106.1 Ų | 106.1 | 73% | 0.732 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 138.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 1156 | E | 38.7 | Very low | 38.4 | Very low | 195 Ų | 195 | 105 Ų | 105 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 128.9 | 175.2 | -67.1 | -148.1 | 115.5 | 0 | 0 | 111.3 | G1158 | E1156-G1158 PolarHBondContact O-N 3.31Š|
| 1157 | P | 35.6 | Very low | 37.9 | Very low | 128 Ų | 128 | 105.7 Ų | 105.7 | 83% | 0.831 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 130.9 | 179.1 | -21.8 | 34.1 | 0 | 0 | 0 | 113.1 | ||
| 1158 | G | 38.9 | Very low | 37.4 | Very low | 80 Ų | 80 | 105.9 Ų | 105.9 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 145.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1156 | E1156-G1158 PolarHBondContact O-N 3.31Š|
| 1159 | A | 36.5 | Very low | 37.2 | Very low | 108 Ų | 108 | 112.5 Ų | 112.5 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 123.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1160 | A | 32.6 | Very low | 37.5 | Very low | 102 Ų | 102 | 114.2 Ų | 114.2 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 142.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1161 | G | 46.7 | Very low | 37.3 | Very low | 75 Ų | 75 | 118.2 Ų | 118.2 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 145.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1162 | P | 39.6 | Very low | 36.9 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 164.7 | 167.3 | 35.8 | -31.1 | 0 | 0 | 0 | 112.4 | ||
| 1163 | P | 31.8 | Very low | 37 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 159.4 | -145.3 | -3.1 | 24 | 0 | 0 | 0 | 115.6 | ||
| 1164 | G | 41.8 | Very low | 36.8 | Very low | 74 Ų | 74 | 119.1 Ų | 119.1 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 165 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1165 | K | 35.5 | Very low | 36.6 | Very low | 181 Ų | 181 | 122 Ų | 122 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | trans | -165.3 | 114.5 | 156.7 | 42.7 | -168.2 | 170.1 | -172.9 | 0 | 111.4 | ||||
| 1166 | D | 30.7 | Very low | 36.5 | Very low | 161 Ų | 161 | 122 Ų | 122 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | 53.4 | 121 | 123.3 | -42.3 | -35.6 | 0 | 0 | 0 | 121.1 | |||||
| 1167 | G | 33 | Very low | 36.4 | Very low | 74 Ų | 74 | 121 Ų | 121 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | 104.9 | 145 | 125.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1168 | V | 34.8 | Very low | 36.5 | Very low | 140 Ų | 140 | 123.6 Ų | 123.6 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | cis | -141.4 | 120.1 | 23.8 | 175.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1169 | R | 32.5 | Very low | 36.3 | Very low | 230 Ų | 230 | 122.8 Ų | 122.8 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | 20.9 | 123.1 | 137.2 | 177.6 | -172.2 | -73.9 | 176.8 | -5.2 | 120.8 | ||||
| 1170 | G | 43.4 | Very low | 36.5 | Very low | 62 Ų | 62 | 125.9 Ų | 125.9 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | 73.8 | 173.9 | 127.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1171 | P | 38.3 | Very low | 36.7 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | cis | -97.3 | 160.7 | 5.6 | 41.4 | -35.5 | 0 | 0 | 0 | 112.1 | ||||
| 1172 | I | 34.4 | Very low | 36.3 | Very low | 152 Ų | 152 | 127 Ų | 127 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | 55.8 | 123.7 | 60.2 | -48.6 | 168.3 | 0 | 0 | 0 | 110.5 | |||||
| 1173 | G | 38 | Very low | 36.6 | Very low | 58 Ų | 58 | 125.7 Ų | 125.7 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | cis | 119.9 | 144.3 | 13.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1174 | L | 36 | Very low | 36.8 | Very low | 122 Ų | 122 | 126 Ų | 126 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | trans | 165.1 | 112.2 | 166.2 | -91.2 | 161.4 | 0 | 0 | 0 | 104.5 | P490 | P490-L1174 HydrophobicContact CB-CD1 3.77Å; P490-L1174 HydrophobicContact CG-CD1 3.91Å | ||
| 1175 | E | 35 | Very low | 36.5 | Very low | 184 Ų | 184 | 125.4 Ų | 125.4 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | 61.1 | 126.5 | 76.2 | -62.6 | -173.4 | 163.7 | 0 | 0 | 113.2 | |||||
| 1176 | G | 31.7 | Very low | 37.2 | Very low | 70 Ų | 70 | 122.8 Ų | 122.8 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | cis | 164.2 | -175 | -2.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1177 | L | 37.7 | Very low | 37.5 | Very low | 175 Ų | 175 | 121.4 Ų | 121.4 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | -156.3 | 139.8 | 160.7 | -112.5 | 162.5 | 0 | 0 | 0 | 111.2 | ||||
| 1178 | F | 38.5 | Very low | 37.7 | Very low | 182 Ų | 182 | 118.8 Ų | 118.8 | 80% | 0.798 | 73% | 0.73 | S | S | * | * | trans | -63.4 | 163 | 170.7 | -88.8 | -130.3 | 0 | 0 | 0 | 111 | ||||
| 1179 | G | 34.1 | Very low | 38.2 | Very low | 63 Ų | 63 | 117.6 Ų | 117.6 | 65% | 0.649 | 73% | 0.725 | S | S | * | * | cis | 130.6 | 142 | 4.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1180 | D | 40.8 | Very low | 38.3 | Very low | 172 Ų | 172 | 113 Ų | 113 | 92% | 0.92 | 72% | 0.723 | S | S | * | * | trans | -127.5 | 127.3 | 171.3 | -92.5 | -44.8 | 0 | 0 | 0 | 108.5 | ||||
| 1181 | D | 37.5 | Very low | 38 | Very low | 144 Ų | 144 | 113.2 Ų | 113.2 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 151.4 | -169.3 | -74.1 | -57.1 | 0 | 0 | 0 | 114.2 | ||
| 1182 | G | 37.1 | Very low | 38 | Very low | 57 Ų | 57 | 114.4 Ų | 114.4 | 59% | 0.588 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 156.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 1183 | P | 45.7 | Very low | 38.1 | Very low | 95 Ų | 95 | 113.4 Ų | 113.4 | 62% | 0.617 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 142.3 | 178.9 | 25.5 | -34 | 0 | 0 | 0 | 111.9 | ||
| 1184 | P | 35.8 | Very low | 38 | Very low | 130 Ų | 130 | 114.3 Ų | 114.3 | 84% | 0.844 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 136.7 | 178.7 | -23.8 | 34.2 | 0 | 0 | 0 | 113.2 | ||
| 1185 | G | 37 | Very low | 38 | Very low | 61 Ų | 61 | 116 Ų | 116 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 153.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1186 | P | 49.8 | Very low | 37.9 | Very low | 126 Ų | 126 | 116.6 Ų | 116.6 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 135.3 | -176.4 | 24.1 | -33.8 | 0 | 0 | 0 | 112.3 | G1188 | P1186-G1188 PolarHBondContact O-N 3.17Å; P1186-G1188 VanDerWaalsContact O-N 3.17Å |
| 1187 | P | 36.3 | Very low | 38.5 | Very low | 132 Ų | 132 | 116.3 Ų | 116.3 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 117.6 | 179.3 | -26.2 | 35.5 | 0 | 0 | 0 | 113.1 | ||
| 1188 | G | 36.9 | Very low | 38.5 | Very low | 19 Ų | 19 | 114 Ų | 114 | 20% | 0.196 | 75% | 0.752 | C | S | . | * | P | Polyproline II helix | trans | -69.3 | 139.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1186 K1586 Y1587 | P1186-G1188 PolarHBondContact O-N 3.17Å; P1186-G1188 VanDerWaalsContact O-N 3.17Å; G1188-K1586 PolarHBondContact O-NZ 3.48Å; G1188-K1586 VanDerWaalsContact O-NZ 3.09Å; G1188-Y1587 WeakPolarHBondContact CA-OH 3.22Å |
| 1189 | P | 46.1 | Very low | 38.3 | Very low | 115 Ų | 115 | 111.7 Ų | 111.7 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 147.9 | -178 | 22.4 | -34.2 | 0 | 0 | 0 | 112.8 | ||
| 1190 | V | 34.9 | Very low | 38.6 | Very low | 134 Ų | 134 | 112.3 Ų | 112.3 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -108 | 135.2 | -176.9 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1191 | G | 35.5 | Very low | 38.7 | Very low | 66 Ų | 66 | 110.6 Ų | 110.6 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 154.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1192 | V | 38.7 | Very low | 38.6 | Very low | 145 Ų | 145 | 108.8 Ų | 108.8 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 122.4 | 178 | -77.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1193 | P | 36.5 | Very low | 38.5 | Very low | 131 Ų | 131 | 109.7 Ų | 109.7 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 159.6 | 174.4 | -21.3 | 34.9 | 0 | 0 | 0 | 114.1 | ||
| 1194 | G | 36.6 | Very low | 38.1 | Very low | 78 Ų | 78 | 114.2 Ų | 114.2 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -94.6 | -178.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1195 | V | 36.8 | Very low | 37.9 | Very low | 156 Ų | 156 | 113.9 Ų | 113.9 | 95% | 0.945 | 78% | 0.781 | S | S | * | * | trans | -108.7 | 152 | -178.8 | -77.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1196 | Q | 32.8 | Very low | 38.3 | Very low | 198 Ų | 198 | 114 Ų | 114 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -86.2 | 148.4 | -171.5 | -169.8 | 173.7 | 6.8 | 0 | 0 | 112.9 | ||||
| 1197 | G | 43.5 | Very low | 38 | Very low | 63 Ų | 63 | 113.4 Ų | 113.4 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | trans | -101.8 | 178.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1198 | P | 37.4 | Very low | 38 | Very low | 126 Ų | 126 | 113.2 Ų | 113.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -78.7 | 167.6 | 179.2 | 33.4 | -35.8 | 0 | 0 | 0 | 113.8 | ||||
| 1199 | P | 35 | Very low | 38.2 | Very low | 135 Ų | 135 | 115.7 Ų | 115.7 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -77.8 | 165.3 | -166.9 | -15.2 | 31.9 | 0 | 0 | 0 | 115.2 | ||||
| 1200 | G | 40 | Very low | 38.1 | Very low | 76 Ų | 76 | 117.8 Ų | 117.8 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -122.7 | 178.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1201 | T | 43.4 | Very low | 38.3 | Very low | 135 Ų | 135 | 117 Ų | 117 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | trans | -120.7 | 114.7 | 171.7 | 51 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1202 | A | 33.8 | Very low | 38.6 | Very low | 107 Ų | 107 | 117.6 Ų | 117.6 | 88% | 0.884 | 81% | 0.809 | S | S | * | * | 72.6 | 129.6 | 96.7 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 1203 | G | 36.3 | Very low | 38.6 | Very low | 76 Ų | 76 | 117.8 Ų | 117.8 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -165.3 | 178.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1204 | E | 36.8 | Very low | 38.4 | Very low | 189 Ų | 189 | 122.2 Ų | 122.2 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -152.7 | 155.5 | -176 | -70.2 | -173.8 | 147.3 | 0 | 0 | 108 | ||||
| 1205 | T | 32.4 | Very low | 38.6 | Very low | 124 Ų | 124 | 122 Ų | 122 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | cis | -157.6 | 164.2 | -22.9 | -81.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 1206 | G | 45.1 | Very low | 38.6 | Very low | 62 Ų | 62 | 119.3 Ų | 119.3 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | -71.8 | -151.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1207 | P | 43.5 | Very low | 38.8 | Very low | 115 Ų | 115 | 114.8 Ų | 114.8 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | cis | -144.1 | -163.7 | 19.1 | 40.1 | -17.8 | 0 | 0 | 0 | 115.3 | ||||
| 1208 | T | 36.5 | Very low | 38.3 | Very low | 128 Ų | 128 | 115 Ų | 115 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 73.9 | 117.8 | 155.6 | -50.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1209 | G | 40.5 | Very low | 38.8 | Very low | 71 Ų | 71 | 115.5 Ų | 115.5 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | -104.9 | 174.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1210 | D | 43.3 | Very low | 39 | Very low | 158 Ų | 158 | 117.8 Ų | 117.8 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -128.5 | 165.8 | -176.2 | -108.4 | -27.5 | 0 | 0 | 0 | 110.8 | ||||
| 1211 | P | 40.4 | Very low | 38.7 | Very low | 118 Ų | 118 | 117.3 Ų | 117.3 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | -98.5 | 161.9 | -132.4 | -7.2 | 28.3 | 0 | 0 | 0 | 114.5 | ||||
| 1212 | G | 41.7 | Very low | 38.6 | Very low | 78 Ų | 78 | 116.3 Ų | 116.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -93.8 | 139.7 | 160 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1213 | D | 37.7 | Very low | 38.9 | Very low | 149 Ų | 149 | 117 Ų | 117 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -155.5 | 154.3 | 159.6 | -151.5 | -6.4 | 0 | 0 | 0 | 112.9 | ||||
| 1214 | R | 32.1 | Very low | 38.6 | Very low | 224 Ų | 224 | 117.4 Ų | 117.4 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | 60.1 | 108 | 154.6 | -134.7 | 172.1 | -162.9 | 132.5 | 1.4 | 120.8 | ||||
| 1215 | G | 41.8 | Very low | 38.6 | Very low | 74 Ų | 74 | 118 Ų | 118 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | -85.5 | 169.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1216 | A | 37.6 | Very low | 38.8 | Very low | 100 Ų | 100 | 123.4 Ų | 123.4 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -149.1 | 148.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1217 | A | 36.4 | Very low | 38.2 | Very low | 103 Ų | 103 | 123.1 Ų | 123.1 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | 39.9 | 111.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1218 | G | 32.2 | Very low | 38.3 | Very low | 67 Ų | 67 | 123.7 Ų | 123.7 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 165.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1220 | G1218-M1220 PolarHBondContact O-N 3.02Š|
| 1219 | P | 48 | Very low | 38.5 | Very low | 136 Ų | 136 | 123.5 Ų | 123.5 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 124.7 | 180 | 28.4 | -33.8 | 0 | 0 | 0 | 112.1 | ||
| 1220 | M | 39 | Very low | 38.1 | Very low | 183 Ų | 183 | 123 Ų | 123 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 142 | 170 | 177.5 | 172.5 | 57.3 | 0 | 0 | 110.9 | G1218 | G1218-M1220 PolarHBondContact O-N 3.02Š|
| 1221 | G | 33.4 | Very low | 37.8 | Very low | 66 Ų | 66 | 123.6 Ų | 123.6 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 141.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 1222 | S | 42.8 | Very low | 37.5 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 129.5 | 170 | 53.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 1223 | P | 38.9 | Very low | 37.2 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 158.8 | 173.8 | -25.8 | 35.8 | 0 | 0 | 0 | 114 | ||
| 1224 | G | 30.9 | Very low | 37.3 | Very low | 85 Ų | 85 | 121.2 Ų | 121.2 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 141.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1225 | E | 36.4 | Very low | 37.5 | Very low | 203 Ų | 203 | 119.8 Ų | 119.8 | 95% | 0.949 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 159.5 | 179 | -67.2 | -149.7 | 120.9 | 0 | 0 | 114.1 | ||
| 1226 | R | 37.1 | Very low | 37.3 | Very low | 236 Ų | 236 | 119.1 Ų | 119.1 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 141 | -168.2 | -178.2 | 178.8 | -69.4 | 162.8 | -2.2 | 111.3 | ||
| 1227 | G | 31.7 | Very low | 37.3 | Very low | 57 Ų | 57 | 123.3 Ų | 123.3 | 59% | 0.588 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59 | 148.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1229 | G1227-P1229 WeakPolarHBondContact O-CD 3.26Š|
| 1228 | P | 46.1 | Very low | 37.2 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 128.4 | -167.5 | 28.3 | -35.3 | 0 | 0 | 0 | 113.5 | ||
| 1229 | P | 39.5 | Very low | 37.5 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 156.1 | 155.4 | -13.6 | 30.3 | 0 | 0 | 0 | 110.6 | G1227 | G1227-P1229 WeakPolarHBondContact O-CD 3.26Š|
| 1230 | G | 32.8 | Very low | 37.4 | Very low | 61 Ų | 61 | 125.6 Ų | 125.6 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | trans | -131.3 | -165.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1231 | I | 37.8 | Very low | 37.3 | Very low | 170 Ų | 170 | 126.1 Ų | 126.1 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | 64.1 | 153.2 | 178.6 | 80.4 | 165.1 | 0 | 0 | 0 | 114.8 | ||||
| 1232 | T | 33.8 | Very low | 37.5 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | cis | -156.7 | 161.5 | 0.3 | -16.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1233 | G | 35.6 | Very low | 38 | Very low | 72 Ų | 72 | 126.6 Ų | 126.6 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | cis | 135.3 | 96.5 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1234 | A | 40.1 | Very low | 38 | Very low | 94 Ų | 94 | 130 Ų | 130 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -157.6 | 138.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1235 | E | 36 | Very low | 38.2 | Very low | 194 Ų | 194 | 129 Ų | 129 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | cis | 85.4 | 130.3 | 38 | -168 | 176 | -149.2 | 0 | 0 | 113 | ||||
| 1236 | G | 36.6 | Very low | 38.3 | Very low | 60 Ų | 60 | 129.2 Ų | 129.2 | 62% | 0.619 | 80% | 0.796 | S | S | * | * | cis | 175.6 | -162 | -2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1237 | Q | 38.4 | Very low | 38.3 | Very low | 188 Ų | 188 | 127.5 Ų | 127.5 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | 75.7 | 145.9 | 173.9 | -49.1 | 174.9 | 19.4 | 0 | 0 | 117.2 | ||||
| 1238 | V | 34.5 | Very low | 38.4 | Very low | 147 Ų | 147 | 128 Ų | 128 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | cis | 147.4 | 124.2 | -37.2 | 165.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1239 | G | 39.1 | Very low | 38 | Very low | 71 Ų | 71 | 130.7 Ų | 130.7 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | 85.8 | 159.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1240 | P | 45.4 | Very low | 37.8 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | cis | -125.9 | -171.8 | 26.2 | 42.3 | -28.4 | 0 | 0 | 0 | 116.4 | ||||
| 1241 | Q | 37.3 | Very low | 38.2 | Very low | 193 Ų | 193 | 134 Ų | 134 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -83.9 | 149.1 | -172.1 | 176.7 | -180 | -10.9 | 0 | 0 | 113.7 | ||||
| 1242 | G | 37.2 | Very low | 38.4 | Very low | 60 Ų | 60 | 132 Ų | 132 | 62% | 0.619 | 81% | 0.813 | S | S | * | * | trans | -100 | 178.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1243 | P | 52.4 | Low | 38.6 | Very low | 132 Ų | 132 | 132 Ų | 132 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | -96.5 | 125.9 | -174.8 | 35.5 | -32.2 | 0 | 0 | 0 | 115.1 | ||||
| 1244 | E | 40.2 | Very low | 38.5 | Very low | 192 Ų | 192 | 131.9 Ų | 131.9 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | -55 | 153.7 | 143 | 179 | 176.1 | -144.3 | 0 | 0 | 110.3 | ||||
| 1245 | G | 33.7 | Very low | 38.3 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 82% | 0.821 | S | S | * | * | cis | 146.6 | 139.7 | 2.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1246 | E | 39.6 | Very low | 38.4 | Very low | 206 Ų | 206 | 133.9 Ų | 133.9 | 96% | 0.963 | 82% | 0.822 | S | S | * | * | trans | -139 | 160.1 | 171.8 | -83.2 | -149.4 | 132.7 | 0 | 0 | 112.8 | ||||
| 1247 | Q | 36.2 | Very low | 38.7 | Very low | 201 Ų | 201 | 134.5 Ų | 134.5 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | trans | -149.6 | 143.3 | -143.3 | 178.6 | -173.7 | -3.2 | 0 | 0 | 113.4 | ||||
| 1248 | G | 34.4 | Very low | 39 | Very low | 67 Ų | 67 | 131.1 Ų | 131.1 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | 108.6 | 155.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1249 | L | 36.4 | Very low | 39.3 | Very low | 182 Ų | 182 | 133.4 Ų | 133.4 | 95% | 0.953 | 82% | 0.82 | S | S | * | * | cis | -121.9 | 140.6 | 17.5 | -69.2 | 169.7 | 0 | 0 | 0 | 115 | ||||
| 1250 | Q | 36.2 | Very low | 39.3 | Very low | 197 Ų | 197 | 132.6 Ų | 132.6 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -64.1 | 159.6 | 156.6 | 170.1 | -172.2 | 79.6 | 0 | 0 | 110.1 | ||||
| 1251 | G | 41 | Very low | 39.1 | Very low | 60 Ų | 60 | 134.2 Ų | 134.2 | 62% | 0.619 | 81% | 0.814 | S | S | * | * | cis | 175.7 | 179.8 | 2.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1252 | P | 42.4 | Very low | 39.4 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | -150.3 | 168.1 | 93.1 | 37.6 | -19.6 | 0 | 0 | 0 | 116.8 | |||||
| 1253 | P | 36.8 | Very low | 39.5 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | trans | -88.4 | -179.2 | 174.8 | 0.5 | 21.7 | 0 | 0 | 0 | 112.7 | ||||
| 1254 | G | 33.7 | Very low | 39.1 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | cis | 122.9 | 133.3 | -1.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1255 | E | 37.5 | Very low | 39 | Very low | 196 Ų | 196 | 136 Ų | 136 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -148.3 | 164.4 | -178.3 | -67.6 | -169.6 | 85 | 0 | 0 | 113 | ||||
| 1256 | S | 38.3 | Very low | 39.3 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 94% | 0.937 | 83% | 0.829 | S | S | * | * | trans | -171.3 | 143.7 | 169.6 | -82.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1257 | G | 41.9 | Very low | 39.4 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | trans | 120.4 | 174.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1258 | P | 45.5 | Very low | 39.5 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | cis | -105.1 | -174.1 | -2.9 | 44.5 | -35.7 | 0 | 0 | 0 | 112.1 | ||||
| 1259 | K | 39.2 | Very low | 39.8 | Very low | 195 Ų | 195 | 129.5 Ų | 129.5 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | cis | 83.7 | 135.2 | 13.1 | 178.6 | -174.9 | 174.2 | -174.6 | 0 | 116.6 | ||||
| 1260 | G | 39.1 | Very low | 40.4 | Very low | 55 Ų | 55 | 127.1 Ų | 127.1 | 57% | 0.567 | 82% | 0.818 | S | S | * | * | cis | 143.3 | 124.4 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1261 | N | 42.6 | Very low | 40.5 | Very low | 170 Ų | 170 | 126 Ų | 126 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -154.1 | 166.9 | -174.9 | -92.4 | -29.9 | 0 | 0 | 0 | 116.6 | ||||
| 1262 | L | 42.4 | Very low | 40.2 | Very low | 176 Ų | 176 | 126.1 Ų | 126.1 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -98.2 | 176 | -169.4 | -79.3 | 64.1 | 0 | 0 | 0 | 114.5 | ||||
| 1263 | G | 39.2 | Very low | 40.6 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | cis | 136.4 | 136.7 | -1.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1264 | K | 44.3 | Very low | 40.6 | Very low | 221 Ų | 221 | 128.3 Ų | 128.3 | 96% | 0.961 | 82% | 0.815 | S | S | * | * | trans | -166.3 | 176.2 | 178.2 | -115.9 | 168.7 | -172.8 | 177.6 | 0 | 116.9 | ||||
| 1265 | T | 38.1 | Very low | 40.6 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | trans | -94.6 | 168.5 | -163.9 | -37.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1266 | G | 40.9 | Very low | 40.6 | Very low | 72 Ų | 72 | 126.1 Ų | 126.1 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -131.5 | -157.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1267 | S | 40.5 | Very low | 40.6 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -152.4 | 167 | -169.4 | 56.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1268 | P | 39.2 | Very low | 40.2 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | trans | -89.1 | 178.1 | -165.1 | -10 | 29.9 | 0 | 0 | 0 | 118 | ||||
| 1269 | G | 40.4 | Very low | 39.9 | Very low | 73 Ų | 73 | 126.2 Ų | 126.2 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -123.5 | -171.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1270 | P | 48.8 | Very low | 39.6 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -107.2 | 146.5 | -160.4 | 38.4 | -33.4 | 0 | 0 | 0 | 118.1 | ||||
| 1271 | I | 37.6 | Very low | 39.5 | Very low | 173 Ų | 173 | 127.8 Ų | 127.8 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -25.7 | 140.7 | 163.2 | -60.5 | 155.1 | 0 | 0 | 0 | 116.8 | ||||
| 1272 | G | 36.5 | Very low | 39.2 | Very low | 63 Ų | 63 | 127 Ų | 127 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | trans | -108.1 | 162.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1273 | P | 49.3 | Very low | 38.8 | Very low | 133 Ų | 133 | 122.1 Ų | 122.1 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -86.8 | 122.6 | -174.8 | 32.7 | -33.6 | 0 | 0 | 0 | 114.7 | ||||
| 1274 | K | 37.1 | Very low | 38.5 | Very low | 169 Ų | 169 | 122.3 Ų | 122.3 | 74% | 0.735 | 81% | 0.81 | S | S | * | * | trans | 9.1 | 125.8 | 147.7 | -166.5 | -167.8 | -177.1 | -156.9 | 0 | 118.7 | E1276 | K1274-E1276 WeakPolarHBondContact CE-OE1 3.49Å; K1274-E1276 IonicContact NZ-OE1 2.62Å; K1274-E1276 PolarHBondContact NZ-OE1 3.24Å | ||
| 1275 | G | 34.1 | Very low | 38.4 | Very low | 73 Ų | 73 | 119.6 Ų | 119.6 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -95.7 | 157.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1276 | E | 38.1 | Very low | 38.3 | Very low | 148 Ų | 148 | 118.7 Ų | 118.7 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | -149.3 | 149.1 | 175.5 | -60.7 | -176.3 | 174.1 | 0 | 0 | 107.1 | K1274 | K1274-E1276 WeakPolarHBondContact CE-OE1 3.49Å; K1274-E1276 IonicContact NZ-OE1 2.62Å; K1274-E1276 PolarHBondContact NZ-OE1 3.24Å | ||
| 1277 | S | 37 | Very low | 38.1 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | cis | -158.4 | 155.9 | -19.9 | -85.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1278 | G | 35 | Very low | 38.2 | Very low | 71 Ų | 71 | 119.5 Ų | 119.5 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | -66.4 | 161.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1279 | P | 38.6 | Very low | 37.8 | Very low | 139 Ų | 139 | 119.8 Ų | 119.8 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | trans | -76.5 | 158.4 | -170.5 | 32.1 | -37.2 | 0 | 0 | 0 | 114.2 | ||||
| 1280 | K | 33.7 | Very low | 38 | Very low | 216 Ų | 216 | 119.6 Ų | 119.6 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | trans | -128.3 | 132.9 | 169.2 | -165.7 | 176.5 | -176 | -178.4 | 0 | 109.2 | ||||
| 1281 | G | 35.2 | Very low | 37.7 | Very low | 66 Ų | 66 | 119.2 Ų | 119.2 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | -109.5 | 156.9 | -162.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1282 | V | 37.4 | Very low | 37.5 | Very low | 154 Ų | 154 | 117.5 Ų | 117.5 | 93% | 0.933 | 80% | 0.796 | S | S | * | * | trans | 54.4 | 119.9 | 149.9 | -159.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1283 | G | 34.5 | Very low | 37.4 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -139.1 | 143.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1284 | G | 33 | Very low | 37.1 | Very low | 72 Ų | 72 | 118.2 Ų | 118.2 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -104.6 | 161.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1285 | N | 42.2 | Very low | 36.8 | Very low | 165 Ų | 165 | 120.1 Ų | 120.1 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -82.4 | 137.2 | -177.8 | -60.2 | -11.1 | 0 | 0 | 0 | 113.1 | ||||
| 1286 | P | 35.2 | Very low | 36.9 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -89.1 | 164.2 | 144.9 | -1.8 | 22.6 | 0 | 0 | 0 | 110.2 | ||||
| 1287 | G | 35.9 | Very low | 37.1 | Very low | 63 Ų | 63 | 122.3 Ų | 122.3 | 65% | 0.649 | 82% | 0.821 | S | S | * | * | trans | -161.3 | -175.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1288 | T | 43.4 | Very low | 37.3 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | 64.3 | 127.2 | 174.7 | 64.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1289 | V | 30 | Very low | 37.5 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 87% | 0.873 | 82% | 0.822 | S | S | * | * | -167.8 | 137.5 | 112.3 | 147.5 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 1290 | G | 45.2 | Very low | 37.9 | Very low | 68 Ų | 68 | 125.1 Ų | 125.1 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | -105 | 144.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1291 | P | 42.1 | Very low | 37.9 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | trans | -96.4 | 172.4 | 174.6 | 37 | -32.5 | 0 | 0 | 0 | 113.9 | ||||
| 1292 | P | 35 | Very low | 37.9 | Very low | 136 Ų | 136 | 123.2 Ų | 123.2 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -95.6 | 172.9 | -152.1 | -7.2 | 27.6 | 0 | 0 | 0 | 117.8 | ||||
| 1293 | G | 33.7 | Very low | 38.4 | Very low | 71 Ų | 71 | 123.6 Ų | 123.6 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | -73.9 | 178.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1294 | P | 41.9 | Very low | 38.4 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -91.7 | 171.3 | -149.2 | 35.5 | -38.8 | 0 | 0 | 0 | 116.3 | ||||
| 1295 | K | 32.6 | Very low | 39.1 | Very low | 210 Ų | 210 | 126.4 Ų | 126.4 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | trans | -123.4 | 135.7 | 172.7 | -173.2 | 179.8 | 178.9 | -174.6 | 0 | 110 | ||||
| 1296 | G | 35.1 | Very low | 39.3 | Very low | 74 Ų | 74 | 124.4 Ų | 124.4 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | -81.2 | 179.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1297 | E | 43.5 | Very low | 39.3 | Very low | 192 Ų | 192 | 124.7 Ų | 124.7 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | -74 | 162.6 | -162.4 | -53.4 | 171 | 139.3 | 0 | 0 | 116.5 | ||||
| 1298 | Q | 40.3 | Very low | 40 | Very low | 198 Ų | 198 | 123.5 Ų | 123.5 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -143 | 137.5 | 156.2 | 179.7 | 178.2 | -19.2 | 0 | 0 | 108.2 | ||||
| 1299 | G | 39.9 | Very low | 39.9 | Very low | 63 Ų | 63 | 122.9 Ų | 122.9 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | trans | -131.4 | 165.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1300 | S | 45.8 | Very low | 40.3 | Very low | 123 Ų | 123 | 119.5 Ų | 119.5 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | 64.1 | 120.1 | 167.4 | 68.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1301 | I | 34.3 | Very low | 40.6 | Very low | 179 Ų | 179 | 119.5 Ų | 119.5 | 92% | 0.918 | 76% | 0.763 | S | S | * | * | trans | -157 | 149.3 | 138.1 | -95.9 | 156.7 | 0 | 0 | 0 | 104.7 | ||||
| 1302 | G | 35.8 | Very low | 40.5 | Very low | 64 Ų | 64 | 120.4 Ų | 120.4 | 66% | 0.66 | 76% | 0.756 | S | S | * | * | trans | -134.2 | 165.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1303 | D | 46.4 | Very low | 40.5 | Very low | 161 Ų | 161 | 123.1 Ų | 123.1 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | trans | 49.1 | 129.9 | 167.2 | -60.9 | -8.4 | 0 | 0 | 0 | 118.5 | ||||
| 1304 | P | 34.6 | Very low | 41 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | -148.9 | 174.6 | 60.6 | 39.1 | -19.1 | 0 | 0 | 0 | 117.1 | |||||
| 1305 | G | 47.6 | Very low | 40.9 | Very low | 70 Ų | 70 | 124.1 Ų | 124.1 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | -134.6 | 155.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1306 | P | 47.9 | Very low | 41.2 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | -141.5 | -167 | 126.7 | 33.6 | -13.4 | 0 | 0 | 0 | 111.2 | |||||
| 1307 | T | 33.9 | Very low | 41.6 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | cis | -153.4 | -151.7 | 14.8 | -30.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1308 | G | 50.9 | Low | 41.3 | Very low | 38 Ų | 38 | 121.9 Ų | 121.9 | 39% | 0.392 | 75% | 0.746 | S | S | . | * | trans | 171.6 | -155.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R412 | R412-G1308 CarbonylContact O-C 3.57Å; R412-G1308 VanDerWaalsContact O-C 3.3Å | ||
| 1309 | K | 41.4 | Very low | 41.2 | Very low | 133 Ų | 133 | 122.3 Ų | 122.3 | 58% | 0.578 | 75% | 0.748 | S | S | * | * | trans | 100 | 173 | 165.2 | 42.6 | -179.5 | -157 | 113.8 | 0 | 122 | R410 G411 R412 P413 | R410-K1309 PolarHBondContact O-NZ 2.75Å; G411-K1309 PolarHBondContact O-NZ 2.63Å; R412-K1309 CarbonylContact C-O 3.54Å; R412-K1309 HydrophobicContact CB-CG 4.18Å; R412-K1309 VanDerWaalsContact N-CG 3.31Å; R412-K1309 CarbonylContact O-C 3.5Å; R412-K1309 WeakPolarHBondContact O-CA 3.35Å; R412-K1309 PolarHBondContact O-N 3.34Å; P413-K1309 VanDerWaalsContact CA-O 3.24Å; P413-K1309 WeakPolarHBondContact CA-O 3.46Å | ||
| 1310 | Q | 38.4 | Very low | 41.7 | Very low | 72 Ų | 72 | 122.5 Ų | 122.5 | 34% | 0.336 | 75% | 0.75 | S | S | . | * | trans | 50.9 | 138.2 | 171.9 | -150.6 | 127.7 | 12.1 | 0 | 0 | 127.6 | E1312 | Q1310-E1312 PolarHBondContact NE2-OE1 3.25Š| ||
| 1311 | G | 51.2 | Low | 41.3 | Very low | 69 Ų | 69 | 120.8 Ų | 120.8 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | -163.2 | 169.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1312 | E | 39.5 | Very low | 41.8 | Very low | 143 Ų | 143 | 115.9 Ų | 115.9 | 67% | 0.668 | 72% | 0.716 | S | S | * | * | trans | -157.5 | 161 | -171.2 | -52.9 | 177.2 | -149.2 | 0 | 0 | 109.3 | R410 Q1310 | R410-E1312 IonicContact CZ-OE1 3.68Å; R410-E1312 IonicContact NH2-OE1 2.72Å; R410-E1312 PolarHBondContact NH2-OE1 2.76Å; R410-E1312 IonicContact NH2-OE2 2.66Å; Q1310-E1312 PolarHBondContact NE2-OE1 3.25Å | ||
| 1313 | M | 35.4 | Very low | 42.2 | Very low | 192 Ų | 192 | 115.3 Ų | 115.3 | 95% | 0.946 | 71% | 0.71 | S | S | * | * | cis | -161.5 | -164.7 | 2.4 | -171.8 | 158.4 | 166.2 | 0 | 0 | 111.8 | ||||
| 1314 | G | 45.1 | Very low | 42 | Very low | 57 Ų | 57 | 113.6 Ų | 113.6 | 59% | 0.588 | 71% | 0.708 | S | S | * | * | trans | -171.3 | -171.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1315 | D | 39.7 | Very low | 42.5 | Very low | 176 Ų | 176 | 117.3 Ų | 117.3 | 94% | 0.941 | 70% | 0.704 | S | S | * | * | trans | -142.9 | 160.4 | -168.3 | -86.5 | -48.6 | 0 | 0 | 0 | 119.6 | ||||
| 1316 | H | 38.6 | Very low | 42.6 | Very low | 198 Ų | 198 | 116.8 Ų | 116.8 | 92% | 0.917 | 70% | 0.698 | S | S | * | * | trans | -169.5 | 168.9 | 179.9 | -153.7 | 66.6 | 0 | 0 | 0 | 114.1 | ||||
| 1317 | G | 43.7 | Very low | 42.7 | Very low | 53 Ų | 53 | 117.2 Ų | 117.2 | 55% | 0.546 | 70% | 0.701 | S | S | . | * | cis | 162.2 | 149.4 | -9.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1318 | D | 37.4 | Very low | 43.2 | Very low | 177 Ų | 177 | 118.7 Ų | 118.7 | 95% | 0.947 | 70% | 0.704 | S | S | * | * | trans | -131.3 | 168.5 | -162.6 | -81.4 | -37 | 0 | 0 | 0 | 120.8 | ||||
| 1319 | Q | 38.9 | Very low | 43.3 | Very low | 208 Ų | 208 | 119.9 Ų | 119.9 | 97% | 0.972 | 72% | 0.716 | S | S | * | * | trans | -153.2 | -172.8 | -170.4 | -139.2 | 178.2 | 22.5 | 0 | 0 | 118.9 | ||||
| 1320 | G | 49.1 | Very low | 43.5 | Very low | 67 Ų | 67 | 121.2 Ų | 121.2 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | trans | -150.6 | -169.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1321 | P | 37.1 | Very low | 43.8 | Very low | 87 Ų | 87 | 127.3 Ų | 127.3 | 57% | 0.565 | 76% | 0.758 | S | S | * | * | trans | -127 | 177.3 | -150.8 | 43.9 | -32.9 | 0 | 0 | 0 | 123.5 | I395 | I395-P1321 HydrophobicContact CD1-CB 3.64Å; I395-P1321 HydrophobicContact CG1-CB 3.58Å | ||
| 1322 | P | 46.3 | Very low | 43.6 | Very low | 75 Ų | 75 | 127.3 Ų | 127.3 | 49% | 0.487 | 76% | 0.758 | S | S | . | * | trans | -131.8 | -159.1 | -166.2 | 40.7 | -20 | 0 | 0 | 0 | 120.4 | ||||
| 1323 | G | 43.4 | Very low | 43.8 | Very low | 52 Ų | 52 | 130.3 Ų | 130.3 | 54% | 0.536 | 77% | 0.772 | S | S | . | * | trans | -155.7 | -168.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1324 | P | 42.2 | Very low | 44 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -121.3 | -164.5 | -156.9 | 43.3 | -32 | 0 | 0 | 0 | 121.8 | ||||
| 1325 | R | 45.6 | Very low | 43.8 | Very low | 214 Ų | 214 | 127.9 Ų | 127.9 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | -143.1 | 169.7 | -152.2 | 170.2 | 178.9 | 171.8 | -169.3 | 1.9 | 119 | ||||
| 1326 | G | 49.7 | Very low | 43.9 | Very low | 58 Ų | 58 | 125.6 Ų | 125.6 | 60% | 0.598 | 77% | 0.771 | S | S | * | * | trans | -131.4 | -166.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1327 | P | 48.9 | Very low | 43.9 | Very low | 133 Ų | 133 | 122.5 Ų | 122.5 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -120.4 | -167 | -160.1 | 43.6 | -32.2 | 0 | 0 | 0 | 120.5 | ||||
| 1328 | N | 45.3 | Very low | 43.7 | Very low | 166 Ų | 166 | 123.1 Ų | 123.1 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -118.6 | -173.2 | -154 | -63 | -5.7 | 0 | 0 | 0 | 118.8 | ||||
| 1329 | G | 53.2 | Low | 44.1 | Very low | 62 Ų | 62 | 121 Ų | 121 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | trans | -161.2 | -165.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1330 | D | 45.7 | Very low | 44 | Very low | 162 Ų | 162 | 118 Ų | 118 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | trans | -143 | 160.8 | -166.9 | -41.8 | -95.7 | 0 | 0 | 0 | 111 | ||||
| 1331 | E | 43.5 | Very low | 43.8 | Very low | 199 Ų | 199 | 117.7 Ų | 117.7 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | cis | 86.4 | 129.7 | 16.3 | -161.9 | 159.5 | -75.8 | 0 | 0 | 116.8 | ||||
| 1332 | G | 46.4 | Very low | 43.8 | Very low | 69 Ų | 69 | 119.5 Ų | 119.5 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | cis | 177.4 | 163.6 | -8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1333 | E | 44.5 | Very low | 43.4 | Very low | 206 Ų | 206 | 122.1 Ų | 122.1 | 96% | 0.963 | 79% | 0.792 | S | S | * | * | trans | -140.1 | 167.2 | 178.4 | -90.2 | -151.2 | 133.6 | 0 | 0 | 116 | ||||
| 1334 | S | 39 | Very low | 43.2 | Very low | 129 Ų | 129 | 123 Ų | 123 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -119.6 | 159.3 | -156 | -64.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1335 | G | 41.3 | Very low | 43.1 | Very low | 70 Ų | 70 | 123 Ų | 123 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | -104.2 | 167.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1336 | P | 42 | Very low | 42.6 | Very low | 127 Ų | 127 | 118.9 Ų | 118.9 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 161.1 | -172.7 | 33.9 | -36.5 | 0 | 0 | 0 | 115.1 | ||
| 1337 | P | 38.7 | Very low | 42.3 | Very low | 133 Ų | 133 | 119.7 Ų | 119.7 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 150.5 | -169.4 | -13.9 | 31.2 | 0 | 0 | 0 | 115.3 | ||
| 1338 | G | 40.1 | Very low | 41.8 | Very low | 66 Ų | 66 | 120.5 Ų | 120.5 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 156.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1339 | P | 44.8 | Very low | 41.5 | Very low | 134 Ų | 134 | 120.5 Ų | 120.5 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 138.7 | -179.7 | 31.8 | -34.7 | 0 | 0 | 0 | 113.4 | ||
| 1340 | T | 36.2 | Very low | 41.1 | Very low | 144 Ų | 144 | 120.3 Ų | 120.3 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 141.3 | -177.8 | -42.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1341 | G | 45.3 | Very low | 40.8 | Very low | 60 Ų | 60 | 117.4 Ų | 117.4 | 62% | 0.619 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -80 | 160.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1342 | P | 38.6 | Very low | 40.6 | Very low | 125 Ų | 125 | 118 Ų | 118 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 159 | 176.7 | 34.3 | -35.3 | 0 | 0 | 0 | 113 | ||
| 1343 | P | 37.4 | Very low | 40.4 | Very low | 130 Ų | 130 | 118 Ų | 118 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 147.3 | -169 | -12.8 | 30.5 | 0 | 0 | 0 | 114.9 | ||
| 1344 | G | 39.4 | Very low | 40 | Very low | 71 Ų | 71 | 117.1 Ų | 117.1 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 144.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1345 | P | 38.8 | Very low | 39.9 | Very low | 124 Ų | 124 | 119 Ų | 119 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 156.8 | 178.9 | 32.5 | -35 | 0 | 0 | 0 | 113.3 | ||
| 1346 | P | 35.9 | Very low | 40.1 | Very low | 128 Ų | 128 | 118.7 Ų | 118.7 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -81 | 142.3 | -164.1 | -14.3 | 31.6 | 0 | 0 | 0 | 115.2 | ||
| 1347 | G | 42.7 | Very low | 40 | Very low | 76 Ų | 76 | 120.3 Ų | 120.3 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 153.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1348 | L | 38.1 | Very low | 39.9 | Very low | 149 Ų | 149 | 123 Ų | 123 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | -96.2 | 111.2 | 179.2 | -76.1 | 176.1 | 0 | 0 | 0 | 112.8 | ||||
| 1349 | Q | 39.5 | Very low | 39.8 | Very low | 166 Ų | 166 | 122.3 Ų | 122.3 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -47 | 132.6 | 176 | -170.6 | 177.6 | 49.8 | 0 | 0 | 114.3 | K608 | K608-Q1349 PolarHBondContact NZ-O 2.84Š| ||
| 1350 | G | 45.5 | Very low | 39.8 | Very low | 59 Ų | 59 | 123.3 Ų | 123.3 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | trans | -91.4 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1351 | P | 39.7 | Very low | 40 | Very low | 100 Ų | 100 | 123 Ų | 123 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | trans | -73.8 | 168.6 | 179.6 | -11.6 | 29.1 | 0 | 0 | 0 | 113.3 | Q611 | Q611-P1351 HydrophobicContact CB-CB 4.18Š| ||
| 1352 | R | 39.3 | Very low | 39.7 | Very low | 213 Ų | 213 | 123.4 Ų | 123.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -111.1 | 140.3 | -157.5 | 179.1 | 175.7 | 173.9 | 170.9 | -3.4 | 112.3 | Q611 | Q611-R1352 PolarHBondContact NE2-O 2.97Å; Q611-R1352 VanDerWaalsContact OE1-N 3.08Å; Q611-R1352 PolarHBondContact OE1-O 2.93Å | ||
| 1353 | G | 42.2 | Very low | 39.7 | Very low | 67 Ų | 67 | 123.8 Ų | 123.8 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | -91.5 | 159.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1354 | E | 36.5 | Very low | 39.8 | Very low | 189 Ų | 189 | 126.7 Ų | 126.7 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -112.6 | 108.8 | 163.2 | -62.2 | -172.2 | 140.6 | 0 | 0 | 106 | ||||
| 1355 | Q | 35.6 | Very low | 39.7 | Very low | 167 Ų | 167 | 126.5 Ų | 126.5 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | 75.8 | 115 | 82.4 | -175.9 | 171.4 | -18.1 | 0 | 0 | 112 | H1357 | Q1355-H1357 PolarHBondContact NE2-NE2 3.35Š| |||
| 1356 | G | 45.1 | Very low | 39.7 | Very low | 64 Ų | 64 | 130.7 Ų | 130.7 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | trans | -141.4 | 170.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1357 | H | 40.1 | Very low | 39.8 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | trans | -141.8 | 156.7 | 178.5 | -52.1 | -75.8 | 0 | 0 | 0 | 106.3 | Q1355 | Q1355-H1357 PolarHBondContact NE2-NE2 3.35Š| ||
| 1358 | Q | 36.8 | Very low | 39.3 | Very low | 190 Ų | 190 | 132.9 Ų | 132.9 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | cis | -159.6 | 145.7 | 24.7 | 173.3 | 175.3 | -11.4 | 0 | 0 | 110.2 | ||||
| 1359 | G | 38.1 | Very low | 39.1 | Very low | 52 Ų | 52 | 132.5 Ų | 132.5 | 54% | 0.536 | 77% | 0.774 | S | S | . | * | trans | -99.5 | -178 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1360 | D | 45.5 | Very low | 38.8 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | cis | -152.1 | 172.8 | 1.2 | -70.9 | -57.5 | 0 | 0 | 0 | 108.4 | ||||
| 1361 | P | 40 | Very low | 38 | Very low | 136 Ų | 136 | 134 Ų | 134 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | -122.2 | 150.4 | 114.2 | -6.6 | 26.4 | 0 | 0 | 0 | 114.9 | |||||
| 1362 | G | 38.6 | Very low | 37.5 | Very low | 70 Ų | 70 | 137.9 Ų | 137.9 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -76.6 | 174.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1363 | P | 39 | Very low | 37 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -85 | 145.7 | -162.3 | 33 | -36.7 | 0 | 0 | 0 | 114.9 | ||
| 1364 | M | 38.7 | Very low | 36.3 | Very low | 191 Ų | 191 | 138.1 Ų | 138.1 | 94% | 0.941 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 141.8 | 163.2 | -166.5 | 169.7 | 71.8 | 0 | 0 | 110.4 | ||
| 1365 | G | 38.8 | Very low | 36.1 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 152.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q1367 | G1365-Q1367 PolarHBondContact O-N 3.23Š|
| 1366 | K | 37.2 | Very low | 35.9 | Very low | 212 Ų | 212 | 133.8 Ų | 133.8 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 121.8 | 177.7 | -61 | 177.5 | -178.4 | 178.4 | 0 | 111 | ||
| 1367 | Q | 38.1 | Very low | 35.2 | Very low | 194 Ų | 194 | 137.5 Ų | 137.5 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 144.6 | 163.3 | -144.8 | 167.4 | 20.9 | 0 | 0 | 109.4 | G1365 | G1365-Q1367 PolarHBondContact O-N 3.23Š|
| 1368 | G | 33 | Very low | 34.8 | Very low | 55 Ų | 55 | 138 Ų | 138 | 57% | 0.567 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 162.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q1370 | G1368-Q1370 PolarHBondContact O-N 3.08Š|
| 1369 | P | 33.7 | Very low | 34.8 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 116.7 | -178.6 | 28.7 | -34.4 | 0 | 0 | 0 | 111.2 | ||
| 1370 | Q | 32.4 | Very low | 34.9 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -117.5 | 110.4 | 172.4 | -70.9 | -168.4 | -20.1 | 0 | 0 | 110.8 | G1368 | G1368-Q1370 PolarHBondContact O-N 3.08Š| ||
| 1371 | G | 30.6 | Very low | 34.2 | Very low | 66 Ų | 66 | 133.8 Ų | 133.8 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | trans | 76.2 | 96.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | V1373 | G1371-V1373 VanDerWaalsContact C-N 3.31Å; G1371-V1373 PolarHBondContact O-N 3.08Å | ||
| 1372 | Q | 27.3 | Very low | 34.2 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -67.7 | 90.8 | 151.9 | -73.6 | -174.9 | 0.1 | 0 | 0 | 109.2 | K1374 | Q1372-K1374 PolarHBondContact O-N 3.26Š| ||
| 1373 | V | 29.5 | Very low | 34.1 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -84.2 | 88.7 | 167.1 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | G1371 I1375 | G1371-V1373 VanDerWaalsContact C-N 3.31Å; G1371-V1373 PolarHBondContact O-N 3.08Å; V1373-I1375 HydrophobicContact CG1-CG1 4.42Å; V1373-I1375 PolarHBondContact O-N 3.05Å; V1373-I1375 VanDerWaalsContact O-N 3.07Å | ||
| 1374 | K | 28 | Very low | 33.8 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 70% | 0.7 | 78% | 0.777 | S | S | * | * | trans | -62.3 | 106.8 | 167 | -64.4 | 179.9 | 179.5 | 179.4 | 0 | 108.4 | Q1372 T1376 | Q1372-K1374 PolarHBondContact O-N 3.26Å; K1374-T1376 HydrophobicContact CB-CG2 4.17Å; K1374-T1376 PolarHBondContact O-N 3.22Å | ||
| 1375 | I | 31.7 | Very low | 33.7 | Very low | 158 Ų | 158 | 146 Ų | 146 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -81.3 | 78.9 | 161.6 | -56.2 | -177.5 | 0 | 0 | 0 | 106.7 | V1373 | V1373-I1375 HydrophobicContact CG1-CG1 4.42Å; V1373-I1375 PolarHBondContact O-N 3.05Å; V1373-I1375 VanDerWaalsContact O-N 3.07Å | ||
| 1376 | T | 30.7 | Very low | 33.5 | Very low | 108 Ų | 108 | 152.6 Ų | 152.6 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | trans | -66.8 | 128.8 | 171.4 | 42.6 | 0 | 0 | 0 | 0 | 109.8 | K1374 | K1374-T1376 HydrophobicContact CB-CG2 4.17Å; K1374-T1376 PolarHBondContact O-N 3.22Å | ||
| 1377 | N | 32 | Very low | 33.4 | Very low | 141 Ų | 141 | 152.1 Ų | 152.1 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -57.6 | 148.6 | 161.9 | -70.5 | -40.2 | 0 | 0 | 0 | 110.7 | ||||
| 1378 | N | 31.2 | Very low | 33.3 | Very low | 172 Ų | 172 | 154.7 Ų | 154.7 | 92% | 0.92 | 78% | 0.782 | S | S | * | * | trans | 138.7 | 136.5 | 164 | -73.8 | -10.1 | 0 | 0 | 0 | 110 | ||||
| 1379 | G | 37.1 | Very low | 33.6 | Very low | 59 Ų | 59 | 157.2 Ų | 157.2 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | cis | -164.8 | 143.1 | -1.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1380 | E | 39.1 | Very low | 33.6 | Very low | 133 Ų | 133 | 155.6 Ų | 155.6 | 62% | 0.621 | 79% | 0.789 | S | S | * | * | trans | -22 | 144.1 | 169.8 | -53.2 | -176.8 | 120.3 | 0 | 0 | 120 | R1383 | E1380-R1383 VanDerWaalsContact OE1-CD 3.27Å; E1380-R1383 WeakPolarHBondContact OE1-CD 3.22Å; E1380-R1383 IonicContact OE1-NH1 3.89Å | ||
| 1381 | N | 31.1 | Very low | 34 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 63% | 0.626 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -158.6 | 74.4 | 137.3 | -125.3 | -44.1 | 0 | 0 | 0 | 113.5 | Q986 | Q986-N1381 PolarHBondContact NE2-ND2 2.96Š|
| 1382 | L | 40.4 | Very low | 34.3 | Very low | 177 Ų | 177 | 154.7 Ų | 154.7 | 93% | 0.927 | 79% | 0.785 | S | S | * | * | trans | -176.8 | 58 | 156.7 | -107.8 | 168.5 | 0 | 0 | 0 | 111.8 | ||||
| 1383 | R | 37.2 | Very low | 35.1 | Very low | 171 Ų | 171 | 154.7 Ų | 154.7 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | trans | -129.1 | 66.5 | -177.1 | -158.6 | -180 | -171 | -179 | 3.2 | 113.9 | E1380 | E1380-R1383 VanDerWaalsContact OE1-CD 3.27Å; E1380-R1383 WeakPolarHBondContact OE1-CD 3.22Å; E1380-R1383 IonicContact OE1-NH1 3.89Å | ||
| 1384 | M | 32.5 | Very low | 35.9 | Very low | 187 Ų | 187 | 153.2 Ų | 153.2 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -135.4 | 55.7 | 173.7 | -104.5 | -61.8 | -115.2 | 0 | 0 | 114.5 | ||||
| 1385 | R | 35.9 | Very low | 36.9 | Very low | 251 Ų | 251 | 154.4 Ų | 154.4 | 95% | 0.947 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -156.4 | 22 | 151.2 | -117.3 | 176.4 | -164.6 | -165.5 | 4.7 | 115.4 | ||
| 1386 | Y | 35.7 | Very low | 38.3 | Very low | 205 Ų | 205 | 150.8 Ų | 150.8 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -109.5 | 90.8 | 176.3 | -105.9 | -87.7 | 0 | 0 | 0 | 110.9 | ||||
| 1387 | K | 34 | Very low | 40.4 | Very low | 202 Ų | 202 | 148.6 Ų | 148.6 | 88% | 0.878 | 75% | 0.75 | S | S | * | * | trans | -154.5 | 41.9 | 169.4 | -124.2 | 173.4 | -173.7 | 179.7 | 0 | 116.4 | ||||
| 1388 | R | 35.7 | Very low | 42.3 | Very low | 249 Ų | 249 | 147.4 Ų | 147.4 | 94% | 0.94 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -143.6 | 114.6 | 149.2 | -77.4 | -174.4 | 177.1 | 175.3 | -1.2 | 105.4 | ||
| 1389 | S | 39.7 | Very low | 44.5 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | cis | -131.2 | 133.8 | 10.5 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | A1391 | S1389-A1391 VanDerWaalsContact C-N 3.32Å; S1389-A1391 PolarHBondContact O-N 2.91Å; S1389-A1391 VanDerWaalsContact O-N 3.12Å | ||
| 1390 | A | 34.1 | Very low | 46.3 | Very low | 106 Ų | 106 | 146 Ų | 146 | 88% | 0.876 | 72% | 0.715 | S | S | * | * | trans | -85.9 | 70.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1391 | A | 39.9 | Very low | 48.2 | Very low | 82 Ų | 82 | 143 Ų | 143 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | trans | -86.4 | 108.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | S1389 Q1393 | S1389-A1391 VanDerWaalsContact C-N 3.32Å; S1389-A1391 PolarHBondContact O-N 2.91Å; S1389-A1391 VanDerWaalsContact O-N 3.12Å; A1391-Q1393 PolarHBondContact O-N 3.26Å | ||
| 1392 | I | 38.1 | Very low | 50.6 | Low | 157 Ų | 157 | 139.9 Ų | 139.9 | 81% | 0.805 | 69% | 0.686 | S | S | * | * | trans | 6.7 | 93 | 169.2 | -49.9 | 175.8 | 0 | 0 | 0 | 114.3 | T1394 | I1392-T1394 PolarHBondContact O-N 3.04Š| ||
| 1393 | Q | 43.8 | Very low | 52.7 | Low | 181 Ų | 181 | 137.9 Ų | 137.9 | 85% | 0.846 | 67% | 0.672 | S | S | * | * | trans | -74.4 | 104 | 154.8 | -72 | -172.2 | -54.1 | 0 | 0 | 107 | A1391 | A1391-Q1393 PolarHBondContact O-N 3.26Š| ||
| 1394 | T | 46.1 | Very low | 54.9 | Low | 93 Ų | 93 | 133.5 Ų | 133.5 | 57% | 0.571 | 66% | 0.661 | S | S | * | * | trans | -52.8 | 142.4 | 152.7 | 43.1 | 0 | 0 | 0 | 0 | 108.4 | I1392 E1396 | I1392-T1394 PolarHBondContact O-N 3.04Å; T1394-E1396 PolarHBondContact O-N 3.32Å | ||
| 1395 | E | 48.6 | Very low | 57.5 | Low | 185 Ų | 185 | 128.6 Ų | 128.6 | 86% | 0.864 | 64% | 0.638 | S | S | * | * | trans | -65.5 | 91.2 | 167 | -71.9 | -166.4 | 128 | 0 | 0 | 108.2 | T1397 | E1395-T1397 PolarHBondContact O-N 3.38Å; E1395-T1397 VanDerWaalsContact O-N 3.09Å | ||
| 1396 | E | 61.3 | Low | 60 | Low | 82 Ų | 82 | 121 Ų | 121 | 38% | 0.383 | 61% | 0.612 | S | S | . | * | trans | -59 | 117.1 | 175.1 | -70 | -171.5 | -171.1 | 0 | 0 | 107.9 | T1394 Q1400 I1401 N1404 | T1394-E1396 PolarHBondContact O-N 3.32Å; E1396-Q1400 HydrophobicContact CB-CB 4.08Å; E1396-I1401 HydrophobicContact CB-CD1 4.24Å; E1396-I1401 HydrophobicContact CB-CG1 3.5Å; E1396-I1401 VanDerWaalsContact CB-CG1 3.5Å; E1396-I1401 WeakPolarHBondContact O-CD1 3.32Å; E1396-N1404 PolarHBondContact OE1-ND2 3.41Å; E1396-N1404 PolarHBondContact OE2-ND2 3.05Å | ||
| 1397 | T | 74.5 | Confident | 62.6 | Low | 62 Ų | 62 | 113.2 Ų | 113.2 | 38% | 0.38 | 59% | 0.594 | S | S | . | * | trans | -60.9 | 160.1 | 176.6 | 83.2 | 0 | 0 | 0 | 0 | 109.4 | E1395 E1399 Q1400 I1401 | E1395-T1397 PolarHBondContact O-N 3.38Å; E1395-T1397 VanDerWaalsContact O-N 3.09Å; T1397-E1399 WeakPolarHBondContact CB-OE2 3.25Å; T1397-E1399 PolarHBondContact O-N 2.81Å; T1397-E1399 PolarHBondContact OG1-N 3.29Å; T1397-E1399 PolarHBondContact OG1-OE2 3.34Å; T1397-Q1400 WeakPolarHBondContact O-CA 3.39Å; T1397-Q1400 PolarHBondContact O-N 3.19Å; T1397-Q1400 PolarHBondContact OG1-N 2.84Å; T1397-I1401 WeakPolarHBondContact O-CG1 3.36Å; T1397-I1401 PolarHBondContact O-N 2.8Å | ||
| 1398 | L | 73.4 | Confident | 65.2 | Low | 117 Ų | 117 | 113.1 Ų | 113.1 | 61% | 0.613 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -57.1 | -29.3 | 179.9 | -175.2 | 58.3 | 0 | 0 | 0 | 111.6 | N1402 | L1398-N1402 VanDerWaalsContact O-CB 3.31Å; L1398-N1402 WeakPolarHBondContact O-CB 3.33Å; L1398-N1402 VanDerWaalsContact O-CG 3.27Å; L1398-N1402 PolarHBondContact O-N 3.24Å; L1398-N1402 PolarHBondContact O-ND2 3.41Å |
| 1399 | E | 77 | Confident | 67.8 | Low | 118 Ų | 118 | 104.2 Ų | 104.2 | 55% | 0.551 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.9 | -46.1 | 172.6 | -56.8 | 65.4 | -138.9 | 0 | 0 | 111.7 | T1397 N1402 Q1403 | T1397-E1399 WeakPolarHBondContact CB-OE2 3.25Å; T1397-E1399 PolarHBondContact O-N 2.81Å; T1397-E1399 PolarHBondContact OG1-N 3.29Å; T1397-E1399 PolarHBondContact OG1-OE2 3.34Å; E1399-N1402 PolarHBondContact O-N 2.83Å; E1399-Q1403 WeakPolarHBondContact O-CB 3.31Å; E1399-Q1403 VanDerWaalsContact O-CG 3.29Å; E1399-Q1403 WeakPolarHBondContact O-CG 3.46Å; E1399-Q1403 PolarHBondContact O-N 3.05Å |
| 1400 | Q | 74 | Confident | 70.1 | Confident | 84 Ų | 84 | 102.2 Ų | 102.2 | 39% | 0.393 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 176.9 | -68.4 | 176.8 | -13.6 | 0 | 0 | 111.6 | E1396 T1397 N1402 Q1403 N1404 | E1396-Q1400 HydrophobicContact CB-CB 4.08Å; T1397-Q1400 WeakPolarHBondContact O-CA 3.39Å; T1397-Q1400 PolarHBondContact O-N 3.19Å; T1397-Q1400 PolarHBondContact OG1-N 2.84Å; Q1400-N1402 VanDerWaalsContact C-N 3.31Å; Q1400-N1402 PolarHBondContact O-N 2.9Å; Q1400-Q1403 PolarHBondContact O-N 3.44Å; Q1400-N1404 WeakPolarHBondContact O-CB 3.41Å; Q1400-N1404 PolarHBondContact O-N 3.45Å |
| 1401 | I | 79.3 | Confident | 72.7 | Confident | 69 Ų | 69 | 99.9 Ų | 99.9 | 35% | 0.354 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.7 | -46 | 173.3 | -64 | 176.4 | 0 | 0 | 0 | 110.1 | E1396 T1397 N1404 I1405 | E1396-I1401 HydrophobicContact CB-CD1 4.24Å; E1396-I1401 HydrophobicContact CB-CG1 3.5Å; E1396-I1401 VanDerWaalsContact CB-CG1 3.5Å; E1396-I1401 WeakPolarHBondContact O-CD1 3.32Å; T1397-I1401 WeakPolarHBondContact O-CG1 3.36Å; T1397-I1401 PolarHBondContact O-N 2.8Å; I1401-N1404 PolarHBondContact O-N 3.35Å; I1401-I1405 HydrophobicContact CG2-CD1 3.79Å; I1401-I1405 HydrophobicContact CG2-CG1 4.49Å; I1401-I1405 WeakPolarHBondContact O-CB 3.37Å; I1401-I1405 VanDerWaalsContact O-CG1 3.25Å; I1401-I1405 WeakPolarHBondContact O-CG1 3.44Å; I1401-I1405 PolarHBondContact O-N 2.99Å |
| 1402 | N | 81.9 | Confident | 75.1 | Confident | 52 Ų | 52 | 101 Ų | 101 | 28% | 0.278 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 176.9 | -80.5 | -55.9 | 0 | 0 | 0 | 112.1 | L1398 E1399 Q1400 I1405 F1406 | L1398-N1402 VanDerWaalsContact O-CB 3.31Å; L1398-N1402 WeakPolarHBondContact O-CB 3.33Å; L1398-N1402 VanDerWaalsContact O-CG 3.27Å; L1398-N1402 PolarHBondContact O-N 3.24Å; L1398-N1402 PolarHBondContact O-ND2 3.41Å; E1399-N1402 PolarHBondContact O-N 2.83Å; Q1400-N1402 VanDerWaalsContact C-N 3.31Å; Q1400-N1402 PolarHBondContact O-N 2.9Å; N1402-I1405 PolarHBondContact O-N 3.19Å; N1402-F1406 HydrophobicContact CB-CD2 4.39Å; N1402-F1406 HydrophobicContact CB-CE2 4.36Å; N1402-F1406 WeakPolarHBondContact O-CB 3.08Å; N1402-F1406 WeakPolarHBondContact O-CD2 3.21Å; N1402-F1406 PolarHBondContact O-N 2.83Å |
| 1403 | Q | 85.2 | Confident | 77.6 | Confident | 134 Ų | 134 | 95.4 Ų | 95.4 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.6 | -44 | 175.6 | -74.7 | 174.1 | 13.7 | 0 | 0 | 111.6 | E1399 Q1400 I1405 F1406 G1407 | E1399-Q1403 WeakPolarHBondContact O-CB 3.31Å; E1399-Q1403 VanDerWaalsContact O-CG 3.29Å; E1399-Q1403 WeakPolarHBondContact O-CG 3.46Å; E1399-Q1403 PolarHBondContact O-N 3.05Å; Q1400-Q1403 PolarHBondContact O-N 3.44Å; Q1403-I1405 PolarHBondContact O-N 2.88Å; Q1403-F1406 PolarHBondContact O-N 3.07Å; Q1403-G1407 PolarHBondContact O-N 3.17Å |
| 1404 | N | 83.5 | Confident | 79.7 | Confident | 79 Ų | 79 | 92.7 Ų | 92.7 | 42% | 0.422 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 174.8 | -79.5 | -23.8 | 0 | 0 | 0 | 112.1 | E1396 Q1400 I1401 R1408 | E1396-N1404 PolarHBondContact OE1-ND2 3.41Å; E1396-N1404 PolarHBondContact OE2-ND2 3.05Å; Q1400-N1404 WeakPolarHBondContact O-CB 3.41Å; Q1400-N1404 PolarHBondContact O-N 3.45Å; I1401-N1404 PolarHBondContact O-N 3.35Å; N1404-R1408 WeakPolarHBondContact O-CB 3.39Å; N1404-R1408 VanDerWaalsContact O-CG 3.23Å; N1404-R1408 WeakPolarHBondContact O-CG 3.41Å; N1404-R1408 PolarHBondContact O-N 3.2Å |
| 1405 | I | 85.9 | Confident | 81.5 | Confident | 85 Ų | 85 | 94.7 Ų | 94.7 | 44% | 0.436 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65 | -50 | 173.9 | -70.8 | 167.6 | 0 | 0 | 0 | 110.8 | I1401 N1402 Q1403 G1407 R1408 V1409 | I1401-I1405 HydrophobicContact CG2-CD1 3.79Å; I1401-I1405 HydrophobicContact CG2-CG1 4.49Å; I1401-I1405 WeakPolarHBondContact O-CB 3.37Å; I1401-I1405 VanDerWaalsContact O-CG1 3.25Å; I1401-I1405 WeakPolarHBondContact O-CG1 3.44Å; I1401-I1405 PolarHBondContact O-N 2.99Å; N1402-I1405 PolarHBondContact O-N 3.19Å; Q1403-I1405 PolarHBondContact O-N 2.88Å; I1405-G1407 PolarHBondContact O-N 2.9Å; I1405-R1408 PolarHBondContact O-N 2.83Å; I1405-V1409 HydrophobicContact CG2-CG2 4.3Å; I1405-V1409 WeakPolarHBondContact O-CB 3.38Å; I1405-V1409 VanDerWaalsContact O-CG2 3.29Å; I1405-V1409 WeakPolarHBondContact O-CG2 3.44Å; I1405-V1409 PolarHBondContact O-N 3.36Å |
| 1406 | F | 88.8 | Confident | 83.3 | Confident | 91 Ų | 91 | 88.6 Ų | 88.6 | 40% | 0.399 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 179.5 | -77.5 | -60.4 | 0 | 0 | 0 | 112.1 | M344 F347 N1402 Q1403 V1409 D1410 | M344-F1406 HydrophobicContact CE-CE1 4.44Å; M344-F1406 HydrophobicContact CE-CE2 4.23Å; M344-F1406 HydrophobicContact CE-CZ 3.94Å; F347-F1406 HydrophobicContact CE1-CE1 4.46Å; N1402-F1406 HydrophobicContact CB-CD2 4.39Å; N1402-F1406 HydrophobicContact CB-CE2 4.36Å; N1402-F1406 WeakPolarHBondContact O-CB 3.08Å; N1402-F1406 WeakPolarHBondContact O-CD2 3.21Å; N1402-F1406 PolarHBondContact O-N 2.83Å; Q1403-F1406 PolarHBondContact O-N 3.07Å; F1406-V1409 PolarHBondContact O-N 3.44Å; F1406-D1410 WeakPolarHBondContact O-CB 3.3Å; F1406-D1410 PolarHBondContact O-N 3.01Å |
| 1407 | G | 89.7 | Confident | 84.5 | Confident | 42 Ų | 42 | 90.5 Ų | 90.5 | 43% | 0.433 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1403 I1405 A1411 | Q1403-G1407 PolarHBondContact O-N 3.17Å; I1405-G1407 PolarHBondContact O-N 2.9Å; G1407-A1411 VanDerWaalsContact O-CB 3.27Å; G1407-A1411 WeakPolarHBondContact O-CB 3.32Å; G1407-A1411 PolarHBondContact O-N 2.93Å |
| 1408 | R | 89.8 | Confident | 84.9 | Confident | 200 Ų | 200 | 89.6 Ų | 89.6 | 76% | 0.755 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.7 | -38.2 | 174.8 | -72.6 | 174.9 | 69.4 | 179.3 | 2.4 | 112.7 | N1404 I1405 L1412 | N1404-R1408 WeakPolarHBondContact O-CB 3.39Å; N1404-R1408 VanDerWaalsContact O-CG 3.23Å; N1404-R1408 WeakPolarHBondContact O-CG 3.41Å; N1404-R1408 PolarHBondContact O-N 3.2Å; I1405-R1408 PolarHBondContact O-N 2.83Å; R1408-L1412 WeakPolarHBondContact O-CB 3.08Å; R1408-L1412 PolarHBondContact O-N 3.48Å |
| 1409 | V | 89.5 | Confident | 85.2 | Confident | 62 Ų | 62 | 93.2 Ų | 93.2 | 38% | 0.376 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69 | -40.4 | 176.8 | 169 | 0 | 0 | 0 | 0 | 111.3 | F347 I1405 F1406 L1412 N1413 | F347-V1409 HydrophobicContact CZ-CG1 4.3Å; I1405-V1409 HydrophobicContact CG2-CG2 4.3Å; I1405-V1409 WeakPolarHBondContact O-CB 3.38Å; I1405-V1409 VanDerWaalsContact O-CG2 3.29Å; I1405-V1409 WeakPolarHBondContact O-CG2 3.44Å; I1405-V1409 PolarHBondContact O-N 3.36Å; F1406-V1409 PolarHBondContact O-N 3.44Å; V1409-L1412 PolarHBondContact O-N 3.39Å; V1409-N1413 VanDerWaalsContact O-CB 3.25Å; V1409-N1413 WeakPolarHBondContact O-CB 3.42Å; V1409-N1413 PolarHBondContact O-N 2.88Å |
| 1410 | D | 88.5 | Confident | 85.5 | Confident | 66 Ų | 66 | 95.5 Ų | 95.5 | 35% | 0.353 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.1 | -41.7 | 174.8 | 178.7 | 55.1 | 0 | 0 | 0 | 112 | F1406 L1412 N1413 K1414 | F1406-D1410 WeakPolarHBondContact O-CB 3.3Å; F1406-D1410 PolarHBondContact O-N 3.01Å; D1410-L1412 VanDerWaalsContact C-N 3.31Å; D1410-L1412 PolarHBondContact O-N 3.23Å; D1410-N1413 PolarHBondContact O-N 3.42Å; D1410-K1414 WeakPolarHBondContact O-CB 3.47Å; D1410-K1414 WeakPolarHBondContact O-CG 3.34Å; D1410-K1414 PolarHBondContact O-N 2.98Å; D1410-K1414 IonicContact OD1-NZ 3.72Å; D1410-K1414 WeakPolarHBondContact OD2-CE 3.36Å; D1410-K1414 IonicContact OD2-NZ 2.81Å; D1410-K1414 PolarHBondContact OD2-NZ 2.83Å |
| 1411 | A | 89.4 | Confident | 86 | Confident | 56 Ų | 56 | 98.2 Ų | 98.2 | 46% | 0.463 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.5 | -40.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1407 K1415 | G1407-A1411 VanDerWaalsContact O-CB 3.27Å; G1407-A1411 WeakPolarHBondContact O-CB 3.32Å; G1407-A1411 PolarHBondContact O-N 2.93Å; A1411-K1415 WeakPolarHBondContact O-CB 3.16Å; A1411-K1415 PolarHBondContact O-N 3.24Å |
| 1412 | L | 89.8 | Confident | 86.4 | Confident | 107 Ų | 107 | 95.8 Ų | 95.8 | 56% | 0.56 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.5 | -45.4 | 173.7 | -179 | 60.7 | 0 | 0 | 0 | 111.8 | R1408 V1409 D1410 K1414 K1415 V1416 | R1408-L1412 WeakPolarHBondContact O-CB 3.08Å; R1408-L1412 PolarHBondContact O-N 3.48Å; V1409-L1412 PolarHBondContact O-N 3.39Å; D1410-L1412 VanDerWaalsContact C-N 3.31Å; D1410-L1412 PolarHBondContact O-N 3.23Å; L1412-K1414 VanDerWaalsContact C-N 3.33Å; L1412-K1414 PolarHBondContact O-N 2.73Å; L1412-K1415 PolarHBondContact O-N 3.34Å; L1412-V1416 HydrophobicContact CD1-CG2 4.16Å; L1412-V1416 HydrophobicContact CG-CG2 4.4Å; L1412-V1416 WeakPolarHBondContact O-CB 3.2Å; L1412-V1416 WeakPolarHBondContact O-CG2 3.48Å; L1412-V1416 PolarHBondContact O-N 2.9Å |
| 1413 | N | 90 | Very high | 86.7 | Confident | 38 Ų | 38 | 96 Ų | 96 | 20% | 0.203 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 175.9 | 178 | 31.8 | 0 | 0 | 0 | 111.3 | V1409 D1410 V1416 R1417 | V1409-N1413 VanDerWaalsContact O-CB 3.25Å; V1409-N1413 WeakPolarHBondContact O-CB 3.42Å; V1409-N1413 PolarHBondContact O-N 2.88Å; D1410-N1413 PolarHBondContact O-N 3.42Å; N1413-V1416 PolarHBondContact O-N 2.91Å; N1413-R1417 WeakPolarHBondContact O-CB 3.31Å; N1413-R1417 WeakPolarHBondContact O-CG 3.25Å; N1413-R1417 PolarHBondContact O-N 3.41Å; N1413-R1417 PolarHBondContact OD1-NE 2.88Å |
| 1414 | K | 87 | Confident | 87 | Confident | 124 Ų | 124 | 89.6 Ų | 89.6 | 54% | 0.539 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 172.5 | -75.9 | 165.4 | 173.4 | 166.5 | 0 | 111.8 | D1410 L1412 R1417 S1418 | D1410-K1414 WeakPolarHBondContact O-CB 3.47Å; D1410-K1414 WeakPolarHBondContact O-CG 3.34Å; D1410-K1414 PolarHBondContact O-N 2.98Å; D1410-K1414 IonicContact OD1-NZ 3.72Å; D1410-K1414 WeakPolarHBondContact OD2-CE 3.36Å; D1410-K1414 IonicContact OD2-NZ 2.81Å; D1410-K1414 PolarHBondContact OD2-NZ 2.83Å; L1412-K1414 VanDerWaalsContact C-N 3.33Å; L1412-K1414 PolarHBondContact O-N 2.73Å; K1414-R1417 PolarHBondContact O-N 3.21Å; K1414-S1418 PolarHBondContact O-N 3.05Å |
| 1415 | K | 84.8 | Confident | 87.4 | Confident | 136 Ų | 136 | 91.8 Ų | 91.8 | 59% | 0.591 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.9 | -33.7 | 177.7 | -170.3 | 177.8 | -179.2 | -177.5 | 0 | 113.5 | A1411 L1412 S1418 R1419 | A1411-K1415 WeakPolarHBondContact O-CB 3.16Å; A1411-K1415 PolarHBondContact O-N 3.24Å; L1412-K1415 PolarHBondContact O-N 3.34Å; K1415-S1418 PolarHBondContact O-OG 2.96Å; K1415-R1419 PolarHBondContact O-N 2.57Å |
| 1416 | V | 87 | Confident | 87.6 | Confident | 56 Ų | 56 | 89.4 Ų | 89.4 | 34% | 0.339 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -73.1 | -39.9 | 174.1 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | L1412 N1413 R1420 | L1412-V1416 HydrophobicContact CD1-CG2 4.16Å; L1412-V1416 HydrophobicContact CG-CG2 4.4Å; L1412-V1416 WeakPolarHBondContact O-CB 3.2Å; L1412-V1416 WeakPolarHBondContact O-CG2 3.48Å; L1412-V1416 PolarHBondContact O-N 2.9Å; N1413-V1416 PolarHBondContact O-N 2.91Å; V1416-R1420 WeakPolarHBondContact O-CB 3.33Å; V1416-R1420 WeakPolarHBondContact O-CG 3.32Å; V1416-R1420 PolarHBondContact O-N 3.5Å |
| 1417 | R | 85.6 | Confident | 87.7 | Confident | 122 Ų | 122 | 86.8 Ų | 86.8 | 46% | 0.46 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 174.5 | -75.6 | 174.1 | -173.9 | -144.9 | -3.1 | 111.8 | N1413 K1414 R1419 R1420 Y1421 | N1413-R1417 WeakPolarHBondContact O-CB 3.31Å; N1413-R1417 WeakPolarHBondContact O-CG 3.25Å; N1413-R1417 PolarHBondContact O-N 3.41Å; N1413-R1417 PolarHBondContact OD1-NE 2.88Å; K1414-R1417 PolarHBondContact O-N 3.21Å; R1417-R1419 VanDerWaalsContact C-N 3.3Å; R1417-R1419 PolarHBondContact O-N 3.39Å; R1417-R1420 PolarHBondContact O-N 3.31Å; R1417-Y1421 WeakPolarHBondContact O-CB 3.46Å; R1417-Y1421 PolarHBondContact O-N 3.22Å |
| 1418 | S | 82.4 | Confident | 87.6 | Confident | 43 Ų | 43 | 88 Ų | 88 | 30% | 0.301 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | -179.7 | 81.8 | 0 | 0 | 0 | 0 | 112.1 | K1414 K1415 Y1421 A1422 N1429 | K1414-S1418 PolarHBondContact O-N 3.05Å; K1415-S1418 PolarHBondContact O-OG 2.96Å; S1418-Y1421 CarbonylContact O-C 3.58Å; S1418-A1422 VanDerWaalsContact O-CA 3.32Å; S1418-A1422 WeakPolarHBondContact O-CA 3.49Å; S1418-A1422 PolarHBondContact O-N 3.02Å; S1418-N1429 WeakPolarHBondContact CB-OD1 3.35Å; S1418-N1429 PolarHBondContact O-ND2 3.25Å; S1418-N1429 PolarHBondContact O-OD1 2.88Å; S1418-N1429 PolarHBondContact OG-OD1 3.26Å |
| 1419 | R | 80.5 | Confident | 87.6 | Confident | 193 Ų | 193 | 79.7 Ų | 79.7 | 73% | 0.728 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -72.6 | -30.9 | 173.5 | -77.9 | -171.7 | 164.9 | -158.2 | -8.1 | 114.6 | K1415 R1417 | K1415-R1419 PolarHBondContact O-N 2.57Å; R1417-R1419 VanDerWaalsContact C-N 3.3Å; R1417-R1419 PolarHBondContact O-N 3.39Å |
| 1420 | R | 83.5 | Confident | 87.8 | Confident | 166 Ų | 166 | 77.7 Ų | 77.7 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -80.7 | -27.2 | 175.6 | -78 | -175.6 | 176.9 | -178 | 0.4 | 113.7 | V1416 R1417 | V1416-R1420 WeakPolarHBondContact O-CB 3.33Å; V1416-R1420 WeakPolarHBondContact O-CG 3.32Å; V1416-R1420 PolarHBondContact O-N 3.5Å; R1417-R1420 PolarHBondContact O-N 3.31Å |
| 1421 | Y | 85.1 | Confident | 88.1 | Confident | 142 Ų | 142 | 74.6 Ų | 74.6 | 56% | 0.557 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -132.6 | 66.8 | -173.2 | -60.8 | -64.5 | 0 | 0 | 0 | 108.1 | R1417 S1418 T1423 | R1417-Y1421 WeakPolarHBondContact O-CB 3.46Å; R1417-Y1421 PolarHBondContact O-N 3.22Å; S1418-Y1421 CarbonylContact O-C 3.58Å; Y1421-T1423 PolarHBondContact O-N 3.29Å |
| 1422 | A | 86.9 | Confident | 88.2 | Confident | 17 Ų | 17 | 76.6 Ų | 76.6 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | trans | -78.1 | 118.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1418 N1429 P1430 | S1418-A1422 VanDerWaalsContact O-CA 3.32Å; S1418-A1422 WeakPolarHBondContact O-CA 3.49Å; S1418-A1422 PolarHBondContact O-N 3.02Å; A1422-N1429 WeakPolarHBondContact CA-ND2 3.42Å; A1422-N1429 WeakPolarHBondContact CB-ND2 3.5Å; A1422-P1430 WeakPolarHBondContact CB-O 3.3Å | ||
| 1423 | T | 88.4 | Confident | 88.3 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 34% | 0.344 | 33% | 0.331 | S | S | . | . | trans | -84.4 | -7.5 | -171.1 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | Y1421 L1425 T1440 Y1449 | Y1421-T1423 PolarHBondContact O-N 3.29Å; T1423-L1425 PolarHBondContact O-N 2.83Å; T1423-L1425 VanDerWaalsContact O-N 3.11Å; T1423-T1440 HydrophobicContact CG2-CG2 4.19Å; T1423-Y1449 WeakPolarHBondContact O-CD1 3.45Å | ||
| 1424 | G | 91.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 68.2 | -1.3 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1426 W1450 | G1424-S1426 PolarHBondContact O-N 2.91Å; G1424-S1426 VanDerWaalsContact O-N 3.12Å; G1424-W1450 WeakPolarHBondContact CA-O 3.43Å; G1424-W1450 PolarHBondContact O-N 3.08Å |
| 1425 | L | 91.6 | Very high | 88.8 | Confident | 125 Ų | 125 | 68.4 Ų | 68.4 | 65% | 0.654 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -75.5 | 2.8 | -173.6 | -65 | 174.3 | 0 | 0 | 0 | 114.5 | T1423 Y1449 | T1423-L1425 PolarHBondContact O-N 2.83Å; T1423-L1425 VanDerWaalsContact O-N 3.11Å; L1425-Y1449 HydrophobicContact CD2-CD1 4.05Å; L1425-Y1449 HydrophobicContact CD2-CE1 3.59Å; L1425-Y1449 HydrophobicContact CG-CE1 4.29Å |
| 1426 | S | 90.5 | Very high | 89.1 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -160.7 | 149.8 | 178.2 | 66.7 | 0 | 0 | 0 | 0 | 112 | G1424 Q1428 N1429 | G1424-S1426 PolarHBondContact O-N 2.91Å; G1424-S1426 VanDerWaalsContact O-N 3.12Å; S1426-Q1428 PolarHBondContact O-N 3.47Å; S1426-N1429 CarbonylContact O-C 3.6Å; S1426-N1429 PolarHBondContact O-N 3.26Å; S1426-N1429 PolarHBondContact OG-N 3Å |
| 1427 | P | 90 | Very high | 89.5 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 23% | 0.234 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -17.9 | 175.1 | 27.5 | -31.9 | 0 | 0 | 0 | 112.4 | N1429 W1450 N1458 | P1427-N1429 VanDerWaalsContact C-N 3.25Å; P1427-N1429 PolarHBondContact O-N 2.83Å; P1427-W1450 HydrophobicContact CB-CD2 3.71Å; P1427-W1450 HydrophobicContact CB-CE3 3.74Å; P1427-W1450 HydrophobicContact CB-CG 4.23Å; P1427-W1450 HydrophobicContact CB-CH2 4.24Å; P1427-W1450 HydrophobicContact CB-CZ2 4.25Å; P1427-W1450 HydrophobicContact CB-CZ3 4.01Å; P1427-W1450 HydrophobicContact CG-CD2 4.25Å; P1427-W1450 HydrophobicContact CG-CH2 4.47Å; P1427-W1450 HydrophobicContact CG-CZ2 4.14Å; P1427-N1458 PolarHBondContact O-ND2 3.07Å |
| 1428 | Q | 88.2 | Confident | 89.8 | Confident | 67 Ų | 67 | 58.7 Ų | 58.7 | 31% | 0.313 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -8.3 | 171.9 | -69.2 | 79.4 | 23.2 | 0 | 0 | 113.3 | K49 E53 S1426 | K49-Q1428 VanDerWaalsContact NZ-CD 3.33Å; K49-Q1428 VanDerWaalsContact NZ-NE2 3.12Å; E53-Q1428 PolarHBondContact OE1-NE2 3.25Å; S1426-Q1428 PolarHBondContact O-N 3.47Å |
| 1429 | N | 89.8 | Confident | 90.2 | Very high | 26 Ų | 26 | 62.6 Ų | 62.6 | 14% | 0.139 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -155.4 | 60.3 | 178.6 | -159.7 | 98.1 | 0 | 0 | 0 | 111.7 | S1418 A1422 S1426 P1427 | S1418-N1429 WeakPolarHBondContact CB-OD1 3.35Å; S1418-N1429 PolarHBondContact O-ND2 3.25Å; S1418-N1429 PolarHBondContact O-OD1 2.88Å; S1418-N1429 PolarHBondContact OG-OD1 3.26Å; A1422-N1429 WeakPolarHBondContact CA-ND2 3.42Å; A1422-N1429 WeakPolarHBondContact CB-ND2 3.5Å; S1426-N1429 CarbonylContact O-C 3.6Å; S1426-N1429 PolarHBondContact O-N 3.26Å; S1426-N1429 PolarHBondContact OG-N 3Å; P1427-N1429 VanDerWaalsContact C-N 3.25Å; P1427-N1429 PolarHBondContact O-N 2.83Å |
| 1430 | P | 94.1 | Very high | 90.6 | Very high | 19 Ų | 19 | 55.7 Ų | 55.7 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | trans | -68 | 153 | -178.5 | 32.2 | -36.9 | 0 | 0 | 0 | 111.1 | A1422 W1450 D1452 N1458 A1461 | A1422-P1430 WeakPolarHBondContact CB-O 3.3Å; P1430-W1450 WeakPolarHBondContact CA-O 3.46Å; P1430-W1450 HydrophobicContact CB-CB 4.02Å; P1430-W1450 WeakPolarHBondContact CB-O 3.21Å; P1430-D1452 HydrophobicContact CB-CB 3.81Å; P1430-D1452 HydrophobicContact CG-CB 3.54Å; P1430-N1458 HydrophobicContact CG-CB 3.93Å; P1430-A1461 HydrophobicContact CB-CB 4.03Å; P1430-A1461 HydrophobicContact CG-CB 4Å | ||
| 1431 | A | 93.7 | Very high | 90.9 | Very high | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -79.7 | 163.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | D1436 V1437 W1450 V1451 D1452 | A1431-D1436 HydrophobicContact CB-CB 4.34Å; A1431-V1437 HydrophobicContact CB-CG2 3.42Å; A1431-V1437 VanDerWaalsContact CB-CG2 3.42Å; A1431-W1450 PolarHBondContact N-O 3.25Å; A1431-V1451 CarbonylContact O-C 3.26Å; A1431-V1451 WeakPolarHBondContact O-CA 3.49Å; A1431-D1452 PolarHBondContact O-N 2.63Å |
| 1432 | R | 91.2 | Very high | 91.1 | Very high | 97 Ų | 97 | 50.4 Ų | 50.4 | 37% | 0.366 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -69.2 | -48 | 174.2 | -179.6 | -168.4 | 176.1 | 126.4 | -0.1 | 111 | D1436 D1452 P1453 E1455 | R1432-D1436 WeakPolarHBondContact CB-OD2 3.46Å; R1432-D1452 CarbonylContact O-C 3.49Å; R1432-P1453 WeakPolarHBondContact O-CA 3.43Å; R1432-P1453 WeakPolarHBondContact O-CD 3.48Å; R1432-E1455 VanDerWaalsContact CD-OE1 3.31Å; R1432-E1455 WeakPolarHBondContact CD-OE1 3.46Å; R1432-E1455 HydrophobicContact CG-CG 4.2Å; R1432-E1455 IonicContact CZ-OE1 3.83Å; R1432-E1455 IonicContact NE-OE1 3.82Å; R1432-E1455 IonicContact NH1-OE1 3.36Å; R1432-E1455 PolarHBondContact NH1-OE1 2.87Å |
| 1433 | T | 92.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -140.1 | 174.5 | 171.6 | 68.4 | 0 | 0 | 0 | 0 | 111.4 | K1435 D1436 V1437 Q1530 | T1433-K1435 PolarHBondContact O-N 2.86Å; T1433-K1435 WeakPolarHBondContact OG1-CB 3.33Å; T1433-K1435 PolarHBondContact OG1-N 2.74Å; T1433-K1435 VanDerWaalsContact OG1-N 3.08Å; T1433-D1436 WeakPolarHBondContact CB-OD2 3.45Å; T1433-D1436 PolarHBondContact N-OD2 3.4Å; T1433-D1436 WeakPolarHBondContact O-CB 3.41Å; T1433-D1436 PolarHBondContact O-N 3.03Å; T1433-D1436 VanDerWaalsContact O-N 3.07Å; T1433-D1436 PolarHBondContact OG1-N 3.36Å; T1433-D1436 PolarHBondContact OG1-OD2 3.05Å; T1433-V1437 PolarHBondContact O-N 3.16Å; T1433-Q1530 HydrophobicContact CG2-CB 4.49Å |
| 1434 | C | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.9 | -31.7 | 167.2 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | D1436 V1437 R1438 C1466 F1468 V1474 T1476 | C1434-D1436 VanDerWaalsContact C-N 3.26Å; C1434-D1436 PolarHBondContact O-N 3.47Å; C1434-V1437 WeakPolarHBondContact O-CB 3.38Å; C1434-V1437 PolarHBondContact O-N 3.01Å; C1434-V1437 VanDerWaalsContact O-N 3.16Å; C1434-R1438 PolarHBondContact O-N 2.63Å; C1434-C1466 VanDerWaalsContact CA-SG 3.54Å; C1434-C1466 HydrophobicContact CB-CB 3.6Å; C1434-C1466 WeakPolarHBondContact CB-SG 3.36Å; C1434-C1466 WeakPolarHBondContact SG-CA 3.09Å; C1434-C1466 WeakPolarHBondContact SG-CB 3.3Å; C1434-C1466 CovalentContact SG-SG 2.03Å; C1434-C1466 PolarHBondContact SG-SG 3.05Å; C1434-F1468 HydrophobicContact CB-CE1 4.25Å; C1434-F1468 WeakPolarHBondContact O-CE1 3.09Å; C1434-V1474 HydrophobicContact CB-CG1 3.55Å; C1434-T1476 WeakPolarHBondContact CB-OG1 3.48Å |
| 1435 | K | 92.5 | Very high | 91.4 | Very high | 93 Ų | 93 | 62.8 Ų | 62.8 | 40% | 0.404 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 175.2 | -162.5 | -174.3 | -165.3 | 166.4 | 0 | 111 | T1433 R1438 L1439 T1662 | T1433-K1435 PolarHBondContact O-N 2.86Å; T1433-K1435 WeakPolarHBondContact OG1-CB 3.33Å; T1433-K1435 PolarHBondContact OG1-N 2.74Å; T1433-K1435 VanDerWaalsContact OG1-N 3.08Å; K1435-R1438 PolarHBondContact O-N 3.39Å; K1435-L1439 HydrophobicContact CG-CD1 4.31Å; K1435-L1439 WeakPolarHBondContact O-CB 3.19Å; K1435-L1439 VanDerWaalsContact O-CG 3.27Å; K1435-L1439 WeakPolarHBondContact O-CG 3.48Å; K1435-L1439 PolarHBondContact O-N 3.5Å; K1435-T1662 HydrophobicContact CB-CG2 4.38Å; K1435-T1662 HydrophobicContact CD-CG2 3.85Å; K1435-T1662 HydrophobicContact CG-CG2 4.24Å |
| 1436 | D | 91.9 | Very high | 91.5 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -72 | -30 | 178.5 | -54.5 | -74.9 | 0 | 0 | 0 | 112.4 | A1431 R1432 T1433 C1434 T1440 | A1431-D1436 HydrophobicContact CB-CB 4.34Å; R1432-D1436 WeakPolarHBondContact CB-OD2 3.46Å; T1433-D1436 WeakPolarHBondContact CB-OD2 3.45Å; T1433-D1436 PolarHBondContact N-OD2 3.4Å; T1433-D1436 WeakPolarHBondContact O-CB 3.41Å; T1433-D1436 PolarHBondContact O-N 3.03Å; T1433-D1436 VanDerWaalsContact O-N 3.07Å; T1433-D1436 PolarHBondContact OG1-N 3.36Å; T1433-D1436 PolarHBondContact OG1-OD2 3.05Å; C1434-D1436 VanDerWaalsContact C-N 3.26Å; C1434-D1436 PolarHBondContact O-N 3.47Å; D1436-T1440 WeakPolarHBondContact O-CB 3.39Å; D1436-T1440 PolarHBondContact O-N 2.96Å; D1436-T1440 PolarHBondContact O-OG1 3.3Å |
| 1437 | V | 93.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 167.8 | -178 | 0 | 0 | 0 | 0 | 110.5 | A1431 T1433 C1434 L1439 T1440 N1441 A1444 Y1449 F1468 | A1431-V1437 HydrophobicContact CB-CG2 3.42Å; A1431-V1437 VanDerWaalsContact CB-CG2 3.42Å; T1433-V1437 PolarHBondContact O-N 3.16Å; C1434-V1437 WeakPolarHBondContact O-CB 3.38Å; C1434-V1437 PolarHBondContact O-N 3.01Å; C1434-V1437 VanDerWaalsContact O-N 3.16Å; V1437-L1439 PolarHBondContact O-N 3.28Å; V1437-T1440 PolarHBondContact O-N 2.76Å; V1437-N1441 PolarHBondContact O-N 2.88Å; V1437-A1444 HydrophobicContact CG1-CB 3.82Å; V1437-Y1449 HydrophobicContact CG1-CD1 3.75Å; V1437-Y1449 HydrophobicContact CG1-CD2 4.4Å; V1437-Y1449 HydrophobicContact CG1-CE1 3.56Å; V1437-Y1449 HydrophobicContact CG1-CE2 4.23Å; V1437-Y1449 HydrophobicContact CG1-CG 4.18Å; V1437-Y1449 HydrophobicContact CG2-CD1 4.14Å; V1437-Y1449 HydrophobicContact CG2-CG 4.16Å; V1437-F1468 HydrophobicContact CB-CZ 4.08Å; V1437-F1468 HydrophobicContact CG1-CZ 3.88Å |
| 1438 | R | 93 | Very high | 91.9 | Very high | 61 Ų | 61 | 65.9 Ų | 65.9 | 23% | 0.23 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.6 | -35.2 | 178.6 | -173.8 | 67.3 | 146.8 | 168.1 | -13.7 | 112.9 | C1434 K1435 N1441 K1442 F1468 F1469 V1474 | C1434-R1438 PolarHBondContact O-N 2.63Å; K1435-R1438 PolarHBondContact O-N 3.39Å; R1438-N1441 CarbonylContact O-C 3.55Å; R1438-N1441 VanDerWaalsContact O-C 3.26Å; R1438-K1442 PolarHBondContact NH1-O 2.68Å; R1438-K1442 WeakPolarHBondContact O-CA 3.17Å; R1438-K1442 PolarHBondContact O-N 3.35Å; R1438-F1468 HydrophobicContact CB-CD1 3.85Å; R1438-F1468 HydrophobicContact CB-CE1 3.75Å; R1438-F1468 HydrophobicContact CG-CD1 4.12Å; R1438-F1469 PolarHBondContact NH2-O 3.37Å; R1438-V1474 HydrophobicContact CB-CG2 4.08Å; R1438-V1474 HydrophobicContact CG-CG2 4.04Å |
| 1439 | L | 90.9 | Very high | 92.2 | Very high | 125 Ų | 125 | 63.3 Ų | 63.3 | 65% | 0.654 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -72 | -40 | 175.3 | -71.7 | 169.4 | 0 | 0 | 0 | 112 | K1435 V1437 | K1435-L1439 HydrophobicContact CG-CD1 4.31Å; K1435-L1439 WeakPolarHBondContact O-CB 3.19Å; K1435-L1439 VanDerWaalsContact O-CG 3.27Å; K1435-L1439 WeakPolarHBondContact O-CG 3.48Å; K1435-L1439 PolarHBondContact O-N 3.5Å; V1437-L1439 PolarHBondContact O-N 3.28Å |
| 1440 | T | 89.3 | Confident | 92.4 | Very high | 48 Ų | 48 | 65.5 Ų | 65.5 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.9 | -41.9 | 176.1 | -66 | 0 | 0 | 0 | 0 | 111.9 | T1423 D1436 V1437 | T1423-T1440 HydrophobicContact CG2-CG2 4.19Å; D1436-T1440 WeakPolarHBondContact O-CB 3.39Å; D1436-T1440 PolarHBondContact O-N 2.96Å; D1436-T1440 PolarHBondContact O-OG1 3.3Å; V1437-T1440 PolarHBondContact O-N 2.76Å |
| 1441 | N | 89.8 | Confident | 92.4 | Very high | 67 Ų | 67 | 64.6 Ų | 64.6 | 36% | 0.358 | 31% | 0.309 | S | S | . | . | trans | -132.6 | 102.7 | 178 | 179 | 16.4 | 0 | 0 | 0 | 110.3 | V1437 R1438 F1443 A1444 | V1437-N1441 PolarHBondContact O-N 2.88Å; R1438-N1441 CarbonylContact O-C 3.55Å; R1438-N1441 VanDerWaalsContact O-C 3.26Å; N1441-F1443 PolarHBondContact O-N 3.4Å; N1441-F1443 VanDerWaalsContact O-N 3.12Å; N1441-F1443 WeakPolarHBondContact OD1-CA 3.38Å; N1441-F1443 PolarHBondContact OD1-N 2.72Å; N1441-A1444 HydrophobicContact CB-CB 4.34Å; N1441-A1444 PolarHBondContact ND2-N 3.38Å; N1441-A1444 VanDerWaalsContact O-CB 3.29Å; N1441-A1444 WeakPolarHBondContact O-CB 3.32Å; N1441-A1444 PolarHBondContact O-N 3.02Å | ||
| 1442 | K | 88.9 | Confident | 92.5 | Very high | 131 Ų | 131 | 65.1 Ų | 65.1 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.5 | 175.8 | -62.5 | -170 | 176.1 | -167.3 | 0 | 113.1 | R1438 | R1438-K1442 PolarHBondContact NH1-O 2.68Å; R1438-K1442 WeakPolarHBondContact O-CA 3.17Å; R1438-K1442 PolarHBondContact O-N 3.35Å |
| 1443 | F | 90 | Very high | 92.6 | Very high | 178 Ų | 178 | 60.5 Ų | 60.5 | 78% | 0.781 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 25.9 | 178.3 | -49 | -74.4 | 0 | 0 | 0 | 112.5 | N1441 | N1441-F1443 PolarHBondContact O-N 3.4Å; N1441-F1443 VanDerWaalsContact O-N 3.12Å; N1441-F1443 WeakPolarHBondContact OD1-CA 3.38Å; N1441-F1443 PolarHBondContact OD1-N 2.72Å |
| 1444 | A | 89.6 | Confident | 92.6 | Very high | 9 Ų | 9 | 62.7 Ų | 62.7 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | trans | -59.3 | 145 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110 | V1437 N1441 F1468 | V1437-A1444 HydrophobicContact CG1-CB 3.82Å; N1441-A1444 HydrophobicContact CB-CB 4.34Å; N1441-A1444 PolarHBondContact ND2-N 3.38Å; N1441-A1444 VanDerWaalsContact O-CB 3.29Å; N1441-A1444 WeakPolarHBondContact O-CB 3.32Å; N1441-A1444 PolarHBondContact O-N 3.02Å; A1444-F1468 HydrophobicContact CB-CD2 3.97Å; A1444-F1468 HydrophobicContact CB-CE2 3.38Å; A1444-F1468 HydrophobicContact CB-CZ 3.83Å | ||
| 1445 | Q | 92.4 | Very high | 92.3 | Very high | 146 Ų | 146 | 67.3 Ų | 67.3 | 68% | 0.682 | 33% | 0.328 | S | S | * | . | trans | -106 | 156.7 | -176.5 | -61.9 | -175.3 | 9.2 | 0 | 0 | 109.5 | D1447 Y1449 F1468 | Q1445-D1447 PolarHBondContact O-N 3.15Å; Q1445-Y1449 PolarHBondContact N-OH 3.36Å; Q1445-Y1449 WeakPolarHBondContact O-CE2 3.03Å; Q1445-Y1449 PolarHBondContact O-OH 2.81Å; Q1445-F1468 VanDerWaalsContact O-CE2 3.27Å; Q1445-F1468 WeakPolarHBondContact O-CE2 3.07Å | ||
| 1446 | N | 94.7 | Very high | 92 | Very high | 97 Ų | 97 | 67 Ų | 67 | 52% | 0.519 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -72.6 | 98.6 | -179.6 | -64.5 | -1.4 | 0 | 0 | 0 | 109.3 | C1466 F1468 | N1446-C1466 VanDerWaalsContact CA-O 3.31Å; N1446-C1466 WeakPolarHBondContact CA-O 3.43Å; N1446-F1468 WeakPolarHBondContact OD1-CB 3.47Å; N1446-F1468 WeakPolarHBondContact OD1-CD2 3.47Å; N1446-F1468 PolarHBondContact OD1-N 2.94Å; N1446-F1468 PolarHBondContact OD1-O 3.45Å |
| 1447 | D | 93.8 | Very high | 91.9 | Very high | 92 Ų | 92 | 66.9 Ų | 66.9 | 49% | 0.492 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 178.5 | -167.9 | -158.9 | -3.6 | 0 | 0 | 0 | 110.6 | Q1445 Y1449 C1466 | Q1445-D1447 PolarHBondContact O-N 3.15Å; D1447-Y1449 HydrophobicContact CB-CE2 4.02Å; D1447-Y1449 WeakPolarHBondContact O-CD2 3.43Å; D1447-C1466 PolarHBondContact N-O 3.41Å; D1447-C1466 PolarHBondContact O-N 3.35Å |
| 1448 | T | 94.3 | Very high | 91.7 | Very high | 72 Ų | 72 | 70 Ų | 70 | 44% | 0.442 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 120.6 | 178.7 | -49.2 | 0 | 0 | 0 | 0 | 111.3 | R1463 | T1448-R1463 HydrophobicContact CG2-CB 3.99Å |
| 1449 | Y | 95.2 | Very high | 91.5 | Very high | 13 Ų | 13 | 73 Ų | 73 | 5% | 0.051 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 157.6 | 177.5 | -66.6 | -93.7 | 0 | 0 | 0 | 110.9 | T1423 L1425 V1437 Q1445 D1447 R1463 A1464 C1466 F1468 | T1423-Y1449 WeakPolarHBondContact O-CD1 3.45Å; L1425-Y1449 HydrophobicContact CD2-CD1 4.05Å; L1425-Y1449 HydrophobicContact CD2-CE1 3.59Å; L1425-Y1449 HydrophobicContact CG-CE1 4.29Å; V1437-Y1449 HydrophobicContact CG1-CD1 3.75Å; V1437-Y1449 HydrophobicContact CG1-CD2 4.4Å; V1437-Y1449 HydrophobicContact CG1-CE1 3.56Å; V1437-Y1449 HydrophobicContact CG1-CE2 4.23Å; V1437-Y1449 HydrophobicContact CG1-CG 4.18Å; V1437-Y1449 HydrophobicContact CG2-CD1 4.14Å; V1437-Y1449 HydrophobicContact CG2-CG 4.16Å; Q1445-Y1449 PolarHBondContact N-OH 3.36Å; Q1445-Y1449 WeakPolarHBondContact O-CE2 3.03Å; Q1445-Y1449 PolarHBondContact O-OH 2.81Å; D1447-Y1449 HydrophobicContact CB-CE2 4.02Å; D1447-Y1449 WeakPolarHBondContact O-CD2 3.43Å; Y1449-R1463 WeakPolarHBondContact O-CA 3.35Å; Y1449-A1464 PolarHBondContact N-O 2.95Å; Y1449-A1464 PolarHBondContact O-N 2.95Å; Y1449-A1464 VanDerWaalsContact O-O 3.12Å; Y1449-C1466 HydrophobicContact CD2-CB 3.76Å; Y1449-C1466 WeakPolarHBondContact CD2-SG 3.36Å; Y1449-C1466 HydrophobicContact CE2-CB 4.17Å; Y1449-F1468 AromaticContact CE2-CE2 3.98Å; Y1449-F1468 HydrophobicContact CE2-CE2 3.98Å; Y1449-F1468 HydrophobicContact CE2-CZ 4.25Å |
| 1450 | W | 94.6 | Very high | 91.4 | Very high | 73 Ų | 73 | 69.7 Ų | 69.7 | 28% | 0.277 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 121.6 | 167.2 | -66.8 | 85.6 | 0 | 0 | 0 | 109.4 | G1424 P1427 P1430 A1431 A1461 I1462 R1463 | G1424-W1450 WeakPolarHBondContact CA-O 3.43Å; G1424-W1450 PolarHBondContact O-N 3.08Å; P1427-W1450 HydrophobicContact CB-CD2 3.71Å; P1427-W1450 HydrophobicContact CB-CE3 3.74Å; P1427-W1450 HydrophobicContact CB-CG 4.23Å; P1427-W1450 HydrophobicContact CB-CH2 4.24Å; P1427-W1450 HydrophobicContact CB-CZ2 4.25Å; P1427-W1450 HydrophobicContact CB-CZ3 4.01Å; P1427-W1450 HydrophobicContact CG-CD2 4.25Å; P1427-W1450 HydrophobicContact CG-CH2 4.47Å; P1427-W1450 HydrophobicContact CG-CZ2 4.14Å; P1430-W1450 WeakPolarHBondContact CA-O 3.46Å; P1430-W1450 HydrophobicContact CB-CB 4.02Å; P1430-W1450 WeakPolarHBondContact CB-O 3.21Å; A1431-W1450 PolarHBondContact N-O 3.25Å; W1450-A1461 WeakPolarHBondContact CZ3-O 3.16Å; W1450-I1462 WeakPolarHBondContact CA-O 3.49Å; W1450-R1463 HydrophobicContact CD2-CG 3.93Å; W1450-R1463 HydrophobicContact CE3-CG 3.88Å; W1450-R1463 HydrophobicContact CH2-CG 3.66Å; W1450-R1463 HydrophobicContact CZ2-CG 3.67Å; W1450-R1463 HydrophobicContact CZ3-CG 3.76Å |
| 1451 | V | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 144.2 | 177.1 | -59.5 | 0 | 0 | 0 | 0 | 111 | A1431 P1453 A1461 I1462 A1464 T1476 | A1431-V1451 CarbonylContact O-C 3.26Å; A1431-V1451 WeakPolarHBondContact O-CA 3.49Å; V1451-P1453 HydrophobicContact CG2-CG 4.4Å; V1451-A1461 CarbonylContact O-C 3.53Å; V1451-A1461 WeakPolarHBondContact O-CA 3.36Å; V1451-I1462 HydrophobicContact CG2-CD1 4.26Å; V1451-I1462 HydrophobicContact CG2-CG1 3.74Å; V1451-I1462 PolarHBondContact N-O 3.04Å; V1451-I1462 PolarHBondContact O-N 2.78Å; V1451-A1464 HydrophobicContact CG1-CB 4.33Å; V1451-A1464 HydrophobicContact CG2-CB 3.52Å; V1451-T1476 HydrophobicContact CG2-CG2 4.47Å |
| 1452 | D | 94.7 | Very high | 91.7 | Very high | 12 Ų | 12 | 65.5 Ų | 65.5 | 6% | 0.064 | 35% | 0.345 | C | S | . | . | trans | -129.1 | 67.4 | -177.2 | -163.1 | 30 | 0 | 0 | 0 | 110.2 | P1430 A1431 R1432 N1454 E1455 A1461 Q1523 | P1430-D1452 HydrophobicContact CB-CB 3.81Å; P1430-D1452 HydrophobicContact CG-CB 3.54Å; A1431-D1452 PolarHBondContact O-N 2.63Å; R1432-D1452 CarbonylContact O-C 3.49Å; D1452-N1454 VanDerWaalsContact C-N 3.31Å; D1452-N1454 PolarHBondContact O-N 3.08Å; D1452-N1454 PolarHBondContact OD1-OD1 3.43Å; D1452-N1454 VanDerWaalsContact OD1-OD1 3.1Å; D1452-E1455 PolarHBondContact O-N 3.26Å; D1452-A1461 HydrophobicContact CB-CB 3.93Å; D1452-Q1523 PolarHBondContact OD1-NE2 3.21Å | ||
| 1453 | P | 93.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -40.9 | -175.2 | -30.3 | 31.6 | 0 | 0 | 0 | 115.8 | R1432 V1451 E1455 Q1523 M1526 L1527 Q1530 | R1432-P1453 WeakPolarHBondContact O-CA 3.43Å; R1432-P1453 WeakPolarHBondContact O-CD 3.48Å; V1451-P1453 HydrophobicContact CG2-CG 4.4Å; P1453-E1455 VanDerWaalsContact C-N 3.32Å; P1453-Q1523 VanDerWaalsContact N-OE1 3.14Å; P1453-M1526 HydrophobicContact CB-CB 3.97Å; P1453-M1526 HydrophobicContact CB-CG 3.99Å; P1453-M1526 WeakPolarHBondContact O-CG 3.45Å; P1453-L1527 HydrophobicContact CB-CD2 4.17Å; P1453-L1527 HydrophobicContact CB-CG 4.13Å; P1453-L1527 HydrophobicContact CG-CD1 4.36Å; P1453-L1527 HydrophobicContact CG-CD2 3.53Å; P1453-L1527 HydrophobicContact CG-CG 3.63Å; P1453-Q1530 PolarHBondContact O-NE2 2.88Å |
| 1454 | N | 91.4 | Very high | 92 | Very high | 50 Ų | 50 | 58.5 Ų | 58.5 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -14.2 | 178.1 | 66.9 | -8.8 | 0 | 0 | 0 | 114 | D1452 D1460 Q1523 M1526 | D1452-N1454 VanDerWaalsContact C-N 3.31Å; D1452-N1454 PolarHBondContact O-N 3.08Å; D1452-N1454 PolarHBondContact OD1-OD1 3.43Å; D1452-N1454 VanDerWaalsContact OD1-OD1 3.1Å; N1454-D1460 PolarHBondContact ND2-OD2 3.3Å; N1454-Q1523 PolarHBondContact OD1-NE2 2.96Å; N1454-Q1523 PolarHBondContact OD1-OE1 2.83Å; N1454-M1526 HydrophobicContact CB-CB 4.47Å |
| 1455 | E | 89.1 | Confident | 92.2 | Very high | 96 Ų | 96 | 63 Ų | 63 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | trans | 52.1 | -161.7 | -170.4 | -53.1 | -176.9 | -174.4 | 0 | 0 | 113 | R1432 D1452 P1453 S1457 | R1432-E1455 VanDerWaalsContact CD-OE1 3.31Å; R1432-E1455 WeakPolarHBondContact CD-OE1 3.46Å; R1432-E1455 HydrophobicContact CG-CG 4.2Å; R1432-E1455 IonicContact CZ-OE1 3.83Å; R1432-E1455 IonicContact NE-OE1 3.82Å; R1432-E1455 IonicContact NH1-OE1 3.36Å; R1432-E1455 PolarHBondContact NH1-OE1 2.87Å; D1452-E1455 PolarHBondContact O-N 3.26Å; P1453-E1455 VanDerWaalsContact C-N 3.32Å; E1455-S1457 VanDerWaalsContact C-N 3.32Å; E1455-S1457 PolarHBondContact O-N 3.21Å | ||
| 1456 | G | 87.4 | Confident | 92.4 | Very high | 87 Ų | 87 | 56.1 Ų | 56.1 | 90% | 0.897 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 79.7 | -72.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1457 | S | 89.2 | Confident | 92.5 | Very high | 46 Ų | 46 | 52.6 Ų | 52.6 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | trans | -111.6 | 101.2 | -173.2 | 165.8 | 0 | 0 | 0 | 0 | 111.4 | E1455 K1459 D1460 | E1455-S1457 VanDerWaalsContact C-N 3.32Å; E1455-S1457 PolarHBondContact O-N 3.21Å; S1457-K1459 PolarHBondContact O-N 3.36Å; S1457-D1460 WeakPolarHBondContact CB-OD1 3.32Å; S1457-D1460 PolarHBondContact O-N 2.86Å; S1457-D1460 PolarHBondContact OG-OD1 3.25Å | ||
| 1458 | N | 89.4 | Confident | 92.5 | Very high | 65 Ų | 65 | 48.7 Ų | 48.7 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 13.3 | 175.9 | 76.8 | -82.2 | 0 | 0 | 0 | 114.2 | P1427 P1430 | P1427-N1458 PolarHBondContact O-ND2 3.07Å; P1430-N1458 HydrophobicContact CG-CB 3.93Å |
| 1459 | K | 89.8 | Confident | 92.4 | Very high | 124 Ų | 124 | 48.8 Ų | 48.8 | 54% | 0.539 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -33.5 | 175.7 | -70.4 | 173.6 | 167.1 | 173.5 | 0 | 111.8 | N57 S1457 | N57-K1459 WeakPolarHBondContact OD1-CE 3.29Å; N57-K1459 PolarHBondContact OD1-NZ 2.82Å; S1457-K1459 PolarHBondContact O-N 3.36Å |
| 1460 | D | 89.3 | Confident | 92.1 | Very high | 56 Ų | 56 | 56.3 Ų | 56.3 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -99.5 | 13.5 | 175.6 | 55.2 | -67.7 | 0 | 0 | 0 | 113.2 | N1454 S1457 Q1523 | N1454-D1460 PolarHBondContact ND2-OD2 3.3Å; S1457-D1460 WeakPolarHBondContact CB-OD1 3.32Å; S1457-D1460 PolarHBondContact O-N 2.86Å; S1457-D1460 PolarHBondContact OG-OD1 3.25Å; D1460-Q1523 PolarHBondContact O-NE2 2.93Å |
| 1461 | A | 91.9 | Very high | 91.8 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 131.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P1430 W1450 V1451 D1452 | P1430-A1461 HydrophobicContact CB-CB 4.03Å; P1430-A1461 HydrophobicContact CG-CB 4Å; W1450-A1461 WeakPolarHBondContact CZ3-O 3.16Å; V1451-A1461 CarbonylContact O-C 3.53Å; V1451-A1461 WeakPolarHBondContact O-CA 3.36Å; D1452-A1461 HydrophobicContact CB-CB 3.93Å |
| 1462 | I | 91.7 | Very high | 91.5 | Very high | 18 Ų | 18 | 59.9 Ų | 59.9 | 9% | 0.092 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 156.3 | -174.6 | 56.7 | 174.2 | 0 | 0 | 0 | 111.7 | W1450 V1451 V1478 Q1523 L1527 | W1450-I1462 WeakPolarHBondContact CA-O 3.49Å; V1451-I1462 HydrophobicContact CG2-CD1 4.26Å; V1451-I1462 HydrophobicContact CG2-CG1 3.74Å; V1451-I1462 PolarHBondContact N-O 3.04Å; V1451-I1462 PolarHBondContact O-N 2.78Å; I1462-V1478 HydrophobicContact CD1-CG1 4.14Å; I1462-V1478 HydrophobicContact CD1-CG2 3.8Å; I1462-Q1523 HydrophobicContact CD1-CB 4.16Å; I1462-Q1523 HydrophobicContact CG2-CB 4.4Å; I1462-Q1523 HydrophobicContact CG2-CG 4.23Å; I1462-L1527 HydrophobicContact CD1-CD1 4.04Å |
| 1463 | R | 92.2 | Very high | 91.3 | Very high | 163 Ų | 163 | 60.5 Ų | 60.5 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 126.9 | 166.3 | -64.8 | -170.4 | -58.8 | -122.4 | 1.9 | 108.7 | T1448 Y1449 W1450 | T1448-R1463 HydrophobicContact CG2-CB 3.99Å; Y1449-R1463 WeakPolarHBondContact O-CA 3.35Å; W1450-R1463 HydrophobicContact CD2-CG 3.93Å; W1450-R1463 HydrophobicContact CE3-CG 3.88Å; W1450-R1463 HydrophobicContact CH2-CG 3.66Å; W1450-R1463 HydrophobicContact CZ2-CG 3.67Å; W1450-R1463 HydrophobicContact CZ3-CG 3.76Å |
| 1464 | A | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 135.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y1449 V1451 T1476 C1477 V1478 | Y1449-A1464 PolarHBondContact N-O 2.95Å; Y1449-A1464 PolarHBondContact O-N 2.95Å; Y1449-A1464 VanDerWaalsContact O-O 3.12Å; V1451-A1464 HydrophobicContact CG1-CB 4.33Å; V1451-A1464 HydrophobicContact CG2-CB 3.52Å; A1464-T1476 HydrophobicContact CB-CG2 3.69Å; A1464-C1477 CarbonylContact C-O 3.11Å; A1464-C1477 WeakPolarHBondContact CA-O 3.42Å; A1464-C1477 WeakPolarHBondContact CB-O 3.47Å; A1464-V1478 HydrophobicContact CB-CG2 4.32Å |
| 1465 | K | 94.8 | Very high | 91.4 | Very high | 104 Ų | 104 | 59.7 Ų | 59.7 | 45% | 0.452 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 119.9 | 169.6 | 177.4 | -177.2 | 174.9 | -171.5 | 0 | 108.3 | C1477 | K1465-C1477 HydrophobicContact CB-CB 4.16Å; K1465-C1477 PolarHBondContact N-O 3.32Å; K1465-C1477 WeakPolarHBondContact O-CB 3.32Å; K1465-C1477 PolarHBondContact O-N 3.45Å |
| 1466 | C | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 118.9 | -179.5 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | C1434 N1446 D1447 Y1449 F1468 E1475 | C1434-C1466 VanDerWaalsContact CA-SG 3.54Å; C1434-C1466 HydrophobicContact CB-CB 3.6Å; C1434-C1466 WeakPolarHBondContact CB-SG 3.36Å; C1434-C1466 WeakPolarHBondContact SG-CA 3.09Å; C1434-C1466 WeakPolarHBondContact SG-CB 3.3Å; C1434-C1466 CovalentContact SG-SG 2.03Å; C1434-C1466 PolarHBondContact SG-SG 3.05Å; N1446-C1466 VanDerWaalsContact CA-O 3.31Å; N1446-C1466 WeakPolarHBondContact CA-O 3.43Å; D1447-C1466 PolarHBondContact N-O 3.41Å; D1447-C1466 PolarHBondContact O-N 3.35Å; Y1449-C1466 HydrophobicContact CD2-CB 3.76Å; Y1449-C1466 WeakPolarHBondContact CD2-SG 3.36Å; Y1449-C1466 HydrophobicContact CE2-CB 4.17Å; C1466-F1468 HydrophobicContact CB-CE1 3.83Å; C1466-F1468 HydrophobicContact CB-CE2 3.89Å; C1466-F1468 HydrophobicContact CB-CZ 3.4Å; C1466-E1475 WeakPolarHBondContact CA-O 3.25Å |
| 1467 | T | 95.7 | Very high | 92.1 | Very high | 23 Ų | 23 | 51.3 Ų | 51.3 | 14% | 0.141 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 121.8 | 167.6 | -39.1 | 0 | 0 | 0 | 0 | 109.1 | F1469 E1475 | T1467-F1469 HydrophobicContact CG2-CD2 4.4Å; T1467-F1469 HydrophobicContact CG2-CE1 3.96Å; T1467-F1469 HydrophobicContact CG2-CE2 3.74Å; T1467-F1469 HydrophobicContact CG2-CZ 3.49Å; T1467-F1469 VanDerWaalsContact CG2-CZ 3.49Å; T1467-E1475 WeakPolarHBondContact CB-OE2 3.1Å; T1467-E1475 PolarHBondContact N-O 2.63Å; T1467-E1475 PolarHBondContact O-N 3.37Å; T1467-E1475 PolarHBondContact OG1-OE2 2.76Å |
| 1468 | F | 94.7 | Very high | 92.2 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.8 | 176.1 | -54 | -57.1 | 0 | 0 | 0 | 109.9 | C1434 V1437 R1438 A1444 Q1445 N1446 Y1449 C1466 V1474 | C1434-F1468 HydrophobicContact CB-CE1 4.25Å; C1434-F1468 WeakPolarHBondContact O-CE1 3.09Å; V1437-F1468 HydrophobicContact CB-CZ 4.08Å; V1437-F1468 HydrophobicContact CG1-CZ 3.88Å; R1438-F1468 HydrophobicContact CB-CD1 3.85Å; R1438-F1468 HydrophobicContact CB-CE1 3.75Å; R1438-F1468 HydrophobicContact CG-CD1 4.12Å; A1444-F1468 HydrophobicContact CB-CD2 3.97Å; A1444-F1468 HydrophobicContact CB-CE2 3.38Å; A1444-F1468 HydrophobicContact CB-CZ 3.83Å; Q1445-F1468 VanDerWaalsContact O-CE2 3.27Å; Q1445-F1468 WeakPolarHBondContact O-CE2 3.07Å; N1446-F1468 WeakPolarHBondContact OD1-CB 3.47Å; N1446-F1468 WeakPolarHBondContact OD1-CD2 3.47Å; N1446-F1468 PolarHBondContact OD1-N 2.94Å; N1446-F1468 PolarHBondContact OD1-O 3.45Å; Y1449-F1468 AromaticContact CE2-CE2 3.98Å; Y1449-F1468 HydrophobicContact CE2-CE2 3.98Å; Y1449-F1468 HydrophobicContact CE2-CZ 4.25Å; C1466-F1468 HydrophobicContact CB-CE1 3.83Å; C1466-F1468 HydrophobicContact CB-CE2 3.89Å; C1466-F1468 HydrophobicContact CB-CZ 3.4Å; F1468-V1474 HydrophobicContact CD1-CG1 3.74Å; F1468-V1474 HydrophobicContact CD1-CG2 4.1Å; F1468-V1474 HydrophobicContact CE1-CG1 3.73Å |
| 1469 | F | 92.5 | Very high | 92.1 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | trans | -97.5 | 157.1 | 178.6 | -60 | -85.5 | 0 | 0 | 0 | 111.3 | R1438 T1467 D1471 G1472 T1473 E1475 | R1438-F1469 PolarHBondContact NH2-O 3.37Å; T1467-F1469 HydrophobicContact CG2-CD2 4.4Å; T1467-F1469 HydrophobicContact CG2-CE1 3.96Å; T1467-F1469 HydrophobicContact CG2-CE2 3.74Å; T1467-F1469 HydrophobicContact CG2-CZ 3.49Å; T1467-F1469 VanDerWaalsContact CG2-CZ 3.49Å; F1469-D1471 VanDerWaalsContact C-N 3.32Å; F1469-D1471 VanDerWaalsContact CB-OD1 3.26Å; F1469-D1471 WeakPolarHBondContact CB-OD1 3.2Å; F1469-G1472 PolarHBondContact O-N 3.25Å; F1469-T1473 WeakPolarHBondContact CB-OG1 3.31Å; F1469-T1473 WeakPolarHBondContact CD2-OG1 3.48Å; F1469-T1473 PolarHBondContact N-O 2.74Å; F1469-T1473 VanDerWaalsContact N-O 3.16Å; F1469-E1475 HydrophobicContact CE2-CB 3.93Å | ||
| 1470 | D | 88.8 | Confident | 91.7 | Very high | 170 Ų | 170 | 43.7 Ų | 43.7 | 91% | 0.909 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -20.3 | -177.1 | -69.5 | -36.7 | 0 | 0 | 0 | 113.5 | G1472 | D1470-G1472 PolarHBondContact O-N 3Š|
| 1471 | D | 88.6 | Confident | 90.7 | Very high | 99 Ų | 99 | 45 Ų | 45 | 53% | 0.529 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -5.6 | 171.6 | 69.4 | -8.1 | 0 | 0 | 0 | 113.2 | F1469 T1473 | F1469-D1471 VanDerWaalsContact C-N 3.32Å; F1469-D1471 VanDerWaalsContact CB-OD1 3.26Å; F1469-D1471 WeakPolarHBondContact CB-OD1 3.2Å; D1471-T1473 WeakPolarHBondContact OD1-CB 3.49Å; D1471-T1473 PolarHBondContact OD1-N 3.06Å; D1471-T1473 PolarHBondContact OD1-OG1 3.32Å; D1471-T1473 WeakPolarHBondContact OD2-CG2 3.34Å; D1471-T1473 PolarHBondContact OD2-OG1 2.82Å |
| 1472 | G | 86.1 | Confident | 89.4 | Confident | 50 Ų | 50 | 46.3 Ų | 46.3 | 52% | 0.515 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 88.5 | -1.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F1469 D1470 | F1469-G1472 PolarHBondContact O-N 3.25Å; D1470-G1472 PolarHBondContact O-N 3Å |
| 1473 | T | 90.4 | Very high | 87.7 | Confident | 25 Ų | 25 | 51.5 Ų | 51.5 | 15% | 0.153 | 28% | 0.275 | C | S | . | . | trans | -66.4 | 146.3 | 168.8 | 62.2 | 0 | 0 | 0 | 0 | 110.4 | F1469 D1471 | F1469-T1473 WeakPolarHBondContact CB-OG1 3.31Å; F1469-T1473 WeakPolarHBondContact CD2-OG1 3.48Å; F1469-T1473 PolarHBondContact N-O 2.74Å; F1469-T1473 VanDerWaalsContact N-O 3.16Å; D1471-T1473 WeakPolarHBondContact OD1-CB 3.49Å; D1471-T1473 PolarHBondContact OD1-N 3.06Å; D1471-T1473 PolarHBondContact OD1-OG1 3.32Å; D1471-T1473 WeakPolarHBondContact OD2-CG2 3.34Å; D1471-T1473 PolarHBondContact OD2-OG1 2.82Å | ||
| 1474 | V | 94.3 | Very high | 85.9 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.5 | 178.1 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | C1434 R1438 F1468 R1661 T1662 | C1434-V1474 HydrophobicContact CB-CG1 3.55Å; R1438-V1474 HydrophobicContact CB-CG2 4.08Å; R1438-V1474 HydrophobicContact CG-CG2 4.04Å; F1468-V1474 HydrophobicContact CD1-CG1 3.74Å; F1468-V1474 HydrophobicContact CD1-CG2 4.1Å; F1468-V1474 HydrophobicContact CE1-CG1 3.73Å; V1474-R1661 WeakPolarHBondContact O-CA 3.45Å; V1474-R1661 WeakPolarHBondContact O-CG 3.4Å; V1474-T1662 HydrophobicContact CB-CG2 4.48Å; V1474-T1662 PolarHBondContact N-OG1 3.03Å; V1474-T1662 PolarHBondContact O-N 3.23Å; V1474-T1662 PolarHBondContact O-OG1 2.95Å |
| 1475 | E | 94.7 | Very high | 84.1 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 15% | 0.145 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.6 | -178.3 | 176.4 | -176.3 | -98.9 | 0 | 0 | 109.6 | C1466 T1467 F1469 C1659 Y1660 R1661 | C1466-E1475 WeakPolarHBondContact CA-O 3.25Å; T1467-E1475 WeakPolarHBondContact CB-OE2 3.1Å; T1467-E1475 PolarHBondContact N-O 2.63Å; T1467-E1475 PolarHBondContact O-N 3.37Å; T1467-E1475 PolarHBondContact OG1-OE2 2.76Å; F1469-E1475 HydrophobicContact CE2-CB 3.93Å; E1475-C1659 HydrophobicContact CG-CB 3.89Å; E1475-Y1660 CarbonylContact C-O 3.58Å; E1475-Y1660 WeakPolarHBondContact CA-O 3.19Å; E1475-R1661 HydrophobicContact CB-CG 4.37Å |
| 1476 | T | 95.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 95.2 | 179.2 | -51.9 | 0 | 0 | 0 | 0 | 108 | C1434 V1451 A1464 L1527 H1531 Y1660 | C1434-T1476 WeakPolarHBondContact CB-OG1 3.48Å; V1451-T1476 HydrophobicContact CG2-CG2 4.47Å; A1464-T1476 HydrophobicContact CB-CG2 3.69Å; T1476-L1527 HydrophobicContact CG2-CD2 3.77Å; T1476-H1531 PolarHBondContact OG1-NE2 2.91Å; T1476-H1531 VanDerWaalsContact OG1-NE2 3.08Å; T1476-Y1660 PolarHBondContact N-O 2.92Å; T1476-Y1660 PolarHBondContact O-N 2.88Å |
| 1477 | C | 94.3 | Very high | 81.1 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.6 | 177.9 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | A1464 K1465 A1657 V1658 C1659 | A1464-C1477 CarbonylContact C-O 3.11Å; A1464-C1477 WeakPolarHBondContact CA-O 3.42Å; A1464-C1477 WeakPolarHBondContact CB-O 3.47Å; K1465-C1477 HydrophobicContact CB-CB 4.16Å; K1465-C1477 PolarHBondContact N-O 3.32Å; K1465-C1477 WeakPolarHBondContact O-CB 3.32Å; K1465-C1477 PolarHBondContact O-N 3.45Å; C1477-A1657 HydrophobicContact CB-CB 4.01Å; C1477-V1658 WeakPolarHBondContact CA-O 3.19Å; C1477-C1659 HydrophobicContact CB-CB 4.14Å; C1477-C1659 WeakPolarHBondContact CB-SG 3.44Å; C1477-C1659 WeakPolarHBondContact SG-CB 2.92Å; C1477-C1659 CovalentContact SG-SG 2.04Å; C1477-C1659 PolarHBondContact SG-SG 2.81Å |
| 1478 | V | 92.6 | Very high | 79.9 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.03 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.3 | 174.2 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | I1462 A1464 Y1518 L1527 A1657 V1658 | I1462-V1478 HydrophobicContact CD1-CG1 4.14Å; I1462-V1478 HydrophobicContact CD1-CG2 3.8Å; A1464-V1478 HydrophobicContact CB-CG2 4.32Å; V1478-Y1518 HydrophobicContact CG1-CD1 4.45Å; V1478-Y1518 WeakPolarHBondContact O-CD1 3.22Å; V1478-Y1518 WeakPolarHBondContact O-CE1 3.36Å; V1478-L1527 HydrophobicContact CG2-CD1 3.53Å; V1478-A1657 CarbonylContact O-C 3.14Å; V1478-A1657 VanDerWaalsContact O-CA 3.24Å; V1478-A1657 WeakPolarHBondContact O-CA 3.49Å; V1478-A1657 WeakPolarHBondContact O-CB 3Å; V1478-V1658 HydrophobicContact CB-CG1 4.21Å; V1478-V1658 PolarHBondContact N-O 3.34Å; V1478-V1658 PolarHBondContact O-N 2.75Å |
| 1479 | D | 87.2 | Confident | 79.1 | Confident | 54 Ų | 54 | 56 Ų | 56 | 29% | 0.289 | 32% | 0.323 | S | S | . | . | trans | -71.3 | 150.7 | 172.2 | -70.6 | -61.9 | 0 | 0 | 0 | 110.9 | Q1484 | D1479-Q1484 PolarHBondContact OD1-NE2 3.01Š| ||
| 1480 | S | 80.5 | Confident | 78.5 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 11% | 0.112 | 31% | 0.308 | C | S | . | . | trans | -62.2 | 158.2 | 165.2 | 58.5 | 0 | 0 | 0 | 0 | 110.1 | M1482 N1517 Y1518 | S1480-M1482 PolarHBondContact O-N 2.91Å; S1480-N1517 CarbonylContact C-O 3.5Å; S1480-N1517 WeakPolarHBondContact CA-O 3.44Å; S1480-Y1518 VanDerWaalsContact N-CE1 3.3Å | ||
| 1481 | S | 67.6 | Low | 77.7 | Confident | 82 Ų | 82 | 46.7 Ų | 46.7 | 57% | 0.573 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -64.5 | -9.3 | 177.4 | 70.1 | 0 | 0 | 0 | 0 | 115.1 | N1517 | S1481-N1517 WeakPolarHBondContact CB-OD1 3.41Å; S1481-N1517 PolarHBondContact N-O 3.12Å; S1481-N1517 WeakPolarHBondContact OG-CB 3.28Å; S1481-N1517 PolarHBondContact OG-ND2 3.11Å; S1481-N1517 PolarHBondContact OG-OD1 3.17Å |
| 1482 | M | 64.5 | Low | 76.8 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -72.9 | 148.6 | 170.2 | -77.8 | -145.2 | -54.6 | 0 | 0 | 112.3 | S1480 Q1484 I1486 V1488 L1513 | S1480-M1482 PolarHBondContact O-N 2.91Å; M1482-Q1484 PolarHBondContact O-N 3.15Å; M1482-I1486 HydrophobicContact CE-CB 4.36Å; M1482-I1486 HydrophobicContact SD-CB 3.95Å; M1482-I1486 HydrophobicContact SD-CD1 4.47Å; M1482-I1486 HydrophobicContact SD-CG2 3.96Å; M1482-V1488 HydrophobicContact CE-CG2 4.42Å; M1482-V1488 HydrophobicContact SD-CG2 4.04Å; M1482-L1513 HydrophobicContact CE-CD1 3.76Å; M1482-L1513 HydrophobicContact CE-CD2 3.55Å; M1482-L1513 HydrophobicContact CE-CG 4.3Å; M1482-L1513 HydrophobicContact CG-CD1 3.66Å; M1482-L1513 HydrophobicContact SD-CD1 3.42Å; M1482-L1513 WeakPolarHBondContact SD-CD1 3.37Å; M1482-L1513 HydrophobicContact SD-CD2 4.24Å; M1482-L1513 HydrophobicContact SD-CG 4.41Å |
| 1483 | D | 56.5 | Low | 75.4 | Confident | 127 Ų | 127 | 44.2 Ų | 44.2 | 68% | 0.679 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 127.6 | 161 | -61.7 | -55.3 | 0 | 0 | 0 | 110.2 | G1485 I1486 | D1483-G1485 PolarHBondContact O-N 3.41Å; D1483-I1486 HydrophobicContact CB-CD1 3.88Å; D1483-I1486 HydrophobicContact CB-CG1 4.14Å; D1483-I1486 PolarHBondContact O-N 3.03Å |
| 1484 | Q | 55.3 | Low | 74.2 | Confident | 141 Ų | 141 | 46.8 Ų | 46.8 | 66% | 0.659 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 124.3 | 174.4 | -70.4 | -178.5 | -8.2 | 0 | 0 | 110.1 | D1479 M1482 | D1479-Q1484 PolarHBondContact OD1-NE2 3.01Å; M1482-Q1484 PolarHBondContact O-N 3.15Å |
| 1485 | G | 54.8 | Low | 72.6 | Confident | 49 Ų | 49 | 53.1 Ų | 53.1 | 51% | 0.505 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | 2.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116 | D1483 L1487 | D1483-G1485 PolarHBondContact O-N 3.41Å; G1485-L1487 PolarHBondContact O-N 3.46Å |
| 1486 | I | 60.2 | Low | 70.8 | Confident | 77 Ų | 77 | 56.2 Ų | 56.2 | 40% | 0.395 | 33% | 0.331 | S | S | . | . | trans | -69.1 | 98.7 | 165.3 | -64.3 | 174.2 | 0 | 0 | 0 | 109.4 | M1482 D1483 V1488 | M1482-I1486 HydrophobicContact CE-CB 4.36Å; M1482-I1486 HydrophobicContact SD-CB 3.95Å; M1482-I1486 HydrophobicContact SD-CD1 4.47Å; M1482-I1486 HydrophobicContact SD-CG2 3.96Å; D1483-I1486 HydrophobicContact CB-CD1 3.88Å; D1483-I1486 HydrophobicContact CB-CG1 4.14Å; D1483-I1486 PolarHBondContact O-N 3.03Å; I1486-V1488 HydrophobicContact CG2-CG2 3.94Å; I1486-V1488 PolarHBondContact O-N 2.81Å | ||
| 1487 | L | 68.2 | Low | 69.1 | Low | 80 Ų | 80 | 57.4 Ų | 57.4 | 42% | 0.419 | 34% | 0.338 | S | S | . | . | trans | -78.9 | 78.4 | 178.8 | -74.3 | 167.6 | 0 | 0 | 0 | 111.4 | G1485 T1489 L1541 N1654 | G1485-L1487 PolarHBondContact O-N 3.46Å; L1487-T1489 PolarHBondContact O-N 2.89Å; L1487-T1489 VanDerWaalsContact O-N 3.17Å; L1487-T1489 PolarHBondContact O-OG1 3.12Å; L1487-L1541 HydrophobicContact CD1-CD2 4.15Å; L1487-L1541 HydrophobicContact CD2-CD1 3.76Å; L1487-L1541 HydrophobicContact CD2-CD2 3.89Å; L1487-L1541 HydrophobicContact CD2-CG 4.34Å; L1487-N1654 HydrophobicContact CD2-CB 4.48Å | ||
| 1488 | V | 70.8 | Confident | 67.7 | Low | 21 Ų | 21 | 58.6 Ų | 58.6 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 115 | 173.8 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | M1482 I1486 Y1490 V1506 L1513 S1652 V1653 | M1482-V1488 HydrophobicContact CE-CG2 4.42Å; M1482-V1488 HydrophobicContact SD-CG2 4.04Å; I1486-V1488 HydrophobicContact CG2-CG2 3.94Å; I1486-V1488 PolarHBondContact O-N 2.81Å; V1488-Y1490 HydrophobicContact CB-CE2 4.43Å; V1488-Y1490 HydrophobicContact CG1-CE1 3.96Å; V1488-Y1490 HydrophobicContact CG1-CE2 4.2Å; V1488-Y1490 WeakPolarHBondContact CG1-OH 3.32Å; V1488-Y1490 WeakPolarHBondContact O-CE2 3.45Å; V1488-V1506 HydrophobicContact CG1-CB 4.46Å; V1488-V1506 HydrophobicContact CG1-CG1 3.65Å; V1488-V1506 HydrophobicContact CG1-CG2 3.86Å; V1488-L1513 HydrophobicContact CG1-CB 4.42Å; V1488-L1513 HydrophobicContact CG2-CB 4.3Å; V1488-S1652 VanDerWaalsContact O-CA 3.31Å; V1488-S1652 WeakPolarHBondContact O-CA 3.48Å; V1488-V1653 PolarHBondContact O-N 3.22Å |
| 1489 | T | 77.9 | Confident | 67.1 | Low | 28 Ų | 28 | 61.2 Ų | 61.2 | 17% | 0.172 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 116 | -170.1 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | L1487 V1506 M1507 L1651 S1652 | L1487-T1489 PolarHBondContact O-N 2.89Å; L1487-T1489 VanDerWaalsContact O-N 3.17Å; L1487-T1489 PolarHBondContact O-OG1 3.12Å; T1489-V1506 WeakPolarHBondContact O-CA 3Å; T1489-M1507 HydrophobicContact CG2-SD 3.68Å; T1489-M1507 PolarHBondContact O-N 3.48Å; T1489-L1651 CarbonylContact C-O 3.6Å; T1489-L1651 WeakPolarHBondContact CA-O 3.39Å; T1489-S1652 PolarHBondContact OG1-OG 3.35Å |
| 1490 | Y | 78.7 | Confident | 67.1 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 145.6 | -179 | -52.3 | -81.4 | 0 | 0 | 0 | 112.2 | V1488 Q1501 L1504 R1505 V1506 L1513 F1638 S1650 L1651 V1653 | V1488-Y1490 HydrophobicContact CB-CE2 4.43Å; V1488-Y1490 HydrophobicContact CG1-CE1 3.96Å; V1488-Y1490 HydrophobicContact CG1-CE2 4.2Å; V1488-Y1490 WeakPolarHBondContact CG1-OH 3.32Å; V1488-Y1490 WeakPolarHBondContact O-CE2 3.45Å; Y1490-Q1501 HydrophobicContact CD1-CG 4.26Å; Y1490-Q1501 HydrophobicContact CE1-CG 3.57Å; Y1490-Q1501 HydrophobicContact CE2-CG 4.15Å; Y1490-Q1501 PolarHBondContact OH-NE2 2.94Å; Y1490-L1504 HydrophobicContact CD1-CB 3.89Å; Y1490-L1504 HydrophobicContact CD1-CD1 4.45Å; Y1490-L1504 HydrophobicContact CG-CB 4.35Å; Y1490-L1504 HydrophobicContact CG-CD1 4.24Å; Y1490-R1505 CarbonylContact C-O 3.56Å; Y1490-R1505 WeakPolarHBondContact CA-O 3.46Å; Y1490-V1506 HydrophobicContact CD1-CG2 3.75Å; Y1490-V1506 HydrophobicContact CE1-CG2 3.61Å; Y1490-L1513 WeakPolarHBondContact OH-CB 3.02Å; Y1490-F1638 HydrophobicContact CD2-CZ 4.33Å; Y1490-F1638 AromaticContact CE2-CZ 3.93Å; Y1490-F1638 HydrophobicContact CE2-CZ 3.93Å; Y1490-S1650 WeakPolarHBondContact O-CA 3.16Å; Y1490-L1651 VanDerWaalsContact CD2-O 3.31Å; Y1490-L1651 WeakPolarHBondContact CD2-O 3.46Å; Y1490-L1651 PolarHBondContact N-O 3.39Å; Y1490-L1651 PolarHBondContact O-N 2.73Å; Y1490-L1651 VanDerWaalsContact O-N 3.11Å; Y1490-V1653 HydrophobicContact CE2-CB 4.43Å; Y1490-V1653 HydrophobicContact CE2-CG1 3.82Å |
| 1491 | L | 73.7 | Confident | 67.4 | Low | 48 Ų | 48 | 60.2 Ų | 60.2 | 25% | 0.251 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 156 | 166.7 | -61.8 | 175.4 | 0 | 0 | 0 | 109.4 | P1493 R1505 M1507 C1649 | L1491-P1493 VanDerWaalsContact C-CD 3.47Å; L1491-P1493 VanDerWaalsContact O-CD 3.25Å; L1491-P1493 WeakPolarHBondContact O-CD 3.32Å; L1491-R1505 PolarHBondContact N-O 3.35Å; L1491-R1505 PolarHBondContact O-N 2.7Å; L1491-M1507 HydrophobicContact CD1-CG 3.56Å; L1491-M1507 HydrophobicContact CD1-SD 3.85Å; L1491-M1507 HydrophobicContact CD2-CG 4.48Å; L1491-M1507 HydrophobicContact CD2-SD 3.86Å; L1491-M1507 HydrophobicContact CG-CG 3.77Å; L1491-M1507 HydrophobicContact CG-SD 3.82Å; L1491-C1649 VanDerWaalsContact CD2-O 3.28Å; L1491-C1649 WeakPolarHBondContact CD2-O 3.31Å |
| 1492 | K | 68 | Low | 68.1 | Low | 40 Ų | 40 | 58.9 Ų | 58.9 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | trans | -111.2 | 86 | 164.7 | -175 | 165.8 | -176.8 | 140.6 | 0 | 110.9 | D1497 S1498 L1504 F1643 | K1492-D1497 WeakPolarHBondContact CE-O 3.49Å; K1492-D1497 HydrophobicContact CG-CB 4.37Å; K1492-D1497 PolarHBondContact NZ-O 3.41Å; K1492-S1498 PolarHBondContact NZ-O 3.17Å; K1492-S1498 VanDerWaalsContact NZ-O 3.17Å; K1492-L1504 HydrophobicContact CB-CD2 4.35Å; K1492-F1643 HydrophobicContact CB-CB 3.7Å; K1492-F1643 HydrophobicContact CB-CD1 3.87Å; K1492-F1643 HydrophobicContact CB-CD2 3.49Å; K1492-F1643 VanDerWaalsContact CB-CD2 3.49Å; K1492-F1643 HydrophobicContact CB-CE1 4.35Å; K1492-F1643 HydrophobicContact CB-CE2 3.98Å; K1492-F1643 HydrophobicContact CB-CG 3.42Å; K1492-F1643 VanDerWaalsContact CB-CG 3.42Å; K1492-F1643 HydrophobicContact CB-CZ 4.4Å; K1492-F1643 HydrophobicContact CD-CB 4.1Å; K1492-F1643 HydrophobicContact CD-CD2 3.78Å; K1492-F1643 HydrophobicContact CD-CG 4.22Å; K1492-F1643 HydrophobicContact CG-CB 4.42Å; K1492-F1643 HydrophobicContact CG-CD2 4.26Å; K1492-F1643 HydrophobicContact CG-CG 4.43Å | ||
| 1493 | P | 57.4 | Low | 68.8 | Low | 56 Ų | 56 | 62.7 Ų | 62.7 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | trans | -82.3 | -17 | -172.7 | 29.7 | -34.4 | 0 | 0 | 0 | 115.8 | L1491 D1497 R1505 | L1491-P1493 VanDerWaalsContact C-CD 3.47Å; L1491-P1493 VanDerWaalsContact O-CD 3.25Å; L1491-P1493 WeakPolarHBondContact O-CD 3.32Å; P1493-D1497 WeakPolarHBondContact CD-OD2 3.21Å; P1493-D1497 VanDerWaalsContact CG-OD2 3.3Å; P1493-D1497 WeakPolarHBondContact CG-OD2 3.39Å; P1493-R1505 HydrophobicContact CG-CB 4.1Å; P1493-R1505 HydrophobicContact CG-CG 3.81Å; P1493-R1505 VanDerWaalsContact CG-CZ 3.46Å | ||
| 1494 | L | 64.4 | Low | 69.8 | Low | 80 Ų | 80 | 57 Ų | 57 | 42% | 0.419 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -126.1 | 151.4 | 172.5 | -62.2 | 176.9 | 0 | 0 | 0 | 113.8 | S1496 D1497 R1505 | L1494-S1496 WeakPolarHBondContact CB-OG 3.4Å; L1494-S1496 PolarHBondContact O-N 2.83Å; L1494-D1497 PolarHBondContact N-OD2 2.88Å; L1494-D1497 WeakPolarHBondContact O-CB 3.24Å; L1494-D1497 PolarHBondContact O-N 3.13Å; L1494-D1497 VanDerWaalsContact O-N 3.12Å; L1494-R1505 VanDerWaalsContact CG-NH2 3.31Å |
| 1495 | P | 62.6 | Low | 70.8 | Confident | 135 Ų | 135 | 56 Ų | 56 | 88% | 0.877 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21.1 | 169.5 | -22.4 | 33.9 | 0 | 0 | 0 | 114.5 | ||
| 1496 | S | 56.7 | Low | 71.9 | Confident | 97 Ų | 97 | 54.7 Ų | 54.7 | 68% | 0.678 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -19.8 | 176.2 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | L1494 | L1494-S1496 WeakPolarHBondContact CB-OG 3.4Å; L1494-S1496 PolarHBondContact O-N 2.83Å |
| 1497 | D | 60.1 | Low | 72.3 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 13% | 0.134 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -67.3 | 139.3 | -177.7 | -62 | -20.1 | 0 | 0 | 0 | 108.3 | K1492 P1493 L1494 R1505 | K1492-D1497 WeakPolarHBondContact CE-O 3.49Å; K1492-D1497 HydrophobicContact CG-CB 4.37Å; K1492-D1497 PolarHBondContact NZ-O 3.41Å; P1493-D1497 WeakPolarHBondContact CD-OD2 3.21Å; P1493-D1497 VanDerWaalsContact CG-OD2 3.3Å; P1493-D1497 WeakPolarHBondContact CG-OD2 3.39Å; L1494-D1497 PolarHBondContact N-OD2 2.88Å; L1494-D1497 WeakPolarHBondContact O-CB 3.24Å; L1494-D1497 PolarHBondContact O-N 3.13Å; L1494-D1497 VanDerWaalsContact O-N 3.12Å; D1497-R1505 IonicContact OD1-NH2 3.95Å; D1497-R1505 PolarHBondContact OD1-NH2 2.95Å; D1497-R1505 IonicContact OD2-CZ 3.46Å; D1497-R1505 IonicContact OD2-NE 3.69Å; D1497-R1505 IonicContact OD2-NH2 2.66Å; D1497-R1505 PolarHBondContact OD2-NH2 3.42Å |
| 1498 | S | 64.6 | Low | 72.2 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | trans | -64.4 | 170.1 | -177.2 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | K1492 W1500 Q1503 L1504 | K1492-S1498 PolarHBondContact NZ-O 3.17Å; K1492-S1498 VanDerWaalsContact NZ-O 3.17Å; S1498-W1500 PolarHBondContact OG-N 2.7Å; S1498-Q1503 PolarHBondContact OG-OE1 3.27Å; S1498-L1504 WeakPolarHBondContact O-CD2 3.49Å | ||
| 1499 | E | 79.2 | Confident | 71.8 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 28% | 0.276 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -93.2 | -11.6 | 173.7 | -69.2 | 179.1 | 164 | 0 | 0 | 111.8 | K1639 V1640 | E1499-K1639 HydrophobicContact CB-CD 4.36Å; E1499-K1639 HydrophobicContact CB-CG 3.67Å; E1499-K1639 CarbonylContact O-C 3.54Å; E1499-K1639 VanDerWaalsContact O-CA 3.28Å; E1499-K1639 WeakPolarHBondContact O-CA 3.45Å; E1499-K1639 WeakPolarHBondContact OE2-CE 3.41Å; E1499-K1639 IonicContact OE2-NZ 2.76Å; E1499-K1639 PolarHBondContact OE2-NZ 2.84Å; E1499-V1640 WeakPolarHBondContact CB-O 3.39Å; E1499-V1640 PolarHBondContact O-N 3.16Å |
| 1500 | W | 87.1 | Confident | 70.9 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 18% | 0.178 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -80 | 137.8 | 176.4 | -69.1 | 107.5 | 0 | 0 | 0 | 112.2 | S1498 S1502 Q1503 L1504 L1567 M1573 D1637 F1638 K1639 | S1498-W1500 PolarHBondContact OG-N 2.7Å; W1500-S1502 VanDerWaalsContact C-N 3.29Å; W1500-S1502 PolarHBondContact O-N 3.5Å; W1500-Q1503 PolarHBondContact O-N 2.78Å; W1500-L1504 PolarHBondContact O-N 2.84Å; W1500-L1567 HydrophobicContact CH2-CB 4.26Å; W1500-L1567 HydrophobicContact CZ3-CB 3.86Å; W1500-M1573 HydrophobicContact CH2-CE 4.12Å; W1500-M1573 HydrophobicContact CH2-CG 4.19Å; W1500-M1573 HydrophobicContact CH2-SD 4.21Å; W1500-M1573 HydrophobicContact CZ2-CE 3.69Å; W1500-M1573 HydrophobicContact CZ2-SD 4.09Å; W1500-D1637 HydrophobicContact CE3-CB 4.01Å; W1500-D1637 HydrophobicContact CZ3-CB 4.34Å; W1500-F1638 WeakPolarHBondContact CA-O 3.49Å; W1500-K1639 HydrophobicContact CD2-CB 3.9Å; W1500-K1639 HydrophobicContact CD2-CD 4.49Å; W1500-K1639 HydrophobicContact CD2-CG 4.03Å; W1500-K1639 HydrophobicContact CE3-CB 3.73Å; W1500-K1639 HydrophobicContact CE3-CG 4.38Å; W1500-K1639 HydrophobicContact CG-CG 4.41Å; W1500-K1639 HydrophobicContact CH2-CB 3.94Å; W1500-K1639 HydrophobicContact CZ2-CB 4.09Å; W1500-K1639 HydrophobicContact CZ2-CD 3.97Å; W1500-K1639 HydrophobicContact CZ2-CG 4.29Å; W1500-K1639 HydrophobicContact CZ3-CB 3.75Å |
| 1501 | Q | 86.5 | Confident | 70.2 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.009 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -61.1 | -34.3 | -174.9 | 169.4 | -83.2 | -7.2 | 0 | 0 | 112.9 | Y1490 Q1503 L1504 L1513 D1637 F1638 | Y1490-Q1501 HydrophobicContact CD1-CG 4.26Å; Y1490-Q1501 HydrophobicContact CE1-CG 3.57Å; Y1490-Q1501 HydrophobicContact CE2-CG 4.15Å; Y1490-Q1501 PolarHBondContact OH-NE2 2.94Å; Q1501-Q1503 PolarHBondContact O-N 2.94Å; Q1501-L1504 HydrophobicContact CB-CD1 4.49Å; Q1501-L1504 PolarHBondContact O-N 2.8Å; Q1501-L1504 VanDerWaalsContact O-N 3.16Å; Q1501-L1513 PolarHBondContact NE2-O 2.9Å; Q1501-D1637 WeakPolarHBondContact CA-OD1 3.26Å; Q1501-D1637 WeakPolarHBondContact CB-OD1 3.36Å; Q1501-D1637 PolarHBondContact N-OD1 3.35Å; Q1501-F1638 HydrophobicContact CB-CD1 4.03Å; Q1501-F1638 HydrophobicContact CB-CD2 4.02Å; Q1501-F1638 HydrophobicContact CB-CE1 3.83Å; Q1501-F1638 HydrophobicContact CB-CE2 3.8Å; Q1501-F1638 HydrophobicContact CB-CG 4.13Å; Q1501-F1638 HydrophobicContact CB-CZ 3.72Å; Q1501-F1638 HydrophobicContact CG-CD1 4.27Å; Q1501-F1638 HydrophobicContact CG-CE1 3.64Å; Q1501-F1638 HydrophobicContact CG-CE2 4.18Å; Q1501-F1638 HydrophobicContact CG-CZ 3.59Å; Q1501-F1638 PolarHBondContact N-O 2.63Å |
| 1502 | S | 83 | Confident | 70 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 39% | 0.385 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -59 | -11.8 | 174.7 | 57.2 | 0 | 0 | 0 | 0 | 114.2 | W1500 D1637 | W1500-S1502 VanDerWaalsContact C-N 3.29Å; W1500-S1502 PolarHBondContact O-N 3.5Å; S1502-D1637 WeakPolarHBondContact CB-OD2 3.47Å; S1502-D1637 PolarHBondContact N-OD1 3.04Å; S1502-D1637 PolarHBondContact N-OD2 3.48Å; S1502-D1637 PolarHBondContact OG-OD2 2.65Å |
| 1503 | Q | 78.6 | Confident | 70.3 | Confident | 117 Ų | 117 | 69.6 Ų | 69.6 | 55% | 0.547 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -129.3 | 5.1 | -176.4 | -68 | 168.3 | 34.3 | 0 | 0 | 112.8 | S1498 W1500 Q1501 | S1498-Q1503 PolarHBondContact OG-OE1 3.27Å; W1500-Q1503 PolarHBondContact O-N 2.78Å; Q1501-Q1503 PolarHBondContact O-N 2.94Å |
| 1504 | L | 77.8 | Confident | 71.2 | Confident | 8 Ų | 8 | 70.9 Ų | 70.9 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -81.1 | 150.6 | 170.3 | -68.6 | 176.7 | 0 | 0 | 0 | 110.6 | Y1490 K1492 S1498 W1500 Q1501 V1640 F1643 | Y1490-L1504 HydrophobicContact CD1-CB 3.89Å; Y1490-L1504 HydrophobicContact CD1-CD1 4.45Å; Y1490-L1504 HydrophobicContact CG-CB 4.35Å; Y1490-L1504 HydrophobicContact CG-CD1 4.24Å; K1492-L1504 HydrophobicContact CB-CD2 4.35Å; S1498-L1504 WeakPolarHBondContact O-CD2 3.49Å; W1500-L1504 PolarHBondContact O-N 2.84Å; Q1501-L1504 HydrophobicContact CB-CD1 4.49Å; Q1501-L1504 PolarHBondContact O-N 2.8Å; Q1501-L1504 VanDerWaalsContact O-N 3.16Å; L1504-V1640 HydrophobicContact CD1-CG2 4.14Å; L1504-F1643 HydrophobicContact CD1-CE2 3.71Å; L1504-F1643 HydrophobicContact CD1-CZ 3.79Å; L1504-F1643 HydrophobicContact CD2-CD2 4.46Å; L1504-F1643 HydrophobicContact CD2-CE2 3.66Å; L1504-F1643 HydrophobicContact CD2-CZ 4.18Å; L1504-F1643 HydrophobicContact CG-CE2 4.37Å |
| 1505 | R | 75.6 | Confident | 72 | Confident | 119 Ų | 119 | 67.2 Ų | 67.2 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 134 | 176.8 | -57.3 | -157.7 | -152.9 | 151.8 | 11 | 110.8 | Y1490 L1491 P1493 L1494 D1497 | Y1490-R1505 CarbonylContact C-O 3.56Å; Y1490-R1505 WeakPolarHBondContact CA-O 3.46Å; L1491-R1505 PolarHBondContact N-O 3.35Å; L1491-R1505 PolarHBondContact O-N 2.7Å; P1493-R1505 HydrophobicContact CG-CB 4.1Å; P1493-R1505 HydrophobicContact CG-CG 3.81Å; P1493-R1505 VanDerWaalsContact CG-CZ 3.46Å; L1494-R1505 VanDerWaalsContact CG-NH2 3.31Å; D1497-R1505 IonicContact OD1-NH2 3.95Å; D1497-R1505 PolarHBondContact OD1-NH2 2.95Å; D1497-R1505 IonicContact OD2-CZ 3.46Å; D1497-R1505 IonicContact OD2-NE 3.69Å; D1497-R1505 IonicContact OD2-NH2 2.66Å; D1497-R1505 PolarHBondContact OD2-NH2 3.42Å |
| 1506 | V | 77.9 | Confident | 72.7 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 13% | 0.133 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 137.4 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | V1488 T1489 Y1490 | V1488-V1506 HydrophobicContact CG1-CB 4.46Å; V1488-V1506 HydrophobicContact CG1-CG1 3.65Å; V1488-V1506 HydrophobicContact CG1-CG2 3.86Å; T1489-V1506 WeakPolarHBondContact O-CA 3Å; Y1490-V1506 HydrophobicContact CD1-CG2 3.75Å; Y1490-V1506 HydrophobicContact CE1-CG2 3.61Å |
| 1507 | M | 69 | Low | 73.8 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 40% | 0.404 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 124.6 | 164.5 | -72.4 | 171.1 | 54 | 0 | 0 | 109.8 | T1489 L1491 S1509 | T1489-M1507 HydrophobicContact CG2-SD 3.68Å; T1489-M1507 PolarHBondContact O-N 3.48Å; L1491-M1507 HydrophobicContact CD1-CG 3.56Å; L1491-M1507 HydrophobicContact CD1-SD 3.85Å; L1491-M1507 HydrophobicContact CD2-CG 4.48Å; L1491-M1507 HydrophobicContact CD2-SD 3.86Å; L1491-M1507 HydrophobicContact CG-CG 3.77Å; L1491-M1507 HydrophobicContact CG-SD 3.82Å; M1507-S1509 VanDerWaalsContact C-N 3.29Å; M1507-S1509 PolarHBondContact O-N 3.44Å |
| 1508 | N | 67.1 | Low | 74.8 | Confident | 171 Ų | 171 | 63 Ų | 63 | 91% | 0.914 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 13.7 | 176.9 | -46.5 | -28.6 | 0 | 0 | 0 | 116.2 | ||
| 1509 | S | 62.3 | Low | 75.4 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | trans | -135.1 | 149.1 | 165.9 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | M1507 T1511 | M1507-S1509 VanDerWaalsContact C-N 3.29Å; M1507-S1509 PolarHBondContact O-N 3.44Å; S1509-T1511 WeakPolarHBondContact CB-O 3.48Å; S1509-T1511 PolarHBondContact OG-N 2.9Å; S1509-T1511 PolarHBondContact OG-O 2.85Å; S1509-T1511 PolarHBondContact OG-OG1 2.93Å | ||
| 1510 | T | 58.7 | Low | 75.4 | Confident | 150 Ų | 150 | 62.6 Ų | 62.6 | 92% | 0.92 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -83.9 | -21.4 | 170.1 | 46.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1511 | T | 64.9 | Low | 75.3 | Confident | 77 Ų | 77 | 65.6 Ų | 65.6 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -110.4 | 142.4 | 179 | 50 | 0 | 0 | 0 | 0 | 111.7 | S1509 | S1509-T1511 WeakPolarHBondContact CB-O 3.48Å; S1509-T1511 PolarHBondContact OG-N 2.9Å; S1509-T1511 PolarHBondContact OG-O 2.85Å; S1509-T1511 PolarHBondContact OG-OG1 2.93Å |
| 1512 | P | 69.5 | Low | 75.3 | Confident | 49 Ų | 49 | 69 Ų | 69 | 32% | 0.318 | 39% | 0.386 | S | S | . | . | trans | -64.5 | 161 | 163.5 | 31 | -34.9 | 0 | 0 | 0 | 110.6 | D1514 | P1512-D1514 PolarHBondContact O-N 2.8Š| ||
| 1513 | L | 72.4 | Confident | 75.7 | Confident | 24 Ų | 24 | 66.3 Ų | 66.3 | 13% | 0.126 | 37% | 0.367 | C | S | . | . | trans | -61.4 | 128.7 | 169.8 | 172.4 | 55.6 | 0 | 0 | 0 | 110 | M1482 V1488 Y1490 Q1501 L1515 V1653 V1655 | M1482-L1513 HydrophobicContact CE-CD1 3.76Å; M1482-L1513 HydrophobicContact CE-CD2 3.55Å; M1482-L1513 HydrophobicContact CE-CG 4.3Å; M1482-L1513 HydrophobicContact CG-CD1 3.66Å; M1482-L1513 HydrophobicContact SD-CD1 3.42Å; M1482-L1513 WeakPolarHBondContact SD-CD1 3.37Å; M1482-L1513 HydrophobicContact SD-CD2 4.24Å; M1482-L1513 HydrophobicContact SD-CG 4.41Å; V1488-L1513 HydrophobicContact CG1-CB 4.42Å; V1488-L1513 HydrophobicContact CG2-CB 4.3Å; Y1490-L1513 WeakPolarHBondContact OH-CB 3.02Å; Q1501-L1513 PolarHBondContact NE2-O 2.9Å; L1513-L1515 HydrophobicContact CB-CD1 4.23Å; L1513-L1515 HydrophobicContact CD2-CD1 4.05Å; L1513-L1515 HydrophobicContact CD2-CG 4.4Å; L1513-L1515 HydrophobicContact CG-CD1 3.88Å; L1513-L1515 HydrophobicContact CG-CG 4.42Å; L1513-L1515 PolarHBondContact O-N 2.86Å; L1513-V1653 HydrophobicContact CD2-CG1 4.18Å; L1513-V1655 HydrophobicContact CD2-CG2 3.89Å | ||
| 1514 | D | 77.1 | Confident | 76.2 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | trans | -77.4 | 104.7 | 163.9 | 177.5 | 18 | 0 | 0 | 0 | 110.3 | P1512 H1516 | P1512-D1514 PolarHBondContact O-N 2.8Å; D1514-H1516 VanDerWaalsContact C-N 3.27Å; D1514-H1516 PolarHBondContact O-N 2.81Å; D1514-H1516 WeakPolarHBondContact OD1-CA 3.46Å; D1514-H1516 WeakPolarHBondContact OD1-CB 3.37Å; D1514-H1516 IonicContact OD1-CD2 3.2Å; D1514-H1516 PolarHBondContact OD1-CD2 2.8Å; D1514-H1516 VanDerWaalsContact OD1-CD2 3.29Å; D1514-H1516 IonicContact OD1-CG 2.68Å; D1514-H1516 PolarHBondContact OD1-N 2.85Å | ||
| 1515 | L | 82 | Confident | 76.8 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -6.3 | 174.2 | -78.8 | 84 | 0 | 0 | 0 | 113 | L1513 N1517 Y1518 F1638 V1655 | L1513-L1515 HydrophobicContact CB-CD1 4.23Å; L1513-L1515 HydrophobicContact CD2-CD1 4.05Å; L1513-L1515 HydrophobicContact CD2-CG 4.4Å; L1513-L1515 HydrophobicContact CG-CD1 3.88Å; L1513-L1515 HydrophobicContact CG-CG 4.42Å; L1513-L1515 PolarHBondContact O-N 2.86Å; L1515-N1517 VanDerWaalsContact C-N 3.34Å; L1515-Y1518 WeakPolarHBondContact O-CE2 3.33Å; L1515-F1638 HydrophobicContact CD2-CD1 4.25Å; L1515-V1655 HydrophobicContact CD2-CG2 4.47Å |
| 1516 | H | 77.6 | Confident | 77.6 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -20 | 176 | -63 | -106.8 | 0 | 0 | 0 | 113 | D1514 Y1518 | D1514-H1516 VanDerWaalsContact C-N 3.27Å; D1514-H1516 PolarHBondContact O-N 2.81Å; D1514-H1516 WeakPolarHBondContact OD1-CA 3.46Å; D1514-H1516 WeakPolarHBondContact OD1-CB 3.37Å; D1514-H1516 IonicContact OD1-CD2 3.2Å; D1514-H1516 PolarHBondContact OD1-CD2 2.8Å; D1514-H1516 VanDerWaalsContact OD1-CD2 3.29Å; D1514-H1516 IonicContact OD1-CG 2.68Å; D1514-H1516 PolarHBondContact OD1-N 2.85Å; H1516-Y1518 PolarHBondContact O-N 2.86Å |
| 1517 | N | 79.2 | Confident | 78.3 | Confident | 65 Ų | 65 | 59.1 Ų | 59.1 | 35% | 0.348 | 34% | 0.34 | S | S | . | . | trans | -81 | 79.6 | -163.6 | -157.8 | -23.1 | 0 | 0 | 0 | 114.2 | S1480 S1481 L1515 | S1480-N1517 CarbonylContact C-O 3.5Å; S1480-N1517 WeakPolarHBondContact CA-O 3.44Å; S1481-N1517 WeakPolarHBondContact CB-OD1 3.41Å; S1481-N1517 PolarHBondContact N-O 3.12Å; S1481-N1517 WeakPolarHBondContact OG-CB 3.28Å; S1481-N1517 PolarHBondContact OG-ND2 3.11Å; S1481-N1517 PolarHBondContact OG-OD1 3.17Å; L1515-N1517 VanDerWaalsContact C-N 3.34Å | ||
| 1518 | Y | 79.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -112 | 33.2 | 174.3 | -75.3 | -87.6 | 0 | 0 | 0 | 112.1 | V1478 S1480 L1515 H1516 V1524 Q1536 P1634 V1655 G1656 V1658 | V1478-Y1518 HydrophobicContact CG1-CD1 4.45Å; V1478-Y1518 WeakPolarHBondContact O-CD1 3.22Å; V1478-Y1518 WeakPolarHBondContact O-CE1 3.36Å; S1480-Y1518 VanDerWaalsContact N-CE1 3.3Å; L1515-Y1518 WeakPolarHBondContact O-CE2 3.33Å; H1516-Y1518 PolarHBondContact O-N 2.86Å; Y1518-V1524 WeakPolarHBondContact O-CG2 3.15Å; Y1518-Q1536 PolarHBondContact OH-NE2 3.23Å; Y1518-P1634 HydrophobicContact CD2-CB 3.71Å; Y1518-P1634 HydrophobicContact CD2-CG 3.59Å; Y1518-P1634 HydrophobicContact CE2-CB 3.46Å; Y1518-P1634 VanDerWaalsContact CE2-CB 3.46Å; Y1518-P1634 HydrophobicContact CE2-CG 3.89Å; Y1518-P1634 HydrophobicContact CG-CG 4.36Å; Y1518-V1655 WeakPolarHBondContact OH-CG1 3.18Å; Y1518-G1656 PolarHBondContact OH-O 3.26Å; Y1518-V1658 HydrophobicContact CD1-CB 4.36Å; Y1518-V1658 HydrophobicContact CD1-CG1 3.55Å; Y1518-V1658 HydrophobicContact CE1-CB 4.15Å; Y1518-V1658 HydrophobicContact CE1-CG1 3.83Å; Y1518-V1658 HydrophobicContact CG-CG1 4Å |
| 1519 | G | 77.5 | Confident | 80.5 | Confident | 38 Ų | 38 | 54 Ų | 54 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 85.9 | -165.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1520 | S | 80.6 | Confident | 81.8 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | trans | -70.1 | 140.7 | -173.7 | 86.7 | 0 | 0 | 0 | 0 | 111.8 | S1522 Q1523 V1524 | S1520-S1522 PolarHBondContact O-N 3.19Å; S1520-S1522 VanDerWaalsContact O-N 3.13Å; S1520-Q1523 PolarHBondContact O-N 2.59Å; S1520-Q1523 WeakPolarHBondContact OG-CG 3.35Å; S1520-Q1523 PolarHBondContact OG-N 3.09Å; S1520-V1524 PolarHBondContact O-N 2.81Å; S1520-V1524 VanDerWaalsContact O-N 3.1Å | ||
| 1521 | H | 83.7 | Confident | 83.4 | Confident | 110 Ų | 110 | 46.9 Ų | 46.9 | 51% | 0.509 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55 | -32.9 | 177.2 | -177.1 | 65 | 0 | 0 | 0 | 112 | N1525 H1569 | H1521-N1525 PolarHBondContact CD2-ND2 2.82Å; H1521-N1525 VanDerWaalsContact CD2-ND2 3.27Å; H1521-N1525 PolarHBondContact CE1-ND2 2.91Å; H1521-N1525 VanDerWaalsContact CE1-ND2 3.3Å; H1521-N1525 PolarHBondContact NE2-ND2 2.03Å; H1521-N1525 VanDerWaalsContact O-CB 3.28Å; H1521-N1525 WeakPolarHBondContact O-CB 3.42Å; H1521-N1525 VanDerWaalsContact O-CG 3.23Å; H1521-N1525 PolarHBondContact O-N 2.84Å; H1521-N1525 PolarHBondContact O-ND2 2.82Å; H1521-H1569 AromaticContact CE1-CE1 3.87Å; H1521-H1569 AromaticContact CE1-NE2 3.41Å; H1521-H1569 PolarHBondContact CE1-NE2 2.92Å; H1521-H1569 AromaticContact ND1-CE1 3.76Å; H1521-H1569 AromaticContact ND1-NE2 3.73Å |
| 1522 | S | 87.6 | Confident | 84.8 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 51% | 0.51 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 173.2 | -54.2 | 0 | 0 | 0 | 0 | 112.9 | S1520 M1526 | S1520-S1522 PolarHBondContact O-N 3.19Å; S1520-S1522 VanDerWaalsContact O-N 3.13Å; S1522-M1526 VanDerWaalsContact O-CB 3.26Å; S1522-M1526 WeakPolarHBondContact O-CB 3.44Å; S1522-M1526 PolarHBondContact O-N 3.02Å; S1522-M1526 VanDerWaalsContact O-N 3.08Å |
| 1523 | Q | 90.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.9 | -44.6 | 178.8 | -66 | -72.1 | 27.2 | 0 | 0 | 111.3 | D1452 P1453 N1454 D1460 I1462 S1520 M1526 L1527 | D1452-Q1523 PolarHBondContact OD1-NE2 3.21Å; P1453-Q1523 VanDerWaalsContact N-OE1 3.14Å; N1454-Q1523 PolarHBondContact OD1-NE2 2.96Å; N1454-Q1523 PolarHBondContact OD1-OE1 2.83Å; D1460-Q1523 PolarHBondContact O-NE2 2.93Å; I1462-Q1523 HydrophobicContact CD1-CB 4.16Å; I1462-Q1523 HydrophobicContact CG2-CB 4.4Å; I1462-Q1523 HydrophobicContact CG2-CG 4.23Å; S1520-Q1523 PolarHBondContact O-N 2.59Å; S1520-Q1523 WeakPolarHBondContact OG-CG 3.35Å; S1520-Q1523 PolarHBondContact OG-N 3.09Å; Q1523-M1526 PolarHBondContact O-N 3.16Å; Q1523-L1527 PolarHBondContact O-N 3.36Å |
| 1524 | V | 88.9 | Confident | 87 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 179.1 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | Y1518 S1520 M1526 L1527 R1528 Y1660 | Y1518-V1524 WeakPolarHBondContact O-CG2 3.15Å; S1520-V1524 PolarHBondContact O-N 2.81Å; S1520-V1524 VanDerWaalsContact O-N 3.1Å; V1524-M1526 VanDerWaalsContact C-N 3.27Å; V1524-M1526 PolarHBondContact O-N 3.27Å; V1524-L1527 WeakPolarHBondContact O-CB 3.37Å; V1524-L1527 PolarHBondContact O-N 2.85Å; V1524-R1528 WeakPolarHBondContact O-CG 3.47Å; V1524-R1528 PolarHBondContact O-N 2.95Å; V1524-Y1660 WeakPolarHBondContact CG1-OH 3.4Å |
| 1525 | N | 90.8 | Very high | 87.9 | Confident | 51 Ų | 51 | 50 Ų | 50 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.7 | -38.9 | 174.3 | -76.3 | -17 | 0 | 0 | 0 | 112.3 | H1521 R1528 I1529 | H1521-N1525 PolarHBondContact CD2-ND2 2.82Å; H1521-N1525 VanDerWaalsContact CD2-ND2 3.27Å; H1521-N1525 PolarHBondContact CE1-ND2 2.91Å; H1521-N1525 VanDerWaalsContact CE1-ND2 3.3Å; H1521-N1525 PolarHBondContact NE2-ND2 2.03Å; H1521-N1525 VanDerWaalsContact O-CB 3.28Å; H1521-N1525 WeakPolarHBondContact O-CB 3.42Å; H1521-N1525 VanDerWaalsContact O-CG 3.23Å; H1521-N1525 PolarHBondContact O-N 2.84Å; H1521-N1525 PolarHBondContact O-ND2 2.82Å; N1525-R1528 WeakPolarHBondContact O-CB 3.35Å; N1525-R1528 PolarHBondContact O-N 2.82Å; N1525-R1528 PolarHBondContact OD1-NH1 3.15Å; N1525-I1529 WeakPolarHBondContact O-CG1 3.43Å; N1525-I1529 PolarHBondContact O-N 2.81Å; N1525-I1529 VanDerWaalsContact O-N 3.08Å |
| 1526 | M | 92.7 | Very high | 88.5 | Confident | 54 Ų | 54 | 49.9 Ų | 49.9 | 27% | 0.266 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -75.2 | -26.5 | -179.5 | -168.7 | 56.2 | 70.8 | 0 | 0 | 112.7 | P1453 N1454 S1522 Q1523 V1524 I1529 Q1530 | P1453-M1526 HydrophobicContact CB-CB 3.97Å; P1453-M1526 HydrophobicContact CB-CG 3.99Å; P1453-M1526 WeakPolarHBondContact O-CG 3.45Å; N1454-M1526 HydrophobicContact CB-CB 4.47Å; S1522-M1526 VanDerWaalsContact O-CB 3.26Å; S1522-M1526 WeakPolarHBondContact O-CB 3.44Å; S1522-M1526 PolarHBondContact O-N 3.02Å; S1522-M1526 VanDerWaalsContact O-N 3.08Å; Q1523-M1526 PolarHBondContact O-N 3.16Å; V1524-M1526 VanDerWaalsContact C-N 3.27Å; V1524-M1526 PolarHBondContact O-N 3.27Å; M1526-I1529 HydrophobicContact CE-CD1 4.29Å; M1526-I1529 HydrophobicContact SD-CB 4.24Å; M1526-I1529 HydrophobicContact SD-CD1 4.21Å; M1526-I1529 HydrophobicContact SD-CG2 4.28Å; M1526-Q1530 WeakPolarHBondContact O-CG 3.25Å; M1526-Q1530 PolarHBondContact O-N 3.48Å; M1526-Q1530 HydrophobicContact SD-CG 4.46Å; M1526-Q1530 PolarHBondContact SD-NE2 3.49Å |
| 1527 | L | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 164.3 | -74 | 172.6 | 0 | 0 | 0 | 111.8 | P1453 I1462 T1476 V1478 Q1523 V1524 I1529 Q1530 H1531 Y1660 | P1453-L1527 HydrophobicContact CB-CD2 4.17Å; P1453-L1527 HydrophobicContact CB-CG 4.13Å; P1453-L1527 HydrophobicContact CG-CD1 4.36Å; P1453-L1527 HydrophobicContact CG-CD2 3.53Å; P1453-L1527 HydrophobicContact CG-CG 3.63Å; I1462-L1527 HydrophobicContact CD1-CD1 4.04Å; T1476-L1527 HydrophobicContact CG2-CD2 3.77Å; V1478-L1527 HydrophobicContact CG2-CD1 3.53Å; Q1523-L1527 PolarHBondContact O-N 3.36Å; V1524-L1527 WeakPolarHBondContact O-CB 3.37Å; V1524-L1527 PolarHBondContact O-N 2.85Å; L1527-I1529 VanDerWaalsContact C-N 3.3Å; L1527-I1529 PolarHBondContact O-N 3.03Å; L1527-Q1530 PolarHBondContact O-N 3.33Å; L1527-H1531 PolarHBondContact O-N 2.8Å; L1527-H1531 PolarHBondContact O-ND1 2.88Å; L1527-Y1660 HydrophobicContact CB-CD2 3.87Å; L1527-Y1660 HydrophobicContact CB-CE2 4.03Å; L1527-Y1660 HydrophobicContact CB-CG 4.2Å; L1527-Y1660 HydrophobicContact CD1-CD2 3.89Å; L1527-Y1660 HydrophobicContact CD1-CE2 3.99Å; L1527-Y1660 HydrophobicContact CG-CD2 4.41Å |
| 1528 | R | 91.9 | Very high | 89.9 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 8% | 0.075 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.3 | -46.3 | 176.1 | -65 | 172.2 | 174.7 | 146.1 | -3.8 | 111.4 | V1524 N1525 Q1530 H1569 L1630 L1633 Y1660 | V1524-R1528 WeakPolarHBondContact O-CG 3.47Å; V1524-R1528 PolarHBondContact O-N 2.95Å; N1525-R1528 WeakPolarHBondContact O-CB 3.35Å; N1525-R1528 PolarHBondContact O-N 2.82Å; N1525-R1528 PolarHBondContact OD1-NH1 3.15Å; R1528-Q1530 PolarHBondContact O-N 2.81Å; R1528-H1569 PolarHBondContact NH1-CD2 3Å; R1528-H1569 PolarHBondContact NH1-NE2 3.29Å; R1528-H1569 PolarHBondContact NH2-CD2 3.02Å; R1528-H1569 PolarHBondContact NH2-ND1 2.89Å; R1528-H1569 PolarHBondContact NH2-NE2 2.99Å; R1528-L1630 HydrophobicContact CB-CB 3.99Å; R1528-L1630 VanDerWaalsContact CD-O 3.25Å; R1528-L1630 WeakPolarHBondContact CD-O 3.3Å; R1528-L1630 HydrophobicContact CG-CB 4.08Å; R1528-L1630 WeakPolarHBondContact CG-O 3.49Å; R1528-L1630 PolarHBondContact NE-O 2.87Å; R1528-L1630 WeakPolarHBondContact O-CD1 3.27Å; R1528-L1633 PolarHBondContact NE-O 3.23Å; R1528-L1633 PolarHBondContact NH2-O 2.78Å; R1528-Y1660 HydrophobicContact CG-CE1 3.86Å |
| 1529 | I | 90.3 | Very high | 90.4 | Very high | 126 Ų | 126 | 48 Ų | 48 | 65% | 0.646 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.1 | -23.9 | 179.9 | -67.5 | 164.1 | 0 | 0 | 0 | 113 | N1525 M1526 L1527 | N1525-I1529 WeakPolarHBondContact O-CG1 3.43Å; N1525-I1529 PolarHBondContact O-N 2.81Å; N1525-I1529 VanDerWaalsContact O-N 3.08Å; M1526-I1529 HydrophobicContact CE-CD1 4.29Å; M1526-I1529 HydrophobicContact SD-CB 4.24Å; M1526-I1529 HydrophobicContact SD-CD1 4.21Å; M1526-I1529 HydrophobicContact SD-CG2 4.28Å; L1527-I1529 VanDerWaalsContact C-N 3.3Å; L1527-I1529 PolarHBondContact O-N 3.03Å |
| 1530 | Q | 88.7 | Confident | 91.1 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 19% | 0.192 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -103.6 | -2.2 | -170.2 | -66.6 | 179.4 | 36.3 | 0 | 0 | 114.9 | T1433 P1453 M1526 L1527 R1528 | T1433-Q1530 HydrophobicContact CG2-CB 4.49Å; P1453-Q1530 PolarHBondContact O-NE2 2.88Å; M1526-Q1530 WeakPolarHBondContact O-CG 3.25Å; M1526-Q1530 PolarHBondContact O-N 3.48Å; M1526-Q1530 HydrophobicContact SD-CG 4.46Å; M1526-Q1530 PolarHBondContact SD-NE2 3.49Å; L1527-Q1530 PolarHBondContact O-N 3.33Å; R1528-Q1530 PolarHBondContact O-N 2.81Å |
| 1531 | H | 93.7 | Very high | 91.6 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 7% | 0.065 | 23% | 0.225 | C | C | . | . | trans | -124.8 | -176.7 | -176.8 | -63.9 | 85.1 | 0 | 0 | 0 | 111.5 | T1476 L1527 L1630 Y1660 | T1476-H1531 PolarHBondContact OG1-NE2 2.91Å; T1476-H1531 VanDerWaalsContact OG1-NE2 3.08Å; L1527-H1531 PolarHBondContact O-N 2.8Å; L1527-H1531 PolarHBondContact O-ND1 2.88Å; H1531-L1630 WeakPolarHBondContact O-CD1 3.39Å; H1531-Y1660 PolarHBondContact CD2-O 3.19Å; H1531-Y1660 VanDerWaalsContact CD2-O 3.25Å | ||
| 1532 | R | 92.6 | Very high | 91.9 | Very high | 182 Ų | 182 | 41.5 Ų | 41.5 | 69% | 0.687 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -129.9 | -21 | -178.5 | -72.5 | -174.8 | 167.7 | -174.7 | -5.1 | 114.9 | R1661 T1662 | R1532-R1661 PolarHBondContact N-O 3.37Å; R1532-T1662 WeakPolarHBondContact CD-OXT 3.46Å |
| 1533 | Y | 94.4 | Very high | 91.9 | Very high | 82 Ų | 82 | 39.7 Ų | 39.7 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 149 | 177.6 | -60.4 | -89.2 | 0 | 0 | 0 | 108.9 | T1627 R1628 R1661 | Y1533-T1627 WeakPolarHBondContact CA-O 3.28Å; Y1533-R1628 HydrophobicContact CD1-CG 3.95Å; Y1533-R1628 HydrophobicContact CE1-CG 3.78Å; Y1533-R1661 PolarHBondContact N-O 3.32Å; Y1533-R1661 PolarHBondContact O-N 3.07Å |
| 1534 | A | 95.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1627 L1630 L1633 C1659 Y1660 | A1534-T1627 HydrophobicContact CB-CG2 3.85Å; A1534-T1627 PolarHBondContact N-O 2.78Å; A1534-T1627 PolarHBondContact O-N 3.39Å; A1534-L1630 HydrophobicContact CB-CD2 3.68Å; A1534-L1633 HydrophobicContact CB-CB 4.32Å; A1534-L1633 HydrophobicContact CB-CD1 3.93Å; A1534-C1659 CarbonylContact C-O 3.59Å; A1534-C1659 VanDerWaalsContact CA-O 3.22Å; A1534-C1659 WeakPolarHBondContact CA-O 3.38Å; A1534-Y1660 HydrophobicContact CB-CD1 3.73Å; A1534-Y1660 HydrophobicContact CB-CE1 3.82Å |
| 1535 | S | 95.6 | Very high | 91.4 | Very high | 29 Ų | 29 | 40.2 Ų | 40.2 | 20% | 0.203 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 156.1 | 172.2 | 53.5 | 0 | 0 | 0 | 0 | 111.8 | I1625 C1659 | S1535-I1625 CarbonylContact C-O 3.58Å; S1535-I1625 WeakPolarHBondContact CA-O 3.33Å; S1535-I1625 WeakPolarHBondContact CB-O 3.24Å; S1535-C1659 PolarHBondContact N-O 3.2Å; S1535-C1659 PolarHBondContact O-N 3.3Å |
| 1536 | Q | 94.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 143.6 | 173.4 | -174.2 | -178.2 | 0 | 0 | 0 | 109.1 | Y1518 I1625 L1633 P1634 | Y1518-Q1536 PolarHBondContact OH-NE2 3.23Å; Q1536-I1625 PolarHBondContact N-O 2.82Å; Q1536-I1625 WeakPolarHBondContact O-CD1 3.26Å; Q1536-I1625 PolarHBondContact O-N 3.4Å; Q1536-L1633 HydrophobicContact CB-CD1 4.06Å; Q1536-L1633 HydrophobicContact CB-CD2 4.15Å; Q1536-P1634 VanDerWaalsContact OE1-CA 3.27Å |
| 1537 | E | 92.8 | Very high | 91.2 | Very high | 78 Ų | 78 | 35.7 Ų | 35.7 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 140.7 | 174.2 | -59.6 | -168.1 | 149 | 0 | 0 | 111 | K1622 L1623 L1624 G1656 | E1537-K1622 IonicContact OE1-NZ 3.32Å; E1537-K1622 PolarHBondContact OE1-NZ 3.48Å; E1537-K1622 WeakPolarHBondContact OE2-CE 3.31Å; E1537-K1622 IonicContact OE2-NZ 2.76Å; E1537-K1622 PolarHBondContact OE2-NZ 3.18Å; E1537-L1623 WeakPolarHBondContact CA-O 3.45Å; E1537-L1624 HydrophobicContact CG-CD1 4Å; E1537-G1656 WeakPolarHBondContact O-CA 3.41Å; E1537-G1656 PolarHBondContact O-N 2.81Å |
| 1538 | L | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 122.8 | 170.6 | -64.1 | 177 | 0 | 0 | 0 | 109.1 | F1540 L1566 K1622 L1623 I1625 I1635 V1655 | L1538-F1540 HydrophobicContact CB-CD2 4.47Å; L1538-F1540 HydrophobicContact CB-CE2 3.69Å; L1538-F1540 HydrophobicContact CB-CZ 4.13Å; L1538-F1540 HydrophobicContact CD1-CE2 4.41Å; L1538-F1540 HydrophobicContact CD1-CZ 4.22Å; L1538-L1566 HydrophobicContact CD1-CD1 4.02Å; L1538-L1566 HydrophobicContact CD1-CD2 4.02Å; L1538-K1622 WeakPolarHBondContact O-CA 3Å; L1538-L1623 PolarHBondContact N-O 3.05Å; L1538-L1623 PolarHBondContact O-N 3.22Å; L1538-I1625 HydrophobicContact CD1-CD1 4.04Å; L1538-I1625 HydrophobicContact CG-CD1 4.07Å; L1538-I1635 HydrophobicContact CD1-CB 4.25Å; L1538-I1635 HydrophobicContact CD1-CG1 4.27Å; L1538-I1635 HydrophobicContact CD1-CG2 4.05Å; L1538-V1655 HydrophobicContact CD2-CB 4.31Å; L1538-V1655 HydrophobicContact CD2-CG1 3.94Å; L1538-V1655 HydrophobicContact CD2-CG2 4.1Å |
| 1539 | E | 92.2 | Very high | 91.1 | Very high | 50 Ų | 50 | 35.1 Ų | 35.1 | 23% | 0.234 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 113.6 | -179 | 179 | 174.2 | -114.2 | 0 | 0 | 109.8 | L1541 Y1609 K1622 N1654 | E1539-L1541 HydrophobicContact CG-CD1 4.16Å; E1539-Y1609 PolarHBondContact OE1-OH 3.26Å; E1539-K1622 HydrophobicContact CB-CB 4.42Å; E1539-K1622 HydrophobicContact CB-CG 4.18Å; E1539-K1622 HydrophobicContact CG-CB 4.4Å; E1539-N1654 HydrophobicContact CB-CB 4.15Å; E1539-N1654 PolarHBondContact N-O 3.03Å; E1539-N1654 PolarHBondContact O-N 3.18Å; E1539-N1654 PolarHBondContact OE2-ND2 2.93Å |
| 1540 | F | 91.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 114.6 | -174.6 | -66 | -86.5 | 0 | 0 | 0 | 109.6 | L1538 I1547 L1566 A1620 T1621 L1623 F1638 L1651 S1652 V1653 | L1538-F1540 HydrophobicContact CB-CD2 4.47Å; L1538-F1540 HydrophobicContact CB-CE2 3.69Å; L1538-F1540 HydrophobicContact CB-CZ 4.13Å; L1538-F1540 HydrophobicContact CD1-CE2 4.41Å; L1538-F1540 HydrophobicContact CD1-CZ 4.22Å; F1540-I1547 HydrophobicContact CB-CD1 4.13Å; F1540-I1547 HydrophobicContact CB-CG1 3.92Å; F1540-I1547 HydrophobicContact CB-CG2 4.08Å; F1540-I1547 HydrophobicContact CD1-CD1 4.19Å; F1540-I1547 HydrophobicContact CD2-CG2 3.84Å; F1540-I1547 HydrophobicContact CE2-CG2 4.45Å; F1540-I1547 HydrophobicContact CG-CD1 4.24Å; F1540-I1547 HydrophobicContact CG-CG1 4.4Å; F1540-I1547 HydrophobicContact CG-CG2 3.93Å; F1540-L1566 HydrophobicContact CZ-CD2 4.44Å; F1540-A1620 CarbonylContact O-C 3.52Å; F1540-A1620 WeakPolarHBondContact O-CA 3.45Å; F1540-A1620 VanDerWaalsContact O-CB 3.31Å; F1540-A1620 WeakPolarHBondContact O-CB 3.38Å; F1540-T1621 PolarHBondContact N-O 3.13Å; F1540-T1621 PolarHBondContact O-N 2.69Å; F1540-L1623 HydrophobicContact CE2-CD1 3.89Å; F1540-L1623 HydrophobicContact CE2-CG 4.25Å; F1540-F1638 HydrophobicContact CD1-CE2 4.37Å; F1540-F1638 HydrophobicContact CD1-CZ 4.47Å; F1540-F1638 AromaticContact CE1-CD1 3.95Å; F1540-F1638 HydrophobicContact CE1-CD1 3.95Å; F1540-F1638 AromaticContact CE1-CD2 3.71Å; F1540-F1638 HydrophobicContact CE1-CD2 3.71Å; F1540-F1638 AromaticContact CE1-CE1 3.94Å; F1540-F1638 HydrophobicContact CE1-CE1 3.94Å; F1540-F1638 AromaticContact CE1-CE2 3.71Å; F1540-F1638 HydrophobicContact CE1-CE2 3.71Å; F1540-F1638 AromaticContact CE1-CG 3.83Å; F1540-F1638 HydrophobicContact CE1-CG 3.83Å; F1540-F1638 AromaticContact CE1-CZ 3.81Å; F1540-F1638 HydrophobicContact CE1-CZ 3.81Å; F1540-F1638 HydrophobicContact CZ-CB 4.47Å; F1540-F1638 HydrophobicContact CZ-CD1 4.27Å; F1540-F1638 HydrophobicContact CZ-CD2 4.37Å; F1540-F1638 HydrophobicContact CZ-CG 4.13Å; F1540-L1651 HydrophobicContact CB-CD1 4.05Å; F1540-L1651 HydrophobicContact CD1-CD1 4.19Å; F1540-L1651 HydrophobicContact CD1-CD2 4.32Å; F1540-S1652 CarbonylContact C-O 3.59Å; F1540-V1653 HydrophobicContact CD1-CB 4.39Å; F1540-V1653 HydrophobicContact CD1-CG2 3.93Å; F1540-V1653 HydrophobicContact CE1-CG2 3.79Å; F1540-V1653 HydrophobicContact CZ-CG2 4.34Å |
| 1541 | L | 91.1 | Very high | 91.1 | Very high | 52 Ų | 52 | 32.1 Ų | 32.1 | 27% | 0.272 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.9 | 174.7 | -69.2 | 75.3 | 0 | 0 | 0 | 108.9 | L1487 E1539 A1619 A1620 L1651 S1652 N1654 | L1487-L1541 HydrophobicContact CD1-CD2 4.15Å; L1487-L1541 HydrophobicContact CD2-CD1 3.76Å; L1487-L1541 HydrophobicContact CD2-CD2 3.89Å; L1487-L1541 HydrophobicContact CD2-CG 4.34Å; E1539-L1541 HydrophobicContact CG-CD1 4.16Å; L1541-A1619 CarbonylContact C-O 3.32Å; L1541-A1619 WeakPolarHBondContact CA-O 3.29Å; L1541-A1620 HydrophobicContact CG-CB 4.16Å; L1541-L1651 WeakPolarHBondContact O-CD1 3.31Å; L1541-S1652 PolarHBondContact N-O 3.06Å; L1541-S1652 PolarHBondContact O-N 2.83Å; L1541-N1654 HydrophobicContact CD1-CB 4.37Å |
| 1542 | C | 89.6 | Confident | 90.8 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 3% | 0.027 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 140.3 | -167.1 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | T1545 C1612 G1618 A1619 L1651 | C1542-T1545 HydrophobicContact CB-CG2 3.55Å; C1542-C1612 HydrophobicContact CB-CB 3.93Å; C1542-C1612 WeakPolarHBondContact CB-SG 3.31Å; C1542-C1612 WeakPolarHBondContact SG-CA 3.18Å; C1542-C1612 WeakPolarHBondContact SG-CB 3.28Å; C1542-C1612 CovalentContact SG-SG 2.03Å; C1542-C1612 PolarHBondContact SG-SG 3.22Å; C1542-G1618 PolarHBondContact O-N 2.81Å; C1542-A1619 PolarHBondContact N-O 3.2Å; C1542-A1619 PolarHBondContact O-N 3.38Å; C1542-A1619 VanDerWaalsContact SG-C 3.52Å; C1542-A1619 PolarHBondContact SG-O 2.87Å; C1542-L1651 HydrophobicContact CB-CD1 4.5Å |
| 1543 | D | 87.6 | Confident | 90.4 | Very high | 35 Ų | 35 | 29.9 Ų | 29.9 | 19% | 0.187 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 107.2 | 163 | -167.5 | -13.4 | 0 | 0 | 0 | 109.2 | T1545 K1617 C1649 S1650 | D1543-T1545 PolarHBondContact O-N 2.86Å; D1543-K1617 WeakPolarHBondContact OD1-CG 3.32Å; D1543-K1617 IonicContact OD1-NZ 3.98Å; D1543-K1617 PolarHBondContact OD1-NZ 2.85Å; D1543-K1617 WeakPolarHBondContact OD2-CD 3.39Å; D1543-K1617 IonicContact OD2-NZ 2.66Å; D1543-K1617 PolarHBondContact OD2-NZ 3.42Å; D1543-C1649 WeakPolarHBondContact O-CA 3.37Å; D1543-C1649 WeakPolarHBondContact O-CB 2.97Å; D1543-C1649 PolarHBondContact O-SG 2.66Å; D1543-C1649 VanDerWaalsContact O-SG 3.41Å; D1543-S1650 WeakPolarHBondContact CB-OG 3.24Å; D1543-S1650 PolarHBondContact N-O 2.7Å; D1543-S1650 PolarHBondContact O-N 2.71Å |
| 1544 | G | 81.3 | Confident | 90.1 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 22% | 0.216 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 68.1 | -2.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | L1615 C1649 | G1544-L1615 WeakPolarHBondContact O-CD2 3.19Å; G1544-C1649 PolarHBondContact O-SG 3.49Å |
| 1545 | T | 86.8 | Confident | 89.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -99 | 147.4 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 112 | C1542 D1543 N1642 L1651 | C1542-T1545 HydrophobicContact CB-CG2 3.55Å; D1543-T1545 PolarHBondContact O-N 2.86Å; T1545-N1642 PolarHBondContact OG1-O 2.8Å; T1545-N1642 VanDerWaalsContact OG1-O 3.1Å; T1545-L1651 HydrophobicContact CG2-CB 4.2Å; T1545-L1651 HydrophobicContact CG2-CD1 4.14Å | ||
| 1546 | E | 89.1 | Confident | 89.1 | Confident | 9 Ų | 9 | 42.9 Ų | 42.9 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | trans | -90.8 | 153.8 | 168.9 | -72.8 | 154.7 | 176.1 | 0 | 0 | 110.3 | S1550 K1562 L1615 N1642 | E1546-S1550 WeakPolarHBondContact OE1-CA 3.36Å; E1546-S1550 WeakPolarHBondContact OE1-CB 3.41Å; E1546-S1550 PolarHBondContact OE1-OG 3.01Å; E1546-S1550 WeakPolarHBondContact OE2-CB 3.39Å; E1546-S1550 PolarHBondContact OE2-OG 2.75Å; E1546-K1562 IonicContact OE1-NZ 3.55Å; E1546-K1562 WeakPolarHBondContact OE2-CD 3.08Å; E1546-K1562 WeakPolarHBondContact OE2-CE 3.4Å; E1546-K1562 IonicContact OE2-NZ 2.63Å; E1546-K1562 PolarHBondContact OE2-NZ 2.88Å; E1546-L1615 HydrophobicContact CG-CD2 3.7Å; E1546-L1615 HydrophobicContact CG-CG 4.48Å; E1546-N1642 HydrophobicContact CB-CB 4.44Å; E1546-N1642 VanDerWaalsContact CD-ND2 3.31Å; E1546-N1642 PolarHBondContact OE2-ND2 3.01Å | ||
| 1547 | I | 92 | Very high | 88.6 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -128.6 | -34.2 | 179.9 | -64.3 | -65.8 | 0 | 0 | 0 | 112.2 | F1540 T1564 C1612 T1621 L1651 | F1540-I1547 HydrophobicContact CB-CD1 4.13Å; F1540-I1547 HydrophobicContact CB-CG1 3.92Å; F1540-I1547 HydrophobicContact CB-CG2 4.08Å; F1540-I1547 HydrophobicContact CD1-CD1 4.19Å; F1540-I1547 HydrophobicContact CD2-CG2 3.84Å; F1540-I1547 HydrophobicContact CE2-CG2 4.45Å; F1540-I1547 HydrophobicContact CG-CD1 4.24Å; F1540-I1547 HydrophobicContact CG-CG1 4.4Å; F1540-I1547 HydrophobicContact CG-CG2 3.93Å; I1547-T1564 HydrophobicContact CG2-CG2 4.24Å; I1547-T1564 PolarHBondContact O-N 2.97Å; I1547-C1612 HydrophobicContact CB-CB 4.15Å; I1547-C1612 HydrophobicContact CG1-CB 4.02Å; I1547-T1621 HydrophobicContact CB-CG2 4.24Å; I1547-T1621 HydrophobicContact CG2-CG2 3.92Å; I1547-L1651 HydrophobicContact CD1-CD1 3.64Å; I1547-L1651 HydrophobicContact CD1-CD2 3.88Å; I1547-L1651 HydrophobicContact CD1-CG 4.43Å; I1547-L1651 HydrophobicContact CG1-CD1 4.3Å |
| 1548 | Y | 92.5 | Very high | 88.2 | Confident | 6 Ų | 6 | 47 Ų | 47 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -134.5 | -73.6 | -178.3 | 179.9 | -114.3 | 0 | 0 | 0 | 112.4 | F1560 A1563 L1576 D1590 R1592 V1607 D1610 | Y1548-F1560 HydrophobicContact CD1-CD1 4.05Å; Y1548-F1560 AromaticContact CD1-CE1 3.83Å; Y1548-F1560 HydrophobicContact CD1-CE1 3.83Å; Y1548-F1560 HydrophobicContact CD2-CD1 4.47Å; Y1548-F1560 AromaticContact CE1-CD1 3.75Å; Y1548-F1560 HydrophobicContact CE1-CD1 3.75Å; Y1548-F1560 AromaticContact CE1-CE1 3.4Å; Y1548-F1560 HydrophobicContact CE1-CE1 3.4Å; Y1548-F1560 HydrophobicContact CE1-CZ 4.48Å; Y1548-F1560 HydrophobicContact CE2-CD1 4.19Å; Y1548-F1560 HydrophobicContact CG-CD1 4.43Å; Y1548-F1560 AromaticContact CZ-CD1 3.85Å; Y1548-F1560 AromaticContact CZ-CE1 3.88Å; Y1548-A1563 HydrophobicContact CD2-CB 3.95Å; Y1548-A1563 WeakPolarHBondContact O-CB 3.47Å; Y1548-L1576 HydrophobicContact CD2-CB 4.15Å; Y1548-L1576 HydrophobicContact CD2-CD2 3.53Å; Y1548-L1576 HydrophobicContact CD2-CG 4.46Å; Y1548-L1576 HydrophobicContact CE2-CB 4.08Å; Y1548-L1576 HydrophobicContact CE2-CD2 3.79Å; Y1548-L1576 HydrophobicContact CE2-CG 4.44Å; Y1548-D1590 HydrophobicContact CE1-CB 3.92Å; Y1548-D1590 WeakPolarHBondContact OH-CB 3.28Å; Y1548-D1590 PolarHBondContact OH-OD2 2.83Å; Y1548-D1590 VanDerWaalsContact OH-OD2 3.05Å; Y1548-R1592 HydrophobicContact CE2-CG 4.4Å; Y1548-R1592 PolarHBondContact OH-NH1 2.96Å; Y1548-R1592 PolarHBondContact OH-NH2 2.81Å; Y1548-R1592 VanDerWaalsContact OH-NH2 3.13Å; Y1548-V1607 HydrophobicContact CD1-CB 4.36Å; Y1548-V1607 HydrophobicContact CD1-CG1 3.83Å; Y1548-V1607 HydrophobicContact CD1-CG2 4.01Å; Y1548-V1607 HydrophobicContact CD2-CG2 4.08Å; Y1548-V1607 HydrophobicContact CE1-CB 4.12Å; Y1548-V1607 HydrophobicContact CE1-CG1 4.05Å; Y1548-V1607 HydrophobicContact CE1-CG2 3.69Å; Y1548-V1607 HydrophobicContact CE2-CG2 3.77Å; Y1548-V1607 HydrophobicContact CG-CG1 4.3Å; Y1548-V1607 HydrophobicContact CG-CG2 4.16Å; Y1548-D1610 HydrophobicContact CD1-CB 4.31Å; Y1548-D1610 WeakPolarHBondContact CD1-OD2 3.36Å |
| 1549 | G | 89.4 | Confident | 88 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | trans | -84.8 | 160.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1559 D1610 Q1613 | G1549-D1559 CarbonylContact C-O 3.56Å; G1549-D1559 WeakPolarHBondContact CA-O 3.38Å; G1549-D1610 WeakPolarHBondContact CA-OD2 3.33Å; G1549-D1610 PolarHBondContact N-OD2 3.17Å; G1549-Q1613 VanDerWaalsContact O-CA 3.24Å; G1549-Q1613 WeakPolarHBondContact O-CA 3.4Å; G1549-Q1613 WeakPolarHBondContact O-CB 3.35Å | ||
| 1550 | S | 89.1 | Confident | 87.8 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 110.6 | 165.1 | 177.9 | 0 | 0 | 0 | 0 | 107.2 | E1546 N1552 S1558 D1559 | E1546-S1550 WeakPolarHBondContact OE1-CA 3.36Å; E1546-S1550 WeakPolarHBondContact OE1-CB 3.41Å; E1546-S1550 PolarHBondContact OE1-OG 3.01Å; E1546-S1550 WeakPolarHBondContact OE2-CB 3.39Å; E1546-S1550 PolarHBondContact OE2-OG 2.75Å; S1550-N1552 PolarHBondContact O-N 3.44Å; S1550-N1552 VanDerWaalsContact O-N 3.12Å; S1550-S1558 CarbonylContact O-C 3.37Å; S1550-S1558 WeakPolarHBondContact O-CA 3.43Å; S1550-D1559 PolarHBondContact N-O 3.33Å; S1550-D1559 PolarHBondContact O-N 3.29Å |
| 1551 | W | 88.9 | Confident | 87.6 | Confident | 87 Ų | 87 | 55 Ų | 55 | 33% | 0.33 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 107.5 | -172.5 | 176.6 | -99.5 | 0 | 0 | 0 | 111.6 | S1553 S1556 Q1613 Y1614 | W1551-S1553 VanDerWaalsContact CD1-OG 3.3Å; W1551-S1553 PolarHBondContact NE1-OG 2.71Å; W1551-S1553 PolarHBondContact O-N 3.18Å; W1551-S1556 VanDerWaalsContact CH2-C 3.44Å; W1551-S1556 WeakPolarHBondContact CH2-O 3.08Å; W1551-Q1613 HydrophobicContact CB-CB 4.38Å; W1551-Q1613 HydrophobicContact CB-CG 4.35Å; W1551-Q1613 WeakPolarHBondContact CB-O 3.38Å; W1551-Q1613 PolarHBondContact N-O 3.37Å; W1551-Y1614 HydrophobicContact CB-CD1 3.87Å; W1551-Y1614 HydrophobicContact CB-CE1 4Å; W1551-Y1614 HydrophobicContact CD2-CD1 4.41Å; W1551-Y1614 AromaticContact CD2-CE1 3.78Å; W1551-Y1614 HydrophobicContact CD2-CE1 3.78Å; W1551-Y1614 HydrophobicContact CE3-CE1 4.13Å; W1551-Y1614 AromaticContact CG-CD1 3.83Å; W1551-Y1614 HydrophobicContact CG-CD1 3.83Å; W1551-Y1614 AromaticContact CG-CE1 3.68Å; W1551-Y1614 HydrophobicContact CG-CE1 3.68Å |
| 1552 | N | 87.2 | Confident | 87.3 | Confident | 55 Ų | 55 | 55.8 Ų | 55.8 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 93.7 | 176.8 | -175.7 | -5.5 | 0 | 0 | 0 | 110.9 | S1550 R1554 T1555 S1556 Q1557 | S1550-N1552 PolarHBondContact O-N 3.44Å; S1550-N1552 VanDerWaalsContact O-N 3.12Å; N1552-R1554 PolarHBondContact O-N 2.94Å; N1552-R1554 WeakPolarHBondContact OD1-CB 3.08Å; N1552-R1554 PolarHBondContact OD1-N 2.95Å; N1552-R1554 VanDerWaalsContact OD1-N 3.09Å; N1552-T1555 WeakPolarHBondContact CB-OG1 3.5Å; N1552-T1555 PolarHBondContact ND2-OG1 3.22Å; N1552-T1555 PolarHBondContact O-N 3.12Å; N1552-T1555 PolarHBondContact O-OG1 2.85Å; N1552-S1556 PolarHBondContact O-N 2.88Å; N1552-Q1557 WeakPolarHBondContact CB-O 3.31Å; N1552-Q1557 PolarHBondContact N-O 3.04Å |
| 1553 | S | 85.3 | Confident | 87.4 | Confident | 94 Ų | 94 | 55.6 Ų | 55.6 | 66% | 0.657 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -11.6 | 177.1 | -56.4 | 0 | 0 | 0 | 0 | 115.6 | W1551 | W1551-S1553 VanDerWaalsContact CD1-OG 3.3Å; W1551-S1553 PolarHBondContact NE1-OG 2.71Å; W1551-S1553 PolarHBondContact O-N 3.18Å |
| 1554 | R | 87.2 | Confident | 87.7 | Confident | 233 Ų | 233 | 54 Ų | 54 | 88% | 0.879 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -30 | 174.1 | -69.6 | 179.9 | -74.5 | -167.3 | -5 | 113.4 | N1552 | N1552-R1554 PolarHBondContact O-N 2.94Å; N1552-R1554 WeakPolarHBondContact OD1-CB 3.08Å; N1552-R1554 PolarHBondContact OD1-N 2.95Å; N1552-R1554 VanDerWaalsContact OD1-N 3.09Å |
| 1555 | T | 87.7 | Confident | 88.2 | Confident | 73 Ų | 73 | 53 Ų | 53 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -12.6 | 177.7 | 55.6 | 0 | 0 | 0 | 0 | 113 | N1552 Q1557 | N1552-T1555 WeakPolarHBondContact CB-OG1 3.5Å; N1552-T1555 PolarHBondContact ND2-OG1 3.22Å; N1552-T1555 PolarHBondContact O-N 3.12Å; N1552-T1555 PolarHBondContact O-OG1 2.85Å; T1555-Q1557 PolarHBondContact O-N 2.85Å |
| 1556 | S | 82.9 | Confident | 88.6 | Confident | 82 Ų | 82 | 53 Ų | 53 | 57% | 0.573 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 35.5 | -169.2 | -53.6 | 0 | 0 | 0 | 0 | 112.9 | W1551 N1552 | W1551-S1556 VanDerWaalsContact CH2-C 3.44Å; W1551-S1556 WeakPolarHBondContact CH2-O 3.08Å; N1552-S1556 PolarHBondContact O-N 2.88Å |
| 1557 | Q | 83.7 | Confident | 88.8 | Confident | 134 Ų | 134 | 54.4 Ų | 54.4 | 63% | 0.626 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 144.2 | 179 | -66.9 | 176 | -8.9 | 0 | 0 | 109.4 | N1552 T1555 | N1552-Q1557 WeakPolarHBondContact CB-O 3.31Å; N1552-Q1557 PolarHBondContact N-O 3.04Å; T1555-Q1557 PolarHBondContact O-N 2.85Å |
| 1558 | S | 84.8 | Confident | 88.9 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 127.3 | 170.4 | -35.2 | 0 | 0 | 0 | 0 | 109.5 | S1550 F1560 Q1613 | S1550-S1558 CarbonylContact O-C 3.37Å; S1550-S1558 WeakPolarHBondContact O-CA 3.43Å; S1558-F1560 WeakPolarHBondContact O-CE2 3.37Å; S1558-Q1613 PolarHBondContact OG-OE1 3.24Å |
| 1559 | D | 87 | Confident | 88.8 | Confident | 66 Ų | 66 | 56.3 Ų | 56.3 | 35% | 0.353 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 138.4 | 166.1 | -176.3 | 3.2 | 0 | 0 | 0 | 109.3 | G1549 S1550 N1561 | G1549-D1559 CarbonylContact C-O 3.56Å; G1549-D1559 WeakPolarHBondContact CA-O 3.38Å; S1550-D1559 PolarHBondContact N-O 3.33Å; S1550-D1559 PolarHBondContact O-N 3.29Å; D1559-N1561 VanDerWaalsContact CG-ND2 3.29Å; D1559-N1561 WeakPolarHBondContact OD1-CB 3.27Å; D1559-N1561 PolarHBondContact OD1-N 2.86Å; D1559-N1561 PolarHBondContact OD1-ND2 3.01Å; D1559-N1561 PolarHBondContact OD2-ND2 2.04Å |
| 1560 | F | 89.7 | Confident | 88.8 | Confident | 33 Ų | 33 | 58.6 Ų | 58.6 | 15% | 0.145 | 30% | 0.299 | C | S | . | . | trans | -107.9 | -1.1 | -179.9 | -55.3 | -78.1 | 0 | 0 | 0 | 113.3 | Y1548 S1558 K1562 A1563 T1577 R1581 | Y1548-F1560 HydrophobicContact CD1-CD1 4.05Å; Y1548-F1560 AromaticContact CD1-CE1 3.83Å; Y1548-F1560 HydrophobicContact CD1-CE1 3.83Å; Y1548-F1560 HydrophobicContact CD2-CD1 4.47Å; Y1548-F1560 AromaticContact CE1-CD1 3.75Å; Y1548-F1560 HydrophobicContact CE1-CD1 3.75Å; Y1548-F1560 AromaticContact CE1-CE1 3.4Å; Y1548-F1560 HydrophobicContact CE1-CE1 3.4Å; Y1548-F1560 HydrophobicContact CE1-CZ 4.48Å; Y1548-F1560 HydrophobicContact CE2-CD1 4.19Å; Y1548-F1560 HydrophobicContact CG-CD1 4.43Å; Y1548-F1560 AromaticContact CZ-CD1 3.85Å; Y1548-F1560 AromaticContact CZ-CE1 3.88Å; S1558-F1560 WeakPolarHBondContact O-CE2 3.37Å; F1560-K1562 PolarHBondContact O-N 3.45Å; F1560-A1563 WeakPolarHBondContact O-CB 3.5Å; F1560-A1563 PolarHBondContact O-N 3.35Å; F1560-T1577 WeakPolarHBondContact O-CG2 3.48Å; F1560-R1581 VanDerWaalsContact CE2-CZ 3.5Å; F1560-R1581 VanDerWaalsContact CZ-NH2 3.28Å | ||
| 1561 | N | 86.8 | Confident | 88.9 | Confident | 119 Ų | 119 | 65.6 Ų | 65.6 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -22.4 | -178.7 | -71.5 | -43.4 | 0 | 0 | 0 | 114.3 | D1559 R1641 | D1559-N1561 VanDerWaalsContact CG-ND2 3.29Å; D1559-N1561 WeakPolarHBondContact OD1-CB 3.27Å; D1559-N1561 PolarHBondContact OD1-N 2.86Å; D1559-N1561 PolarHBondContact OD1-ND2 3.01Å; D1559-N1561 PolarHBondContact OD2-ND2 2.04Å; N1561-R1641 PolarHBondContact O-NH1 3.05Å |
| 1562 | K | 85.6 | Confident | 89 | Confident | 68 Ų | 68 | 64.1 Ų | 64.1 | 30% | 0.296 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 5.6 | 179.8 | -62.3 | 172.7 | 174.2 | -175.2 | 0 | 114.5 | E1546 F1560 N1642 | E1546-K1562 IonicContact OE1-NZ 3.55Å; E1546-K1562 WeakPolarHBondContact OE2-CD 3.08Å; E1546-K1562 WeakPolarHBondContact OE2-CE 3.4Å; E1546-K1562 IonicContact OE2-NZ 2.63Å; E1546-K1562 PolarHBondContact OE2-NZ 2.88Å; F1560-K1562 PolarHBondContact O-N 3.45Å; K1562-N1642 HydrophobicContact CD-CB 3.96Å; K1562-N1642 PolarHBondContact NZ-ND2 3.3Å |
| 1563 | A | 91.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | trans | -57.3 | 149.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y1548 F1560 L1576 T1577 R1641 | Y1548-A1563 HydrophobicContact CD2-CB 3.95Å; Y1548-A1563 WeakPolarHBondContact O-CB 3.47Å; F1560-A1563 WeakPolarHBondContact O-CB 3.5Å; F1560-A1563 PolarHBondContact O-N 3.35Å; A1563-L1576 HydrophobicContact CB-CB 3.74Å; A1563-T1577 HydrophobicContact CB-CG2 3.86Å; A1563-R1641 VanDerWaalsContact O-CD 3.28Å; A1563-R1641 WeakPolarHBondContact O-CD 3Å; A1563-R1641 PolarHBondContact O-NE 3.45Å | ||
| 1564 | T | 92.7 | Very high | 89.6 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | trans | -58.7 | 159.2 | 176.3 | -169.6 | 0 | 0 | 0 | 0 | 111.8 | I1547 L1566 L1576 L1623 K1639 | I1547-T1564 HydrophobicContact CG2-CG2 4.24Å; I1547-T1564 PolarHBondContact O-N 2.97Å; T1564-L1566 HydrophobicContact CG2-CD2 4.22Å; T1564-L1576 HydrophobicContact CG2-CD1 4.1Å; T1564-L1576 HydrophobicContact CG2-CD2 4.26Å; T1564-L1576 WeakPolarHBondContact O-CB 3.17Å; T1564-L1576 WeakPolarHBondContact O-CD1 3.45Å; T1564-L1576 PolarHBondContact O-N 3.27Å; T1564-L1623 HydrophobicContact CG2-CD1 4.07Å; T1564-K1639 WeakPolarHBondContact CA-O 3.39Å; T1564-K1639 PolarHBondContact OG1-O 3.46Å; T1564-K1639 VanDerWaalsContact OG1-O 3.12Å | ||
| 1565 | A | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 140 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | M1573 L1574 D1575 F1638 K1639 | A1565-M1573 HydrophobicContact CB-CG 4.11Å; A1565-M1573 HydrophobicContact CB-SD 4.29Å; A1565-L1574 WeakPolarHBondContact CA-O 3.45Å; A1565-D1575 HydrophobicContact CB-CB 4.13Å; A1565-F1638 CarbonylContact O-C 3.58Å; A1565-F1638 VanDerWaalsContact O-CA 3.32Å; A1565-F1638 WeakPolarHBondContact O-CA 3.15Å; A1565-K1639 HydrophobicContact CB-CB 4.11Å; A1565-K1639 PolarHBondContact N-O 2.86Å; A1565-K1639 PolarHBondContact O-N 3.31Å |
| 1566 | L | 94.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 141.8 | 177.1 | -50.5 | -178.2 | 0 | 0 | 0 | 109.5 | L1538 F1540 T1564 L1574 L1576 I1605 L1623 I1625 I1635 F1638 | L1538-L1566 HydrophobicContact CD1-CD1 4.02Å; L1538-L1566 HydrophobicContact CD1-CD2 4.02Å; F1540-L1566 HydrophobicContact CZ-CD2 4.44Å; T1564-L1566 HydrophobicContact CG2-CD2 4.22Å; L1566-L1574 HydrophobicContact CB-CB 4.34Å; L1566-L1574 PolarHBondContact N-O 2.81Å; L1566-L1574 PolarHBondContact O-N 2.69Å; L1566-L1576 HydrophobicContact CG-CD1 4.21Å; L1566-I1605 HydrophobicContact CD1-CD1 3.8Å; L1566-I1605 HydrophobicContact CG-CD1 4.45Å; L1566-L1623 HydrophobicContact CD1-CD1 4.32Å; L1566-I1625 HydrophobicContact CD1-CD1 3.97Å; L1566-I1625 HydrophobicContact CD1-CG1 3.84Å; L1566-I1635 HydrophobicContact CB-CD1 4.06Å; L1566-I1635 HydrophobicContact CB-CG2 3.93Å; L1566-I1635 HydrophobicContact CD1-CD1 4.25Å; L1566-I1635 HydrophobicContact CD1-CG1 4.22Å; L1566-F1638 HydrophobicContact CD2-CB 3.72Å |
| 1567 | L | 93.8 | Very high | 90.5 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 116.8 | 170.6 | -171.3 | 63 | 0 | 0 | 0 | 109 | W1500 E1571 I1635 I1636 D1637 | W1500-L1567 HydrophobicContact CH2-CB 4.26Å; W1500-L1567 HydrophobicContact CZ3-CB 3.86Å; L1567-E1571 WeakPolarHBondContact CD1-O 3.12Å; L1567-I1635 WeakPolarHBondContact O-CA 3.45Å; L1567-I1636 HydrophobicContact CB-CG1 4.13Å; L1567-I1636 HydrophobicContact CD2-CD1 3.87Å; L1567-I1636 HydrophobicContact CD2-CG1 4.01Å; L1567-I1636 HydrophobicContact CG-CD1 3.99Å; L1567-I1636 HydrophobicContact CG-CG1 3.86Å; L1567-I1636 WeakPolarHBondContact O-CG1 3.44Å; L1567-I1636 PolarHBondContact O-N 2.82Å; L1567-D1637 HydrophobicContact CB-CB 3.84Å; L1567-D1637 HydrophobicContact CD2-CB 3.98Å; L1567-D1637 PolarHBondContact N-O 2.8Å |
| 1568 | A | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 158.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1570 E1571 R1572 V1632 | A1568-N1570 WeakPolarHBondContact CB-OD1 3.29Å; A1568-N1570 PolarHBondContact O-N 2.81Å; A1568-E1571 WeakPolarHBondContact O-CA 3.42Å; A1568-E1571 PolarHBondContact O-N 2.81Å; A1568-R1572 HydrophobicContact CB-CB 3.96Å; A1568-R1572 WeakPolarHBondContact CB-O 3.39Å; A1568-R1572 PolarHBondContact N-O 3.19Å; A1568-V1632 WeakPolarHBondContact CA-O 3.22Å; A1568-V1632 HydrophobicContact CB-CB 4.29Å; A1568-V1632 HydrophobicContact CB-CG1 3.82Å; A1568-V1632 VanDerWaalsContact CB-O 3.3Å; A1568-V1632 WeakPolarHBondContact CB-O 3.33Å |
| 1569 | H | 91.7 | Very high | 90.8 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 22% | 0.218 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28.7 | 177.6 | -177.8 | 101.4 | 0 | 0 | 0 | 113.6 | H1521 R1528 E1571 E1631 V1632 P1634 I1636 | H1521-H1569 AromaticContact CE1-CE1 3.87Å; H1521-H1569 AromaticContact CE1-NE2 3.41Å; H1521-H1569 PolarHBondContact CE1-NE2 2.92Å; H1521-H1569 AromaticContact ND1-CE1 3.76Å; H1521-H1569 AromaticContact ND1-NE2 3.73Å; R1528-H1569 PolarHBondContact NH1-CD2 3Å; R1528-H1569 PolarHBondContact NH1-NE2 3.29Å; R1528-H1569 PolarHBondContact NH2-CD2 3.02Å; R1528-H1569 PolarHBondContact NH2-ND1 2.89Å; R1528-H1569 PolarHBondContact NH2-NE2 2.99Å; H1569-E1571 PolarHBondContact O-N 2.69Å; H1569-E1631 WeakPolarHBondContact CB-O 3.36Å; H1569-V1632 PolarHBondContact N-O 2.86Å; H1569-P1634 VanDerWaalsContact CB-O 3.3Å; H1569-P1634 WeakPolarHBondContact CB-O 3.25Å; H1569-P1634 PolarHBondContact N-O 3.03Å; H1569-I1636 HydrophobicContact CB-CG2 4.16Å |
| 1570 | N | 89.5 | Confident | 90.9 | Very high | 49 Ų | 49 | 44.4 Ų | 44.4 | 26% | 0.262 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 30.5 | 171.9 | 64.2 | -1.8 | 0 | 0 | 0 | 113.6 | A1568 R1572 D1629 E1631 | A1568-N1570 WeakPolarHBondContact CB-OD1 3.29Å; A1568-N1570 PolarHBondContact O-N 2.81Å; N1570-R1572 PolarHBondContact O-N 3.12Å; N1570-R1572 VanDerWaalsContact OD1-CB 3.31Å; N1570-R1572 WeakPolarHBondContact OD1-CB 3.44Å; N1570-D1629 PolarHBondContact ND2-OD2 2.88Å; N1570-E1631 HydrophobicContact CB-CB 3.93Å; N1570-E1631 PolarHBondContact N-O 3.17Å; N1570-E1631 VanDerWaalsContact N-O 3.17Å |
| 1571 | E | 90.5 | Very high | 90.9 | Very high | 164 Ų | 164 | 49.3 Ų | 49.3 | 77% | 0.766 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 58.8 | 1.8 | -179.1 | -57.6 | -178.5 | -179.2 | 0 | 0 | 115.4 | L1567 A1568 H1569 M1573 | L1567-E1571 WeakPolarHBondContact CD1-O 3.12Å; A1568-E1571 WeakPolarHBondContact O-CA 3.42Å; A1568-E1571 PolarHBondContact O-N 2.81Å; H1569-E1571 PolarHBondContact O-N 2.69Å; E1571-M1573 PolarHBondContact O-N 2.98Å |
| 1572 | R | 91.9 | Very high | 90.6 | Very high | 56 Ų | 56 | 48 Ų | 48 | 21% | 0.211 | 24% | 0.238 | C | C | . | . | trans | -69.5 | 119.7 | 179.7 | -174.4 | -177.1 | -178 | -172.4 | 3 | 110.9 | A1568 N1570 L1574 R1595 D1602 T1603 D1629 | A1568-R1572 HydrophobicContact CB-CB 3.96Å; A1568-R1572 WeakPolarHBondContact CB-O 3.39Å; A1568-R1572 PolarHBondContact N-O 3.19Å; N1570-R1572 PolarHBondContact O-N 3.12Å; N1570-R1572 VanDerWaalsContact OD1-CB 3.31Å; N1570-R1572 WeakPolarHBondContact OD1-CB 3.44Å; R1572-L1574 HydrophobicContact CG-CD2 4.34Å; R1572-L1574 PolarHBondContact O-N 3.39Å; R1572-R1595 VanDerWaalsContact NH2-C 3.34Å; R1572-R1595 PolarHBondContact NH2-O 2.96Å; R1572-D1602 IonicContact CZ-OD1 3.15Å; R1572-D1602 IonicContact CZ-OD2 3.62Å; R1572-D1602 IonicContact NH1-OD1 2.73Å; R1572-D1602 PolarHBondContact NH1-OD1 2.89Å; R1572-D1602 IonicContact NH1-OD2 2.71Å; R1572-D1602 PolarHBondContact NH1-OD2 3.18Å; R1572-D1602 IonicContact NH2-OD1 2.9Å; R1572-D1602 PolarHBondContact NH2-OD1 2.9Å; R1572-D1602 IonicContact NH2-OD2 3.02Å; R1572-D1602 PolarHBondContact NH2-OD2 3.05Å; R1572-T1603 PolarHBondContact NH1-OG1 2.66Å; R1572-D1629 IonicContact NH1-OD2 3.99Å | ||
| 1573 | M | 92 | Very high | 89.7 | Confident | 99 Ų | 99 | 45.8 Ų | 45.8 | 49% | 0.488 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 116.5 | 174.5 | -165.4 | 178.1 | -50.9 | 0 | 0 | 110.9 | W1500 A1565 E1571 D1575 | W1500-M1573 HydrophobicContact CH2-CE 4.12Å; W1500-M1573 HydrophobicContact CH2-CG 4.19Å; W1500-M1573 HydrophobicContact CH2-SD 4.21Å; W1500-M1573 HydrophobicContact CZ2-CE 3.69Å; W1500-M1573 HydrophobicContact CZ2-SD 4.09Å; A1565-M1573 HydrophobicContact CB-CG 4.11Å; A1565-M1573 HydrophobicContact CB-SD 4.29Å; E1571-M1573 PolarHBondContact O-N 2.98Å; M1573-D1575 PolarHBondContact O-N 3.44Å |
| 1574 | L | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 86.9 | 172.3 | -56.4 | 176.5 | 0 | 0 | 0 | 108.6 | A1565 L1566 R1572 Y1594 T1603 I1605 I1625 V1632 I1635 | A1565-L1574 WeakPolarHBondContact CA-O 3.45Å; L1566-L1574 HydrophobicContact CB-CB 4.34Å; L1566-L1574 PolarHBondContact N-O 2.81Å; L1566-L1574 PolarHBondContact O-N 2.69Å; R1572-L1574 HydrophobicContact CG-CD2 4.34Å; R1572-L1574 PolarHBondContact O-N 3.39Å; L1574-Y1594 HydrophobicContact CB-CE1 4.32Å; L1574-Y1594 HydrophobicContact CB-CE2 4.3Å; L1574-Y1594 HydrophobicContact CD2-CD1 4.16Å; L1574-Y1594 HydrophobicContact CD2-CD2 4.07Å; L1574-Y1594 HydrophobicContact CD2-CE2 4.44Å; L1574-Y1594 HydrophobicContact CD2-CG 3.92Å; L1574-T1603 HydrophobicContact CD1-CG2 3.79Å; L1574-T1603 HydrophobicContact CD2-CG2 4.07Å; L1574-I1605 HydrophobicContact CB-CD1 3.94Å; L1574-I1605 HydrophobicContact CD1-CD1 4.19Å; L1574-I1625 HydrophobicContact CD1-CG2 4.42Å; L1574-V1632 HydrophobicContact CD1-CG1 3.93Å; L1574-I1635 HydrophobicContact CD1-CD1 4.13Å |
| 1575 | D | 92.4 | Very high | 86.7 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 112.1 | -178.7 | -174.2 | -21.2 | 0 | 0 | 0 | 111.4 | A1565 M1573 T1577 S1578 G1579 Y1594 R1641 | A1565-D1575 HydrophobicContact CB-CB 4.13Å; M1573-D1575 PolarHBondContact O-N 3.44Å; D1575-T1577 PolarHBondContact O-N 3.19Å; D1575-T1577 WeakPolarHBondContact OD1-CA 3.37Å; D1575-T1577 VanDerWaalsContact OD1-CB 3.26Å; D1575-T1577 WeakPolarHBondContact OD1-CB 3.36Å; D1575-T1577 WeakPolarHBondContact OD1-CG2 3.42Å; D1575-T1577 PolarHBondContact OD1-N 2.95Å; D1575-T1577 PolarHBondContact OD1-OG1 2.86Å; D1575-T1577 PolarHBondContact OD2-OG1 3.35Å; D1575-S1578 PolarHBondContact O-N 3.16Å; D1575-S1578 PolarHBondContact O-OG 3.48Å; D1575-G1579 PolarHBondContact O-N 3.4Å; D1575-Y1594 WeakPolarHBondContact O-CE1 3.45Å; D1575-Y1594 PolarHBondContact O-OH 2.91Å; D1575-Y1594 VanDerWaalsContact O-OH 3.09Å; D1575-R1641 IonicContact OD1-CZ 3.62Å; D1575-R1641 IonicContact OD1-NH2 3.98Å; D1575-R1641 PolarHBondContact OD1-NH2 3.26Å; D1575-R1641 IonicContact OD2-CZ 3.29Å; D1575-R1641 IonicContact OD2-NH1 3.39Å; D1575-R1641 IonicContact OD2-NH2 2.63Å; D1575-R1641 PolarHBondContact OD2-NH2 3.15Å |
| 1576 | L | 92.7 | Very high | 85 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -7.4 | -177.7 | -75.3 | 75.4 | 0 | 0 | 0 | 113.3 | Y1548 A1563 T1564 L1566 R1592 Y1594 I1605 L1623 | Y1548-L1576 HydrophobicContact CD2-CB 4.15Å; Y1548-L1576 HydrophobicContact CD2-CD2 3.53Å; Y1548-L1576 HydrophobicContact CD2-CG 4.46Å; Y1548-L1576 HydrophobicContact CE2-CB 4.08Å; Y1548-L1576 HydrophobicContact CE2-CD2 3.79Å; Y1548-L1576 HydrophobicContact CE2-CG 4.44Å; A1563-L1576 HydrophobicContact CB-CB 3.74Å; T1564-L1576 HydrophobicContact CG2-CD1 4.1Å; T1564-L1576 HydrophobicContact CG2-CD2 4.26Å; T1564-L1576 WeakPolarHBondContact O-CB 3.17Å; T1564-L1576 WeakPolarHBondContact O-CD1 3.45Å; T1564-L1576 PolarHBondContact O-N 3.27Å; L1566-L1576 HydrophobicContact CG-CD1 4.21Å; L1576-R1592 PolarHBondContact O-NE 2.72Å; L1576-Y1594 WeakPolarHBondContact CA-OH 3.37Å; L1576-Y1594 PolarHBondContact N-OH 3.42Å; L1576-I1605 HydrophobicContact CD1-CD1 3.68Å; L1576-I1605 HydrophobicContact CD2-CG2 4.11Å; L1576-I1605 HydrophobicContact CG-CD1 4.24Å; L1576-I1605 HydrophobicContact CG-CG2 4.47Å; L1576-L1623 HydrophobicContact CD2-CD1 3.91Å; L1576-L1623 HydrophobicContact CD2-CD2 4.01Å |
| 1577 | T | 90.8 | Very high | 83.4 | Confident | 53 Ų | 53 | 65.7 Ų | 65.7 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -22.1 | 170.4 | 72.9 | 0 | 0 | 0 | 0 | 113.5 | F1560 A1563 D1575 R1641 | F1560-T1577 WeakPolarHBondContact O-CG2 3.48Å; A1563-T1577 HydrophobicContact CB-CG2 3.86Å; D1575-T1577 PolarHBondContact O-N 3.19Å; D1575-T1577 WeakPolarHBondContact OD1-CA 3.37Å; D1575-T1577 VanDerWaalsContact OD1-CB 3.26Å; D1575-T1577 WeakPolarHBondContact OD1-CB 3.36Å; D1575-T1577 WeakPolarHBondContact OD1-CG2 3.42Å; D1575-T1577 PolarHBondContact OD1-N 2.95Å; D1575-T1577 PolarHBondContact OD1-OG1 2.86Å; D1575-T1577 PolarHBondContact OD2-OG1 3.35Å; T1577-R1641 PolarHBondContact OG1-NH1 3.14Å |
| 1578 | S | 88.7 | Confident | 82 | Confident | 89 Ų | 89 | 66.3 Ų | 66.3 | 62% | 0.622 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -17.7 | -176.9 | 70.8 | 0 | 0 | 0 | 0 | 115.2 | D1575 | D1575-S1578 PolarHBondContact O-N 3.16Å; D1575-S1578 PolarHBondContact O-OG 3.48Å |
| 1579 | G | 86.3 | Confident | 81.3 | Confident | 9 Ų | 9 | 70.5 Ų | 70.5 | 9% | 0.093 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -60.6 | 145 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | D1575 R1581 R1592 N1593 | D1575-G1579 PolarHBondContact O-N 3.4Å; G1579-R1581 PolarHBondContact O-N 2.86Å; G1579-R1592 WeakPolarHBondContact O-CD 3.42Å; G1579-N1593 CarbonylContact C-O 3.56Å; G1579-N1593 WeakPolarHBondContact CA-O 3.47Å |
| 1580 | E | 89.2 | Confident | 81.1 | Confident | 76 Ų | 76 | 68.3 Ų | 68.3 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 114.8 | -179.1 | 179.3 | -177.7 | 176.2 | 0 | 0 | 110.6 | L1582 R1592 N1593 R1595 | E1580-L1582 HydrophobicContact CG-CD2 4.14Å; E1580-L1582 PolarHBondContact O-N 3.35Å; E1580-R1592 WeakPolarHBondContact O-CA 3.22Å; E1580-N1593 HydrophobicContact CB-CB 4.16Å; E1580-N1593 PolarHBondContact N-O 2.94Å; E1580-N1593 PolarHBondContact O-N 3.28Å; E1580-R1595 IonicContact OE1-NH2 3.5Å; E1580-R1595 PolarHBondContact OE1-NH2 2.84Å; E1580-R1595 IonicContact OE2-CZ 3.61Å; E1580-R1595 VanDerWaalsContact OE2-CZ 3.24Å; E1580-R1595 IonicContact OE2-NE 2.78Å; E1580-R1595 PolarHBondContact OE2-NE 2.96Å; E1580-R1595 IonicContact OE2-NH2 2.68Å; E1580-R1595 PolarHBondContact OE2-NH2 2.99Å |
| 1581 | R | 88.3 | Confident | 81.2 | Confident | 136 Ų | 136 | 68.4 Ų | 68.4 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 107 | -174.7 | 176.9 | 166.6 | -153.4 | -150.5 | 3.3 | 112 | F1560 G1579 G1583 D1590 R1592 | F1560-R1581 VanDerWaalsContact CE2-CZ 3.5Å; F1560-R1581 VanDerWaalsContact CZ-NH2 3.28Å; G1579-R1581 PolarHBondContact O-N 2.86Å; R1581-G1583 PolarHBondContact O-N 2.9Å; R1581-D1590 IonicContact CZ-OD2 2.63Å; R1581-D1590 IonicContact NE-OD1 3.66Å; R1581-D1590 IonicContact NE-OD2 3.8Å; R1581-D1590 PolarHBondContact NE-OD2 3.02Å; R1581-D1590 IonicContact NH2-OD2 3.36Å; R1581-D1590 PolarHBondContact NH2-OD2 2.89Å; R1581-R1592 VanDerWaalsContact CG-NH1 3.28Å |
| 1582 | L | 80.8 | Confident | 81.3 | Confident | 91 Ų | 91 | 61.1 Ų | 61.1 | 48% | 0.476 | 31% | 0.314 | S | S | . | . | trans | -98.2 | 34.3 | 178.7 | -63.3 | -168.3 | 0 | 0 | 0 | 114.5 | E1580 K1591 N1593 | E1580-L1582 HydrophobicContact CG-CD2 4.14Å; E1580-L1582 PolarHBondContact O-N 3.35Å; L1582-K1591 PolarHBondContact N-O 3Å; L1582-N1593 WeakPolarHBondContact CD1-ND2 3.48Å | ||
| 1583 | G | 66.7 | Low | 81.4 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 24% | 0.237 | 31% | 0.309 | C | S | . | . | trans | 66.8 | -174.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1581 G1585 D1590 K1591 | R1581-G1583 PolarHBondContact O-N 2.9Å; G1583-G1585 PolarHBondContact O-N 3.17Å; G1583-D1590 WeakPolarHBondContact O-CA 3.45Å; G1583-K1591 PolarHBondContact O-N 2.82Å | ||
| 1584 | P | 64.1 | Low | 81.5 | Confident | 109 Ų | 109 | 55.4 Ų | 55.4 | 71% | 0.708 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -68.9 | 113.6 | 172 | 29.2 | -32.6 | 0 | 0 | 0 | 109.3 | ||
| 1585 | G | 56.3 | Low | 81.4 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 32% | 0.32 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -65.3 | 157.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G1583 Y1587 H1588 | G1583-G1585 PolarHBondContact O-N 3.17Å; G1585-Y1587 PolarHBondContact O-N 3.25Å; G1585-H1588 PolarHBondContact N-O 3.11Å; G1585-H1588 PolarHBondContact O-N 3.28Å; G1585-H1588 VanDerWaalsContact O-O 3.05Å |
| 1586 | K | 57.4 | Low | 81 | Confident | 144 Ų | 144 | 61.4 Ų | 61.4 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -16.8 | -179.6 | -171.5 | 175 | 174.3 | -177.7 | 0 | 113.9 | G1188 | G1188-K1586 PolarHBondContact O-NZ 3.48Å; G1188-K1586 VanDerWaalsContact O-NZ 3.09Å |
| 1587 | Y | 62.3 | Low | 80.6 | Confident | 136 Ų | 136 | 69.8 Ų | 69.8 | 53% | 0.533 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | 0.3 | -178.4 | -63.2 | -71.7 | 0 | 0 | 0 | 114.9 | G1188 G1585 | G1188-Y1587 WeakPolarHBondContact CA-OH 3.22Å; G1585-Y1587 PolarHBondContact O-N 3.25Å |
| 1588 | H | 64.8 | Low | 80.4 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 24% | 0.241 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -144.4 | 148.9 | -164.6 | -48.1 | -68.6 | 0 | 0 | 0 | 110.8 | G1585 D1590 I1606 E1608 | G1585-H1588 PolarHBondContact N-O 3.11Å; G1585-H1588 PolarHBondContact O-N 3.28Å; G1585-H1588 VanDerWaalsContact O-O 3.05Å; H1588-D1590 VanDerWaalsContact C-N 3.29Å; H1588-D1590 PolarHBondContact O-N 3.04Å; H1588-I1606 HydrophobicContact CB-CG2 3.62Å; H1588-I1606 VanDerWaalsContact CD2-CG2 3.49Å; H1588-I1606 WeakPolarHBondContact CD2-CG2 3.01Å; H1588-I1606 WeakPolarHBondContact ND1-CG2 3.36Å; H1588-E1608 IonicContact CE1-OE1 2.7Å; H1588-E1608 IonicContact ND1-OE1 2.95Å |
| 1589 | M | 77.9 | Confident | 80.1 | Confident | 87 Ų | 87 | 74.3 Ų | 74.3 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -66.4 | -31 | -178.9 | -65.7 | -163.7 | 71.3 | 0 | 0 | 113.1 | V1607 D1610 | M1589-V1607 PolarHBondContact N-O 3.47Å; M1589-D1610 HydrophobicContact SD-CB 4.18Å; M1589-D1610 PolarHBondContact SD-N 2.81Å |
| 1590 | D | 87.8 | Confident | 80.3 | Confident | 1 Ų | 1 | 82.4 Ų | 82.4 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 165.1 | 178 | -146.3 | -48.7 | 0 | 0 | 0 | 112.3 | Y1548 R1581 G1583 H1588 R1592 V1607 | Y1548-D1590 HydrophobicContact CE1-CB 3.92Å; Y1548-D1590 WeakPolarHBondContact OH-CB 3.28Å; Y1548-D1590 PolarHBondContact OH-OD2 2.83Å; Y1548-D1590 VanDerWaalsContact OH-OD2 3.05Å; R1581-D1590 IonicContact CZ-OD2 2.63Å; R1581-D1590 IonicContact NE-OD1 3.66Å; R1581-D1590 IonicContact NE-OD2 3.8Å; R1581-D1590 PolarHBondContact NE-OD2 3.02Å; R1581-D1590 IonicContact NH2-OD2 3.36Å; R1581-D1590 PolarHBondContact NH2-OD2 2.89Å; G1583-D1590 WeakPolarHBondContact O-CA 3.45Å; H1588-D1590 VanDerWaalsContact C-N 3.29Å; H1588-D1590 PolarHBondContact O-N 3.04Å; D1590-R1592 IonicContact OD1-NH1 3.76Å; D1590-R1592 PolarHBondContact OD1-NH1 2.74Å; D1590-R1592 IonicContact OD2-CZ 2.65Å; D1590-R1592 IonicContact OD2-NH1 3.76Å; D1590-R1592 PolarHBondContact OD2-NH1 3.1Å; D1590-V1607 HydrophobicContact CB-CB 4.24Å; D1590-V1607 HydrophobicContact CB-CG2 4.32Å; D1590-V1607 PolarHBondContact N-O 3.49Å; D1590-V1607 PolarHBondContact O-N 2.89Å |
| 1591 | K | 91.2 | Very high | 80.3 | Confident | 52 Ų | 52 | 81.1 Ų | 81.1 | 23% | 0.226 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 128.9 | 165.1 | -169.2 | 167.9 | -168.6 | 161.6 | 0 | 110.5 | L1582 G1583 S1604 I1605 I1606 E1626 | L1582-K1591 PolarHBondContact N-O 3Å; G1583-K1591 PolarHBondContact O-N 2.82Å; K1591-S1604 WeakPolarHBondContact CE-OG 3.5Å; K1591-I1605 WeakPolarHBondContact CA-O 3.44Å; K1591-I1606 HydrophobicContact CD-CD1 4.43Å; K1591-I1606 HydrophobicContact CD-CG1 3.83Å; K1591-I1606 HydrophobicContact CG-CG1 3.96Å; K1591-E1626 IonicContact NZ-OE2 3.79Å; K1591-E1626 PolarHBondContact NZ-OE2 3.28Å |
| 1592 | R | 92.5 | Very high | 80.5 | Confident | 10 Ų | 10 | 75.1 Ų | 75.1 | 4% | 0.038 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 109.9 | 175.1 | -72.4 | -71.6 | -172.2 | -78.4 | -5.8 | 109.5 | Y1548 L1576 G1579 E1580 R1581 D1590 Y1594 S1604 I1605 | Y1548-R1592 HydrophobicContact CE2-CG 4.4Å; Y1548-R1592 PolarHBondContact OH-NH1 2.96Å; Y1548-R1592 PolarHBondContact OH-NH2 2.81Å; Y1548-R1592 VanDerWaalsContact OH-NH2 3.13Å; L1576-R1592 PolarHBondContact O-NE 2.72Å; G1579-R1592 WeakPolarHBondContact O-CD 3.42Å; E1580-R1592 WeakPolarHBondContact O-CA 3.22Å; R1581-R1592 VanDerWaalsContact CG-NH1 3.28Å; D1590-R1592 IonicContact OD1-NH1 3.76Å; D1590-R1592 PolarHBondContact OD1-NH1 2.74Å; D1590-R1592 IonicContact OD2-CZ 2.65Å; D1590-R1592 IonicContact OD2-NH1 3.76Å; D1590-R1592 PolarHBondContact OD2-NH1 3.1Å; R1592-Y1594 HydrophobicContact CB-CE2 4.15Å; R1592-S1604 CarbonylContact O-C 3.42Å; R1592-S1604 WeakPolarHBondContact O-CA 3.34Å; R1592-I1605 HydrophobicContact CB-CB 4.42Å; R1592-I1605 PolarHBondContact N-O 3.44Å; R1592-I1605 PolarHBondContact O-N 2.94Å |
| 1593 | N | 93.6 | Very high | 81.2 | Confident | 18 Ų | 18 | 70.8 Ų | 70.8 | 10% | 0.096 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 142.8 | 174.2 | -75.3 | 12 | 0 | 0 | 0 | 110.9 | G1579 E1580 L1582 V1601 S1604 | G1579-N1593 CarbonylContact C-O 3.56Å; G1579-N1593 WeakPolarHBondContact CA-O 3.47Å; E1580-N1593 HydrophobicContact CB-CB 4.16Å; E1580-N1593 PolarHBondContact N-O 2.94Å; E1580-N1593 PolarHBondContact O-N 3.28Å; L1582-N1593 WeakPolarHBondContact CD1-ND2 3.48Å; N1593-V1601 HydrophobicContact CB-CG1 3.91Å; N1593-V1601 HydrophobicContact CB-CG2 4.14Å; N1593-S1604 PolarHBondContact OD1-OG 2.82Å |
| 1594 | Y | 94.1 | Very high | 82.5 | Confident | 18 Ų | 18 | 70.3 Ų | 70.3 | 7% | 0.071 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 150.7 | 169.6 | -56.5 | -92.6 | 0 | 0 | 0 | 108.5 | L1574 D1575 L1576 R1592 V1601 D1602 T1603 I1605 | L1574-Y1594 HydrophobicContact CB-CE1 4.32Å; L1574-Y1594 HydrophobicContact CB-CE2 4.3Å; L1574-Y1594 HydrophobicContact CD2-CD1 4.16Å; L1574-Y1594 HydrophobicContact CD2-CD2 4.07Å; L1574-Y1594 HydrophobicContact CD2-CE2 4.44Å; L1574-Y1594 HydrophobicContact CD2-CG 3.92Å; D1575-Y1594 WeakPolarHBondContact O-CE1 3.45Å; D1575-Y1594 PolarHBondContact O-OH 2.91Å; D1575-Y1594 VanDerWaalsContact O-OH 3.09Å; L1576-Y1594 WeakPolarHBondContact CA-OH 3.37Å; L1576-Y1594 PolarHBondContact N-OH 3.42Å; R1592-Y1594 HydrophobicContact CB-CE2 4.15Å; Y1594-V1601 WeakPolarHBondContact O-CA 3.49Å; Y1594-D1602 PolarHBondContact O-N 3.13Å; Y1594-T1603 HydrophobicContact CD2-CG2 4.48Å; Y1594-T1603 PolarHBondContact N-O 2.76Å; Y1594-I1605 HydrophobicContact CE2-CB 4.27Å; Y1594-I1605 HydrophobicContact CE2-CD1 3.73Å; Y1594-I1605 HydrophobicContact CE2-CG1 3.77Å |
| 1595 | R | 90.6 | Very high | 84 | Confident | 103 Ų | 103 | 65.1 Ų | 65.1 | 39% | 0.389 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 149.9 | -177.6 | -60.5 | 178.5 | 178.8 | -126.9 | 4.2 | 110 | R1572 E1580 D1599 R1600 V1601 | R1572-R1595 VanDerWaalsContact NH2-C 3.34Å; R1572-R1595 PolarHBondContact NH2-O 2.96Å; E1580-R1595 IonicContact OE1-NH2 3.5Å; E1580-R1595 PolarHBondContact OE1-NH2 2.84Å; E1580-R1595 IonicContact OE2-CZ 3.61Å; E1580-R1595 VanDerWaalsContact OE2-CZ 3.24Å; E1580-R1595 IonicContact OE2-NE 2.78Å; E1580-R1595 PolarHBondContact OE2-NE 2.96Å; E1580-R1595 IonicContact OE2-NH2 2.68Å; E1580-R1595 PolarHBondContact OE2-NH2 2.99Å; R1595-D1599 WeakPolarHBondContact CD-O 3.47Å; R1595-D1599 WeakPolarHBondContact CD-OD1 3.41Å; R1595-D1599 PolarHBondContact NH1-O 3.04Å; R1595-D1599 IonicContact NH1-OD1 3.15Å; R1595-D1599 IonicContact NH1-OD2 3.25Å; R1595-D1599 PolarHBondContact NH1-OD2 3.3Å; R1595-R1600 VanDerWaalsContact CA-O 3.29Å; R1595-R1600 WeakPolarHBondContact CA-O 2.92Å; R1595-V1601 HydrophobicContact CG-CG2 3.9Å |
| 1596 | N | 85.6 | Confident | 85.7 | Confident | 52 Ų | 52 | 64 Ų | 64 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | trans | -88.5 | -178.3 | 173.3 | 61.1 | 24.5 | 0 | 0 | 0 | 112 | L1598 D1599 R1600 D1602 | N1596-L1598 PolarHBondContact O-N 2.9Å; N1596-L1598 WeakPolarHBondContact OD1-CA 3.42Å; N1596-L1598 WeakPolarHBondContact OD1-CB 3.41Å; N1596-L1598 PolarHBondContact OD1-N 2.81Å; N1596-D1599 PolarHBondContact O-N 2.89Å; N1596-R1600 PolarHBondContact N-O 2.82Å; N1596-R1600 PolarHBondContact OD1-N 2.9Å; N1596-R1600 PolarHBondContact OD1-O 2.7Å; N1596-D1602 HydrophobicContact CB-CB 4.36Å; N1596-D1602 WeakPolarHBondContact CB-OD2 3.39Å; N1596-D1602 PolarHBondContact N-OD1 2.82Å | ||
| 1597 | N | 83.9 | Confident | 87.4 | Confident | 176 Ų | 176 | 57.1 Ų | 57.1 | 94% | 0.941 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -2.8 | 177.7 | -59.5 | -15.3 | 0 | 0 | 0 | 114.4 | ||
| 1598 | L | 86.1 | Confident | 88.8 | Confident | 129 Ų | 129 | 53.3 Ų | 53.3 | 68% | 0.675 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 14.4 | 174.3 | -54.9 | 175.4 | 0 | 0 | 0 | 112.4 | N1596 R1600 | N1596-L1598 PolarHBondContact O-N 2.9Å; N1596-L1598 WeakPolarHBondContact OD1-CA 3.42Å; N1596-L1598 WeakPolarHBondContact OD1-CB 3.41Å; N1596-L1598 PolarHBondContact OD1-N 2.81Å; L1598-R1600 HydrophobicContact CB-CG 4.42Å; L1598-R1600 PolarHBondContact O-N 2.76Å |
| 1599 | D | 83.5 | Confident | 90.1 | Very high | 108 Ų | 108 | 54.9 Ų | 54.9 | 58% | 0.578 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 57.5 | 12.5 | -174.7 | -164.1 | 46.8 | 0 | 0 | 0 | 115.2 | R1595 N1596 | R1595-D1599 WeakPolarHBondContact CD-O 3.47Å; R1595-D1599 WeakPolarHBondContact CD-OD1 3.41Å; R1595-D1599 PolarHBondContact NH1-O 3.04Å; R1595-D1599 IonicContact NH1-OD1 3.15Å; R1595-D1599 IonicContact NH1-OD2 3.25Å; R1595-D1599 PolarHBondContact NH1-OD2 3.3Å; N1596-D1599 PolarHBondContact O-N 2.89Å |
| 1600 | R | 89 | Confident | 90.7 | Very high | 178 Ų | 178 | 51 Ų | 51 | 67% | 0.672 | 24% | 0.242 | S | C | * | . | trans | -85.8 | 133.2 | 177.5 | -64 | -179.5 | -178.3 | -169.4 | -2.1 | 109.4 | R1595 N1596 L1598 D1602 | R1595-R1600 VanDerWaalsContact CA-O 3.29Å; R1595-R1600 WeakPolarHBondContact CA-O 2.92Å; N1596-R1600 PolarHBondContact N-O 2.82Å; N1596-R1600 PolarHBondContact OD1-N 2.9Å; N1596-R1600 PolarHBondContact OD1-O 2.7Å; L1598-R1600 HydrophobicContact CB-CG 4.42Å; L1598-R1600 PolarHBondContact O-N 2.76Å; R1600-D1602 PolarHBondContact O-N 2.69Å; R1600-D1602 VanDerWaalsContact O-N 3.15Å | ||
| 1601 | V | 90.1 | Very high | 90.9 | Very high | 49 Ų | 49 | 51.8 Ų | 51.8 | 30% | 0.297 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 115.8 | 168 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | N1593 Y1594 R1595 | N1593-V1601 HydrophobicContact CB-CG1 3.91Å; N1593-V1601 HydrophobicContact CB-CG2 4.14Å; Y1594-V1601 WeakPolarHBondContact O-CA 3.49Å; R1595-V1601 HydrophobicContact CG-CG2 3.9Å |
| 1602 | D | 92.9 | Very high | 91 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 6% | 0.059 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | -34.5 | -175.5 | 67 | -37.1 | 0 | 0 | 0 | 112.2 | R1572 Y1594 N1596 R1600 T1627 R1628 | R1572-D1602 IonicContact CZ-OD1 3.15Å; R1572-D1602 IonicContact CZ-OD2 3.62Å; R1572-D1602 IonicContact NH1-OD1 2.73Å; R1572-D1602 PolarHBondContact NH1-OD1 2.89Å; R1572-D1602 IonicContact NH1-OD2 2.71Å; R1572-D1602 PolarHBondContact NH1-OD2 3.18Å; R1572-D1602 IonicContact NH2-OD1 2.9Å; R1572-D1602 PolarHBondContact NH2-OD1 2.9Å; R1572-D1602 IonicContact NH2-OD2 3.02Å; R1572-D1602 PolarHBondContact NH2-OD2 3.05Å; Y1594-D1602 PolarHBondContact O-N 3.13Å; N1596-D1602 HydrophobicContact CB-CB 4.36Å; N1596-D1602 WeakPolarHBondContact CB-OD2 3.39Å; N1596-D1602 PolarHBondContact N-OD1 2.82Å; R1600-D1602 PolarHBondContact O-N 2.69Å; R1600-D1602 VanDerWaalsContact O-N 3.15Å; D1602-T1627 CarbonylContact O-C 3.57Å; D1602-T1627 WeakPolarHBondContact O-CA 3.4Å; D1602-T1627 PolarHBondContact O-OG1 2.85Å; D1602-R1628 PolarHBondContact O-N 3.02Å |
| 1603 | T | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 148.9 | 172.6 | -52.5 | 0 | 0 | 0 | 0 | 111.1 | R1572 L1574 Y1594 I1625 E1626 T1627 V1632 | R1572-T1603 PolarHBondContact NH1-OG1 2.66Å; L1574-T1603 HydrophobicContact CD1-CG2 3.79Å; L1574-T1603 HydrophobicContact CD2-CG2 4.07Å; Y1594-T1603 HydrophobicContact CD2-CG2 4.48Å; Y1594-T1603 PolarHBondContact N-O 2.76Å; T1603-I1625 HydrophobicContact CG2-CG2 4.05Å; T1603-E1626 CarbonylContact C-O 3.56Å; T1603-E1626 WeakPolarHBondContact CA-O 3.42Å; T1603-T1627 PolarHBondContact OG1-OG1 2.66Å; T1603-V1632 HydrophobicContact CG2-CG1 4.12Å |
| 1604 | S | 94.3 | Very high | 90.6 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 134.5 | -179.6 | -77.6 | 0 | 0 | 0 | 0 | 110.3 | K1591 R1592 N1593 I1625 E1626 | K1591-S1604 WeakPolarHBondContact CE-OG 3.5Å; R1592-S1604 CarbonylContact O-C 3.42Å; R1592-S1604 WeakPolarHBondContact O-CA 3.34Å; N1593-S1604 PolarHBondContact OD1-OG 2.82Å; S1604-I1625 CarbonylContact O-C 3.41Å; S1604-I1625 WeakPolarHBondContact O-CA 3.48Å; S1604-E1626 PolarHBondContact N-O 2.65Å; S1604-E1626 PolarHBondContact O-N 2.8Å |
| 1605 | I | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 114.7 | 170.2 | -59.8 | 179.9 | 0 | 0 | 0 | 108.3 | L1566 L1574 L1576 K1591 R1592 Y1594 L1623 I1625 | L1566-I1605 HydrophobicContact CD1-CD1 3.8Å; L1566-I1605 HydrophobicContact CG-CD1 4.45Å; L1574-I1605 HydrophobicContact CB-CD1 3.94Å; L1574-I1605 HydrophobicContact CD1-CD1 4.19Å; L1576-I1605 HydrophobicContact CD1-CD1 3.68Å; L1576-I1605 HydrophobicContact CD2-CG2 4.11Å; L1576-I1605 HydrophobicContact CG-CD1 4.24Å; L1576-I1605 HydrophobicContact CG-CG2 4.47Å; K1591-I1605 WeakPolarHBondContact CA-O 3.44Å; R1592-I1605 HydrophobicContact CB-CB 4.42Å; R1592-I1605 PolarHBondContact N-O 3.44Å; R1592-I1605 PolarHBondContact O-N 2.94Å; Y1594-I1605 HydrophobicContact CE2-CB 4.27Å; Y1594-I1605 HydrophobicContact CE2-CD1 3.73Å; Y1594-I1605 HydrophobicContact CE2-CG1 3.77Å; I1605-L1623 HydrophobicContact CG2-CB 4.17Å; I1605-L1623 HydrophobicContact CG2-CD1 4.42Å; I1605-L1623 HydrophobicContact CG2-CD2 4.3Å; I1605-I1625 HydrophobicContact CD1-CG1 4.35Å; I1605-I1625 HydrophobicContact CG1-CB 4.5Å; I1605-I1625 HydrophobicContact CG1-CG1 4.03Å; I1605-I1625 HydrophobicContact CG1-CG2 4.17Å |
| 1606 | I | 93.2 | Very high | 89.8 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 129.1 | 173.7 | -65.4 | 173.3 | 0 | 0 | 0 | 107.8 | H1588 K1591 E1608 L1623 L1624 E1626 | H1588-I1606 HydrophobicContact CB-CG2 3.62Å; H1588-I1606 VanDerWaalsContact CD2-CG2 3.49Å; H1588-I1606 WeakPolarHBondContact CD2-CG2 3.01Å; H1588-I1606 WeakPolarHBondContact ND1-CG2 3.36Å; K1591-I1606 HydrophobicContact CD-CD1 4.43Å; K1591-I1606 HydrophobicContact CD-CG1 3.83Å; K1591-I1606 HydrophobicContact CG-CG1 3.96Å; I1606-E1608 HydrophobicContact CG2-CG 4.27Å; I1606-L1623 WeakPolarHBondContact O-CA 3.19Å; I1606-L1624 HydrophobicContact CB-CB 4.22Å; I1606-L1624 HydrophobicContact CD1-CD2 4.15Å; I1606-L1624 PolarHBondContact N-O 2.96Å; I1606-L1624 PolarHBondContact O-N 2.6Å; I1606-E1626 HydrophobicContact CD1-CG 4.23Å; I1606-E1626 WeakPolarHBondContact CD1-OE2 3.33Å |
| 1607 | V | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 99.1 | 172.4 | -172.7 | 0 | 0 | 0 | 0 | 107.8 | Y1548 M1589 D1590 D1610 T1621 L1623 | Y1548-V1607 HydrophobicContact CD1-CB 4.36Å; Y1548-V1607 HydrophobicContact CD1-CG1 3.83Å; Y1548-V1607 HydrophobicContact CD1-CG2 4.01Å; Y1548-V1607 HydrophobicContact CD2-CG2 4.08Å; Y1548-V1607 HydrophobicContact CE1-CB 4.12Å; Y1548-V1607 HydrophobicContact CE1-CG1 4.05Å; Y1548-V1607 HydrophobicContact CE1-CG2 3.69Å; Y1548-V1607 HydrophobicContact CE2-CG2 3.77Å; Y1548-V1607 HydrophobicContact CG-CG1 4.3Å; Y1548-V1607 HydrophobicContact CG-CG2 4.16Å; M1589-V1607 PolarHBondContact N-O 3.47Å; D1590-V1607 HydrophobicContact CB-CB 4.24Å; D1590-V1607 HydrophobicContact CB-CG2 4.32Å; D1590-V1607 PolarHBondContact N-O 3.49Å; D1590-V1607 PolarHBondContact O-N 2.89Å; V1607-D1610 HydrophobicContact CG1-CB 4.07Å; V1607-T1621 HydrophobicContact CG1-CG2 4.49Å; V1607-L1623 HydrophobicContact CB-CD2 4.35Å; V1607-L1623 HydrophobicContact CG1-CD2 4.17Å; V1607-L1623 HydrophobicContact CG2-CD2 3.79Å |
| 1608 | E | 91.1 | Very high | 89.6 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -49.8 | -175.8 | -60.8 | -152.1 | 112.7 | 0 | 0 | 110.7 | H1588 I1606 K1622 L1624 | H1588-E1608 IonicContact CE1-OE1 2.7Å; H1588-E1608 IonicContact ND1-OE1 2.95Å; I1606-E1608 HydrophobicContact CG2-CG 4.27Å; E1608-K1622 PolarHBondContact N-O 2.76Å; E1608-K1622 WeakPolarHBondContact OE2-CD 3.35Å; E1608-K1622 WeakPolarHBondContact OE2-CE 3.46Å; E1608-K1622 IonicContact OE2-NZ 3.34Å; E1608-K1622 PolarHBondContact OE2-NZ 3.17Å; E1608-L1624 HydrophobicContact CG-CB 4.36Å |
| 1609 | Y | 91.3 | Very high | 89.8 | Confident | 85 Ų | 85 | 49.8 Ų | 49.8 | 33% | 0.333 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 149 | 172.8 | 71.3 | -91.2 | 0 | 0 | 0 | 110.8 | E1539 A1620 T1621 K1622 | E1539-Y1609 PolarHBondContact OE1-OH 3.26Å; Y1609-A1620 WeakPolarHBondContact CD2-O 3.44Å; Y1609-A1620 VanDerWaalsContact CE2-C 3.49Å; Y1609-A1620 HydrophobicContact CE2-CB 3.84Å; Y1609-A1620 WeakPolarHBondContact CE2-O 3.14Å; Y1609-A1620 WeakPolarHBondContact OH-CB 3.44Å; Y1609-T1621 CarbonylContact O-C 3.35Å; Y1609-T1621 WeakPolarHBondContact O-CA 3.01Å; Y1609-K1622 HydrophobicContact CD1-CB 3.71Å; Y1609-K1622 HydrophobicContact CE1-CB 3.29Å; Y1609-K1622 HydrophobicContact CE1-CD 4.01Å; Y1609-K1622 HydrophobicContact CE1-CG 4.26Å; Y1609-K1622 PolarHBondContact O-N 2.94Å |
| 1610 | D | 92 | Very high | 90.3 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 93.6 | 178.1 | -179.8 | 24.6 | 0 | 0 | 0 | 110.4 | Y1548 G1549 M1589 V1607 Q1613 T1621 | Y1548-D1610 HydrophobicContact CD1-CB 4.31Å; Y1548-D1610 WeakPolarHBondContact CD1-OD2 3.36Å; G1549-D1610 WeakPolarHBondContact CA-OD2 3.33Å; G1549-D1610 PolarHBondContact N-OD2 3.17Å; M1589-D1610 HydrophobicContact SD-CB 4.18Å; M1589-D1610 PolarHBondContact SD-N 2.81Å; V1607-D1610 HydrophobicContact CG1-CB 4.07Å; D1610-Q1613 PolarHBondContact O-NE2 3.45Å; D1610-Q1613 PolarHBondContact OD1-N 3.03Å; D1610-T1621 WeakPolarHBondContact CA-OG1 3.44Å; D1610-T1621 HydrophobicContact CB-CG2 3.96Å; D1610-T1621 WeakPolarHBondContact OD1-CG2 3.04Å; D1610-T1621 PolarHBondContact OD1-OG1 2.72Å |
| 1611 | G | 91.6 | Very high | 90.5 | Very high | 17 Ų | 17 | 37 Ų | 37 | 18% | 0.175 | 20% | 0.204 | C | C | . | . | trans | -87.6 | -26.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q1613 Y1614 A1620 T1621 | G1611-Q1613 PolarHBondContact O-N 2.95Å; G1611-Y1614 WeakPolarHBondContact O-CD2 3.49Å; G1611-Y1614 PolarHBondContact O-N 3.45Å; G1611-Y1614 VanDerWaalsContact O-N 3.15Å; G1611-A1620 VanDerWaalsContact CA-O 3.28Å; G1611-A1620 WeakPolarHBondContact CA-O 3.2Å; G1611-A1620 PolarHBondContact N-O 2.8Å; G1611-T1621 PolarHBondContact N-OG1 2.56Å | ||
| 1612 | C | 91.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -64.1 | -23.2 | -176.6 | -61.1 | 0 | 0 | 0 | 0 | 113.6 | C1542 I1547 Y1614 L1615 T1621 | C1542-C1612 HydrophobicContact CB-CB 3.93Å; C1542-C1612 WeakPolarHBondContact CB-SG 3.31Å; C1542-C1612 WeakPolarHBondContact SG-CA 3.18Å; C1542-C1612 WeakPolarHBondContact SG-CB 3.28Å; C1542-C1612 CovalentContact SG-SG 2.03Å; C1542-C1612 PolarHBondContact SG-SG 3.22Å; I1547-C1612 HydrophobicContact CB-CB 4.15Å; I1547-C1612 HydrophobicContact CG1-CB 4.02Å; C1612-Y1614 PolarHBondContact O-N 2.66Å; C1612-L1615 PolarHBondContact O-N 2.68Å; C1612-T1621 VanDerWaalsContact CB-OG1 3.26Å; C1612-T1621 WeakPolarHBondContact CB-OG1 3.11Å; C1612-T1621 PolarHBondContact N-OG1 2.81Å; C1612-T1621 PolarHBondContact SG-OG1 3.41Å |
| 1613 | Q | 90.5 | Very high | 90.8 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -54.8 | -22.3 | 172.7 | 71.5 | -177.6 | -55.7 | 0 | 0 | 114.9 | G1549 W1551 S1558 D1610 G1611 | G1549-Q1613 VanDerWaalsContact O-CA 3.24Å; G1549-Q1613 WeakPolarHBondContact O-CA 3.4Å; G1549-Q1613 WeakPolarHBondContact O-CB 3.35Å; W1551-Q1613 HydrophobicContact CB-CB 4.38Å; W1551-Q1613 HydrophobicContact CB-CG 4.35Å; W1551-Q1613 WeakPolarHBondContact CB-O 3.38Å; W1551-Q1613 PolarHBondContact N-O 3.37Å; S1558-Q1613 PolarHBondContact OG-OE1 3.24Å; D1610-Q1613 PolarHBondContact O-NE2 3.45Å; D1610-Q1613 PolarHBondContact OD1-N 3.03Å; G1611-Q1613 PolarHBondContact O-N 2.95Å |
| 1614 | Y | 88.5 | Confident | 90.8 | Very high | 116 Ų | 116 | 36.8 Ų | 36.8 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -93.5 | 0.6 | 179.9 | -57.3 | -67.6 | 0 | 0 | 0 | 114.1 | W1551 G1611 C1612 T1616 | W1551-Y1614 HydrophobicContact CB-CD1 3.87Å; W1551-Y1614 HydrophobicContact CB-CE1 4Å; W1551-Y1614 HydrophobicContact CD2-CD1 4.41Å; W1551-Y1614 AromaticContact CD2-CE1 3.78Å; W1551-Y1614 HydrophobicContact CD2-CE1 3.78Å; W1551-Y1614 HydrophobicContact CE3-CE1 4.13Å; W1551-Y1614 AromaticContact CG-CD1 3.83Å; W1551-Y1614 HydrophobicContact CG-CD1 3.83Å; W1551-Y1614 AromaticContact CG-CE1 3.68Å; W1551-Y1614 HydrophobicContact CG-CE1 3.68Å; G1611-Y1614 WeakPolarHBondContact O-CD2 3.49Å; G1611-Y1614 PolarHBondContact O-N 3.45Å; G1611-Y1614 VanDerWaalsContact O-N 3.15Å; C1612-Y1614 PolarHBondContact O-N 2.66Å; Y1614-T1616 PolarHBondContact O-N 3.03Å |
| 1615 | L | 85.2 | Confident | 90.9 | Very high | 85 Ų | 85 | 36.2 Ų | 36.2 | 45% | 0.445 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 15.9 | -179.7 | -55.4 | 164.8 | 0 | 0 | 0 | 114.5 | G1544 E1546 C1612 | G1544-L1615 WeakPolarHBondContact O-CD2 3.19Å; E1546-L1615 HydrophobicContact CG-CD2 3.7Å; E1546-L1615 HydrophobicContact CG-CG 4.48Å; C1612-L1615 PolarHBondContact O-N 2.68Å |
| 1616 | T | 83.4 | Confident | 90.9 | Very high | 76 Ų | 76 | 39.9 Ų | 39.9 | 47% | 0.466 | 21% | 0.213 | S | C | . | . | trans | -78.1 | 132.5 | -176.2 | 44.2 | 0 | 0 | 0 | 0 | 111.8 | Y1614 G1618 A1619 | Y1614-T1616 PolarHBondContact O-N 3.03Å; T1616-G1618 PolarHBondContact O-N 2.03Å; T1616-A1619 WeakPolarHBondContact O-CB 3.26Å; T1616-A1619 PolarHBondContact O-N 3.02Å; T1616-A1619 VanDerWaalsContact O-N 3.14Å; T1616-A1619 WeakPolarHBondContact OG1-CB 3.06Å | ||
| 1617 | K | 82.9 | Confident | 91 | Very high | 152 Ų | 152 | 39.7 Ų | 39.7 | 66% | 0.661 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 125.1 | 178.1 | -59.4 | -144.9 | 161.3 | -79.7 | 0 | 112 | D1543 A1619 | D1543-K1617 WeakPolarHBondContact OD1-CG 3.32Å; D1543-K1617 IonicContact OD1-NZ 3.98Å; D1543-K1617 PolarHBondContact OD1-NZ 2.85Å; D1543-K1617 WeakPolarHBondContact OD2-CD 3.39Å; D1543-K1617 IonicContact OD2-NZ 2.66Å; D1543-K1617 PolarHBondContact OD2-NZ 3.42Å; K1617-A1619 VanDerWaalsContact C-N 3.29Å; K1617-A1619 PolarHBondContact O-N 3.27Å |
| 1618 | G | 81.3 | Confident | 91.1 | Very high | 68 Ų | 68 | 47.6 Ų | 47.6 | 70% | 0.701 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 19.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | C1542 T1616 | C1542-G1618 PolarHBondContact O-N 2.81Å; T1616-G1618 PolarHBondContact O-N 2.03Å |
| 1619 | A | 91.2 | Very high | 91.1 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 13% | 0.132 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 172 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1541 C1542 T1616 K1617 | L1541-A1619 CarbonylContact C-O 3.32Å; L1541-A1619 WeakPolarHBondContact CA-O 3.29Å; C1542-A1619 PolarHBondContact N-O 3.2Å; C1542-A1619 PolarHBondContact O-N 3.38Å; C1542-A1619 VanDerWaalsContact SG-C 3.52Å; C1542-A1619 PolarHBondContact SG-O 2.87Å; T1616-A1619 WeakPolarHBondContact O-CB 3.26Å; T1616-A1619 PolarHBondContact O-N 3.02Å; T1616-A1619 VanDerWaalsContact O-N 3.14Å; T1616-A1619 WeakPolarHBondContact OG1-CB 3.06Å; K1617-A1619 VanDerWaalsContact C-N 3.29Å; K1617-A1619 PolarHBondContact O-N 3.27Å |
| 1620 | A | 92.8 | Very high | 91.2 | Very high | 16 Ų | 16 | 44 Ų | 44 | 13% | 0.132 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 163.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1540 L1541 Y1609 G1611 | F1540-A1620 CarbonylContact O-C 3.52Å; F1540-A1620 WeakPolarHBondContact O-CA 3.45Å; F1540-A1620 VanDerWaalsContact O-CB 3.31Å; F1540-A1620 WeakPolarHBondContact O-CB 3.38Å; L1541-A1620 HydrophobicContact CG-CB 4.16Å; Y1609-A1620 WeakPolarHBondContact CD2-O 3.44Å; Y1609-A1620 VanDerWaalsContact CE2-C 3.49Å; Y1609-A1620 HydrophobicContact CE2-CB 3.84Å; Y1609-A1620 WeakPolarHBondContact CE2-O 3.14Å; Y1609-A1620 WeakPolarHBondContact OH-CB 3.44Å; G1611-A1620 VanDerWaalsContact CA-O 3.28Å; G1611-A1620 WeakPolarHBondContact CA-O 3.2Å; G1611-A1620 PolarHBondContact N-O 2.8Å |
| 1621 | T | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 123 | 174.9 | -64.6 | 0 | 0 | 0 | 0 | 108.6 | F1540 I1547 V1607 Y1609 D1610 G1611 C1612 L1623 | F1540-T1621 PolarHBondContact N-O 3.13Å; F1540-T1621 PolarHBondContact O-N 2.69Å; I1547-T1621 HydrophobicContact CB-CG2 4.24Å; I1547-T1621 HydrophobicContact CG2-CG2 3.92Å; V1607-T1621 HydrophobicContact CG1-CG2 4.49Å; Y1609-T1621 CarbonylContact O-C 3.35Å; Y1609-T1621 WeakPolarHBondContact O-CA 3.01Å; D1610-T1621 WeakPolarHBondContact CA-OG1 3.44Å; D1610-T1621 HydrophobicContact CB-CG2 3.96Å; D1610-T1621 WeakPolarHBondContact OD1-CG2 3.04Å; D1610-T1621 PolarHBondContact OD1-OG1 2.72Å; G1611-T1621 PolarHBondContact N-OG1 2.56Å; C1612-T1621 VanDerWaalsContact CB-OG1 3.26Å; C1612-T1621 WeakPolarHBondContact CB-OG1 3.11Å; C1612-T1621 PolarHBondContact N-OG1 2.81Å; C1612-T1621 PolarHBondContact SG-OG1 3.41Å; T1621-L1623 HydrophobicContact CG2-CD2 4.41Å |
| 1622 | K | 94.5 | Very high | 91.2 | Very high | 29 Ų | 29 | 48.8 Ų | 48.8 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.2 | -176.1 | -173.1 | 177.2 | 176.7 | -136.5 | 0 | 111.8 | E1537 L1538 E1539 E1608 Y1609 | E1537-K1622 IonicContact OE1-NZ 3.32Å; E1537-K1622 PolarHBondContact OE1-NZ 3.48Å; E1537-K1622 WeakPolarHBondContact OE2-CE 3.31Å; E1537-K1622 IonicContact OE2-NZ 2.76Å; E1537-K1622 PolarHBondContact OE2-NZ 3.18Å; L1538-K1622 WeakPolarHBondContact O-CA 3Å; E1539-K1622 HydrophobicContact CB-CB 4.42Å; E1539-K1622 HydrophobicContact CB-CG 4.18Å; E1539-K1622 HydrophobicContact CG-CB 4.4Å; E1608-K1622 PolarHBondContact N-O 2.76Å; E1608-K1622 WeakPolarHBondContact OE2-CD 3.35Å; E1608-K1622 WeakPolarHBondContact OE2-CE 3.46Å; E1608-K1622 IonicContact OE2-NZ 3.34Å; E1608-K1622 PolarHBondContact OE2-NZ 3.17Å; Y1609-K1622 HydrophobicContact CD1-CB 3.71Å; Y1609-K1622 HydrophobicContact CE1-CB 3.29Å; Y1609-K1622 HydrophobicContact CE1-CD 4.01Å; Y1609-K1622 HydrophobicContact CE1-CG 4.26Å; Y1609-K1622 PolarHBondContact O-N 2.94Å |
| 1623 | L | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131 | 176.6 | -52.3 | -175.6 | 0 | 0 | 0 | 109.5 | E1537 L1538 F1540 T1564 L1566 L1576 I1605 I1606 V1607 T1621 I1625 | E1537-L1623 WeakPolarHBondContact CA-O 3.45Å; L1538-L1623 PolarHBondContact N-O 3.05Å; L1538-L1623 PolarHBondContact O-N 3.22Å; F1540-L1623 HydrophobicContact CE2-CD1 3.89Å; F1540-L1623 HydrophobicContact CE2-CG 4.25Å; T1564-L1623 HydrophobicContact CG2-CD1 4.07Å; L1566-L1623 HydrophobicContact CD1-CD1 4.32Å; L1576-L1623 HydrophobicContact CD2-CD1 3.91Å; L1576-L1623 HydrophobicContact CD2-CD2 4.01Å; I1605-L1623 HydrophobicContact CG2-CB 4.17Å; I1605-L1623 HydrophobicContact CG2-CD1 4.42Å; I1605-L1623 HydrophobicContact CG2-CD2 4.3Å; I1606-L1623 WeakPolarHBondContact O-CA 3.19Å; V1607-L1623 HydrophobicContact CB-CD2 4.35Å; V1607-L1623 HydrophobicContact CG1-CD2 4.17Å; V1607-L1623 HydrophobicContact CG2-CD2 3.79Å; T1621-L1623 HydrophobicContact CG2-CD2 4.41Å; L1623-I1625 HydrophobicContact CB-CD1 4.49Å |
| 1624 | L | 95 | Very high | 91.5 | Very high | 28 Ų | 28 | 48.7 Ų | 48.7 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 115 | 166.6 | 166.5 | 63 | 0 | 0 | 0 | 107.8 | E1537 I1606 E1608 E1626 | E1537-L1624 HydrophobicContact CG-CD1 4Å; I1606-L1624 HydrophobicContact CB-CB 4.22Å; I1606-L1624 HydrophobicContact CD1-CD2 4.15Å; I1606-L1624 PolarHBondContact N-O 2.96Å; I1606-L1624 PolarHBondContact O-N 2.6Å; E1608-L1624 HydrophobicContact CG-CB 4.36Å; L1624-E1626 HydrophobicContact CG-CG 4.37Å |
| 1625 | I | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 126.1 | 174.5 | -51 | 86.2 | 0 | 0 | 0 | 107.7 | S1535 Q1536 L1538 L1566 L1574 T1603 S1604 I1605 L1623 L1633 I1635 | S1535-I1625 CarbonylContact C-O 3.58Å; S1535-I1625 WeakPolarHBondContact CA-O 3.33Å; S1535-I1625 WeakPolarHBondContact CB-O 3.24Å; Q1536-I1625 PolarHBondContact N-O 2.82Å; Q1536-I1625 WeakPolarHBondContact O-CD1 3.26Å; Q1536-I1625 PolarHBondContact O-N 3.4Å; L1538-I1625 HydrophobicContact CD1-CD1 4.04Å; L1538-I1625 HydrophobicContact CG-CD1 4.07Å; L1566-I1625 HydrophobicContact CD1-CD1 3.97Å; L1566-I1625 HydrophobicContact CD1-CG1 3.84Å; L1574-I1625 HydrophobicContact CD1-CG2 4.42Å; T1603-I1625 HydrophobicContact CG2-CG2 4.05Å; S1604-I1625 CarbonylContact O-C 3.41Å; S1604-I1625 WeakPolarHBondContact O-CA 3.48Å; I1605-I1625 HydrophobicContact CD1-CG1 4.35Å; I1605-I1625 HydrophobicContact CG1-CB 4.5Å; I1605-I1625 HydrophobicContact CG1-CG1 4.03Å; I1605-I1625 HydrophobicContact CG1-CG2 4.17Å; L1623-I1625 HydrophobicContact CB-CD1 4.49Å; I1625-L1633 HydrophobicContact CB-CD2 4.26Å; I1625-L1633 HydrophobicContact CG2-CD2 3.95Å; I1625-I1635 HydrophobicContact CD1-CG1 4.28Å; I1625-I1635 HydrophobicContact CG1-CG1 4.39Å |
| 1626 | E | 95.4 | Very high | 92 | Very high | 78 Ų | 78 | 40 Ų | 40 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 138.7 | 170.8 | -56.1 | 179.4 | 117.6 | 0 | 0 | 109.1 | K1591 T1603 S1604 I1606 L1624 | K1591-E1626 IonicContact NZ-OE2 3.79Å; K1591-E1626 PolarHBondContact NZ-OE2 3.28Å; T1603-E1626 CarbonylContact C-O 3.56Å; T1603-E1626 WeakPolarHBondContact CA-O 3.42Å; S1604-E1626 PolarHBondContact N-O 2.65Å; S1604-E1626 PolarHBondContact O-N 2.8Å; I1606-E1626 HydrophobicContact CD1-CG 4.23Å; I1606-E1626 WeakPolarHBondContact CD1-OE2 3.33Å; L1624-E1626 HydrophobicContact CG-CG 4.37Å |
| 1627 | T | 95.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 148.5 | 176.9 | -166.7 | 0 | 0 | 0 | 0 | 113.8 | Y1533 A1534 D1602 T1603 D1629 V1632 L1633 | Y1533-T1627 WeakPolarHBondContact CA-O 3.28Å; A1534-T1627 HydrophobicContact CB-CG2 3.85Å; A1534-T1627 PolarHBondContact N-O 2.78Å; A1534-T1627 PolarHBondContact O-N 3.39Å; D1602-T1627 CarbonylContact O-C 3.57Å; D1602-T1627 WeakPolarHBondContact O-CA 3.4Å; D1602-T1627 PolarHBondContact O-OG1 2.85Å; T1603-T1627 PolarHBondContact OG1-OG1 2.66Å; T1627-D1629 WeakPolarHBondContact CB-O 3.18Å; T1627-D1629 WeakPolarHBondContact CG2-O 3.13Å; T1627-D1629 PolarHBondContact OG1-N 3.12Å; T1627-D1629 VanDerWaalsContact OG1-N 3.15Å; T1627-D1629 PolarHBondContact OG1-O 3.33Å; T1627-V1632 HydrophobicContact CG2-CB 4.34Å; T1627-L1633 HydrophobicContact CG2-CB 4.42Å; T1627-L1633 HydrophobicContact CG2-CD1 3.75Å; T1627-L1633 HydrophobicContact CG2-CG 3.78Å |
| 1628 | R | 93.6 | Very high | 92.8 | Very high | 166 Ų | 166 | 29.7 Ų | 29.7 | 63% | 0.626 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -99.2 | -25.5 | 166.3 | -63 | -177.5 | 178.8 | -152.8 | -3.8 | 111.8 | Y1533 D1602 L1630 | Y1533-R1628 HydrophobicContact CD1-CG 3.95Å; Y1533-R1628 HydrophobicContact CE1-CG 3.78Å; D1602-R1628 PolarHBondContact O-N 3.02Å; R1628-L1630 PolarHBondContact O-N 3.38Å |
| 1629 | D | 92.8 | Very high | 93.3 | Very high | 44 Ų | 44 | 28.7 Ų | 28.7 | 24% | 0.235 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -81 | 106.6 | 164.8 | 176.3 | 5.4 | 0 | 0 | 0 | 108.2 | N1570 R1572 T1627 E1631 V1632 | N1570-D1629 PolarHBondContact ND2-OD2 2.88Å; R1572-D1629 IonicContact NH1-OD2 3.99Å; T1627-D1629 WeakPolarHBondContact CB-O 3.18Å; T1627-D1629 WeakPolarHBondContact CG2-O 3.13Å; T1627-D1629 PolarHBondContact OG1-N 3.12Å; T1627-D1629 VanDerWaalsContact OG1-N 3.15Å; T1627-D1629 PolarHBondContact OG1-O 3.33Å; D1629-E1631 VanDerWaalsContact C-N 3.28Å; D1629-E1631 PolarHBondContact O-N 3.02Å; D1629-E1631 PolarHBondContact OD1-N 3.43Å; D1629-E1631 VanDerWaalsContact OD1-N 3.07Å; D1629-V1632 HydrophobicContact CB-CG2 3.95Å; D1629-V1632 WeakPolarHBondContact O-CB 3.38Å; D1629-V1632 PolarHBondContact O-N 3.2Å; D1629-V1632 WeakPolarHBondContact OD2-CG2 3.35Å |
| 1630 | L | 92.8 | Very high | 93.1 | Very high | 21 Ų | 21 | 28.1 Ų | 28.1 | 11% | 0.11 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -12.2 | -173 | -55.3 | 176.9 | 0 | 0 | 0 | 112.8 | R1528 H1531 A1534 R1628 | R1528-L1630 HydrophobicContact CB-CB 3.99Å; R1528-L1630 VanDerWaalsContact CD-O 3.25Å; R1528-L1630 WeakPolarHBondContact CD-O 3.3Å; R1528-L1630 HydrophobicContact CG-CB 4.08Å; R1528-L1630 WeakPolarHBondContact CG-O 3.49Å; R1528-L1630 PolarHBondContact NE-O 2.87Å; R1528-L1630 WeakPolarHBondContact O-CD1 3.27Å; H1531-L1630 WeakPolarHBondContact O-CD1 3.39Å; A1534-L1630 HydrophobicContact CB-CD2 3.68Å; R1628-L1630 PolarHBondContact O-N 3.38Å |
| 1631 | E | 91 | Very high | 92.7 | Very high | 122 Ų | 122 | 30.3 Ų | 30.3 | 57% | 0.57 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -15.2 | 174.2 | -56.7 | -173.3 | 169.4 | 0 | 0 | 111.9 | H1569 N1570 D1629 | H1569-E1631 WeakPolarHBondContact CB-O 3.36Å; N1570-E1631 HydrophobicContact CB-CB 3.93Å; N1570-E1631 PolarHBondContact N-O 3.17Å; N1570-E1631 VanDerWaalsContact N-O 3.17Å; D1629-E1631 VanDerWaalsContact C-N 3.28Å; D1629-E1631 PolarHBondContact O-N 3.02Å; D1629-E1631 PolarHBondContact OD1-N 3.43Å; D1629-E1631 VanDerWaalsContact OD1-N 3.07Å |
| 1632 | V | 92.6 | Very high | 92 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -68.2 | -35.8 | 177.1 | 169 | 0 | 0 | 0 | 0 | 112.9 | A1568 H1569 L1574 T1603 T1627 D1629 | A1568-V1632 WeakPolarHBondContact CA-O 3.22Å; A1568-V1632 HydrophobicContact CB-CB 4.29Å; A1568-V1632 HydrophobicContact CB-CG1 3.82Å; A1568-V1632 VanDerWaalsContact CB-O 3.3Å; A1568-V1632 WeakPolarHBondContact CB-O 3.33Å; H1569-V1632 PolarHBondContact N-O 2.86Å; L1574-V1632 HydrophobicContact CD1-CG1 3.93Å; T1603-V1632 HydrophobicContact CG2-CG1 4.12Å; T1627-V1632 HydrophobicContact CG2-CB 4.34Å; D1629-V1632 HydrophobicContact CB-CG2 3.95Å; D1629-V1632 WeakPolarHBondContact O-CB 3.38Å; D1629-V1632 PolarHBondContact O-N 3.2Å; D1629-V1632 WeakPolarHBondContact OD2-CG2 3.35Å |
| 1633 | L | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -108.4 | 142.1 | -174.4 | -67.8 | -175.6 | 0 | 0 | 0 | 112.6 | R1528 A1534 Q1536 I1625 T1627 I1635 V1658 Y1660 | R1528-L1633 PolarHBondContact NE-O 3.23Å; R1528-L1633 PolarHBondContact NH2-O 2.78Å; A1534-L1633 HydrophobicContact CB-CB 4.32Å; A1534-L1633 HydrophobicContact CB-CD1 3.93Å; Q1536-L1633 HydrophobicContact CB-CD1 4.06Å; Q1536-L1633 HydrophobicContact CB-CD2 4.15Å; I1625-L1633 HydrophobicContact CB-CD2 4.26Å; I1625-L1633 HydrophobicContact CG2-CD2 3.95Å; T1627-L1633 HydrophobicContact CG2-CB 4.42Å; T1627-L1633 HydrophobicContact CG2-CD1 3.75Å; T1627-L1633 HydrophobicContact CG2-CG 3.78Å; L1633-I1635 HydrophobicContact CD2-CD1 3.74Å; L1633-I1635 HydrophobicContact CD2-CG1 3.8Å; L1633-V1658 HydrophobicContact CB-CG2 3.95Å; L1633-Y1660 PolarHBondContact O-OH 3.17Å | ||
| 1634 | P | 93.3 | Very high | 89.8 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | S | Bend | cis | -76.2 | 161.5 | 7.6 | 31.6 | -37.2 | 0 | 0 | 0 | 114.6 | Y1518 Q1536 H1569 V1658 | Y1518-P1634 HydrophobicContact CD2-CB 3.71Å; Y1518-P1634 HydrophobicContact CD2-CG 3.59Å; Y1518-P1634 HydrophobicContact CE2-CB 3.46Å; Y1518-P1634 VanDerWaalsContact CE2-CB 3.46Å; Y1518-P1634 HydrophobicContact CE2-CG 3.89Å; Y1518-P1634 HydrophobicContact CG-CG 4.36Å; Q1536-P1634 VanDerWaalsContact OE1-CA 3.27Å; H1569-P1634 VanDerWaalsContact CB-O 3.3Å; H1569-P1634 WeakPolarHBondContact CB-O 3.25Å; H1569-P1634 PolarHBondContact N-O 3.03Å; P1634-V1658 HydrophobicContact CB-CB 4.36Å; P1634-V1658 HydrophobicContact CB-CG2 4.44Å |
| 1635 | I | 93.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 135.6 | 165 | -59.4 | -56 | 0 | 0 | 0 | 109.1 | L1538 L1566 L1567 L1574 I1625 L1633 D1637 | L1538-I1635 HydrophobicContact CD1-CB 4.25Å; L1538-I1635 HydrophobicContact CD1-CG1 4.27Å; L1538-I1635 HydrophobicContact CD1-CG2 4.05Å; L1566-I1635 HydrophobicContact CB-CD1 4.06Å; L1566-I1635 HydrophobicContact CB-CG2 3.93Å; L1566-I1635 HydrophobicContact CD1-CD1 4.25Å; L1566-I1635 HydrophobicContact CD1-CG1 4.22Å; L1567-I1635 WeakPolarHBondContact O-CA 3.45Å; L1574-I1635 HydrophobicContact CD1-CD1 4.13Å; I1625-I1635 HydrophobicContact CD1-CG1 4.28Å; I1625-I1635 HydrophobicContact CG1-CG1 4.39Å; L1633-I1635 HydrophobicContact CD2-CD1 3.74Å; L1633-I1635 HydrophobicContact CD2-CG1 3.8Å; I1635-D1637 WeakPolarHBondContact CG2-O 3.38Å |
| 1636 | I | 91.8 | Very high | 86.1 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 9% | 0.092 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -16.9 | -170.9 | 59.2 | 164.3 | 0 | 0 | 0 | 114.9 | L1567 H1569 | L1567-I1636 HydrophobicContact CB-CG1 4.13Å; L1567-I1636 HydrophobicContact CD2-CD1 3.87Å; L1567-I1636 HydrophobicContact CD2-CG1 4.01Å; L1567-I1636 HydrophobicContact CG-CD1 3.99Å; L1567-I1636 HydrophobicContact CG-CG1 3.86Å; L1567-I1636 WeakPolarHBondContact O-CG1 3.44Å; L1567-I1636 PolarHBondContact O-N 2.82Å; H1569-I1636 HydrophobicContact CB-CG2 4.16Å |
| 1637 | D | 92 | Very high | 84.6 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 6% | 0.064 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 163.5 | 173.7 | -158.4 | -28.3 | 0 | 0 | 0 | 109 | W1500 Q1501 S1502 L1567 I1635 | W1500-D1637 HydrophobicContact CE3-CB 4.01Å; W1500-D1637 HydrophobicContact CZ3-CB 4.34Å; Q1501-D1637 WeakPolarHBondContact CA-OD1 3.26Å; Q1501-D1637 WeakPolarHBondContact CB-OD1 3.36Å; Q1501-D1637 PolarHBondContact N-OD1 3.35Å; S1502-D1637 WeakPolarHBondContact CB-OD2 3.47Å; S1502-D1637 PolarHBondContact N-OD1 3.04Å; S1502-D1637 PolarHBondContact N-OD2 3.48Å; S1502-D1637 PolarHBondContact OG-OD2 2.65Å; L1567-D1637 HydrophobicContact CB-CB 3.84Å; L1567-D1637 HydrophobicContact CD2-CB 3.98Å; L1567-D1637 PolarHBondContact N-O 2.8Å; I1635-D1637 WeakPolarHBondContact CG2-O 3.38Å |
| 1638 | F | 92.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 151 | 172.4 | 62.9 | -99.6 | 0 | 0 | 0 | 112.9 | Y1490 W1500 Q1501 L1515 F1540 A1565 L1566 V1640 L1651 V1653 | Y1490-F1638 HydrophobicContact CD2-CZ 4.33Å; Y1490-F1638 AromaticContact CE2-CZ 3.93Å; Y1490-F1638 HydrophobicContact CE2-CZ 3.93Å; W1500-F1638 WeakPolarHBondContact CA-O 3.49Å; Q1501-F1638 HydrophobicContact CB-CD1 4.03Å; Q1501-F1638 HydrophobicContact CB-CD2 4.02Å; Q1501-F1638 HydrophobicContact CB-CE1 3.83Å; Q1501-F1638 HydrophobicContact CB-CE2 3.8Å; Q1501-F1638 HydrophobicContact CB-CG 4.13Å; Q1501-F1638 HydrophobicContact CB-CZ 3.72Å; Q1501-F1638 HydrophobicContact CG-CD1 4.27Å; Q1501-F1638 HydrophobicContact CG-CE1 3.64Å; Q1501-F1638 HydrophobicContact CG-CE2 4.18Å; Q1501-F1638 HydrophobicContact CG-CZ 3.59Å; Q1501-F1638 PolarHBondContact N-O 2.63Å; L1515-F1638 HydrophobicContact CD2-CD1 4.25Å; F1540-F1638 HydrophobicContact CD1-CE2 4.37Å; F1540-F1638 HydrophobicContact CD1-CZ 4.47Å; F1540-F1638 AromaticContact CE1-CD1 3.95Å; F1540-F1638 HydrophobicContact CE1-CD1 3.95Å; F1540-F1638 AromaticContact CE1-CD2 3.71Å; F1540-F1638 HydrophobicContact CE1-CD2 3.71Å; F1540-F1638 AromaticContact CE1-CE1 3.94Å; F1540-F1638 HydrophobicContact CE1-CE1 3.94Å; F1540-F1638 AromaticContact CE1-CE2 3.71Å; F1540-F1638 HydrophobicContact CE1-CE2 3.71Å; F1540-F1638 AromaticContact CE1-CG 3.83Å; F1540-F1638 HydrophobicContact CE1-CG 3.83Å; F1540-F1638 AromaticContact CE1-CZ 3.81Å; F1540-F1638 HydrophobicContact CE1-CZ 3.81Å; F1540-F1638 HydrophobicContact CZ-CB 4.47Å; F1540-F1638 HydrophobicContact CZ-CD1 4.27Å; F1540-F1638 HydrophobicContact CZ-CD2 4.37Å; F1540-F1638 HydrophobicContact CZ-CG 4.13Å; A1565-F1638 CarbonylContact O-C 3.58Å; A1565-F1638 VanDerWaalsContact O-CA 3.32Å; A1565-F1638 WeakPolarHBondContact O-CA 3.15Å; L1566-F1638 HydrophobicContact CD2-CB 3.72Å; F1638-V1640 HydrophobicContact CD2-CG2 3.78Å; F1638-V1640 HydrophobicContact CE2-CG2 3.68Å; F1638-L1651 HydrophobicContact CE2-CD2 3.85Å; F1638-L1651 HydrophobicContact CZ-CD2 4.49Å; F1638-V1653 HydrophobicContact CE1-CB 4.19Å; F1638-V1653 HydrophobicContact CE1-CG1 4.09Å; F1638-V1653 HydrophobicContact CE1-CG2 4.04Å; F1638-V1653 HydrophobicContact CZ-CB 4.14Å; F1638-V1653 HydrophobicContact CZ-CG1 4.24Å; F1638-V1653 HydrophobicContact CZ-CG2 4.35Å |
| 1639 | K | 90.3 | Very high | 82.3 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 20% | 0.204 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 105.2 | -169.5 | -164 | -170.6 | -178.9 | -130.8 | 0 | 113.5 | E1499 W1500 T1564 A1565 | E1499-K1639 HydrophobicContact CB-CD 4.36Å; E1499-K1639 HydrophobicContact CB-CG 3.67Å; E1499-K1639 CarbonylContact O-C 3.54Å; E1499-K1639 VanDerWaalsContact O-CA 3.28Å; E1499-K1639 WeakPolarHBondContact O-CA 3.45Å; E1499-K1639 WeakPolarHBondContact OE2-CE 3.41Å; E1499-K1639 IonicContact OE2-NZ 2.76Å; E1499-K1639 PolarHBondContact OE2-NZ 2.84Å; W1500-K1639 HydrophobicContact CD2-CB 3.9Å; W1500-K1639 HydrophobicContact CD2-CD 4.49Å; W1500-K1639 HydrophobicContact CD2-CG 4.03Å; W1500-K1639 HydrophobicContact CE3-CB 3.73Å; W1500-K1639 HydrophobicContact CE3-CG 4.38Å; W1500-K1639 HydrophobicContact CG-CG 4.41Å; W1500-K1639 HydrophobicContact CH2-CB 3.94Å; W1500-K1639 HydrophobicContact CZ2-CB 4.09Å; W1500-K1639 HydrophobicContact CZ2-CD 3.97Å; W1500-K1639 HydrophobicContact CZ2-CG 4.29Å; W1500-K1639 HydrophobicContact CZ3-CB 3.75Å; T1564-K1639 WeakPolarHBondContact CA-O 3.39Å; T1564-K1639 PolarHBondContact OG1-O 3.46Å; T1564-K1639 VanDerWaalsContact OG1-O 3.12Å; A1565-K1639 HydrophobicContact CB-CB 4.11Å; A1565-K1639 PolarHBondContact N-O 2.86Å; A1565-K1639 PolarHBondContact O-N 3.31Å |
| 1640 | V | 87.8 | Confident | 81.8 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | trans | -89.4 | 112.6 | -178.4 | -170.4 | 0 | 0 | 0 | 0 | 111.2 | E1499 L1504 F1638 F1643 L1651 | E1499-V1640 WeakPolarHBondContact CB-O 3.39Å; E1499-V1640 PolarHBondContact O-N 3.16Å; L1504-V1640 HydrophobicContact CD1-CG2 4.14Å; F1638-V1640 HydrophobicContact CD2-CG2 3.78Å; F1638-V1640 HydrophobicContact CE2-CG2 3.68Å; V1640-F1643 HydrophobicContact CB-CD2 4.11Å; V1640-F1643 HydrophobicContact CB-CE2 3.59Å; V1640-F1643 HydrophobicContact CB-CZ 4.34Å; V1640-F1643 HydrophobicContact CG1-CD2 3.76Å; V1640-F1643 HydrophobicContact CG1-CE2 3.51Å; V1640-F1643 HydrophobicContact CG1-CZ 4.06Å; V1640-F1643 HydrophobicContact CG2-CE2 4.13Å; V1640-F1643 HydrophobicContact CG2-CZ 4.49Å; V1640-L1651 HydrophobicContact CB-CD2 4.47Å; V1640-L1651 HydrophobicContact CG1-CD2 4.21Å; V1640-L1651 HydrophobicContact CG2-CD2 3.42Å; V1640-L1651 VanDerWaalsContact CG2-CD2 3.42Å | ||
| 1641 | R | 85.2 | Confident | 81.5 | Confident | 63 Ų | 63 | 42.6 Ų | 42.6 | 24% | 0.238 | 21% | 0.214 | C | C | . | . | trans | -90.5 | -10.2 | -173.3 | -55 | -173.9 | -173.8 | -165.4 | -3 | 115.7 | N1561 A1563 D1575 T1577 | N1561-R1641 PolarHBondContact O-NH1 3.05Å; A1563-R1641 VanDerWaalsContact O-CD 3.28Å; A1563-R1641 WeakPolarHBondContact O-CD 3Å; A1563-R1641 PolarHBondContact O-NE 3.45Å; D1575-R1641 IonicContact OD1-CZ 3.62Å; D1575-R1641 IonicContact OD1-NH2 3.98Å; D1575-R1641 PolarHBondContact OD1-NH2 3.26Å; D1575-R1641 IonicContact OD2-CZ 3.29Å; D1575-R1641 IonicContact OD2-NH1 3.39Å; D1575-R1641 IonicContact OD2-NH2 2.63Å; D1575-R1641 PolarHBondContact OD2-NH2 3.15Å; T1577-R1641 PolarHBondContact OG1-NH1 3.14Å | ||
| 1642 | N | 78.4 | Confident | 81.3 | Confident | 39 Ų | 39 | 37.6 Ų | 37.6 | 21% | 0.209 | 19% | 0.192 | C | C | . | . | trans | -143 | 62.8 | -172.9 | -169.6 | 44.8 | 0 | 0 | 0 | 114.5 | T1545 E1546 K1562 | T1545-N1642 PolarHBondContact OG1-O 2.8Å; T1545-N1642 VanDerWaalsContact OG1-O 3.1Å; E1546-N1642 HydrophobicContact CB-CB 4.44Å; E1546-N1642 VanDerWaalsContact CD-ND2 3.31Å; E1546-N1642 PolarHBondContact OE2-ND2 3.01Å; K1562-N1642 HydrophobicContact CD-CB 3.96Å; K1562-N1642 PolarHBondContact NZ-ND2 3.3Å | ||
| 1643 | F | 74.9 | Confident | 81 | Confident | 18 Ų | 18 | 37.6 Ų | 37.6 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | trans | -69.2 | 152.6 | 153.5 | -74.4 | -81.9 | 0 | 0 | 0 | 110.8 | K1492 L1504 V1640 C1649 L1651 | K1492-F1643 HydrophobicContact CB-CB 3.7Å; K1492-F1643 HydrophobicContact CB-CD1 3.87Å; K1492-F1643 HydrophobicContact CB-CD2 3.49Å; K1492-F1643 VanDerWaalsContact CB-CD2 3.49Å; K1492-F1643 HydrophobicContact CB-CE1 4.35Å; K1492-F1643 HydrophobicContact CB-CE2 3.98Å; K1492-F1643 HydrophobicContact CB-CG 3.42Å; K1492-F1643 VanDerWaalsContact CB-CG 3.42Å; K1492-F1643 HydrophobicContact CB-CZ 4.4Å; K1492-F1643 HydrophobicContact CD-CB 4.1Å; K1492-F1643 HydrophobicContact CD-CD2 3.78Å; K1492-F1643 HydrophobicContact CD-CG 4.22Å; K1492-F1643 HydrophobicContact CG-CB 4.42Å; K1492-F1643 HydrophobicContact CG-CD2 4.26Å; K1492-F1643 HydrophobicContact CG-CG 4.43Å; L1504-F1643 HydrophobicContact CD1-CE2 3.71Å; L1504-F1643 HydrophobicContact CD1-CZ 3.79Å; L1504-F1643 HydrophobicContact CD2-CD2 4.46Å; L1504-F1643 HydrophobicContact CD2-CE2 3.66Å; L1504-F1643 HydrophobicContact CD2-CZ 4.18Å; L1504-F1643 HydrophobicContact CG-CE2 4.37Å; V1640-F1643 HydrophobicContact CB-CD2 4.11Å; V1640-F1643 HydrophobicContact CB-CE2 3.59Å; V1640-F1643 HydrophobicContact CB-CZ 4.34Å; V1640-F1643 HydrophobicContact CG1-CD2 3.76Å; V1640-F1643 HydrophobicContact CG1-CE2 3.51Å; V1640-F1643 HydrophobicContact CG1-CZ 4.06Å; V1640-F1643 HydrophobicContact CG2-CE2 4.13Å; V1640-F1643 HydrophobicContact CG2-CZ 4.49Å; F1643-C1649 HydrophobicContact CD1-CB 4.04Å; F1643-L1651 HydrophobicContact CE1-CB 4.35Å; F1643-L1651 HydrophobicContact CZ-CB 4.37Å | ||
| 1644 | D | 67 | Low | 80.7 | Confident | 35 Ų | 35 | 39.9 Ų | 39.9 | 19% | 0.187 | 20% | 0.204 | C | C | . | . | trans | -69.8 | 156.7 | 173.5 | 71.2 | -33.9 | 0 | 0 | 0 | 112.8 | Q1646 G1647 T1648 C1649 | D1644-Q1646 PolarHBondContact O-N 2.93Å; D1644-Q1646 WeakPolarHBondContact OD2-CA 3.48Å; D1644-Q1646 VanDerWaalsContact OD2-CB 3.29Å; D1644-Q1646 WeakPolarHBondContact OD2-CB 2.92Å; D1644-Q1646 PolarHBondContact OD2-N 3.06Å; D1644-G1647 WeakPolarHBondContact OD1-CA 2.93Å; D1644-G1647 PolarHBondContact OD1-N 2.92Å; D1644-G1647 PolarHBondContact OD2-N 3.35Å; D1644-T1648 PolarHBondContact OD1-N 3.09Å; D1644-T1648 WeakPolarHBondContact OD2-CB 3.41Å; D1644-T1648 PolarHBondContact OD2-N 3.36Å; D1644-T1648 PolarHBondContact OD2-OG1 3.28Å; D1644-C1649 HydrophobicContact CB-CB 4.31Å; D1644-C1649 WeakPolarHBondContact CB-SG 3.4Å; D1644-C1649 VanDerWaalsContact CG-SG 3.51Å; D1644-C1649 WeakPolarHBondContact OD1-CB 3.1Å; D1644-C1649 PolarHBondContact OD1-N 2.79Å; D1644-C1649 PolarHBondContact OD1-SG 3.09Å | ||
| 1645 | K | 55.5 | Low | 80.4 | Confident | 219 Ų | 219 | 40.2 Ų | 40.2 | 95% | 0.952 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 1.1 | 174.4 | -62.2 | -172.7 | 178.7 | -175 | 0 | 113.7 | ||
| 1646 | Q | 59.6 | Low | 80.2 | Confident | 167 Ų | 167 | 41 Ų | 41 | 78% | 0.78 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -6 | -177.6 | -53 | 177.3 | -4.7 | 0 | 0 | 112.3 | D1644 T1648 | D1644-Q1646 PolarHBondContact O-N 2.93Å; D1644-Q1646 WeakPolarHBondContact OD2-CA 3.48Å; D1644-Q1646 VanDerWaalsContact OD2-CB 3.29Å; D1644-Q1646 WeakPolarHBondContact OD2-CB 2.92Å; D1644-Q1646 PolarHBondContact OD2-N 3.06Å; Q1646-T1648 HydrophobicContact CB-CG2 4.04Å; Q1646-T1648 PolarHBondContact O-N 3.37Å |
| 1647 | G | 62.4 | Low | 80.2 | Confident | 32 Ų | 32 | 41 Ų | 41 | 33% | 0.33 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 68.6 | 20.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1644 | D1644-G1647 WeakPolarHBondContact OD1-CA 2.93Å; D1644-G1647 PolarHBondContact OD1-N 2.92Å; D1644-G1647 PolarHBondContact OD2-N 3.35Å |
| 1648 | T | 67 | Low | 80.2 | Confident | 86 Ų | 86 | 40.4 Ų | 40.4 | 53% | 0.528 | 21% | 0.214 | S | C | . | . | trans | -94.1 | -13.7 | 179 | 69.8 | 0 | 0 | 0 | 0 | 112.7 | D1644 Q1646 | D1644-T1648 PolarHBondContact OD1-N 3.09Å; D1644-T1648 WeakPolarHBondContact OD2-CB 3.41Å; D1644-T1648 PolarHBondContact OD2-N 3.36Å; D1644-T1648 PolarHBondContact OD2-OG1 3.28Å; Q1646-T1648 HydrophobicContact CB-CG2 4.04Å; Q1646-T1648 PolarHBondContact O-N 3.37Å | ||
| 1649 | C | 75.1 | Confident | 80.4 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.034 | 22% | 0.22 | C | C | . | . | trans | -75.3 | 132.5 | 172.9 | -75.4 | 0 | 0 | 0 | 0 | 111.5 | L1491 D1543 G1544 F1643 D1644 | L1491-C1649 VanDerWaalsContact CD2-O 3.28Å; L1491-C1649 WeakPolarHBondContact CD2-O 3.31Å; D1543-C1649 WeakPolarHBondContact O-CA 3.37Å; D1543-C1649 WeakPolarHBondContact O-CB 2.97Å; D1543-C1649 PolarHBondContact O-SG 2.66Å; D1543-C1649 VanDerWaalsContact O-SG 3.41Å; G1544-C1649 PolarHBondContact O-SG 3.49Å; F1643-C1649 HydrophobicContact CD1-CB 4.04Å; D1644-C1649 HydrophobicContact CB-CB 4.31Å; D1644-C1649 WeakPolarHBondContact CB-SG 3.4Å; D1644-C1649 VanDerWaalsContact CG-SG 3.51Å; D1644-C1649 WeakPolarHBondContact OD1-CB 3.1Å; D1644-C1649 PolarHBondContact OD1-N 2.79Å; D1644-C1649 PolarHBondContact OD1-SG 3.09Å | ||
| 1650 | S | 81.1 | Confident | 80.6 | Confident | 26 Ų | 26 | 39 Ų | 39 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 150.4 | 168.8 | 67.8 | 0 | 0 | 0 | 0 | 110.7 | Y1490 D1543 | Y1490-S1650 WeakPolarHBondContact O-CA 3.16Å; D1543-S1650 WeakPolarHBondContact CB-OG 3.24Å; D1543-S1650 PolarHBondContact N-O 2.7Å; D1543-S1650 PolarHBondContact O-N 2.71Å |
| 1651 | L | 87 | Confident | 80.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124.1 | 175.8 | 177.7 | 61 | 0 | 0 | 0 | 108.5 | T1489 Y1490 F1540 L1541 C1542 T1545 I1547 F1638 V1640 F1643 | T1489-L1651 CarbonylContact C-O 3.6Å; T1489-L1651 WeakPolarHBondContact CA-O 3.39Å; Y1490-L1651 VanDerWaalsContact CD2-O 3.31Å; Y1490-L1651 WeakPolarHBondContact CD2-O 3.46Å; Y1490-L1651 PolarHBondContact N-O 3.39Å; Y1490-L1651 PolarHBondContact O-N 2.73Å; Y1490-L1651 VanDerWaalsContact O-N 3.11Å; F1540-L1651 HydrophobicContact CB-CD1 4.05Å; F1540-L1651 HydrophobicContact CD1-CD1 4.19Å; F1540-L1651 HydrophobicContact CD1-CD2 4.32Å; L1541-L1651 WeakPolarHBondContact O-CD1 3.31Å; C1542-L1651 HydrophobicContact CB-CD1 4.5Å; T1545-L1651 HydrophobicContact CG2-CB 4.2Å; T1545-L1651 HydrophobicContact CG2-CD1 4.14Å; I1547-L1651 HydrophobicContact CD1-CD1 3.64Å; I1547-L1651 HydrophobicContact CD1-CD2 3.88Å; I1547-L1651 HydrophobicContact CD1-CG 4.43Å; I1547-L1651 HydrophobicContact CG1-CD1 4.3Å; F1638-L1651 HydrophobicContact CE2-CD2 3.85Å; F1638-L1651 HydrophobicContact CZ-CD2 4.49Å; V1640-L1651 HydrophobicContact CB-CD2 4.47Å; V1640-L1651 HydrophobicContact CG1-CD2 4.21Å; V1640-L1651 HydrophobicContact CG2-CD2 3.42Å; V1640-L1651 VanDerWaalsContact CG2-CD2 3.42Å; F1643-L1651 HydrophobicContact CE1-CB 4.35Å; F1643-L1651 HydrophobicContact CZ-CB 4.37Å |
| 1652 | S | 86.5 | Confident | 81 | Confident | 17 Ų | 17 | 42.4 Ų | 42.4 | 12% | 0.119 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 145.2 | 167 | -43.4 | 0 | 0 | 0 | 0 | 109.9 | V1488 T1489 F1540 L1541 | V1488-S1652 VanDerWaalsContact O-CA 3.31Å; V1488-S1652 WeakPolarHBondContact O-CA 3.48Å; T1489-S1652 PolarHBondContact OG1-OG 3.35Å; F1540-S1652 CarbonylContact C-O 3.59Å; L1541-S1652 PolarHBondContact N-O 3.06Å; L1541-S1652 PolarHBondContact O-N 2.83Å |
| 1653 | V | 87.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 134.9 | 175.4 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | V1488 Y1490 L1513 F1540 F1638 V1655 | V1488-V1653 PolarHBondContact O-N 3.22Å; Y1490-V1653 HydrophobicContact CE2-CB 4.43Å; Y1490-V1653 HydrophobicContact CE2-CG1 3.82Å; L1513-V1653 HydrophobicContact CD2-CG1 4.18Å; F1540-V1653 HydrophobicContact CD1-CB 4.39Å; F1540-V1653 HydrophobicContact CD1-CG2 3.93Å; F1540-V1653 HydrophobicContact CE1-CG2 3.79Å; F1540-V1653 HydrophobicContact CZ-CG2 4.34Å; F1638-V1653 HydrophobicContact CE1-CB 4.19Å; F1638-V1653 HydrophobicContact CE1-CG1 4.09Å; F1638-V1653 HydrophobicContact CE1-CG2 4.04Å; F1638-V1653 HydrophobicContact CZ-CB 4.14Å; F1638-V1653 HydrophobicContact CZ-CG1 4.24Å; F1638-V1653 HydrophobicContact CZ-CG2 4.35Å; V1653-V1655 HydrophobicContact CG1-CG2 4.07Å; V1653-V1655 HydrophobicContact CG2-CG2 4Å |
| 1654 | N | 86.6 | Confident | 81.5 | Confident | 48 Ų | 48 | 43.8 Ų | 43.8 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 116.1 | 167.9 | 177.4 | 30 | 0 | 0 | 0 | 107.1 | L1487 E1539 L1541 | L1487-N1654 HydrophobicContact CD2-CB 4.48Å; E1539-N1654 HydrophobicContact CB-CB 4.15Å; E1539-N1654 PolarHBondContact N-O 3.03Å; E1539-N1654 PolarHBondContact O-N 3.18Å; E1539-N1654 PolarHBondContact OE2-ND2 2.93Å; L1541-N1654 HydrophobicContact CD1-CB 4.37Å |
| 1655 | V | 88 | Confident | 82.3 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.5 | -173 | 179.5 | 0 | 0 | 0 | 0 | 109 | L1513 L1515 Y1518 L1538 V1653 | L1513-V1655 HydrophobicContact CD2-CG2 3.89Å; L1515-V1655 HydrophobicContact CD2-CG2 4.47Å; Y1518-V1655 WeakPolarHBondContact OH-CG1 3.18Å; L1538-V1655 HydrophobicContact CD2-CB 4.31Å; L1538-V1655 HydrophobicContact CD2-CG1 3.94Å; L1538-V1655 HydrophobicContact CD2-CG2 4.1Å; V1653-V1655 HydrophobicContact CG1-CG2 4.07Å; V1653-V1655 HydrophobicContact CG2-CG2 4Å |
| 1656 | G | 88 | Confident | 83.9 | Confident | 18 Ų | 18 | 34.1 Ų | 34.1 | 19% | 0.186 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 167.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1518 E1537 | Y1518-G1656 PolarHBondContact OH-O 3.26Å; E1537-G1656 WeakPolarHBondContact O-CA 3.41Å; E1537-G1656 PolarHBondContact O-N 2.81Å |
| 1657 | A | 91.3 | Very high | 85.4 | Confident | 17 Ų | 17 | 25.8 Ų | 25.8 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 149.4 | 168 | 0 | 0 | 0 | 0 | 0 | 111.6 | C1477 V1478 | C1477-A1657 HydrophobicContact CB-CB 4.01Å; V1478-A1657 CarbonylContact O-C 3.14Å; V1478-A1657 VanDerWaalsContact O-CA 3.24Å; V1478-A1657 WeakPolarHBondContact O-CA 3.49Å; V1478-A1657 WeakPolarHBondContact O-CB 3Å |
| 1658 | V | 93.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 118.5 | 163.7 | 64.2 | 0 | 0 | 0 | 0 | 108.5 | C1477 V1478 Y1518 L1633 P1634 Y1660 | C1477-V1658 WeakPolarHBondContact CA-O 3.19Å; V1478-V1658 HydrophobicContact CB-CG1 4.21Å; V1478-V1658 PolarHBondContact N-O 3.34Å; V1478-V1658 PolarHBondContact O-N 2.75Å; Y1518-V1658 HydrophobicContact CD1-CB 4.36Å; Y1518-V1658 HydrophobicContact CD1-CG1 3.55Å; Y1518-V1658 HydrophobicContact CE1-CB 4.15Å; Y1518-V1658 HydrophobicContact CE1-CG1 3.83Å; Y1518-V1658 HydrophobicContact CG-CG1 4Å; L1633-V1658 HydrophobicContact CB-CG2 3.95Å; P1634-V1658 HydrophobicContact CB-CB 4.36Å; P1634-V1658 HydrophobicContact CB-CG2 4.44Å; V1658-Y1660 HydrophobicContact CB-CE2 4.46Å; V1658-Y1660 HydrophobicContact CG1-CE2 3.87Å; V1658-Y1660 HydrophobicContact CG2-CE1 4.45Å; V1658-Y1660 HydrophobicContact CG2-CE2 3.88Å |
| 1659 | C | 95 | Very high | 88.3 | Confident | 17 Ų | 17 | 21 Ų | 21 | 12% | 0.115 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.1 | -172 | -65.6 | 0 | 0 | 0 | 0 | 110.7 | E1475 C1477 A1534 S1535 | E1475-C1659 HydrophobicContact CG-CB 3.89Å; C1477-C1659 HydrophobicContact CB-CB 4.14Å; C1477-C1659 WeakPolarHBondContact CB-SG 3.44Å; C1477-C1659 WeakPolarHBondContact SG-CB 2.92Å; C1477-C1659 CovalentContact SG-SG 2.04Å; C1477-C1659 PolarHBondContact SG-SG 2.81Å; A1534-C1659 CarbonylContact C-O 3.59Å; A1534-C1659 VanDerWaalsContact CA-O 3.22Å; A1534-C1659 WeakPolarHBondContact CA-O 3.38Å; S1535-C1659 PolarHBondContact N-O 3.2Å; S1535-C1659 PolarHBondContact O-N 3.3Å |
| 1660 | Y | 95.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.2 | 178.6 | -63.4 | -81.9 | 0 | 0 | 0 | 110.5 | E1475 T1476 V1524 L1527 R1528 H1531 A1534 L1633 V1658 | E1475-Y1660 CarbonylContact C-O 3.58Å; E1475-Y1660 WeakPolarHBondContact CA-O 3.19Å; T1476-Y1660 PolarHBondContact N-O 2.92Å; T1476-Y1660 PolarHBondContact O-N 2.88Å; V1524-Y1660 WeakPolarHBondContact CG1-OH 3.4Å; L1527-Y1660 HydrophobicContact CB-CD2 3.87Å; L1527-Y1660 HydrophobicContact CB-CE2 4.03Å; L1527-Y1660 HydrophobicContact CB-CG 4.2Å; L1527-Y1660 HydrophobicContact CD1-CD2 3.89Å; L1527-Y1660 HydrophobicContact CD1-CE2 3.99Å; L1527-Y1660 HydrophobicContact CG-CD2 4.41Å; R1528-Y1660 HydrophobicContact CG-CE1 3.86Å; H1531-Y1660 PolarHBondContact CD2-O 3.19Å; H1531-Y1660 VanDerWaalsContact CD2-O 3.25Å; A1534-Y1660 HydrophobicContact CB-CD1 3.73Å; A1534-Y1660 HydrophobicContact CB-CE1 3.82Å; L1633-Y1660 PolarHBondContact O-OH 3.17Å; V1658-Y1660 HydrophobicContact CB-CE2 4.46Å; V1658-Y1660 HydrophobicContact CG1-CE2 3.87Å; V1658-Y1660 HydrophobicContact CG2-CE1 4.45Å; V1658-Y1660 HydrophobicContact CG2-CE2 3.88Å |
| 1661 | R | 93.6 | Very high | 90.1 | Very high | 99 Ų | 99 | 21.9 Ų | 21.9 | 37% | 0.374 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 138.6 | -177.6 | -162.8 | -177.3 | 70.5 | -160.8 | -3.4 | 112.5 | V1474 E1475 R1532 Y1533 | V1474-R1661 WeakPolarHBondContact O-CA 3.45Å; V1474-R1661 WeakPolarHBondContact O-CG 3.4Å; E1475-R1661 HydrophobicContact CB-CG 4.37Å; R1532-R1661 PolarHBondContact N-O 3.37Å; Y1533-R1661 PolarHBondContact N-O 3.32Å; Y1533-R1661 PolarHBondContact O-N 3.07Å |
| 1662 | T | 88.2 | Confident | 90.3 | Very high | 38 Ų | 38 | 23.9 Ų | 23.9 | 23% | 0.233 | 13% | 0.134 | C | C | . | . | trans | -72.2 | 0 | -179.4 | 60.5 | 0 | 0 | 0 | 0 | 113.5 | K1435 V1474 R1532 | K1435-T1662 HydrophobicContact CB-CG2 4.38Å; K1435-T1662 HydrophobicContact CD-CG2 3.85Å; K1435-T1662 HydrophobicContact CG-CG2 4.24Å; V1474-T1662 HydrophobicContact CB-CG2 4.48Å; V1474-T1662 PolarHBondContact N-OG1 3.03Å; V1474-T1662 PolarHBondContact O-N 3.23Å; V1474-T1662 PolarHBondContact O-OG1 2.95Å; R1532-T1662 WeakPolarHBondContact CD-OXT 3.46Å |
Retrieved 1,662 of 1,662 residues in 510.1 ms
(Link to these results)