| 1 | M | 59.2 | Low | 84.5 | Confident | 203 Ų | 203 | 115.9 Ų | 115.9 | 100% | 1 | 62% | 0.617 | S | S | * | * | | | | 0 | 112.5 | 0 | -74.6 | 178.6 | 178.2 | 0 | 0 | 107.6 | | |
| 2 | E | 79.4 | Confident | 85 | Confident | 138 Ų | 138 | 111.8 Ų | 111.8 | 65% | 0.645 | 61% | 0.611 | S | S | * | * | | | trans | -56.5 | 145.1 | 177.8 | -77.6 | -177.4 | 94 | 0 | 0 | 111.3 | S4 V5 | E2-S4 PolarHBondContact O-N 3.12Å; E2-S4 VanDerWaalsContact O-N 3.12Å; E2-V5 HydrophobicContact CB-CG2 4.31Å; E2-V5 PolarHBondContact O-N 2.77Å |
| 3 | P | 83 | Confident | 85.4 | Confident | 104 Ų | 104 | 107.8 Ų | 107.8 | 68% | 0.675 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -54.6 | -30.7 | 177.4 | 21.3 | -31.8 | 0 | 0 | 0 | 112.5 | V5 K6 L7 | P3-V5 VanDerWaalsContact C-N 3.32Å; P3-V5 PolarHBondContact O-N 3.02Å; P3-K6 PolarHBondContact O-N 2.97Å; P3-L7 PolarHBondContact O-N 2.97Å; P3-L7 VanDerWaalsContact O-N 3.1Å |
| 4 | S | 86.2 | Confident | 85.9 | Confident | 76 Ų | 76 | 102.5 Ų | 102.5 | 53% | 0.531 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -57.9 | -39.8 | 174.8 | -38.9 | 0 | 0 | 0 | 0 | 113 | E2 L7 A8 | E2-S4 PolarHBondContact O-N 3.12Å; E2-S4 VanDerWaalsContact O-N 3.12Å; S4-L7 PolarHBondContact O-N 2.66Å; S4-A8 PolarHBondContact O-N 2.91Å; S4-A8 VanDerWaalsContact O-N 3.08Å |
| 5 | V | 87.1 | Confident | 86.4 | Confident | 83 Ų | 83 | 104 Ų | 104 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.6 | -36.6 | -178.8 | -178.6 | 0 | 0 | 0 | 0 | 111 | E2 P3 S9 | E2-V5 HydrophobicContact CB-CG2 4.31Å; E2-V5 PolarHBondContact O-N 2.77Å; P3-V5 VanDerWaalsContact C-N 3.32Å; P3-V5 PolarHBondContact O-N 3.02Å; V5-S9 PolarHBondContact O-N 2.72Å; V5-S9 VanDerWaalsContact O-N 3.11Å |
| 6 | K | 86.4 | Confident | 86.8 | Confident | 126 Ų | 126 | 99.7 Ų | 99.7 | 55% | 0.548 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.2 | -47.8 | 175.3 | -68.2 | -174.7 | 178.6 | -178.6 | 0 | 110.3 | P3 A8 S9 W10 | P3-K6 PolarHBondContact O-N 2.97Å; K6-A8 VanDerWaalsContact C-N 3.32Å; K6-A8 PolarHBondContact O-N 2.72Å; K6-S9 WeakPolarHBondContact O-CB 3.3Å; K6-S9 PolarHBondContact O-N 2.81Å; K6-S9 VanDerWaalsContact O-N 3.11Å; K6-W10 PolarHBondContact O-N 2.79Å |
| 7 | L | 88.6 | Confident | 87.1 | Confident | 110 Ų | 110 | 99.3 Ų | 99.3 | 58% | 0.576 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.2 | -44 | 178.6 | -175.4 | 64.4 | 0 | 0 | 0 | 111.9 | P3 S4 S9 W10 L11 | P3-L7 PolarHBondContact O-N 2.97Å; P3-L7 VanDerWaalsContact O-N 3.1Å; S4-L7 PolarHBondContact O-N 2.66Å; L7-S9 VanDerWaalsContact C-N 3.32Å; L7-S9 PolarHBondContact O-N 2.93Å; L7-W10 PolarHBondContact O-N 3.31Å; L7-L11 HydrophobicContact CG-CD1 4.27Å; L7-L11 WeakPolarHBondContact O-CG 3.07Å; L7-L11 PolarHBondContact O-N 3.21Å |
| 8 | A | 88.7 | Confident | 87.5 | Confident | 58 Ų | 58 | 101.6 Ų | 101.6 | 48% | 0.479 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.3 | -39.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S4 K6 L11 A12 | S4-A8 PolarHBondContact O-N 2.91Å; S4-A8 VanDerWaalsContact O-N 3.08Å; K6-A8 VanDerWaalsContact C-N 3.32Å; K6-A8 PolarHBondContact O-N 2.72Å; A8-L11 PolarHBondContact O-N 3Å; A8-A12 WeakPolarHBondContact O-CB 3.15Å; A8-A12 PolarHBondContact O-N 3.26Å |
| 9 | S | 88.6 | Confident | 87.8 | Confident | 78 Ų | 78 | 98.9 Ų | 98.9 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.1 | -39.6 | 176.9 | -179.3 | 0 | 0 | 0 | 0 | 112.9 | V5 K6 L7 A12 S13 | V5-S9 PolarHBondContact O-N 2.72Å; V5-S9 VanDerWaalsContact O-N 3.11Å; K6-S9 WeakPolarHBondContact O-CB 3.3Å; K6-S9 PolarHBondContact O-N 2.81Å; K6-S9 VanDerWaalsContact O-N 3.11Å; L7-S9 VanDerWaalsContact C-N 3.32Å; L7-S9 PolarHBondContact O-N 2.93Å; S9-A12 PolarHBondContact O-N 2.75Å; S9-S13 WeakPolarHBondContact O-CB 3.1Å; S9-S13 PolarHBondContact O-N 2.94Å; S9-S13 PolarHBondContact O-OG 3.41Å |
| 10 | W | 90.4 | Very high | 88.2 | Confident | 192 Ų | 192 | 99.9 Ų | 99.9 | 73% | 0.727 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.1 | -40.9 | 174.4 | -80.7 | 97.3 | 0 | 0 | 0 | 112.1 | K6 L7 S13 G14 | K6-W10 PolarHBondContact O-N 2.79Å; L7-W10 PolarHBondContact O-N 3.31Å; W10-S13 WeakPolarHBondContact CA-OG 3.38Å; W10-S13 PolarHBondContact O-OG 2.99Å; W10-G14 PolarHBondContact O-N 2.99Å |
| 11 | L | 92.2 | Very high | 88.5 | Confident | 107 Ų | 107 | 99.9 Ų | 99.9 | 56% | 0.56 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.1 | -41.6 | 176 | -68.4 | 174.3 | 0 | 0 | 0 | 112 | L7 A8 G14 L15 | L7-L11 HydrophobicContact CG-CD1 4.27Å; L7-L11 WeakPolarHBondContact O-CG 3.07Å; L7-L11 PolarHBondContact O-N 3.21Å; A8-L11 PolarHBondContact O-N 3Å; L11-G14 PolarHBondContact O-N 2.06Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CG 3.26Å; L11-L15 PolarHBondContact O-N 2.78Å |
| 12 | A | 90.7 | Very high | 90.2 | Very high | 66 Ų | 66 | 92 Ų | 92 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A8 S9 G16 | A8-A12 WeakPolarHBondContact O-CB 3.15Å; A8-A12 PolarHBondContact O-N 3.26Å; S9-A12 PolarHBondContact O-N 2.75Å; A12-G16 PolarHBondContact O-N 2.84Å |
| 13 | S | 90.3 | Very high | 90.9 | Very high | 60 Ų | 60 | 89 Ų | 89 | 42% | 0.42 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 175.3 | 51.1 | 0 | 0 | 0 | 0 | 112.2 | S9 W10 G16 T17 | S9-S13 WeakPolarHBondContact O-CB 3.1Å; S9-S13 PolarHBondContact O-N 2.94Å; S9-S13 PolarHBondContact O-OG 3.41Å; W10-S13 WeakPolarHBondContact CA-OG 3.38Å; W10-S13 PolarHBondContact O-OG 2.99Å; S13-G16 PolarHBondContact O-N 3.36Å; S13-T17 WeakPolarHBondContact O-CG2 3.47Å; S13-T17 PolarHBondContact O-N 3.32Å; S13-T17 PolarHBondContact O-OG1 3.13Å; S13-T17 VanDerWaalsContact O-OG1 3.11Å |
| 14 | G | 92 | Very high | 91.4 | Very high | 34 Ų | 34 | 90.4 Ų | 90.4 | 35% | 0.351 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | W10 L11 G16 T17 F18 | W10-G14 PolarHBondContact O-N 2.99Å; L11-G14 PolarHBondContact O-N 2.06Å; G14-G16 PolarHBondContact O-N 2.63Å; G14-T17 PolarHBondContact O-N 3.32Å; G14-T17 PolarHBondContact O-OG1 3.46Å; G14-F18 WeakPolarHBondContact O-CB 2.98Å; G14-F18 PolarHBondContact O-N 2.92Å |
| 15 | L | 92.9 | Very high | 91.7 | Very high | 125 Ų | 125 | 91.2 Ų | 91.2 | 65% | 0.654 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.3 | -39.2 | 176.9 | -72.7 | 169.3 | 0 | 0 | 0 | 112.3 | L11 F18 A19 | L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CG 3.26Å; L11-L15 PolarHBondContact O-N 2.78Å; L15-F18 PolarHBondContact O-N 3.33Å; L15-A19 WeakPolarHBondContact O-CB 3.23Å; L15-A19 PolarHBondContact O-N 3.5Å |
| 16 | G | 92.5 | Very high | 92 | Very high | 35 Ų | 35 | 92 Ų | 92 | 36% | 0.361 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A12 S13 G14 A19 L20 | A12-G16 PolarHBondContact O-N 2.84Å; S13-G16 PolarHBondContact O-N 3.36Å; G14-G16 PolarHBondContact O-N 2.63Å; G16-A19 PolarHBondContact O-N 3.29Å; G16-L20 WeakPolarHBondContact O-CG 3.36Å; G16-L20 PolarHBondContact O-N 3.07Å |
| 17 | T | 92.2 | Very high | 92.2 | Very high | 93 Ų | 93 | 90.4 Ų | 90.4 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.5 | -39.6 | 176.8 | 55 | 0 | 0 | 0 | 0 | 112.2 | S13 G14 L20 L21 | S13-T17 WeakPolarHBondContact O-CG2 3.47Å; S13-T17 PolarHBondContact O-N 3.32Å; S13-T17 PolarHBondContact O-OG1 3.13Å; S13-T17 VanDerWaalsContact O-OG1 3.11Å; G14-T17 PolarHBondContact O-N 3.32Å; G14-T17 PolarHBondContact O-OG1 3.46Å; T17-L20 PolarHBondContact O-N 3.07Å; T17-L21 WeakPolarHBondContact O-CB 3.3Å; T17-L21 PolarHBondContact O-N 2.71Å |
| 18 | F | 94.3 | Very high | 92.4 | Very high | 141 Ų | 141 | 88.6 Ų | 88.6 | 62% | 0.618 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.9 | -42.7 | 175.1 | -175.5 | -96.3 | 0 | 0 | 0 | 112.1 | G14 L15 L20 L21 A22 | G14-F18 WeakPolarHBondContact O-CB 2.98Å; G14-F18 PolarHBondContact O-N 2.92Å; L15-F18 PolarHBondContact O-N 3.33Å; F18-L20 PolarHBondContact O-N 3.24Å; F18-L21 PolarHBondContact O-N 3.11Å; F18-A22 WeakPolarHBondContact O-CB 3.36Å; F18-A22 PolarHBondContact O-N 3.35Å |
| 19 | A | 94.2 | Very high | 92.5 | Very high | 50 Ų | 50 | 90.5 Ų | 90.5 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L15 G16 A22 C23 | L15-A19 WeakPolarHBondContact O-CB 3.23Å; L15-A19 PolarHBondContact O-N 3.5Å; G16-A19 PolarHBondContact O-N 3.29Å; A19-A22 PolarHBondContact O-N 3.26Å; A19-C23 PolarHBondContact O-N 3.41Å; A19-C23 PolarHBondContact O-SG 3.21Å; A19-C23 VanDerWaalsContact O-SG 3.36Å |
| 20 | L | 94.5 | Very high | 92.6 | Very high | 119 Ų | 119 | 91.5 Ų | 91.5 | 62% | 0.623 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.6 | -42.5 | 176.1 | -70.7 | 174.7 | 0 | 0 | 0 | 112.2 | G16 T17 F18 A22 C23 L24 | G16-L20 WeakPolarHBondContact O-CG 3.36Å; G16-L20 PolarHBondContact O-N 3.07Å; T17-L20 PolarHBondContact O-N 3.07Å; F18-L20 PolarHBondContact O-N 3.24Å; L20-A22 VanDerWaalsContact C-N 3.35Å; L20-C23 PolarHBondContact O-N 3.02Å; L20-L24 WeakPolarHBondContact O-CG 3.28Å; L20-L24 PolarHBondContact O-N 2.89Å |
| 21 | L | 95.1 | Very high | 92.6 | Very high | 100 Ų | 100 | 89.4 Ų | 89.4 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.5 | -168.6 | 84 | 0 | 0 | 0 | 111.1 | T17 F18 C23 L24 I25 | T17-L21 WeakPolarHBondContact O-CB 3.3Å; T17-L21 PolarHBondContact O-N 2.71Å; F18-L21 PolarHBondContact O-N 3.11Å; L21-C23 PolarHBondContact O-N 3.46Å; L21-L24 PolarHBondContact O-N 3.43Å; L21-I25 HydrophobicContact CD2-CD1 4.42Å; L21-I25 HydrophobicContact CG-CD1 4.13Å; L21-I25 WeakPolarHBondContact O-CG1 3.18Å; L21-I25 PolarHBondContact O-N 3.42Å |
| 22 | A | 94.4 | Very high | 92.4 | Very high | 37 Ų | 37 | 90.8 Ų | 90.8 | 31% | 0.306 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | F18 A19 L20 I25 M26 | F18-A22 WeakPolarHBondContact O-CB 3.36Å; F18-A22 PolarHBondContact O-N 3.35Å; A19-A22 PolarHBondContact O-N 3.26Å; L20-A22 VanDerWaalsContact C-N 3.35Å; A22-I25 PolarHBondContact O-N 3.13Å; A22-M26 VanDerWaalsContact O-CB 3.29Å; A22-M26 WeakPolarHBondContact O-CB 3.01Å; A22-M26 WeakPolarHBondContact O-CG 3.47Å; A22-M26 PolarHBondContact O-N 3.49Å |
| 23 | C | 94.2 | Very high | 92.3 | Very high | 76 Ų | 76 | 93.1 Ų | 93.1 | 51% | 0.514 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 173.4 | -74.9 | 0 | 0 | 0 | 0 | 112.1 | A19 L20 L21 I25 M26 T27 | A19-C23 PolarHBondContact O-N 3.41Å; A19-C23 PolarHBondContact O-SG 3.21Å; A19-C23 VanDerWaalsContact O-SG 3.36Å; L20-C23 PolarHBondContact O-N 3.02Å; L21-C23 PolarHBondContact O-N 3.46Å; C23-I25 PolarHBondContact O-N 3.48Å; C23-M26 PolarHBondContact O-N 3.25Å; C23-T27 WeakPolarHBondContact O-CB 3.25Å; C23-T27 PolarHBondContact O-N 3.42Å; C23-T27 PolarHBondContact O-OG1 3.49Å |
| 24 | L | 93.5 | Very high | 92.2 | Very high | 132 Ų | 132 | 94.2 Ų | 94.2 | 69% | 0.691 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.9 | -27.3 | 179.5 | -71.9 | 175.3 | 0 | 0 | 0 | 113.5 | L20 L21 P28 | L20-L24 WeakPolarHBondContact O-CG 3.28Å; L20-L24 PolarHBondContact O-N 2.89Å; L21-L24 PolarHBondContact O-N 3.43Å; L24-P28 WeakPolarHBondContact O-CD 3.27Å; L24-P28 VanDerWaalsContact O-CG 3.27Å; L24-P28 WeakPolarHBondContact O-CG 3Å |
| 25 | I | 93.2 | Very high | 91.7 | Very high | 94 Ų | 94 | 96 Ų | 96 | 48% | 0.482 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -85.5 | -42.2 | 175.6 | -64.3 | 167.4 | 0 | 0 | 0 | 111 | L21 A22 C23 P28 L29 | L21-I25 HydrophobicContact CD2-CD1 4.42Å; L21-I25 HydrophobicContact CG-CD1 4.13Å; L21-I25 WeakPolarHBondContact O-CG1 3.18Å; L21-I25 PolarHBondContact O-N 3.42Å; A22-I25 PolarHBondContact O-N 3.13Å; C23-I25 PolarHBondContact O-N 3.48Å; I25-P28 VanDerWaalsContact O-CD 3.31Å; I25-P28 WeakPolarHBondContact O-CD 3.33Å; I25-P28 WeakPolarHBondContact O-CG 3.31Å; I25-L29 HydrophobicContact CG2-CD1 4.05Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å |
| 26 | M | 92.6 | Very high | 91.5 | Very high | 99 Ų | 99 | 94.1 Ų | 94.1 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73.8 | -34.8 | -175.9 | -68.5 | -59 | -66 | 0 | 0 | 112.8 | A22 C23 L29 I30 | A22-M26 VanDerWaalsContact O-CB 3.29Å; A22-M26 WeakPolarHBondContact O-CB 3.01Å; A22-M26 WeakPolarHBondContact O-CG 3.47Å; A22-M26 PolarHBondContact O-N 3.49Å; C23-M26 PolarHBondContact O-N 3.25Å; M26-L29 PolarHBondContact O-N 3.47Å; M26-L29 HydrophobicContact SD-CD1 4.23Å; M26-I30 HydrophobicContact CB-CD1 4.44Å; M26-I30 WeakPolarHBondContact O-CB 3.46Å; M26-I30 VanDerWaalsContact O-CG1 3.25Å; M26-I30 WeakPolarHBondContact O-CG1 3.35Å; M26-I30 PolarHBondContact O-N 3.38Å |
| 27 | T | 91.9 | Very high | 91.1 | Very high | 93 Ų | 93 | 96.6 Ų | 96.6 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.1 | -51.1 | 178.5 | -61 | 0 | 0 | 0 | 0 | 113.4 | C23 L29 I30 Y31 | C23-T27 WeakPolarHBondContact O-CB 3.25Å; C23-T27 PolarHBondContact O-N 3.42Å; C23-T27 PolarHBondContact O-OG1 3.49Å; T27-L29 VanDerWaalsContact C-N 3.34Å; T27-L29 PolarHBondContact O-N 3.31Å; T27-I30 PolarHBondContact O-N 3.49Å; T27-Y31 VanDerWaalsContact O-CB 3.3Å; T27-Y31 WeakPolarHBondContact O-CB 3.43Å; T27-Y31 PolarHBondContact O-N 3.43Å |
| 28 | P | 91.7 | Very high | 90.7 | Very high | 72 Ų | 72 | 98.2 Ų | 98.2 | 47% | 0.468 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.9 | -31.3 | 177.5 | 25.3 | -33.7 | 0 | 0 | 0 | 113 | L24 I25 Y31 F32 | L24-P28 WeakPolarHBondContact O-CD 3.27Å; L24-P28 VanDerWaalsContact O-CG 3.27Å; L24-P28 WeakPolarHBondContact O-CG 3Å; I25-P28 VanDerWaalsContact O-CD 3.31Å; I25-P28 WeakPolarHBondContact O-CD 3.33Å; I25-P28 WeakPolarHBondContact O-CG 3.31Å; P28-Y31 PolarHBondContact O-N 3.47Å; P28-F32 WeakPolarHBondContact O-CB 3.36Å; P28-F32 PolarHBondContact O-N 3.31Å |
| 29 | L | 91.1 | Very high | 90 | Very high | 98 Ų | 98 | 97 Ų | 97 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 174.7 | -70.5 | 174.1 | 0 | 0 | 0 | 111.6 | I25 M26 T27 Y31 F32 E33 | I25-L29 HydrophobicContact CG2-CD1 4.05Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å; M26-L29 PolarHBondContact O-N 3.47Å; M26-L29 HydrophobicContact SD-CD1 4.23Å; T27-L29 VanDerWaalsContact C-N 3.34Å; T27-L29 PolarHBondContact O-N 3.31Å; L29-Y31 VanDerWaalsContact C-N 3.32Å; L29-Y31 PolarHBondContact O-N 3.4Å; L29-F32 PolarHBondContact O-N 3.23Å; L29-E33 PolarHBondContact O-N 3.26Å; L29-E33 VanDerWaalsContact O-N 3.09Å |
| 30 | I | 90 | Very high | 89.5 | Confident | 98 Ų | 98 | 100.3 Ų | 100.3 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 175.4 | -65.1 | 164.2 | 0 | 0 | 0 | 110.1 | M26 T27 F32 E33 V34 | M26-I30 HydrophobicContact CB-CD1 4.44Å; M26-I30 WeakPolarHBondContact O-CB 3.46Å; M26-I30 VanDerWaalsContact O-CG1 3.25Å; M26-I30 WeakPolarHBondContact O-CG1 3.35Å; M26-I30 PolarHBondContact O-N 3.38Å; T27-I30 PolarHBondContact O-N 3.49Å; I30-F32 VanDerWaalsContact C-N 3.34Å; I30-F32 PolarHBondContact O-N 3.41Å; I30-E33 PolarHBondContact O-N 3.18Å; I30-V34 HydrophobicContact CG2-CG2 4.29Å; I30-V34 WeakPolarHBondContact O-CB 3.48Å; I30-V34 VanDerWaalsContact O-CG2 3.26Å; I30-V34 WeakPolarHBondContact O-CG2 3.39Å; I30-V34 PolarHBondContact O-N 3.4Å |
| 31 | Y | 90.2 | Very high | 88.7 | Confident | 149 Ų | 149 | 99 Ų | 99 | 58% | 0.584 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.1 | -43.6 | 176.8 | -175.8 | -96.2 | 0 | 0 | 0 | 111.6 | T27 P28 L29 V34 Q35 | T27-Y31 VanDerWaalsContact O-CB 3.3Å; T27-Y31 WeakPolarHBondContact O-CB 3.43Å; T27-Y31 PolarHBondContact O-N 3.43Å; P28-Y31 PolarHBondContact O-N 3.47Å; L29-Y31 VanDerWaalsContact C-N 3.32Å; L29-Y31 PolarHBondContact O-N 3.4Å; Y31-V34 PolarHBondContact O-N 3.38Å; Y31-Q35 HydrophobicContact CD1-CG 3.92Å; Y31-Q35 HydrophobicContact CE1-CG 3.57Å; Y31-Q35 HydrophobicContact CE2-CG 4.35Å; Y31-Q35 HydrophobicContact CG-CG 4.45Å; Y31-Q35 WeakPolarHBondContact O-CB 3.12Å; Y31-Q35 VanDerWaalsContact O-CG 3.26Å; Y31-Q35 WeakPolarHBondContact O-CG 3.41Å; Y31-Q35 PolarHBondContact O-N 3.29Å; Y31-Q35 PolarHBondContact OH-NE2 3.25Å |
| 32 | F | 88.9 | Confident | 87.7 | Confident | 136 Ų | 136 | 96.8 Ų | 96.8 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -45.7 | 177.7 | -174.7 | -95.9 | 0 | 0 | 0 | 112 | P28 L29 I30 Q35 N36 | P28-F32 WeakPolarHBondContact O-CB 3.36Å; P28-F32 PolarHBondContact O-N 3.31Å; L29-F32 PolarHBondContact O-N 3.23Å; I30-F32 VanDerWaalsContact C-N 3.34Å; I30-F32 PolarHBondContact O-N 3.41Å; F32-Q35 PolarHBondContact O-N 3.02Å; F32-N36 WeakPolarHBondContact O-CB 3.36Å; F32-N36 PolarHBondContact O-N 3.39Å |
| 33 | E | 89.3 | Confident | 86.9 | Confident | 115 Ų | 115 | 98.4 Ų | 98.4 | 54% | 0.537 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 175.4 | -71.2 | -64.3 | 161.2 | 0 | 0 | 112.1 | L29 I30 Q35 N36 V37 | L29-E33 PolarHBondContact O-N 3.26Å; L29-E33 VanDerWaalsContact O-N 3.09Å; I30-E33 PolarHBondContact O-N 3.18Å; E33-Q35 VanDerWaalsContact C-N 3.34Å; E33-Q35 PolarHBondContact O-N 3.26Å; E33-N36 PolarHBondContact O-N 2.93Å; E33-V37 WeakPolarHBondContact O-CG2 3.43Å; E33-V37 PolarHBondContact O-N 3.46Å |
| 34 | V | 87.9 | Confident | 85.8 | Confident | 83 Ų | 83 | 99.2 Ų | 99.2 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | I30 Y31 R38 | I30-V34 HydrophobicContact CG2-CG2 4.29Å; I30-V34 WeakPolarHBondContact O-CB 3.48Å; I30-V34 VanDerWaalsContact O-CG2 3.26Å; I30-V34 WeakPolarHBondContact O-CG2 3.39Å; I30-V34 PolarHBondContact O-N 3.4Å; Y31-V34 PolarHBondContact O-N 3.38Å; V34-R38 VanDerWaalsContact O-CB 3.32Å; V34-R38 WeakPolarHBondContact O-CB 3.48Å; V34-R38 PolarHBondContact O-N 2.76Å |
| 35 | Q | 82.1 | Confident | 84.4 | Confident | 71 Ų | 71 | 95.2 Ų | 95.2 | 33% | 0.332 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 175.8 | -70.6 | -61.4 | -33.8 | 0 | 0 | 111.8 | Y31 F32 E33 R38 L39 | Y31-Q35 HydrophobicContact CD1-CG 3.92Å; Y31-Q35 HydrophobicContact CE1-CG 3.57Å; Y31-Q35 HydrophobicContact CE2-CG 4.35Å; Y31-Q35 HydrophobicContact CG-CG 4.45Å; Y31-Q35 WeakPolarHBondContact O-CB 3.12Å; Y31-Q35 VanDerWaalsContact O-CG 3.26Å; Y31-Q35 WeakPolarHBondContact O-CG 3.41Å; Y31-Q35 PolarHBondContact O-N 3.29Å; Y31-Q35 PolarHBondContact OH-NE2 3.25Å; F32-Q35 PolarHBondContact O-N 3.02Å; E33-Q35 VanDerWaalsContact C-N 3.34Å; E33-Q35 PolarHBondContact O-N 3.26Å; Q35-R38 PolarHBondContact O-N 3.07Å; Q35-L39 WeakPolarHBondContact O-CB 3.41Å; Q35-L39 PolarHBondContact O-N 2.82Å |
| 36 | N | 87.2 | Confident | 82.9 | Confident | 85 Ų | 85 | 94.7 Ų | 94.7 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 177.1 | -160.3 | 38.9 | 0 | 0 | 0 | 111.3 | F32 E33 L39 E40 | F32-N36 WeakPolarHBondContact O-CB 3.36Å; F32-N36 PolarHBondContact O-N 3.39Å; E33-N36 PolarHBondContact O-N 2.93Å; N36-L39 PolarHBondContact O-N 3.35Å; N36-E40 PolarHBondContact O-N 3.32Å |
| 37 | V | 85.1 | Confident | 81.4 | Confident | 88 Ų | 88 | 96.3 Ų | 96.3 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 172.7 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | E33 L39 E40 L41 | E33-V37 WeakPolarHBondContact O-CG2 3.43Å; E33-V37 PolarHBondContact O-N 3.46Å; V37-L39 VanDerWaalsContact C-N 3.35Å; V37-E40 PolarHBondContact O-N 2.86Å; V37-L41 WeakPolarHBondContact O-CB 3.36Å; V37-L41 PolarHBondContact O-N 3.41Å |
| 38 | R | 83.2 | Confident | 79.7 | Confident | 126 Ų | 126 | 98.5 Ų | 98.5 | 48% | 0.475 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 176.9 | -177.8 | 170.4 | -175 | 154.8 | 3.4 | 111.6 | V34 Q35 L41 D42 | V34-R38 VanDerWaalsContact O-CB 3.32Å; V34-R38 WeakPolarHBondContact O-CB 3.48Å; V34-R38 PolarHBondContact O-N 2.76Å; Q35-R38 PolarHBondContact O-N 3.07Å; R38-L41 PolarHBondContact O-N 3.34Å; R38-D42 IonicContact NE-OD2 3.91Å; R38-D42 WeakPolarHBondContact O-CB 3.45Å; R38-D42 PolarHBondContact O-N 3.42Å |
| 39 | L | 80.8 | Confident | 77.9 | Confident | 116 Ų | 116 | 101.3 Ų | 101.3 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.9 | -44.7 | 177.4 | -156.3 | 96.3 | 0 | 0 | 0 | 111 | Q35 N36 V37 L41 D42 T43 | Q35-L39 WeakPolarHBondContact O-CB 3.41Å; Q35-L39 PolarHBondContact O-N 2.82Å; N36-L39 PolarHBondContact O-N 3.35Å; V37-L39 VanDerWaalsContact C-N 3.35Å; L39-L41 VanDerWaalsContact C-N 3.34Å; L39-L41 PolarHBondContact O-N 2.82Å; L39-D42 PolarHBondContact O-N 3.01Å; L39-T43 WeakPolarHBondContact O-CG2 3.28Å; L39-T43 PolarHBondContact O-N 2.66Å; L39-T43 PolarHBondContact O-OG1 3.38Å |
| 40 | E | 82 | Confident | 76.2 | Confident | 119 Ų | 119 | 102.2 Ų | 102.2 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.1 | -43.3 | 176.2 | -166.3 | 73.8 | -171 | 0 | 0 | 111.3 | N36 V37 T43 E44 | N36-E40 PolarHBondContact O-N 3.32Å; V37-E40 PolarHBondContact O-N 2.86Å; E40-T43 WeakPolarHBondContact CA-OG1 3.31Å; E40-T43 PolarHBondContact O-N 2.79Å; E40-T43 PolarHBondContact O-OG1 2.84Å; E40-E44 WeakPolarHBondContact O-CG 3.22Å; E40-E44 PolarHBondContact O-N 3.44Å |
| 41 | L | 77.4 | Confident | 74.3 | Confident | 91 Ų | 91 | 103.1 Ų | 103.1 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 177.4 | -128.9 | 78.7 | 0 | 0 | 0 | 112.3 | V37 R38 L39 T43 E44 M45 | V37-L41 WeakPolarHBondContact O-CB 3.36Å; V37-L41 PolarHBondContact O-N 3.41Å; R38-L41 PolarHBondContact O-N 3.34Å; L39-L41 VanDerWaalsContact C-N 3.34Å; L39-L41 PolarHBondContact O-N 2.82Å; L41-T43 VanDerWaalsContact C-N 3.33Å; L41-E44 PolarHBondContact O-N 3.32Å; L41-M45 VanDerWaalsContact O-CB 3.28Å; L41-M45 WeakPolarHBondContact O-CB 3.41Å; L41-M45 VanDerWaalsContact O-CG 3.31Å; L41-M45 WeakPolarHBondContact O-CG 3.36Å; L41-M45 PolarHBondContact O-N 3.27Å |
| 42 | D | 75.5 | Confident | 72.2 | Confident | 54 Ų | 54 | 103 Ų | 103 | 29% | 0.289 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -36.7 | 177.6 | -78.3 | -30.3 | 0 | 0 | 0 | 110.5 | R38 L39 M45 D46 | R38-D42 IonicContact NE-OD2 3.91Å; R38-D42 WeakPolarHBondContact O-CB 3.45Å; R38-D42 PolarHBondContact O-N 3.42Å; L39-D42 PolarHBondContact O-N 3.01Å; D42-M45 PolarHBondContact O-N 3.06Å; D42-D46 WeakPolarHBondContact O-CB 3.46Å; D42-D46 PolarHBondContact O-N 3.44Å |
| 43 | T | 76.5 | Confident | 70.3 | Confident | 72 Ų | 72 | 101.4 Ų | 101.4 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 174.2 | 49.1 | 0 | 0 | 0 | 0 | 113 | L39 E40 L41 D46 E47 | L39-T43 WeakPolarHBondContact O-CG2 3.28Å; L39-T43 PolarHBondContact O-N 2.66Å; L39-T43 PolarHBondContact O-OG1 3.38Å; E40-T43 WeakPolarHBondContact CA-OG1 3.31Å; E40-T43 PolarHBondContact O-N 2.79Å; E40-T43 PolarHBondContact O-OG1 2.84Å; L41-T43 VanDerWaalsContact C-N 3.33Å; T43-D46 PolarHBondContact O-N 2.89Å; T43-E47 PolarHBondContact O-N 3.08Å |
| 44 | E | 71.1 | Confident | 68.1 | Low | 93 Ų | 93 | 104.4 Ų | 104.4 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 174.5 | -74.3 | -79.7 | 150.5 | 0 | 0 | 110.7 | E40 L41 D46 E47 F48 | E40-E44 WeakPolarHBondContact O-CG 3.22Å; E40-E44 PolarHBondContact O-N 3.44Å; L41-E44 PolarHBondContact O-N 3.32Å; E44-D46 PolarHBondContact O-N 2.99Å; E44-E47 WeakPolarHBondContact O-CB 3.42Å; E44-E47 PolarHBondContact O-N 3.49Å; E44-F48 WeakPolarHBondContact O-CD2 2.98Å; E44-F48 PolarHBondContact O-N 2.93Å |
| 45 | M | 64.6 | Low | 66.2 | Low | 47 Ų | 47 | 104.2 Ų | 104.2 | 23% | 0.232 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 176.6 | -82.2 | -125.8 | 64 | 0 | 0 | 113.4 | L41 D42 F48 K49 W66 | L41-M45 VanDerWaalsContact O-CB 3.28Å; L41-M45 WeakPolarHBondContact O-CB 3.41Å; L41-M45 VanDerWaalsContact O-CG 3.31Å; L41-M45 WeakPolarHBondContact O-CG 3.36Å; L41-M45 PolarHBondContact O-N 3.27Å; D42-M45 PolarHBondContact O-N 3.06Å; M45-F48 PolarHBondContact O-N 2.93Å; M45-K49 WeakPolarHBondContact O-CG 3.35Å; M45-K49 PolarHBondContact O-N 3.3Å; M45-W66 HydrophobicContact CE-CZ3 4.45Å; M45-W66 HydrophobicContact CG-CH2 4.02Å; M45-W66 HydrophobicContact CG-CZ3 4.18Å; M45-W66 HydrophobicContact SD-CD2 4.31Å; M45-W66 HydrophobicContact SD-CE3 3.55Å; M45-W66 VanDerWaalsContact SD-CE3 3.55Å; M45-W66 HydrophobicContact SD-CH2 3.22Å; M45-W66 WeakPolarHBondContact SD-CH2 3.32Å; M45-W66 HydrophobicContact SD-CZ2 4Å; M45-W66 HydrophobicContact SD-CZ3 2.98Å; M45-W66 WeakPolarHBondContact SD-CZ3 3.38Å |
| 46 | D | 62 | Low | 64.7 | Low | 84 Ų | 84 | 107.2 Ų | 107.2 | 45% | 0.449 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.3 | -31.4 | 174.7 | -78.2 | -12.6 | 0 | 0 | 0 | 111.5 | D42 T43 E44 K49 V50 | D42-D46 WeakPolarHBondContact O-CB 3.46Å; D42-D46 PolarHBondContact O-N 3.44Å; T43-D46 PolarHBondContact O-N 2.89Å; E44-D46 PolarHBondContact O-N 2.99Å; D46-K49 PolarHBondContact O-N 2.96Å; D46-K49 IonicContact OD1-NZ 2.82Å; D46-K49 PolarHBondContact OD1-NZ 3.4Å; D46-V50 WeakPolarHBondContact O-CB 3.26Å; D46-V50 WeakPolarHBondContact O-CG2 3.48Å; D46-V50 PolarHBondContact O-N 3.34Å; D46-V50 VanDerWaalsContact O-N 3.07Å |
| 47 | E | 60.7 | Low | 62.6 | Low | 133 Ų | 133 | 109.6 Ų | 109.6 | 62% | 0.621 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.3 | -41.4 | 165.4 | -80.9 | -158 | 145.2 | 0 | 0 | 111.9 | T43 E44 K49 V50 L51 | T43-E47 PolarHBondContact O-N 3.08Å; E44-E47 WeakPolarHBondContact O-CB 3.42Å; E44-E47 PolarHBondContact O-N 3.49Å; E47-K49 PolarHBondContact O-N 3.25Å; E47-V50 CarbonylContact O-C 3.59Å; E47-V50 PolarHBondContact O-N 3.4Å; E47-V50 VanDerWaalsContact O-N 3.11Å; E47-L51 PolarHBondContact O-N 2.9Å; E47-L51 VanDerWaalsContact O-N 3.1Å |
| 48 | F | 56.3 | Low | 60.8 | Low | 138 Ų | 138 | 111.2 Ų | 111.2 | 61% | 0.605 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.8 | -35.8 | 174.3 | -85.7 | -72.4 | 0 | 0 | 0 | 113.1 | E44 M45 V50 L51 | E44-F48 WeakPolarHBondContact O-CD2 2.98Å; E44-F48 PolarHBondContact O-N 2.93Å; M45-F48 PolarHBondContact O-N 2.93Å; F48-V50 PolarHBondContact O-N 3.48Å; F48-L51 HydrophobicContact CD1-CD1 4.39Å |
| 49 | K | 53.7 | Low | 59.1 | Low | 132 Ų | 132 | 112.5 Ų | 112.5 | 57% | 0.574 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.4 | -23 | 173.2 | -70.8 | 175.1 | -158.2 | 149.3 | 0 | 112.6 | M45 D46 E47 | M45-K49 WeakPolarHBondContact O-CG 3.35Å; M45-K49 PolarHBondContact O-N 3.3Å; D46-K49 PolarHBondContact O-N 2.96Å; D46-K49 IonicContact OD1-NZ 2.82Å; D46-K49 PolarHBondContact OD1-NZ 3.4Å; E47-K49 PolarHBondContact O-N 3.25Å |
| 50 | V | 55.1 | Low | 57.4 | Low | 116 Ų | 116 | 114.2 Ų | 114.2 | 70% | 0.703 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -94.9 | -6.6 | -177.7 | 176.2 | 0 | 0 | 0 | 0 | 112.4 | D46 E47 F48 H52 | D46-V50 WeakPolarHBondContact O-CB 3.26Å; D46-V50 WeakPolarHBondContact O-CG2 3.48Å; D46-V50 PolarHBondContact O-N 3.34Å; D46-V50 VanDerWaalsContact O-N 3.07Å; E47-V50 CarbonylContact O-C 3.59Å; E47-V50 PolarHBondContact O-N 3.4Å; E47-V50 VanDerWaalsContact O-N 3.11Å; F48-V50 PolarHBondContact O-N 3.48Å; V50-H52 PolarHBondContact O-N 3.06Å |
| 51 | L | 50.3 | Low | 55.9 | Low | 118 Ų | 118 | 111.8 Ų | 111.8 | 62% | 0.618 | 59% | 0.594 | S | S | * | * | | | trans | -72.7 | 55.1 | 163.5 | -86.9 | 162.3 | 0 | 0 | 0 | 112.2 | E47 F48 V53 | E47-L51 PolarHBondContact O-N 2.9Å; E47-L51 VanDerWaalsContact O-N 3.1Å; F48-L51 HydrophobicContact CD1-CD1 4.39Å; L51-V53 HydrophobicContact CD2-CG2 4Å; L51-V53 PolarHBondContact O-N 3.11Å; L51-V53 VanDerWaalsContact O-N 3.11Å |
| 52 | H | 46 | Very low | 54.9 | Low | 146 Ų | 146 | 112 Ų | 112 | 68% | 0.676 | 60% | 0.599 | S | S | * | * | | | trans | -84 | 69.4 | 165.7 | -137.5 | -82.6 | 0 | 0 | 0 | 108.8 | V50 | V50-H52 PolarHBondContact O-N 3.06Š|
| 53 | V | 49.1 | Very low | 54 | Low | 102 Ų | 102 | 115.6 Ų | 115.6 | 62% | 0.618 | 62% | 0.618 | S | S | * | * | | | trans | -89.9 | 110.3 | 172.1 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | L51 | L51-V53 HydrophobicContact CD2-CG2 4Å; L51-V53 PolarHBondContact O-N 3.11Å; L51-V53 VanDerWaalsContact O-N 3.11Å |
| 54 | Q | 44.4 | Very low | 53.1 | Low | 178 Ų | 178 | 120 Ų | 120 | 83% | 0.832 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 50.3 | 85.8 | 155.9 | -62.6 | 177.2 | -17.2 | 0 | 0 | 117.1 | | |
| 55 | G | 48 | Very low | 52.6 | Low | 80 Ų | 80 | 120.8 Ų | 120.8 | 83% | 0.825 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 90.3 | 12.7 | 139.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 56 | I | 49.6 | Very low | 52.3 | Low | 134 Ų | 134 | 121.6 Ų | 121.6 | 69% | 0.687 | 64% | 0.641 | S | S | * | * | | | trans | -131 | 107.3 | 170.4 | -52.7 | -180 | 0 | 0 | 0 | 109.4 | V58 | I56-V58 VanDerWaalsContact C-N 3.29Å; I56-V58 HydrophobicContact CG2-CG2 3.65Å; I56-V58 PolarHBondContact O-N 2.94Å |
| 57 | E | 43.4 | Very low | 52.2 | Low | 135 Ų | 135 | 124.2 Ų | 124.2 | 63% | 0.631 | 65% | 0.651 | S | S | * | * | | | trans | -67.3 | 87.8 | 164.6 | -80.2 | -160 | 127.1 | 0 | 0 | 109 | K59 | E57-K59 PolarHBondContact O-N 3.43Å; E57-K59 IonicContact OE1-NZ 2.76Å; E57-K59 PolarHBondContact OE1-NZ 3.36Å |
| 58 | V | 48.2 | Very low | 52.2 | Low | 121 Ų | 121 | 123.6 Ų | 123.6 | 73% | 0.733 | 65% | 0.648 | S | S | * | * | | | trans | -86.2 | 74.4 | 159.4 | -171.3 | 0 | 0 | 0 | 0 | 107.1 | I56 | I56-V58 VanDerWaalsContact C-N 3.29Å; I56-V58 HydrophobicContact CG2-CG2 3.65Å; I56-V58 PolarHBondContact O-N 2.94Å |
| 59 | K | 47.4 | Very low | 52.2 | Low | 154 Ų | 154 | 122.3 Ų | 122.3 | 67% | 0.67 | 65% | 0.645 | S | S | * | * | | | trans | -93.6 | 11 | 178.9 | -113.2 | 179.2 | -170 | 158.6 | 0 | 113.8 | E57 | E57-K59 PolarHBondContact O-N 3.43Å; E57-K59 IonicContact OE1-NZ 2.76Å; E57-K59 PolarHBondContact OE1-NZ 3.36Å |
| 60 | L | 45.1 | Very low | 52.3 | Low | 151 Ų | 151 | 119.4 Ų | 119.4 | 79% | 0.791 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -133.1 | 102.7 | -172.8 | -72.2 | 96.1 | 0 | 0 | 0 | 110.7 | | |
| 61 | A | 50.4 | Low | 52.4 | Low | 68 Ų | 68 | 117.3 Ų | 117.3 | 56% | 0.562 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 156.7 | -24 | 148.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L65 | A61-L65 WeakPolarHBondContact O-CB 3.29Å; A61-L65 PolarHBondContact O-N 3.02Å; A61-L65 VanDerWaalsContact O-N 3.16Å |
| 62 | T | 55.5 | Low | 52.1 | Low | 96 Ų | 96 | 120.3 Ų | 120.3 | 59% | 0.589 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.3 | -26.2 | -168.6 | 46 | 0 | 0 | 0 | 0 | 114.2 | W66 | T62-W66 WeakPolarHBondContact O-CB 3.25Å; T62-W66 PolarHBondContact O-N 3.46Å |
| 63 | N | 57.4 | Low | 52.3 | Low | 129 Ų | 129 | 119.8 Ų | 119.8 | 69% | 0.69 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.7 | -36.1 | 175.9 | -71.1 | -25.9 | 0 | 0 | 0 | 112.7 | E67 | N63-E67 WeakPolarHBondContact O-CB 3.45Å; N63-E67 VanDerWaalsContact O-CG 3.23Å; N63-E67 WeakPolarHBondContact O-CG 3.13Å; N63-E67 PolarHBondContact O-N 2.83Å |
| 64 | E | 57.7 | Low | 51.8 | Low | 164 Ų | 164 | 117 Ų | 117 | 77% | 0.766 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.3 | -43 | 174.8 | -70.4 | -171.7 | 157.6 | 0 | 0 | 111 | W66 E67 E68 | E64-W66 VanDerWaalsContact C-N 3.31Å; E64-W66 PolarHBondContact O-N 2.99Å; E64-E67 PolarHBondContact O-N 3.09Å; E64-E68 VanDerWaalsContact O-CB 3.25Å; E64-E68 WeakPolarHBondContact O-CB 3.36Å; E64-E68 PolarHBondContact O-N 3.1Å |
| 65 | L | 59 | Low | 51.6 | Low | 110 Ų | 110 | 114.9 Ų | 114.9 | 58% | 0.576 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.8 | -31.1 | 177.1 | -158.3 | 82.3 | 0 | 0 | 0 | 112.4 | A61 M69 | A61-L65 WeakPolarHBondContact O-CB 3.29Å; A61-L65 PolarHBondContact O-N 3.02Å; A61-L65 VanDerWaalsContact O-N 3.16Å; L65-M69 WeakPolarHBondContact O-CB 3.33Å; L65-M69 PolarHBondContact O-N 2.84Å |
| 66 | W | 58.6 | Low | 51.1 | Low | 65 Ų | 65 | 122.8 Ų | 122.8 | 25% | 0.246 | 64% | 0.639 | C | S | . | * | H | α-helix | trans | -74.7 | -41.8 | 176.4 | -172.5 | -102.8 | 0 | 0 | 0 | 111.9 | M45 T62 E64 E68 M69 M70 | M45-W66 HydrophobicContact CE-CZ3 4.45Å; M45-W66 HydrophobicContact CG-CH2 4.02Å; M45-W66 HydrophobicContact CG-CZ3 4.18Å; M45-W66 HydrophobicContact SD-CD2 4.31Å; M45-W66 HydrophobicContact SD-CE3 3.55Å; M45-W66 VanDerWaalsContact SD-CE3 3.55Å; M45-W66 HydrophobicContact SD-CH2 3.22Å; M45-W66 WeakPolarHBondContact SD-CH2 3.32Å; M45-W66 HydrophobicContact SD-CZ2 4Å; M45-W66 HydrophobicContact SD-CZ3 2.98Å; M45-W66 WeakPolarHBondContact SD-CZ3 3.38Å; T62-W66 WeakPolarHBondContact O-CB 3.25Å; T62-W66 PolarHBondContact O-N 3.46Å; E64-W66 VanDerWaalsContact C-N 3.31Å; E64-W66 PolarHBondContact O-N 2.99Å; W66-E68 VanDerWaalsContact C-N 3.29Å; W66-M69 HydrophobicContact CD2-CE 4.44Å; W66-M69 HydrophobicContact CE3-CE 3.36Å; W66-M69 HydrophobicContact CH2-CE 4.36Å; W66-M69 HydrophobicContact CZ3-CE 3.27Å; W66-M69 PolarHBondContact O-N 3.31Å; W66-M70 HydrophobicContact CD2-CE 4.36Å; W66-M70 HydrophobicContact CD2-CG 4.32Å; W66-M70 HydrophobicContact CG-CG 4.43Å; W66-M70 HydrophobicContact CH2-CE 3.55Å; W66-M70 HydrophobicContact CZ2-CE 3.15Å; W66-M70 HydrophobicContact CZ3-CE 4.27Å; W66-M70 WeakPolarHBondContact O-CB 3.39Å; W66-M70 VanDerWaalsContact O-CG 3.28Å; W66-M70 WeakPolarHBondContact O-CG 3.46Å; W66-M70 PolarHBondContact O-N 2.58Å |
| 67 | E | 61.1 | Low | 50.6 | Low | 139 Ų | 139 | 125.3 Ų | 125.3 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -62.3 | -38 | 169.5 | -73.8 | -74.7 | 147.7 | 0 | 0 | 110.6 | N63 E64 S71 | N63-E67 WeakPolarHBondContact O-CB 3.45Å; N63-E67 VanDerWaalsContact O-CG 3.23Å; N63-E67 WeakPolarHBondContact O-CG 3.13Å; N63-E67 PolarHBondContact O-N 2.83Å; E64-E67 PolarHBondContact O-N 3.09Å; E67-S71 WeakPolarHBondContact O-CA 3.48Å; E67-S71 WeakPolarHBondContact O-CB 3.42Å; E67-S71 PolarHBondContact O-N 2.77Å; E67-S71 PolarHBondContact O-OG 3.44Å |
| 68 | E | 59.6 | Low | 50.2 | Low | 120 Ų | 120 | 129.9 Ų | 129.9 | 56% | 0.561 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.9 | -41 | 175.3 | -156.4 | 176.7 | -165.6 | 0 | 0 | 112 | E64 W66 S71 F72 | E64-E68 VanDerWaalsContact O-CB 3.25Å; E64-E68 WeakPolarHBondContact O-CB 3.36Å; E64-E68 PolarHBondContact O-N 3.1Å; W66-E68 VanDerWaalsContact C-N 3.29Å; E68-S71 WeakPolarHBondContact CA-OG 3.19Å; E68-S71 PolarHBondContact O-OG 3.07Å; E68-S71 VanDerWaalsContact O-OG 3.08Å; E68-F72 WeakPolarHBondContact O-CD2 3.37Å; E68-F72 PolarHBondContact O-N 3.43Å |
| 69 | M | 55.8 | Low | 49.5 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 54% | 0.542 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -75 | -32.6 | 178.7 | -169.4 | 173.6 | 70.3 | 0 | 0 | 113 | L65 W66 F72 | L65-M69 WeakPolarHBondContact O-CB 3.33Å; L65-M69 PolarHBondContact O-N 2.84Å; W66-M69 HydrophobicContact CD2-CE 4.44Å; W66-M69 HydrophobicContact CE3-CE 3.36Å; W66-M69 HydrophobicContact CH2-CE 4.36Å; W66-M69 HydrophobicContact CZ3-CE 3.27Å; W66-M69 PolarHBondContact O-N 3.31Å; M69-F72 WeakPolarHBondContact O-CB 3.43Å |
| 70 | M | 56.2 | Low | 48.9 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 35% | 0.35 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -83.6 | -25.5 | 175 | -71.3 | -71.3 | -175.8 | 0 | 0 | 112.5 | W66 F72 T73 | W66-M70 HydrophobicContact CD2-CE 4.36Å; W66-M70 HydrophobicContact CD2-CG 4.32Å; W66-M70 HydrophobicContact CG-CG 4.43Å; W66-M70 HydrophobicContact CH2-CE 3.55Å; W66-M70 HydrophobicContact CZ2-CE 3.15Å; W66-M70 HydrophobicContact CZ3-CE 4.27Å; W66-M70 WeakPolarHBondContact O-CB 3.39Å; W66-M70 VanDerWaalsContact O-CG 3.28Å; W66-M70 WeakPolarHBondContact O-CG 3.46Å; W66-M70 PolarHBondContact O-N 2.58Å; M70-F72 PolarHBondContact O-N 3.1Å; M70-T73 PolarHBondContact O-OG1 3.47Å |
| 71 | S | 56.8 | Low | 48.5 | Very low | 73 Ų | 73 | 133.2 Ų | 133.2 | 51% | 0.51 | 67% | 0.669 | S | S | . | * | G | 310 helix | trans | -77.2 | -3 | 170.8 | 63.6 | 0 | 0 | 0 | 0 | 113.5 | E67 E68 T73 G74 | E67-S71 WeakPolarHBondContact O-CA 3.48Å; E67-S71 WeakPolarHBondContact O-CB 3.42Å; E67-S71 PolarHBondContact O-N 2.77Å; E67-S71 PolarHBondContact O-OG 3.44Å; E68-S71 WeakPolarHBondContact CA-OG 3.19Å; E68-S71 PolarHBondContact O-OG 3.07Å; E68-S71 VanDerWaalsContact O-OG 3.08Å; S71-T73 PolarHBondContact O-N 2.84Å; S71-G74 PolarHBondContact O-N 3.11Å |
| 72 | F | 44.3 | Very low | 47.7 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 79% | 0.789 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -67.7 | 6.6 | 171.1 | -114 | -85.7 | 0 | 0 | 0 | 114.7 | E68 M69 M70 | E68-F72 WeakPolarHBondContact O-CD2 3.37Å; E68-F72 PolarHBondContact O-N 3.43Å; M69-F72 WeakPolarHBondContact O-CB 3.43Å; M70-F72 PolarHBondContact O-N 3.1Å |
| 73 | T | 50.2 | Low | 46.6 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 83% | 0.834 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -92.3 | 6.4 | 162.1 | 59 | 0 | 0 | 0 | 0 | 113.8 | M70 S71 | M70-T73 PolarHBondContact O-OG1 3.47Å; S71-T73 PolarHBondContact O-N 2.84Å |
| 74 | G | 39.7 | Very low | 45.8 | Very low | 43 Ų | 43 | 141.6 Ų | 141.6 | 44% | 0.443 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -70 | 156.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S71 R76 | S71-G74 PolarHBondContact O-N 3.11Å; G74-R76 PolarHBondContact O-N 2.94Å |
| 75 | P | 39.1 | Very low | 44.9 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 87% | 0.87 | 70% | 0.699 | S | S | * | * | | | trans | -57.6 | 111.6 | -169.1 | 22.2 | -30.4 | 0 | 0 | 0 | 110.8 | E77 | P75-E77 PolarHBondContact O-N 3.14Š|
| 76 | R | 38.5 | Very low | 43.9 | Very low | 245 Ų | 245 | 139.3 Ų | 139.3 | 93% | 0.925 | 71% | 0.71 | S | S | * | * | | | trans | -45.3 | 98.6 | 174.5 | -133.5 | 176.2 | 179.9 | 156.4 | -0.3 | 109.5 | G74 R78 | G74-R76 PolarHBondContact O-N 2.94Å; R76-R78 VanDerWaalsContact C-N 3.29Å; R76-R78 PolarHBondContact O-N 2.73Å |
| 77 | E | 39.8 | Very low | 43.3 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | | | trans | -68.8 | 96.6 | 174.4 | -154.6 | 165.2 | -169.7 | 0 | 0 | 107.4 | P75 R79 | P75-E77 PolarHBondContact O-N 3.14Å; E77-R79 PolarHBondContact O-N 2.98Å |
| 78 | R | 33.6 | Very low | 42.4 | Very low | 231 Ų | 231 | 140.6 Ų | 140.6 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | | | trans | -58.1 | 98.9 | 177.1 | -175.1 | -164.4 | -59.9 | -142.4 | 2.4 | 108.7 | R76 | R76-R78 VanDerWaalsContact C-N 3.29Å; R76-R78 PolarHBondContact O-N 2.73Å |
| 79 | R | 33.2 | Very low | 41.4 | Very low | 219 Ų | 219 | 143.7 Ų | 143.7 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | | | trans | -168.2 | 139.7 | 156.4 | -102.7 | 161.6 | -141.6 | -118.9 | 10.3 | 109.3 | E77 | E77-R79 PolarHBondContact O-N 2.98Š|
| 80 | Q | 36.4 | Very low | 41.1 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 92.4 | 48 | 172.4 | -47.3 | -177.5 | 15.7 | 0 | 0 | 118.2 | | |
| 81 | A | 35.3 | Very low | 40.3 | Very low | 78 Ų | 78 | 145.6 Ų | 145.6 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -159.9 | 126.1 | 141.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 82 | Y | 34.8 | Very low | 39.2 | Very low | 225 Ų | 225 | 149.8 Ų | 149.8 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 77.3 | 79.1 | -179.2 | -49.1 | -79.1 | 0 | 0 | 0 | 117.1 | I84 | Y82-I84 PolarHBondContact O-N 3.23Š|
| 83 | G | 31.8 | Very low | 38.7 | Very low | 85 Ų | 85 | 144.3 Ų | 144.3 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | | | | 51.8 | 55.8 | 123.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 84 | I | 41 | Very low | 38.3 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -134.5 | 123.4 | 163.8 | -52.4 | 178 | 0 | 0 | 0 | 109.9 | Y82 | Y82-I84 PolarHBondContact O-N 3.23Š|
| 85 | P | 37.9 | Very low | 38 | Very low | 102 Ų | 102 | 150.6 Ų | 150.6 | 66% | 0.662 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75 | 155.7 | -175.6 | 31.6 | -34.5 | 0 | 0 | 0 | 112.2 | S87 | P85-S87 PolarHBondContact O-N 3.39Š|
| 86 | P | 39.2 | Very low | 38.2 | Very low | 124 Ų | 124 | 153 Ų | 153 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 125 | -176.2 | 30.8 | -32.2 | 0 | 0 | 0 | 110.7 | | |
| 87 | S | 46.2 | Very low | 38.2 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -95 | 151 | 168.3 | -68.1 | 0 | 0 | 0 | 0 | 111.2 | P85 | P85-S87 PolarHBondContact O-N 3.39Š|
| 88 | P | 41.1 | Very low | 38.3 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 152.3 | -148.6 | 33.4 | -33.6 | 0 | 0 | 0 | 113.3 | | |
| 89 | Q | 39.7 | Very low | 38.8 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 137.2 | 172.8 | -65.8 | -156.5 | -46.2 | 0 | 0 | 110.8 | S91 | Q89-S91 PolarHBondContact O-N 3.47Š|
| 90 | P | 49.1 | Very low | 39 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | trans | -78.6 | 110.5 | 166.8 | 30.9 | -27.6 | 0 | 0 | 0 | 108.8 | | |
| 91 | S | 38.8 | Very low | 39 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | trans | -63.8 | 147.5 | 159.6 | 50.4 | 0 | 0 | 0 | 0 | 111 | Q89 | Q89-S91 PolarHBondContact O-N 3.47Š|
| 92 | D | 34.1 | Very low | 39.1 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | | | trans | 63.6 | 118.4 | 151.8 | -50.7 | -34.4 | 0 | 0 | 0 | 119.4 | | |
| 93 | G | 34.2 | Very low | 39.4 | Very low | 65 Ų | 65 | 134.6 Ų | 134.6 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | | | trans | 165.2 | 121.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 94 | Y | 40.6 | Very low | 39.6 | Very low | 232 Ų | 232 | 134 Ų | 134 | 91% | 0.91 | 79% | 0.785 | S | S | * | * | | | trans | 97.4 | 67 | 162.9 | -57.9 | -76.3 | 0 | 0 | 0 | 118.7 | | |
| 95 | G | 34.4 | Very low | 39.5 | Very low | 78 Ų | 78 | 138.3 Ų | 138.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -89.1 | 134 | 134.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 96 | Q | 43 | Very low | 39.9 | Very low | 185 Ų | 185 | 142 Ų | 142 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -104.8 | 155.5 | 161.8 | -94.9 | -160.1 | -50.2 | 0 | 0 | 110.1 | | |
| 97 | P | 38.2 | Very low | 40.3 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | | | trans | -93.7 | 149.5 | -138.6 | 35.4 | -34 | 0 | 0 | 0 | 113.1 | | |
| 98 | S | 42.2 | Very low | 40.4 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -135.3 | 111.8 | 159.8 | -57.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 99 | V | 43.9 | Very low | 40.4 | Very low | 121 Ų | 121 | 141 Ų | 141 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | | | trans | -65.3 | 131.3 | -175.4 | 162.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 100 | H | 37.2 | Very low | 40.5 | Very low | 155 Ų | 155 | 138 Ų | 138 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | | | trans | 51.6 | 143.5 | 147.1 | -74.8 | -108.2 | 0 | 0 | 0 | 118.4 | | |
| 101 | E | 37.5 | Very low | 40.4 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | cis | -168.8 | 133.5 | 17.7 | -140 | 155.8 | 103.4 | 0 | 0 | 103.3 | | |
| 102 | G | 36.7 | Very low | 40.9 | Very low | 65 Ų | 65 | 139.7 Ų | 139.7 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | | | | 106.9 | 118.1 | 93.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 103 | R | 41.1 | Very low | 41.1 | Very low | 255 Ų | 255 | 135.3 Ų | 135.3 | 96% | 0.962 | 80% | 0.802 | S | S | * | * | | | trans | 77.3 | 127.8 | 162.5 | -50.5 | -179.1 | -169.3 | -157.9 | 2.5 | 116.1 | | |
| 104 | G | 35.8 | Very low | 41.3 | Very low | 72 Ų | 72 | 138.2 Ų | 138.2 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | | | cis | 128.6 | 111.9 | 10.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 105 | R | 39.6 | Very low | 41.2 | Very low | 249 Ų | 249 | 135.2 Ų | 135.2 | 94% | 0.94 | 81% | 0.805 | S | S | * | * | | | trans | 172.2 | 110.9 | 137 | -100.9 | -179.8 | -165 | -142.8 | 2.5 | 113.7 | | |
| 106 | M | 45.3 | Very low | 41.1 | Very low | 181 Ų | 181 | 134 Ų | 134 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | | | | 44.1 | 135.5 | 129.9 | -62.4 | -69.9 | -175.9 | 0 | 0 | 122.7 | | |
| 107 | P | 48.3 | Very low | 41 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | | | trans | -111.3 | 164.8 | 173.9 | 41.3 | -31.2 | 0 | 0 | 0 | 114 | | |
| 108 | T | 47.1 | Very low | 41.1 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | | | trans | -159.1 | 123.1 | 153.7 | 45.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 109 | G | 41.2 | Very low | 40.9 | Very low | 72 Ų | 72 | 130.9 Ų | 130.9 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | | 103.8 | 143.5 | 88.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 110 | S | 41.9 | Very low | 40.5 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | cis | -164.5 | 148.2 | 3.1 | -73.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 111 | V | 48.1 | Very low | 40.5 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | trans | -50.1 | -172.2 | 162.2 | -88.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 112 | P | 47.5 | Very low | 40.4 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | | | | -146 | -169.8 | -58.2 | 45 | -26.9 | 0 | 0 | 0 | 113.8 | | |
| 113 | G | 38.5 | Very low | 40.4 | Very low | 70 Ų | 70 | 129.9 Ų | 129.9 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | 109.7 | 159.4 | 147.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 114 | V | 40 | Very low | 40.7 | Very low | 127 Ų | 127 | 124 Ų | 124 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | cis | 176.9 | 146.9 | -5.9 | 114.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 115 | L | 37.5 | Very low | 40.8 | Very low | 168 Ų | 168 | 123.7 Ų | 123.7 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | | | trans | 57.2 | 150.6 | 159.5 | -81 | 77 | 0 | 0 | 0 | 119.2 | | |
| 116 | G | 33.5 | Very low | 40.6 | Very low | 53 Ų | 53 | 117.5 Ų | 117.5 | 55% | 0.546 | 79% | 0.793 | S | S | . | * | | | cis | 147.4 | 139.9 | 7.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 117 | T | 39.3 | Very low | 40.5 | Very low | 138 Ų | 138 | 115 Ų | 115 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | 65.8 | 154.5 | 151.1 | 80.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 118 | T | 41.2 | Very low | 40 | Very low | 133 Ų | 133 | 115.1 Ų | 115.1 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | | | cis | -168 | 160.5 | 26.3 | 34.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 119 | G | 37.9 | Very low | 39.5 | Very low | 83 Ų | 83 | 112 Ų | 112 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | 82.4 | 137.6 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 120 | G | 34.9 | Very low | 39.3 | Very low | 72 Ų | 72 | 111.8 Ų | 111.8 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | cis | 129.4 | 121.9 | 11.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 121 | K | 37.4 | Very low | 39.5 | Very low | 197 Ų | 197 | 114.3 Ų | 114.3 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | trans | 98.3 | 125.8 | 147.4 | -61.4 | -175 | 174.4 | -178.4 | 0 | 122.3 | | |
| 122 | T | 36.4 | Very low | 39.1 | Very low | 126 Ų | 126 | 116.2 Ų | 116.2 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | 80.9 | 104.3 | 130.1 | 47.1 | 0 | 0 | 0 | 0 | 123.1 | | |
| 123 | A | 36.1 | Very low | 38.5 | Very low | 92 Ų | 92 | 115.9 Ų | 115.9 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | | 25.6 | 173.7 | 113.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 124 | P | 47.4 | Very low | 38.7 | Very low | 133 Ų | 133 | 118 Ų | 118 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | cis | -136 | -177.6 | -44.7 | 36.1 | -17.2 | 0 | 0 | 0 | 113.4 | | |
| 125 | G | 37.4 | Very low | 38.5 | Very low | 65 Ų | 65 | 116.2 Ų | 116.2 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | | | trans | 169.6 | 113.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 126 | S | 35.7 | Very low | 38.6 | Very low | 118 Ų | 118 | 115.5 Ų | 115.5 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | | 52.1 | 130.8 | 97.9 | -70.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 127 | V | 42.2 | Very low | 38.9 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | | | | -170.8 | 132.9 | 60.8 | -132.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 128 | S | 38.2 | Very low | 38.8 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | | 81.6 | 134.4 | 111.5 | 66.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 129 | G | 38.2 | Very low | 39 | Very low | 83 Ų | 83 | 121.8 Ų | 121.8 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | | | trans | 120.6 | 116.9 | 152 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 130 | G | 36.8 | Very low | 39.1 | Very low | 67 Ų | 67 | 123.5 Ų | 123.5 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | | | cis | 138.6 | 139.2 | 11.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 131 | M | 44.5 | Very low | 39.3 | Very low | 174 Ų | 174 | 127.6 Ų | 127.6 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | 74.1 | 139.3 | 161.7 | -68.2 | 152.9 | 153.6 | 0 | 0 | 117 | | |
| 132 | E | 39.9 | Very low | 39.4 | Very low | 175 Ų | 175 | 127.6 Ų | 127.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | cis | -167.6 | 151.9 | 6.2 | -105.5 | 163.2 | 118.9 | 0 | 0 | 108 | | |
| 133 | S | 35.1 | Very low | 39.3 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -109.4 | -173.5 | 167.9 | -124.6 | 0 | 0 | 0 | 0 | 107 | | |
| 134 | P | 43.8 | Very low | 39.6 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | cis | -139.3 | -170 | -21.3 | 34.3 | -12.7 | 0 | 0 | 0 | 113.3 | | |
| 135 | A | 35.3 | Very low | 39.3 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | 78.5 | 128.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 136 | L | 39.5 | Very low | 39.5 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | | | trans | 172.4 | 96.7 | 131.6 | -86.4 | 172.4 | 0 | 0 | 0 | 107.9 | | |
| 137 | L | 39.4 | Very low | 39.6 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | | 83 | 132.1 | 109.2 | -71.3 | -178.8 | 0 | 0 | 0 | 116.3 | | |
| 138 | P | 38.6 | Very low | 39.7 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | | | trans | -105.6 | 153 | -178.1 | 39.2 | -29.9 | 0 | 0 | 0 | 113.6 | | |
| 139 | E | 45.2 | Very low | 39.8 | Very low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | | | trans | -131.5 | 104.4 | 164.9 | -71.3 | -154.7 | 114.8 | 0 | 0 | 108.5 | | |
| 140 | T | 38.5 | Very low | 39.7 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | | | | 66.5 | 126.4 | 105 | 63.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 141 | M | 40.8 | Very low | 40 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 78% | 0.778 | 80% | 0.795 | S | S | * | * | | | trans | 170.5 | 115.7 | 132.6 | -83.3 | -79.1 | -162.8 | 0 | 0 | 110.5 | | |
| 142 | F | 38.3 | Very low | 39.5 | Very low | 196 Ų | 196 | 137.4 Ų | 137.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | 62.1 | 110.9 | 150.1 | -74.5 | -99.8 | 0 | 0 | 0 | 119 | | |
| 143 | G | 34.4 | Very low | 39.8 | Very low | 76 Ų | 76 | 135.3 Ų | 135.3 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | | 106.9 | 125.2 | 66.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 144 | S | 41.4 | Very low | 40 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | cis | -167.7 | 125.9 | 41.2 | 47 | 0 | 0 | 0 | 0 | 107.2 | | |
| 145 | E | 41.6 | Very low | 39.8 | Very low | 162 Ų | 162 | 135 Ų | 135 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | | | | 87.3 | 130 | 104.9 | -71.1 | -167.6 | 105.9 | 0 | 0 | 117.4 | | |
| 146 | F | 42.1 | Very low | 39.9 | Very low | 193 Ų | 193 | 134.1 Ų | 134.1 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | 91.6 | 108.3 | 161.5 | -64.4 | -75.3 | 0 | 0 | 0 | 121.2 | | |
| 147 | G | 38.8 | Very low | 40.1 | Very low | 78 Ų | 78 | 133.3 Ų | 133.3 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | 133.6 | 74.1 | 132.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 148 | E | 42.7 | Very low | 40.2 | Very low | 183 Ų | 183 | 129.5 Ų | 129.5 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | trans | -53 | 141.3 | 174.9 | -66.4 | 161.7 | 98.9 | 0 | 0 | 115.3 | | |
| 149 | S | 40.5 | Very low | 40.4 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | | -161.4 | 112.6 | 122.4 | -168.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 150 | L | 36.4 | Very low | 40.5 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | | | trans | -53.9 | 134.5 | 172.8 | -90.6 | 78.9 | 0 | 0 | 0 | 112.7 | | |
| 151 | V | 42.2 | Very low | 41 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | | | trans | -141.6 | 111.1 | 136.7 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | V153 | V151-V153 HydrophobicContact CG1-CG2 4.2Š|
| 152 | T | 34.7 | Very low | 41.2 | Very low | 124 Ų | 124 | 137 Ų | 137 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | | | trans | -77.7 | 118.7 | 172.9 | -51.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 153 | V | 45.5 | Very low | 41.6 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | -142.2 | 138 | 161 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | V151 | V151-V153 HydrophobicContact CG1-CG2 4.2Š|
| 154 | A | 40.4 | Very low | 41.9 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -52.9 | 162.3 | -166.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 155 | P | 40 | Very low | 42.1 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -84.1 | 131.3 | -174.6 | 34.1 | -30.5 | 0 | 0 | 0 | 111.3 | | |
| 156 | G | 38 | Very low | 42.3 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | | | trans | 140.5 | 56 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 157 | V | 42.9 | Very low | 42.4 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | -148.7 | 136.3 | 162.1 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 158 | A | 42.3 | Very low | 43 | Very low | 81 Ų | 81 | 135.3 Ų | 135.3 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | | | trans | -16.2 | 136.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q160 | A158-Q160 PolarHBondContact O-N 2.87Š|
| 159 | R | 42.2 | Very low | 43.4 | Very low | 256 Ų | 256 | 130.2 Ų | 130.2 | 97% | 0.966 | 75% | 0.752 | S | S | * | * | | | trans | -49.8 | 101.5 | 166.8 | -68.9 | -175.4 | 178.6 | -160 | -0.7 | 110.3 | K161 | R159-K161 PolarHBondContact O-N 3.43Š|
| 160 | Q | 46.6 | Very low | 43.8 | Very low | 169 Ų | 169 | 131.3 Ų | 131.3 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | | | trans | -77.4 | 116 | 168.1 | -71.3 | 178.2 | 5.3 | 0 | 0 | 107.7 | A158 | A158-Q160 PolarHBondContact O-N 2.87Š|
| 161 | K | 48.5 | Very low | 44.2 | Very low | 185 Ų | 185 | 128 Ų | 128 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | trans | -54.1 | 142.4 | 161.2 | -81.5 | 179.2 | 173.1 | -173.6 | 0 | 108.2 | R159 I163 | R159-K161 PolarHBondContact O-N 3.43Å; K161-I163 PolarHBondContact O-N 3.03Å |
| 162 | P | 46.1 | Very low | 44.2 | Very low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | | | trans | -59.8 | 108.9 | 174.4 | 25.4 | -32.1 | 0 | 0 | 0 | 108.4 | C164 | P162-C164 PolarHBondContact O-N 3.34Š|
| 163 | I | 47.2 | Very low | 44.6 | Very low | 145 Ų | 145 | 134 Ų | 134 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | | | trans | -72.2 | 98.2 | 173.8 | -60.2 | 172.8 | 0 | 0 | 0 | 105.9 | K161 R165 | K161-I163 PolarHBondContact O-N 3.03Å; I163-R165 PolarHBondContact O-N 2.89Å |
| 164 | C | 39.9 | Very low | 44.2 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | | | trans | -57.5 | 111.5 | 164 | -68.9 | 0 | 0 | 0 | 0 | 107.8 | P162 C166 | P162-C164 PolarHBondContact O-N 3.34Å; C164-C166 PolarHBondContact O-N 3.27Å |
| 165 | R | 45.2 | Very low | 44.3 | Very low | 246 Ų | 246 | 132.1 Ų | 132.1 | 93% | 0.928 | 73% | 0.725 | S | S | * | * | | | trans | -71.8 | 65.8 | 170.3 | -82.9 | -176.6 | 167.7 | 167.1 | -2.5 | 109.6 | I163 | I163-R165 PolarHBondContact O-N 2.89Š|
| 166 | C | 45.5 | Very low | 44.3 | Very low | 77 Ų | 77 | 130 Ų | 130 | 52% | 0.52 | 72% | 0.719 | S | S | . | * | | | trans | -105.4 | 128.3 | 172.2 | -66.8 | 0 | 0 | 0 | 0 | 108.9 | C164 P168 | C164-C166 PolarHBondContact O-N 3.27Å; C166-P168 WeakPolarHBondContact O-CD 3.44Å |
| 167 | N | 45.9 | Very low | 44.5 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | | | trans | -60.1 | 120.1 | 173.7 | -171.1 | -7.7 | 0 | 0 | 0 | 108.3 | A169 Q170 | N167-A169 PolarHBondContact O-N 2.92Å; N167-Q170 PolarHBondContact O-N 3.21Å |
| 168 | P | 51.2 | Low | 44.2 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 66% | 0.662 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -19.4 | -173.6 | 17.1 | -29.5 | 0 | 0 | 0 | 113.7 | C166 Q170 | C166-P168 WeakPolarHBondContact O-CD 3.44Å; P168-Q170 PolarHBondContact O-N 3.05Å |
| 169 | A | 50 | Low | 44.1 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -22.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N167 | N167-A169 PolarHBondContact O-N 2.92Š|
| 170 | Q | 48.7 | Very low | 43.9 | Very low | 144 Ų | 144 | 117.8 Ų | 117.8 | 67% | 0.673 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -19.6 | -179 | -66.9 | -176 | 14.9 | 0 | 0 | 113.4 | N167 P168 K172 K173 | N167-Q170 PolarHBondContact O-N 3.21Å; P168-Q170 PolarHBondContact O-N 3.05Å; Q170-K172 PolarHBondContact O-N 3.37Å; Q170-K173 PolarHBondContact O-N 2.93Å |
| 171 | A | 44.3 | Very low | 43.5 | Very low | 67 Ų | 67 | 115.5 Ų | 115.5 | 55% | 0.554 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -63.1 | -22.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K173 | A171-K173 VanDerWaalsContact C-N 3.26Å; A171-K173 PolarHBondContact O-N 3.38Å |
| 172 | K | 42.7 | Very low | 42.9 | Very low | 197 Ų | 197 | 114.9 Ų | 114.9 | 86% | 0.857 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -74.4 | -4 | 178.9 | -67.4 | -168.6 | 176.6 | -165.7 | 0 | 114.9 | Q170 | Q170-K172 PolarHBondContact O-N 3.37Š|
| 173 | K | 44.2 | Very low | 42.5 | Very low | 187 Ų | 187 | 110.9 Ų | 110.9 | 81% | 0.813 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -108.9 | -1.9 | -173.1 | -81.5 | -177.9 | 179.8 | -176.8 | 0 | 115.8 | Q170 A171 | Q170-K173 PolarHBondContact O-N 2.93Å; A171-K173 VanDerWaalsContact C-N 3.26Å; A171-K173 PolarHBondContact O-N 3.38Å |
| 174 | C | 36.2 | Very low | 42.1 | Very low | 80 Ų | 80 | 112.1 Ų | 112.1 | 54% | 0.541 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -83.5 | 123.8 | 175.1 | -58 | 0 | 0 | 0 | 0 | 109.6 | A176 | C174-A176 PolarHBondContact O-N 3.48Š|
| 175 | P | 43.1 | Very low | 42 | Very low | 99 Ų | 99 | 117.3 Ų | 117.3 | 64% | 0.643 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 132.2 | 169.5 | 27.6 | -31.5 | 0 | 0 | 0 | 108.8 | G177 | P175-G177 PolarHBondContact O-N 3.33Š|
| 176 | A | 40.6 | Very low | 41.5 | Very low | 91 Ų | 91 | 107 Ų | 107 | 75% | 0.752 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 131 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | C174 | C174-A176 PolarHBondContact O-N 3.48Š|
| 177 | G | 40.6 | Very low | 41.1 | Very low | 22 Ų | 22 | 111.6 Ų | 111.6 | 23% | 0.227 | 64% | 0.635 | C | S | . | * | P | Polyproline II helix | trans | -59 | 162 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P175 | P175-G177 PolarHBondContact O-N 3.33Š|
| 178 | P | 36.7 | Very low | 40.8 | Very low | 119 Ų | 119 | 110.6 Ų | 110.6 | 77% | 0.773 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 143.7 | -180 | 24.9 | -33.2 | 0 | 0 | 0 | 111 | G180 | P178-G180 PolarHBondContact O-N 2.92Š|
| 179 | P | 40.1 | Very low | 40 | Very low | 115 Ų | 115 | 107.1 Ų | 107.1 | 75% | 0.747 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 134.9 | 175.9 | -25.2 | 33.8 | 0 | 0 | 0 | 111.7 | | |
| 180 | G | 38.1 | Very low | 39.5 | Very low | 31 Ų | 31 | 112.6 Ų | 112.6 | 32% | 0.32 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 163.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | P178 | P178-G180 PolarHBondContact O-N 2.92Š|
| 181 | P | 38 | Very low | 39 | Very low | 120 Ų | 120 | 111.3 Ų | 111.3 | 78% | 0.779 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -59 | 142.8 | 177.7 | 26.1 | -33.8 | 0 | 0 | 0 | 110.9 | G183 | P181-G183 PolarHBondContact O-N 3.37Š|
| 182 | K | 37.1 | Very low | 38.6 | Very low | 173 Ų | 173 | 109.4 Ų | 109.4 | 75% | 0.752 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -63 | 129.2 | 177.5 | -171 | 175.9 | -178.7 | 176.5 | 0 | 109.6 | | |
| 183 | G | 37.4 | Very low | 38.4 | Very low | 36 Ų | 36 | 104.9 Ų | 104.9 | 37% | 0.371 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 149.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | P181 | P181-G183 PolarHBondContact O-N 3.37Š|
| 184 | Q | 39.2 | Very low | 38 | Very low | 171 Ų | 171 | 99.6 Ų | 99.6 | 80% | 0.799 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 151.2 | 178.7 | -61.6 | -173.3 | 40.3 | 0 | 0 | 110.9 | G186 | Q184-G186 PolarHBondContact O-N 3.33Š|
| 185 | R | 37.9 | Very low | 37.8 | Very low | 210 Ų | 210 | 97.1 Ų | 97.1 | 79% | 0.792 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 129.1 | 173.9 | -177.8 | -172.9 | -70.5 | -177.1 | -2 | 108.3 | V240 | R185-V240 HydrophobicContact CG-CG1 4.05Š|
| 186 | G | 33.4 | Very low | 37.7 | Very low | 29 Ų | 29 | 101.2 Ų | 101.2 | 30% | 0.299 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 149.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q184 | Q184-G186 PolarHBondContact O-N 3.33Š|
| 187 | E | 38.7 | Very low | 37.7 | Very low | 173 Ų | 173 | 101 Ų | 101 | 81% | 0.808 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 144.6 | 175.2 | -67 | -163.1 | 115.2 | 0 | 0 | 110.9 | | |
| 188 | P | 38.6 | Very low | 37.4 | Very low | 82 Ų | 82 | 101.8 Ų | 101.8 | 53% | 0.532 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 141.1 | 172.7 | -23.1 | 33.6 | 0 | 0 | 0 | 111.3 | Q237 | P188-Q237 VanDerWaalsContact CB-NE2 3.3Š|
| 189 | G | 35 | Very low | 37.5 | Very low | 28 Ų | 28 | 105.5 Ų | 105.5 | 29% | 0.289 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 147.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q237 | G189-Q237 PolarHBondContact O-NE2 2.87Å; G189-Q237 VanDerWaalsContact O-NE2 3.13Å |
| 190 | Q | 38.6 | Very low | 37.4 | Very low | 190 Ų | 190 | 103.5 Ų | 103.5 | 89% | 0.888 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 141.3 | 171.2 | -67 | 179.3 | -8.4 | 0 | 0 | 109.7 | G192 | Q190-G192 PolarHBondContact O-N 2.84Š|
| 191 | D | 39.7 | Very low | 37.2 | Very low | 118 Ų | 118 | 104.4 Ų | 104.4 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 137.8 | 175.6 | -64.5 | -37 | 0 | 0 | 0 | 110.2 | | |
| 192 | G | 34.7 | Very low | 37.2 | Very low | 26 Ų | 26 | 108.3 Ų | 108.3 | 27% | 0.268 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -62 | 155.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q190 | Q190-G192 PolarHBondContact O-N 2.84Š|
| 193 | P | 38.1 | Very low | 37.1 | Very low | 102 Ų | 102 | 105 Ų | 105 | 66% | 0.662 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 142.8 | 175.2 | 26 | -33.8 | 0 | 0 | 0 | 110.5 | G195 M335 | P193-G195 PolarHBondContact O-N 3.44Å; P193-M335 HydrophobicContact CG-SD 4.17Å |
| 194 | S | 36.8 | Very low | 37.1 | Very low | 77 Ų | 77 | 108.5 Ų | 108.5 | 54% | 0.538 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 136.5 | 173.6 | -166.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 195 | G | 32.6 | Very low | 37.2 | Very low | 28 Ų | 28 | 107.7 Ų | 107.7 | 29% | 0.289 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 145.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P193 | P193-G195 PolarHBondContact O-N 3.44Š|
| 196 | E | 39.4 | Very low | 37.4 | Very low | 185 Ų | 185 | 104.3 Ų | 104.3 | 86% | 0.864 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 143.3 | 174.5 | -73 | -173.3 | 117.7 | 0 | 0 | 110.8 | G198 | E196-G198 PolarHBondContact O-N 2.87Š|
| 197 | P | 41.7 | Very low | 37.9 | Very low | 87 Ų | 87 | 108.6 Ų | 108.6 | 57% | 0.565 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 137.1 | 173.5 | -23.6 | 32.6 | 0 | 0 | 0 | 111.4 | | |
| 198 | G | 34.3 | Very low | 38 | Very low | 38 Ų | 38 | 109.8 Ų | 109.8 | 39% | 0.392 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 140.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E196 A200 | E196-G198 PolarHBondContact O-N 2.87Å; G198-A200 PolarHBondContact O-N 2.89Å |
| 199 | K | 38.1 | Very low | 37.9 | Very low | 196 Ų | 196 | 109.8 Ų | 109.8 | 85% | 0.852 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 134.3 | 174.4 | -62.5 | -170.2 | -178.9 | -163.7 | 0 | 109 | G201 | K199-G201 PolarHBondContact O-N 2.94Š|
| 200 | A | 37.5 | Very low | 38.3 | Very low | 74 Ų | 74 | 117.4 Ų | 117.4 | 61% | 0.612 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 132.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | G198 R202 | G198-A200 PolarHBondContact O-N 2.89Å; A200-R202 PolarHBondContact O-N 3.3Å |
| 201 | G | 34.3 | Very low | 38.4 | Very low | 49 Ų | 49 | 120.4 Ų | 120.4 | 51% | 0.505 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 127.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | K199 D203 | K199-G201 PolarHBondContact O-N 2.94Å; G201-D203 PolarHBondContact O-N 3.24Å; G201-D203 VanDerWaalsContact O-N 3.07Å |
| 202 | R | 37.9 | Very low | 38.8 | Very low | 203 Ų | 203 | 122.3 Ų | 122.3 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 121.3 | 171 | -64.1 | -176.3 | -173.7 | -173.5 | 0.6 | 107.5 | A200 R344 | A200-R202 PolarHBondContact O-N 3.3Å; R202-R344 PolarHBondContact O-NH2 3.31Å |
| 203 | D | 35.7 | Very low | 39.4 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 55% | 0.545 | 70% | 0.702 | S | S | . | * | | | trans | -38.3 | 151.9 | 164.3 | -43.1 | 25.9 | 0 | 0 | 0 | 108.4 | G201 E205 | G201-D203 PolarHBondContact O-N 3.24Å; G201-D203 VanDerWaalsContact O-N 3.07Å; D203-E205 HydrophobicContact CB-CB 4.28Å; D203-E205 HydrophobicContact CB-CG 3.9Å; D203-E205 PolarHBondContact O-N 3.28Å |
| 204 | A | 37.1 | Very low | 39.9 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 91% | 0.909 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -68.1 | 37.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D206 | A204-D206 VanDerWaalsContact C-N 3.27Š|
| 205 | E | 41.6 | Very low | 40.6 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | | | trans | -89.7 | 15.7 | 176.8 | -69.1 | -162.6 | 130.3 | 0 | 0 | 112.6 | D203 V207 | D203-E205 HydrophobicContact CB-CB 4.28Å; D203-E205 HydrophobicContact CB-CG 3.9Å; D203-E205 PolarHBondContact O-N 3.28Å; E205-V207 PolarHBondContact O-N 2.88Å |
| 206 | D | 42 | Very low | 41.2 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -75.1 | 75.6 | 157.5 | -84.2 | -30.8 | 0 | 0 | 0 | 110.4 | A204 Q208 | A204-D206 VanDerWaalsContact C-N 3.27Å; D206-Q208 PolarHBondContact O-N 3.45Å |
| 207 | V | 43.3 | Very low | 41.6 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | | | | 54.4 | 65.7 | 128.9 | -162.4 | 0 | 0 | 0 | 0 | 115.6 | E205 | E205-V207 PolarHBondContact O-N 2.88Š|
| 208 | Q | 41.2 | Very low | 42.2 | Very low | 197 Ų | 197 | 130.4 Ų | 130.4 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | | | trans | -108.7 | 82.7 | 137.8 | -133.4 | 163.9 | 15.2 | 0 | 0 | 108.9 | D206 Q210 | D206-Q208 PolarHBondContact O-N 3.45Å; Q208-Q210 PolarHBondContact O-N 2.88Å; Q208-Q210 VanDerWaalsContact O-N 3.11Å |
| 209 | A | 36.8 | Very low | 43.2 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | trans | -43.3 | 111.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 210 | Q | 42.3 | Very low | 43.4 | Very low | 188 Ų | 188 | 127.8 Ų | 127.8 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | | | trans | 175.5 | 5.1 | 146.8 | -102.3 | 171.2 | 26.6 | 0 | 0 | 117.7 | Q208 | Q208-Q210 PolarHBondContact O-N 2.88Å; Q208-Q210 VanDerWaalsContact O-N 3.11Å |
| 211 | R | 41.8 | Very low | 44 | Very low | 254 Ų | 254 | 133.9 Ų | 133.9 | 96% | 0.958 | 75% | 0.747 | S | S | * | * | | | trans | -113.5 | 124.4 | -179.4 | -68.8 | -167.5 | 177.6 | -148.7 | 0.9 | 114.1 | | |
| 212 | Q | 48 | Very low | 44.7 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | trans | -59.8 | 153.6 | -172.4 | -63.5 | -174.2 | -10.3 | 0 | 0 | 113.1 | L214 | Q212-L214 PolarHBondContact O-N 2.88Š|
| 213 | P | 47.6 | Very low | 44.8 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | | | trans | -76.8 | 89.1 | -173.9 | 32.7 | -32.5 | 0 | 0 | 0 | 109.4 | | |
| 214 | L | 47.7 | Very low | 45.3 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | trans | -97.5 | 100.2 | 171.1 | -86.5 | 126.2 | 0 | 0 | 0 | 109.5 | Q212 | Q212-L214 PolarHBondContact O-N 2.88Š|
| 215 | G | 50.8 | Low | 45.5 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | trans | 61.9 | 105.7 | 140.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | C217 | G215-C217 PolarHBondContact O-N 3.43Š|
| 216 | T | 46.6 | Very low | 45.6 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 90% | 0.902 | 74% | 0.739 | S | S | * | * | | | trans | -49.6 | 95.7 | 162.6 | 42.7 | 0 | 0 | 0 | 0 | 111.1 | A218 | T216-A218 VanDerWaalsContact C-N 3.32Å; T216-A218 PolarHBondContact O-N 3.09Å |
| 217 | C | 46.9 | Very low | 45.6 | Very low | 63 Ų | 63 | 124.5 Ų | 124.5 | 43% | 0.426 | 74% | 0.741 | S | S | . | * | | | trans | -72.3 | 90.2 | 166.6 | 178.4 | 0 | 0 | 0 | 0 | 108 | G215 T219 C220 | G215-C217 PolarHBondContact O-N 3.43Å; C217-T219 PolarHBondContact O-N 3.39Å; C217-T219 PolarHBondContact SG-OG1 3.33Å; C217-T219 VanDerWaalsContact SG-OG1 3.41Å; C217-C220 HydrophobicContact CB-CB 3.88Å; C217-C220 WeakPolarHBondContact CB-SG 3.43Å; C217-C220 PolarHBondContact O-N 3.48Å; C217-C220 WeakPolarHBondContact SG-CB 3.41Å; C217-C220 PolarHBondContact SG-N 3.49Å; C217-C220 CovalentContact SG-SG 2.06Å; C217-C220 PolarHBondContact SG-SG 3.16Å |
| 218 | A | 55.3 | Low | 45.8 | Very low | 105 Ų | 105 | 123.2 Ų | 123.2 | 87% | 0.868 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 0.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | T216 | T216-A218 VanDerWaalsContact C-N 3.32Å; T216-A218 PolarHBondContact O-N 3.09Å |
| 219 | T | 55.7 | Low | 45.8 | Very low | 129 Ų | 129 | 116.3 Ų | 116.3 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | -0.2 | -175.5 | 50 | 0 | 0 | 0 | 0 | 113.8 | C217 F221 | C217-T219 PolarHBondContact O-N 3.39Å; C217-T219 PolarHBondContact SG-OG1 3.33Å; C217-T219 VanDerWaalsContact SG-OG1 3.41Å; T219-F221 PolarHBondContact O-N 3.45Å |
| 220 | C | 42.3 | Very low | 46 | Very low | 50 Ų | 50 | 118.5 Ų | 118.5 | 34% | 0.338 | 72% | 0.724 | S | S | . | * | | | trans | -90.8 | 89.7 | -179.9 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | C217 S222 C223 | C217-C220 HydrophobicContact CB-CB 3.88Å; C217-C220 WeakPolarHBondContact CB-SG 3.43Å; C217-C220 PolarHBondContact O-N 3.48Å; C217-C220 WeakPolarHBondContact SG-CB 3.41Å; C217-C220 PolarHBondContact SG-N 3.49Å; C217-C220 CovalentContact SG-SG 2.06Å; C217-C220 PolarHBondContact SG-SG 3.16Å; C220-S222 PolarHBondContact O-N 2.89Å; C220-C223 PolarHBondContact O-N 2.91Å |
| 221 | F | 49.6 | Very low | 46.1 | Very low | 201 Ų | 201 | 114 Ų | 114 | 88% | 0.882 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -6.1 | 176.8 | -136.5 | -90.5 | 0 | 0 | 0 | 113.5 | T219 | T219-F221 PolarHBondContact O-N 3.45Š|
| 222 | S | 48.1 | Very low | 45.9 | Very low | 90 Ų | 90 | 103.4 Ų | 103.4 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -0.8 | 179.6 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | C220 | C220-S222 PolarHBondContact O-N 2.89Š|
| 223 | C | 41 | Very low | 45.5 | Very low | 107 Ų | 107 | 101.2 Ų | 101.2 | 72% | 0.723 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -104.8 | 7.3 | 179.3 | -67.4 | 0 | 0 | 0 | 0 | 113.3 | C220 | C220-C223 PolarHBondContact O-N 2.91Š|
| 224 | T | 45.5 | Very low | 45.2 | Very low | 104 Ų | 104 | 99.3 Ų | 99.3 | 64% | 0.638 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -86 | 127.1 | -178.9 | -28.8 | 0 | 0 | 0 | 0 | 109.2 | G226 | T224-G226 PolarHBondContact O-N 3.31Š|
| 225 | A | 41.3 | Very low | 44.7 | Very low | 80 Ų | 80 | 93 Ų | 93 | 66% | 0.661 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 132.6 | 168 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 226 | G | 43 | Very low | 44.2 | Very low | 60 Ų | 60 | 94.4 Ų | 94.4 | 62% | 0.619 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 151.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T224 | T224-G226 PolarHBondContact O-N 3.31Š|
| 227 | P | 43.7 | Very low | 43.9 | Very low | 120 Ų | 120 | 92.6 Ų | 92.6 | 78% | 0.779 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 146.9 | 177.1 | 25 | -33.8 | 0 | 0 | 0 | 110.1 | G229 | P227-G229 PolarHBondContact O-N 3.48Š|
| 228 | P | 45.9 | Very low | 43.5 | Very low | 92 Ų | 92 | 90.5 Ų | 90.5 | 60% | 0.597 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 141.5 | 170.7 | -26.5 | 34.4 | 0 | 0 | 0 | 111 | | |
| 229 | G | 41.5 | Very low | 42.6 | Very low | 52 Ų | 52 | 92.9 Ų | 92.9 | 54% | 0.536 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 154.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P227 | P227-G229 PolarHBondContact O-N 3.48Š|
| 230 | P | 41.9 | Very low | 41.9 | Very low | 129 Ų | 129 | 90.1 Ų | 90.1 | 84% | 0.838 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 149.9 | 177 | 26.8 | -34.4 | 0 | 0 | 0 | 110.7 | G232 | P230-G232 PolarHBondContact O-N 2.94Š|
| 231 | N | 43.6 | Very low | 41.7 | Very low | 92 Ų | 92 | 89 Ų | 89 | 49% | 0.492 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 141.6 | 171.3 | -72 | -10.6 | 0 | 0 | 0 | 109.8 | | |
| 232 | G | 37.9 | Very low | 41.3 | Very low | 32 Ų | 32 | 84.8 Ų | 84.8 | 33% | 0.33 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 153 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P230 | P230-G232 PolarHBondContact O-N 2.94Š|
| 233 | P | 39.8 | Very low | 41 | Very low | 111 Ų | 111 | 83.3 Ų | 83.3 | 72% | 0.721 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 151.7 | 175.2 | 26.8 | -34.3 | 0 | 0 | 0 | 110.7 | | |
| 234 | P | 41.4 | Very low | 40.8 | Very low | 96 Ų | 96 | 79.6 Ų | 79.6 | 62% | 0.623 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 144.1 | 170.2 | -25.1 | 34.2 | 0 | 0 | 0 | 111.3 | | |
| 235 | G | 37.5 | Very low | 40.6 | Very low | 26 Ų | 26 | 85.3 Ų | 85.3 | 27% | 0.268 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 156 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 236 | P | 40.1 | Very low | 40.8 | Very low | 96 Ų | 96 | 85.5 Ų | 85.5 | 62% | 0.623 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 147 | 176.4 | 27.2 | -34.4 | 0 | 0 | 0 | 111 | G238 | P236-G238 PolarHBondContact O-N 2.8Š|
| 237 | Q | 40.9 | Very low | 40.5 | Very low | 110 Ų | 110 | 84.1 Ų | 84.1 | 51% | 0.514 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 137.1 | 173.7 | -168.6 | 173.7 | 17.3 | 0 | 0 | 110.2 | P188 G189 | P188-Q237 VanDerWaalsContact CB-NE2 3.3Å; G189-Q237 PolarHBondContact O-NE2 2.87Å; G189-Q237 VanDerWaalsContact O-NE2 3.13Å |
| 238 | G | 36.7 | Very low | 40.3 | Very low | 19 Ų | 19 | 84 Ų | 84 | 20% | 0.196 | 53% | 0.53 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 143.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P236 V240 | P236-G238 PolarHBondContact O-N 2.8Å; G238-V240 PolarHBondContact O-N 3.32Å |
| 239 | L | 37.9 | Very low | 40.2 | Very low | 155 Ų | 155 | 82.6 Ų | 82.6 | 81% | 0.812 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 137.2 | 176 | -66.6 | 172.8 | 0 | 0 | 0 | 110.1 | G241 | L239-G241 PolarHBondContact O-N 2.84Š|
| 240 | V | 40.3 | Very low | 40 | Very low | 71 Ų | 71 | 82.1 Ų | 82.1 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 127 | 172.3 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | R185 G238 | R185-V240 HydrophobicContact CG-CG1 4.05Å; G238-V240 PolarHBondContact O-N 3.32Å |
| 241 | G | 37.8 | Very low | 39.8 | Very low | 27 Ų | 27 | 81.6 Ų | 81.6 | 28% | 0.278 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 153 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L239 | L239-G241 PolarHBondContact O-N 2.84Š|
| 242 | P | 41.2 | Very low | 39.7 | Very low | 112 Ų | 112 | 81.3 Ų | 81.3 | 73% | 0.727 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 148 | 176.7 | 26.9 | -34.3 | 0 | 0 | 0 | 110.6 | G244 | P242-G244 PolarHBondContact O-N 2.92Š|
| 243 | S | 42.3 | Very low | 39.6 | Very low | 59 Ų | 59 | 82.6 Ų | 82.6 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 140.4 | 170.9 | -62 | 0 | 0 | 0 | 0 | 110.3 | | |
| 244 | G | 37 | Very low | 39.5 | Very low | 28 Ų | 28 | 85.2 Ų | 85.2 | 29% | 0.289 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 147.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P242 | P242-G244 PolarHBondContact O-N 2.92Š|
| 245 | R | 41.7 | Very low | 39.5 | Very low | 224 Ų | 224 | 86.7 Ų | 86.7 | 85% | 0.845 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 143.8 | 175.2 | -69.1 | -174.4 | 176.9 | -150 | -0.7 | 109.4 | | |
| 246 | P | 45 | Very low | 39.7 | Very low | 85 Ų | 85 | 88.5 Ų | 88.5 | 55% | 0.552 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 142 | 170.4 | -22.8 | 33.2 | 0 | 0 | 0 | 110.7 | | |
| 247 | G | 36.6 | Very low | 40 | Very low | 31 Ų | 31 | 89.7 Ų | 89.7 | 32% | 0.32 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 149.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 248 | T | 38.7 | Very low | 40.3 | Very low | 118 Ų | 118 | 90.4 Ų | 90.4 | 72% | 0.724 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 137.9 | 174.1 | 48.1 | 0 | 0 | 0 | 0 | 109.8 | G250 | T248-G250 PolarHBondContact O-N 3.4Š|
| 249 | P | 45.2 | Very low | 40.5 | Very low | 62 Ų | 62 | 93 Ų | 93 | 40% | 0.403 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -53.9 | 139.3 | 171.5 | -24.5 | 33.9 | 0 | 0 | 0 | 110.9 | | |
| 250 | G | 36.1 | Very low | 41.1 | Very low | 41 Ų | 41 | 94.9 Ų | 94.9 | 42% | 0.423 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 149.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T248 | T248-G250 PolarHBondContact O-N 3.4Š|
| 251 | C | 37.6 | Very low | 41.5 | Very low | 118 Ų | 118 | 100.3 Ų | 100.3 | 80% | 0.797 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 136.9 | 173.4 | -61.8 | 0 | 0 | 0 | 0 | 110 | | |
| 252 | D | 42 | Very low | 41.7 | Very low | 87 Ų | 87 | 101.5 Ų | 101.5 | 47% | 0.465 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 141.3 | 167.8 | -69.2 | -32.8 | 0 | 0 | 0 | 110.3 | | |
| 253 | G | 36.3 | Very low | 42.1 | Very low | 59 Ų | 59 | 102 Ų | 102 | 61% | 0.608 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 144.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 254 | M | 37.5 | Very low | 42.5 | Very low | 166 Ų | 166 | 105.3 Ų | 105.3 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 141.5 | 177.2 | -66.9 | 180 | 66.8 | 0 | 0 | 110.9 | G256 | M254-G256 PolarHBondContact O-N 2.86Š|
| 255 | P | 42 | Very low | 42.5 | Very low | 126 Ų | 126 | 106.6 Ų | 106.6 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 137.3 | 168.8 | -23.9 | 33.4 | 0 | 0 | 0 | 110.8 | | |
| 256 | G | 40.7 | Very low | 42.7 | Very low | 64 Ų | 64 | 104.7 Ų | 104.7 | 66% | 0.66 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 155.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M254 | M254-G256 PolarHBondContact O-N 2.86Š|
| 257 | P | 45.8 | Very low | 42.9 | Very low | 121 Ų | 121 | 106.7 Ų | 106.7 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 149.9 | 178 | 26.1 | -34.2 | 0 | 0 | 0 | 111.3 | G259 | P257-G259 PolarHBondContact O-N 3.4Š|
| 258 | P | 47.2 | Very low | 42.9 | Very low | 126 Ų | 126 | 107.2 Ų | 107.2 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 140.4 | 170.1 | -23.2 | 33.2 | 0 | 0 | 0 | 110.9 | | |
| 259 | G | 41.1 | Very low | 43.3 | Very low | 73 Ų | 73 | 107.9 Ų | 107.9 | 75% | 0.753 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 148.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P257 | P257-G259 PolarHBondContact O-N 3.4Š|
| 260 | E | 50.9 | Low | 43.2 | Very low | 195 Ų | 195 | 116.5 Ų | 116.5 | 91% | 0.911 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 141.9 | 176.5 | -64.4 | -174.2 | 153.1 | 0 | 0 | 111.3 | G262 | E260-G262 PolarHBondContact O-N 2.9Š|
| 261 | M | 49.3 | Very low | 43.2 | Very low | 185 Ų | 185 | 116.8 Ų | 116.8 | 91% | 0.911 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 128.9 | 173.1 | -176.9 | 169.9 | 61.8 | 0 | 0 | 109.2 | | |
| 262 | G | 41.9 | Very low | 43.6 | Very low | 51 Ų | 51 | 118.9 Ų | 118.9 | 53% | 0.526 | 74% | 0.738 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 154.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E260 | E260-G262 PolarHBondContact O-N 2.9Š|
| 263 | P | 49.9 | Very low | 43.9 | Very low | 123 Ų | 123 | 119.4 Ų | 119.4 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 152.1 | 179.3 | 26.4 | -34.6 | 0 | 0 | 0 | 111.6 | | |
| 264 | P | 49.1 | Very low | 44.1 | Very low | 129 Ų | 129 | 119 Ų | 119 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 143.3 | 172.3 | -23.8 | 33.3 | 0 | 0 | 0 | 111.8 | | |
| 265 | G | 37.2 | Very low | 45 | Very low | 54 Ų | 54 | 117.3 Ų | 117.3 | 56% | 0.557 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -59 | 149.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 266 | Q | 47.6 | Very low | 45.6 | Very low | 185 Ų | 185 | 121 Ų | 121 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 145.6 | 175.4 | -66.3 | -175.5 | 25.9 | 0 | 0 | 110.7 | G268 | Q266-G268 PolarHBondContact O-N 2.95Š|
| 267 | P | 47.5 | Very low | 45.9 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 137.6 | 172.3 | -24.1 | 33.7 | 0 | 0 | 0 | 111.5 | | |
| 268 | G | 37.8 | Very low | 46.2 | Very low | 42 Ų | 42 | 122.8 Ų | 122.8 | 43% | 0.433 | 75% | 0.754 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 157.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q266 | Q266-G268 PolarHBondContact O-N 2.95Š|
| 269 | P | 46.8 | Very low | 46.4 | Very low | 131 Ų | 131 | 122.7 Ų | 122.7 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 145.6 | 179.3 | 26.2 | -34.1 | 0 | 0 | 0 | 111.4 | G271 | P269-G271 PolarHBondContact O-N 2.94Š|
| 270 | R | 43.8 | Very low | 46.7 | Very low | 243 Ų | 243 | 122.6 Ų | 122.6 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 127.3 | 173.8 | -175.7 | 177.2 | -178.1 | 164.8 | 1.4 | 109.2 | | |
| 271 | G | 35.7 | Very low | 46.8 | Very low | 47 Ų | 47 | 122.2 Ų | 122.2 | 49% | 0.485 | 75% | 0.745 | S | S | . | * | P | Polyproline II helix | trans | -54.6 | 142.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P269 | P269-G271 PolarHBondContact O-N 2.94Š|
| 272 | N | 46.2 | Very low | 46.8 | Very low | 162 Ų | 162 | 120.8 Ų | 120.8 | 87% | 0.866 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 144.6 | 178.1 | -71 | -30.8 | 0 | 0 | 0 | 110.8 | G274 | N272-G274 PolarHBondContact O-N 3.37Š|
| 273 | A | 48.6 | Very low | 46.8 | Very low | 99 Ų | 99 | 123.1 Ų | 123.1 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 136.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 274 | G | 39.4 | Very low | 46.8 | Very low | 49 Ų | 49 | 124.7 Ų | 124.7 | 51% | 0.505 | 75% | 0.753 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 154.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N272 | N272-G274 PolarHBondContact O-N 3.37Š|
| 275 | P | 56.3 | Low | 46.7 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 142.9 | 178.7 | 24.5 | -33.2 | 0 | 0 | 0 | 110.5 | G277 | P275-G277 PolarHBondContact O-N 3Š|
| 276 | K | 55.5 | Low | 47 | Very low | 203 Ų | 203 | 131.9 Ų | 131.9 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 129.9 | 171.1 | -92.4 | -178.8 | 176.3 | 177.1 | 0 | 108.4 | I278 | K276-I278 PolarHBondContact O-N 3.47Š|
| 277 | G | 46.3 | Very low | 47 | Very low | 53 Ų | 53 | 130.2 Ų | 130.2 | 55% | 0.546 | 76% | 0.755 | S | S | . | * | P | Polyproline II helix | trans | -51.8 | 133.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | P275 V279 | P275-G277 PolarHBondContact O-N 3Å; G277-V279 PolarHBondContact O-N 2.84Å |
| 278 | I | 53.1 | Low | 46.7 | Very low | 169 Ų | 169 | 127.7 Ų | 127.7 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 121.8 | -179.5 | -45.8 | 170.7 | 0 | 0 | 0 | 106.7 | K276 G280 | K276-I278 PolarHBondContact O-N 3.47Å; I278-G280 PolarHBondContact O-N 3.36Å; I278-G280 VanDerWaalsContact O-N 3.13Å |
| 279 | V | 51.7 | Low | 47.2 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | -68.9 | 112.1 | 171.6 | 177.9 | 0 | 0 | 0 | 0 | 106.5 | G277 K281 | G277-V279 PolarHBondContact O-N 2.84Å; V279-K281 PolarHBondContact O-N 2.86Å |
| 280 | G | 47.2 | Very low | 47.2 | Very low | 72 Ų | 72 | 135.5 Ų | 135.5 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | trans | -58.1 | 106.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | I278 | I278-G280 PolarHBondContact O-N 3.36Å; I278-G280 VanDerWaalsContact O-N 3.13Å |
| 281 | K | 52.8 | Low | 47 | Very low | 186 Ų | 186 | 126.4 Ų | 126.4 | 81% | 0.809 | 75% | 0.754 | S | S | * | * | | | trans | -68.8 | 141.5 | 161.3 | -75.9 | 179.2 | 173.3 | 178.7 | 0 | 106.6 | V279 | V279-K281 PolarHBondContact O-N 2.86Š|
| 282 | D | 49.1 | Very low | 47.4 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 88.3 | 79.4 | 172 | -44.5 | -31.4 | 0 | 0 | 0 | 114.5 | E284 | D282-E284 PolarHBondContact O-N 3.47Š|
| 283 | A | 41.8 | Very low | 47.2 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | | | trans | -0.5 | 102.3 | 140.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 284 | E | 49.4 | Very low | 46.5 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | | -165.8 | 107.1 | 115.3 | -154.4 | 102.1 | -144.1 | 0 | 0 | 107.5 | D282 | D282-E284 PolarHBondContact O-N 3.47Š|
| 285 | R | 46.3 | Very low | 46.1 | Very low | 210 Ų | 210 | 138 Ų | 138 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | | | trans | 36.8 | 104.8 | 156.9 | -101.5 | 177.9 | -74.8 | -103.6 | -6.5 | 117.9 | | |
| 286 | V | 44.5 | Very low | 45.3 | Very low | 124 Ų | 124 | 138 Ų | 138 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | S | Bend | | 145.4 | 110.1 | 123.7 | 173 | 0 | 0 | 0 | 0 | 111.1 | | |
| 287 | I | 46.8 | Very low | 44 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | | | trans | 54.4 | 95.2 | 161.3 | -53.1 | 164.2 | 0 | 0 | 0 | 115.7 | V289 | I287-V289 PolarHBondContact O-N 2.93Š|
| 288 | G | 41.5 | Very low | 43.4 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 124 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | K290 | G288-K290 PolarHBondContact O-N 3.4Å; G288-K290 VanDerWaalsContact O-N 3.15Å |
| 289 | V | 47.6 | Very low | 42.6 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 119 | -179.9 | -143.4 | 0 | 0 | 0 | 0 | 108 | I287 G291 | I287-V289 PolarHBondContact O-N 2.93Å; V289-G291 PolarHBondContact O-N 2.99Å; V289-G291 VanDerWaalsContact O-N 3.07Å |
| 290 | K | 48.4 | Very low | 41.5 | Very low | 197 Ų | 197 | 129.2 Ų | 129.2 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 119.1 | 174 | -178.6 | 175.7 | -178.3 | 176 | 0 | 107.1 | G288 E292 | G288-K290 PolarHBondContact O-N 3.4Å; G288-K290 VanDerWaalsContact O-N 3.15Å; K290-E292 PolarHBondContact O-N 2.92Å |
| 291 | G | 39 | Very low | 40.8 | Very low | 51 Ų | 51 | 133.5 Ų | 133.5 | 53% | 0.526 | 75% | 0.752 | S | S | . | * | P | Polyproline II helix | trans | -49.2 | 134 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | V289 K293 | V289-G291 PolarHBondContact O-N 2.99Å; V289-G291 VanDerWaalsContact O-N 3.07Å; G291-K293 PolarHBondContact O-N 2.95Å |
| 292 | E | 45.1 | Very low | 39.9 | Very low | 191 Ų | 191 | 133.5 Ų | 133.5 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 137.2 | -179.1 | -67.2 | -175.7 | 148.7 | 0 | 0 | 109.8 | K290 G294 | K290-E292 PolarHBondContact O-N 2.92Å; E292-G294 PolarHBondContact O-N 3.44Å; E292-G294 VanDerWaalsContact O-N 3.07Å |
| 293 | K | 41.7 | Very low | 38.9 | Very low | 196 Ų | 196 | 128.3 Ų | 128.3 | 85% | 0.852 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 121.1 | 175.6 | -173.8 | 179.7 | -179 | -177.1 | 0 | 106.8 | G291 I295 | G291-K293 PolarHBondContact O-N 2.95Å; K293-I295 PolarHBondContact O-N 2.99Å |
| 294 | G | 32.3 | Very low | 38.5 | Very low | 50 Ų | 50 | 129 Ų | 129 | 52% | 0.515 | 74% | 0.739 | S | S | . | * | P | Polyproline II helix | trans | -47.6 | 132.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110 | E292 T296 | E292-G294 PolarHBondContact O-N 3.44Å; E292-G294 VanDerWaalsContact O-N 3.07Å; G294-T296 PolarHBondContact O-N 3.28Å |
| 295 | I | 32.8 | Very low | 37.8 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 128.2 | 175.6 | 50.2 | 171.7 | 0 | 0 | 0 | 108.8 | K293 G297 | K293-I295 PolarHBondContact O-N 2.99Å; I295-G297 PolarHBondContact O-N 3Å; I295-G297 VanDerWaalsContact O-N 3.1Å |
| 296 | T | 38.4 | Very low | 37 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 122.4 | 167.5 | -55.4 | 0 | 0 | 0 | 0 | 106.1 | G294 A298 | G294-T296 PolarHBondContact O-N 3.28Å; T296-A298 PolarHBondContact O-N 3.47Å |
| 297 | G | 29.4 | Very low | 36.6 | Very low | 41 Ų | 41 | 126.5 Ų | 126.5 | 42% | 0.423 | 74% | 0.739 | S | S | . | * | P | Polyproline II helix | trans | -50.5 | 141.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | I295 Q299 | I295-G297 PolarHBondContact O-N 3Å; I295-G297 VanDerWaalsContact O-N 3.1Å; G297-Q299 PolarHBondContact O-N 3.1Å |
| 298 | A | 32.5 | Very low | 36.2 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 138.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | T296 G300 | T296-A298 PolarHBondContact O-N 3.47Å; A298-G300 PolarHBondContact O-N 3.11Å; A298-G300 VanDerWaalsContact O-N 3.1Å |
| 299 | Q | 36.1 | Very low | 35.8 | Very low | 187 Ų | 187 | 124.4 Ų | 124.4 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -50 | 123.5 | 170.5 | -178.1 | 175.7 | -56.1 | 0 | 0 | 107.1 | G297 D301 | G297-Q299 PolarHBondContact O-N 3.1Å; Q299-D301 PolarHBondContact O-N 3.38Å |
| 300 | G | 28.2 | Very low | 35.5 | Very low | 39 Ų | 39 | 127 Ų | 127 | 40% | 0.402 | 73% | 0.734 | S | S | . | * | P | Polyproline II helix | trans | -51.1 | 140 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A298 M302 | A298-G300 PolarHBondContact O-N 3.11Å; A298-G300 VanDerWaalsContact O-N 3.1Å; G300-M302 PolarHBondContact O-N 3.11Å |
| 301 | D | 32.9 | Very low | 34.9 | Very low | 162 Ų | 162 | 124.5 Ų | 124.5 | 87% | 0.866 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 135.2 | 177.6 | -68.4 | -41.8 | 0 | 0 | 0 | 109.2 | Q299 G303 | Q299-D301 PolarHBondContact O-N 3.38Å; D301-G303 PolarHBondContact O-N 3.4Å |
| 302 | M | 34.2 | Very low | 34.7 | Very low | 186 Ų | 186 | 126.1 Ų | 126.1 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 122 | 173.3 | -176.7 | 175.8 | 179.2 | 0 | 0 | 107.1 | G300 S304 | G300-M302 PolarHBondContact O-N 3.11Å; M302-S304 PolarHBondContact O-N 3.08Å |
| 303 | G | 28.5 | Very low | 34.3 | Very low | 45 Ų | 45 | 126.2 Ų | 126.2 | 46% | 0.464 | 74% | 0.735 | S | S | . | * | P | Polyproline II helix | trans | -46.1 | 132.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | D301 K305 | D301-G303 PolarHBondContact O-N 3.4Å; G303-K305 PolarHBondContact O-N 3.39Å; G303-K305 VanDerWaalsContact O-N 3.16Å |
| 304 | S | 34 | Very low | 34 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | | | trans | -43.8 | 128.1 | 178.2 | 51.2 | 0 | 0 | 0 | 0 | 108.7 | M302 G306 | M302-S304 PolarHBondContact O-N 3.08Å; S304-G306 PolarHBondContact O-N 3.28Å |
| 305 | K | 34.5 | Very low | 34.1 | Very low | 204 Ų | 204 | 123.8 Ų | 123.8 | 89% | 0.887 | 73% | 0.731 | S | S | * | * | | | trans | -44.2 | 119.9 | 173.2 | -172 | 175.7 | -176.5 | 178.2 | 0 | 106.6 | G303 H307 | G303-K305 PolarHBondContact O-N 3.39Å; G303-K305 VanDerWaalsContact O-N 3.16Å; K305-H307 PolarHBondContact O-N 2.98Å |
| 306 | G | 29 | Very low | 34.4 | Very low | 55 Ų | 55 | 122 Ų | 122 | 57% | 0.567 | 73% | 0.73 | S | S | * | * | | | trans | -46.7 | 138.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | S304 | S304-G306 PolarHBondContact O-N 3.28Š|
| 307 | H | 35.8 | Very low | 34.4 | Very low | 179 Ų | 179 | 121.9 Ų | 121.9 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | | | trans | -42.3 | 134.8 | 175.3 | -71.4 | -56 | 0 | 0 | 0 | 108.4 | K305 G309 | K305-H307 PolarHBondContact O-N 2.98Å; H307-G309 PolarHBondContact O-N 3.12Å |
| 308 | P | 39.4 | Very low | 34.6 | Very low | 111 Ų | 111 | 122 Ų | 122 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | | | trans | -42.8 | 121.8 | 169.7 | -25.5 | 33 | 0 | 0 | 0 | 106.3 | K310 | P308-K310 PolarHBondContact O-N 2.94Š|
| 309 | G | 32.9 | Very low | 34.9 | Very low | 68 Ų | 68 | 125 Ų | 125 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | | | trans | -46 | 122.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | H307 D311 | H307-G309 PolarHBondContact O-N 3.12Å; G309-D311 PolarHBondContact O-N 3.42Å |
| 310 | K | 39.4 | Very low | 35 | Very low | 197 Ų | 197 | 124.8 Ų | 124.8 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | | | trans | -30.5 | 115.3 | -175.1 | -65.2 | 174.2 | -179.1 | 175.1 | 0 | 105.8 | P308 A312 | P308-K310 PolarHBondContact O-N 2.94Å; K310-A312 VanDerWaalsContact C-N 3.33Å; K310-A312 WeakPolarHBondContact O-CA 3.21Å; K310-A312 PolarHBondContact O-N 2.73Å |
| 311 | D | 37.7 | Very low | 35.2 | Very low | 144 Ų | 144 | 124.6 Ų | 124.6 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | | | trans | -34.5 | 109.7 | -176.6 | -71.4 | -44.8 | 0 | 0 | 0 | 105 | G309 K313 | G309-D311 PolarHBondContact O-N 3.42Å; D311-K313 PolarHBondContact O-N 2.92Å |
| 312 | A | 34.5 | Very low | 35.4 | Very low | 84 Ų | 84 | 125.7 Ų | 125.7 | 69% | 0.694 | 73% | 0.732 | S | S | * | * | | | trans | -68 | 85.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 101.6 | K310 N314 G315 | K310-A312 VanDerWaalsContact C-N 3.33Å; K310-A312 WeakPolarHBondContact O-CA 3.21Å; K310-A312 PolarHBondContact O-N 2.73Å; A312-N314 VanDerWaalsContact C-N 3.3Å; A312-N314 WeakPolarHBondContact O-CA 3.35Å; A312-N314 PolarHBondContact O-N 3.29Å; A312-G315 PolarHBondContact O-N 3.01Å |
| 313 | K | 35.2 | Very low | 35.6 | Very low | 193 Ų | 193 | 125.3 Ų | 125.3 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.6 | 107.3 | 178.8 | -93 | -173.4 | 172.7 | -175 | 0 | 101.9 | D311 G315 | D311-K313 PolarHBondContact O-N 2.92Å; K313-G315 PolarHBondContact O-N 3.47Å; K313-G315 VanDerWaalsContact O-N 3.09Å |
| 314 | N | 36 | Very low | 35.8 | Very low | 147 Ų | 147 | 124.7 Ų | 124.7 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 4.5 | 92.7 | -168.8 | -61.3 | -13 | 0 | 0 | 0 | 109.9 | A312 | A312-N314 VanDerWaalsContact C-N 3.3Å; A312-N314 WeakPolarHBondContact O-CA 3.35Å; A312-N314 PolarHBondContact O-N 3.29Å |
| 315 | G | 34.3 | Very low | 35.9 | Very low | 48 Ų | 48 | 128 Ų | 128 | 50% | 0.495 | 72% | 0.724 | S | S | . | * | | | trans | -37.5 | 132.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108 | A312 K313 V317 | A312-G315 PolarHBondContact O-N 3.01Å; K313-G315 PolarHBondContact O-N 3.47Å; K313-G315 VanDerWaalsContact O-N 3.09Å; G315-V317 PolarHBondContact O-N 3.29Å; G315-V317 VanDerWaalsContact O-N 3.1Å |
| 316 | P | 39.2 | Very low | 36 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -38.7 | 123.4 | -157.2 | 18.3 | -33 | 0 | 0 | 0 | 108.6 | G318 | P316-G318 PolarHBondContact O-N 3.11Š|
| 317 | V | 38.8 | Very low | 36.1 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 80% | 0.8 | 71% | 0.711 | S | S | * | * | | | trans | -38.2 | 114.2 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 105.3 | G315 D319 | G315-V317 PolarHBondContact O-N 3.29Å; G315-V317 VanDerWaalsContact O-N 3.1Å; V317-D319 PolarHBondContact O-N 3.21Å |
| 318 | G | 34.3 | Very low | 36.1 | Very low | 44 Ų | 44 | 124.5 Ų | 124.5 | 45% | 0.454 | 71% | 0.712 | S | S | . | * | | | trans | -48 | 135.9 | -173 | 0 | 0 | 0 | 0 | 0 | 107.5 | P316 M320 | P316-G318 PolarHBondContact O-N 3.11Å; G318-M320 PolarHBondContact O-N 3.43Å |
| 319 | D | 37.5 | Very low | 35.9 | Very low | 161 Ų | 161 | 126.9 Ų | 126.9 | 86% | 0.861 | 71% | 0.713 | S | S | * | * | | | trans | -43 | 126 | -177.3 | -70.4 | -41.1 | 0 | 0 | 0 | 108.1 | V317 G321 | V317-D319 PolarHBondContact O-N 3.21Å; D319-G321 PolarHBondContact O-N 3Å |
| 320 | M | 38.5 | Very low | 35.9 | Very low | 182 Ų | 182 | 125.1 Ų | 125.1 | 90% | 0.897 | 70% | 0.695 | S | S | * | * | | | trans | -47.5 | 117.5 | 179.1 | 177 | 174.1 | 177 | 0 | 0 | 106.4 | G318 E322 | G318-M320 PolarHBondContact O-N 3.43Å; M320-E322 PolarHBondContact O-N 2.96Å |
| 321 | G | 33.2 | Very low | 35.8 | Very low | 35 Ų | 35 | 120.9 Ų | 120.9 | 36% | 0.361 | 69% | 0.688 | S | S | . | * | | | trans | -48.6 | 138.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | D319 Q323 | D319-G321 PolarHBondContact O-N 3Å; G321-Q323 PolarHBondContact O-N 2.95Å |
| 322 | E | 36.2 | Very low | 35.7 | Very low | 185 Ų | 185 | 120 Ų | 120 | 86% | 0.864 | 69% | 0.689 | S | S | * | * | | | trans | -45.9 | 131.6 | -178.3 | -67 | -175.4 | 140.7 | 0 | 0 | 109.5 | M320 G324 | M320-E322 PolarHBondContact O-N 2.96Å; E322-G324 PolarHBondContact O-N 2.9Å |
| 323 | Q | 38.1 | Very low | 35.6 | Very low | 178 Ų | 178 | 117.9 Ų | 117.9 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 119.9 | 175.8 | 178.5 | 177.6 | -32.8 | 0 | 0 | 107.3 | G321 E325 | G321-Q323 PolarHBondContact O-N 2.95Å; Q323-E325 PolarHBondContact O-N 3.49Å |
| 324 | G | 32.5 | Very low | 35.6 | Very low | 32 Ų | 32 | 113 Ų | 113 | 33% | 0.33 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -50.4 | 138.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | E322 E326 | E322-G324 PolarHBondContact O-N 2.9Å; G324-E326 PolarHBondContact O-N 3.03Å |
| 325 | E | 36.6 | Very low | 35.6 | Very low | 183 Ų | 183 | 112.4 Ų | 112.4 | 86% | 0.855 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -50 | 137.8 | -178.7 | -65.5 | -173.2 | 147.1 | 0 | 0 | 110.4 | Q323 G327 | Q323-E325 PolarHBondContact O-N 3.49Å; E325-G327 PolarHBondContact O-N 2.85Å |
| 326 | E | 37.6 | Very low | 35.6 | Very low | 164 Ų | 164 | 111.4 Ų | 111.4 | 77% | 0.766 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 125.2 | 174.2 | -172.3 | 172.2 | -172.4 | 0 | 0 | 108.5 | G324 L328 | G324-E326 PolarHBondContact O-N 3.03Å; E326-L328 PolarHBondContact O-N 3.48Å |
| 327 | G | 31 | Very low | 35.5 | Very low | 39 Ų | 39 | 110.7 Ų | 110.7 | 40% | 0.402 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 130.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110 | E325 Q329 | E325-G327 PolarHBondContact O-N 2.85Å; G327-Q329 PolarHBondContact O-N 2.93Å |
| 328 | L | 34.8 | Very low | 35.4 | Very low | 162 Ų | 162 | 110.1 Ų | 110.1 | 85% | 0.848 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -52 | 135.7 | 179.1 | -65.8 | 173.2 | 0 | 0 | 0 | 110.5 | E326 G330 | E326-L328 PolarHBondContact O-N 3.48Å; L328-G330 PolarHBondContact O-N 2.94Å |
| 329 | Q | 36.3 | Very low | 35.3 | Very low | 162 Ų | 162 | 110.4 Ų | 110.4 | 76% | 0.757 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 128.1 | 171.7 | -172 | 178.5 | 52.4 | 0 | 0 | 108.7 | G327 | G327-Q329 PolarHBondContact O-N 2.93Š|
| 330 | G | 32.2 | Very low | 35.2 | Very low | 30 Ų | 30 | 107.3 Ų | 107.3 | 31% | 0.309 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 150.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L328 | L328-G330 PolarHBondContact O-N 2.94Š|
| 331 | P | 36.3 | Very low | 35.2 | Very low | 109 Ų | 109 | 106.2 Ų | 106.2 | 71% | 0.708 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -57 | 148.6 | 178.1 | 25.2 | -33.9 | 0 | 0 | 0 | 110.6 | G333 | P331-G333 PolarHBondContact O-N 3.38Š|
| 332 | P | 37.2 | Very low | 35.1 | Very low | 124 Ų | 124 | 106.9 Ų | 106.9 | 81% | 0.805 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 139.3 | 171.2 | -26.5 | 34.4 | 0 | 0 | 0 | 110.9 | | |
| 333 | G | 31.5 | Very low | 35.2 | Very low | 40 Ų | 40 | 104.3 Ų | 104.3 | 41% | 0.412 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 143.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P331 M335 | P331-G333 PolarHBondContact O-N 3.38Å; G333-M335 PolarHBondContact O-N 3.34Å |
| 334 | A | 35.7 | Very low | 35.1 | Very low | 91 Ų | 91 | 105.1 Ų | 105.1 | 75% | 0.752 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 137 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110 | G336 | A334-G336 PolarHBondContact O-N 3.38Š|
| 335 | M | 36.1 | Very low | 35 | Very low | 135 Ų | 135 | 106.6 Ų | 106.6 | 67% | 0.665 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 130.7 | 173.1 | -173.5 | 169.6 | 67.3 | 0 | 0 | 108.8 | P193 G333 | P193-M335 HydrophobicContact CG-SD 4.17Å; G333-M335 PolarHBondContact O-N 3.34Å |
| 336 | G | 33.1 | Very low | 34.9 | Very low | 26 Ų | 26 | 100.8 Ų | 100.8 | 27% | 0.268 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 154.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A334 V338 | A334-G336 PolarHBondContact O-N 3.38Å; G336-V338 PolarHBondContact O-N 2.98Å |
| 337 | P | 37.5 | Very low | 34.8 | Very low | 110 Ų | 110 | 99.1 Ų | 99.1 | 71% | 0.714 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 141.9 | 176.9 | 25.4 | -33.8 | 0 | 0 | 0 | 110.3 | G339 | P337-G339 PolarHBondContact O-N 3.24Š|
| 338 | V | 37.7 | Very low | 34.9 | Very low | 121 Ų | 121 | 99.8 Ų | 99.8 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 128 | 171.2 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | G336 | G336-V338 PolarHBondContact O-N 2.98Š|
| 339 | G | 31.7 | Very low | 34.9 | Very low | 49 Ų | 49 | 98.1 Ų | 98.1 | 51% | 0.505 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -52.3 | 141.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P337 M341 | P337-G339 PolarHBondContact O-N 3.24Å; G339-M341 PolarHBondContact O-N 3.16Å |
| 340 | A | 36.2 | Very low | 34.9 | Very low | 97 Ų | 97 | 97 Ų | 97 | 80% | 0.802 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 137.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | G342 | A340-G342 PolarHBondContact O-N 3.46Š|
| 341 | M | 36.6 | Very low | 35 | Very low | 159 Ų | 159 | 99.7 Ų | 99.7 | 78% | 0.783 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 128.7 | 173.6 | -174 | 165.5 | 63.2 | 0 | 0 | 108.9 | G339 | G339-M341 PolarHBondContact O-N 3.16Š|
| 342 | G | 33 | Very low | 34.8 | Very low | 49 Ų | 49 | 102.7 Ų | 102.7 | 51% | 0.505 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 154.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A340 R344 | A340-G342 PolarHBondContact O-N 3.46Å; G342-R344 PolarHBondContact O-N 3.05Å |
| 343 | P | 36.4 | Very low | 34.6 | Very low | 130 Ų | 130 | 106.9 Ų | 106.9 | 84% | 0.844 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 142.5 | 178.2 | 24.3 | -33.3 | 0 | 0 | 0 | 110.6 | G345 | P343-G345 PolarHBondContact O-N 3.41Š|
| 344 | R | 36.2 | Very low | 34.7 | Very low | 195 Ų | 195 | 110 Ų | 110 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 128.4 | 172.7 | -175.5 | 178.8 | -177.8 | 167 | 4.1 | 108 | R202 G342 G346 | R202-R344 PolarHBondContact O-NH2 3.31Å; G342-R344 PolarHBondContact O-N 3.05Å; R344-G346 PolarHBondContact O-N 3.1Å |
| 345 | G | 31.1 | Very low | 35.1 | Very low | 64 Ų | 64 | 110.8 Ų | 110.8 | 66% | 0.66 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 133.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | P343 | P343-G345 PolarHBondContact O-N 3.41Š|
| 346 | G | 33.9 | Very low | 35 | Very low | 61 Ų | 61 | 109.3 Ų | 109.3 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 158.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R344 G348 | R344-G346 PolarHBondContact O-N 3.1Å; G346-G348 PolarHBondContact O-N 3.32Å |
| 347 | P | 35.9 | Very low | 35.5 | Very low | 128 Ų | 128 | 114 Ų | 114 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 134.6 | 169.7 | -24.4 | 33.6 | 0 | 0 | 0 | 109.9 | | |
| 348 | G | 33.9 | Very low | 35.7 | Very low | 53 Ų | 53 | 112.9 Ų | 112.9 | 55% | 0.546 | 72% | 0.72 | S | S | . | * | P | Polyproline II helix | trans | -54.6 | 156.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | G346 D350 | G346-G348 PolarHBondContact O-N 3.32Å; G348-D350 PolarHBondContact O-N 3.43Å; G348-D350 VanDerWaalsContact O-N 3.13Å |
| 349 | P | 35.4 | Very low | 35.9 | Very low | 128 Ų | 128 | 118.5 Ų | 118.5 | 83% | 0.831 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 127.4 | 178.8 | 22.8 | -32.6 | 0 | 0 | 0 | 108.6 | A351 | P349-A351 PolarHBondContact O-N 3.38Š|
| 350 | D | 35.8 | Very low | 36.5 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | | | trans | -44.4 | 123.5 | 176.7 | -66.7 | -46 | 0 | 0 | 0 | 107.3 | G348 H352 | G348-D350 PolarHBondContact O-N 3.43Å; G348-D350 VanDerWaalsContact O-N 3.13Å; D350-H352 PolarHBondContact O-N 3.43Å |
| 351 | A | 34 | Very low | 36.9 | Very low | 87 Ų | 87 | 120.2 Ų | 120.2 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | | | trans | -59 | 92.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | P349 Y353 | P349-A351 PolarHBondContact O-N 3.38Å; A351-Y353 VanDerWaalsContact C-N 3.26Å; A351-Y353 PolarHBondContact O-N 3.26Å |
| 352 | H | 32.6 | Very low | 37.2 | Very low | 172 Ų | 172 | 123.1 Ų | 123.1 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | | | trans | -59.9 | 101.8 | 173.8 | -92.3 | -69.4 | 0 | 0 | 0 | 105.1 | D350 C354 | D350-H352 PolarHBondContact O-N 3.43Å; H352-C354 PolarHBondContact O-N 3.1Å |
| 353 | Y | 33.1 | Very low | 37.6 | Very low | 212 Ų | 212 | 125.2 Ų | 125.2 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | | | trans | 3.7 | 88.9 | 159.6 | -154.2 | -92.9 | 0 | 0 | 0 | 111.5 | A351 P355 | A351-Y353 VanDerWaalsContact C-N 3.26Å; A351-Y353 PolarHBondContact O-N 3.26Å; Y353-P355 WeakPolarHBondContact O-CD 3.42Å; Y353-P355 VanDerWaalsContact O-N 3.15Å |
| 354 | C | 32.9 | Very low | 38.1 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | | | trans | -65.2 | 114.2 | 165 | -90.8 | 0 | 0 | 0 | 0 | 105.6 | H352 C356 | H352-C354 PolarHBondContact O-N 3.1Å; C354-C356 PolarHBondContact O-N 3.27Å |
| 355 | P | 43.3 | Very low | 38.5 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | trans | -69.4 | 88.3 | 161 | 31.3 | -27 | 0 | 0 | 0 | 104.5 | Y353 P357 | Y353-P355 WeakPolarHBondContact O-CD 3.42Å; Y353-P355 VanDerWaalsContact O-N 3.15Å; P355-P357 VanDerWaalsContact O-CD 3.3Å; P355-P357 WeakPolarHBondContact O-CD 3.38Å; P355-P357 VanDerWaalsContact O-N 3.12Å |
| 356 | C | 34.3 | Very low | 39.4 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | | | trans | -50.4 | 124.8 | 160.2 | -99.4 | 0 | 0 | 0 | 0 | 105.1 | C354 A358 | C354-C356 PolarHBondContact O-N 3.27Å; C356-A358 PolarHBondContact O-N 3.35Å |
| 357 | P | 43.6 | Very low | 40.2 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | | | trans | -64.6 | 86.6 | 163.4 | 26.9 | -29.8 | 0 | 0 | 0 | 104.8 | P355 R359 | P355-P357 VanDerWaalsContact O-CD 3.3Å; P355-P357 WeakPolarHBondContact O-CD 3.38Å; P355-P357 VanDerWaalsContact O-N 3.12Å; P357-R359 PolarHBondContact O-N 3.29Å |
| 358 | A | 41.5 | Very low | 40.7 | Very low | 85 Ų | 85 | 133 Ų | 133 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | | | trans | -49.8 | 114.8 | 167 | 0 | 0 | 0 | 0 | 0 | 103.9 | C356 S360 | C356-A358 PolarHBondContact O-N 3.35Å; A358-S360 VanDerWaalsContact C-N 3.33Å; A358-S360 PolarHBondContact O-N 3.41Å |
| 359 | R | 43.4 | Very low | 41.4 | Very low | 239 Ų | 239 | 138.9 Ų | 138.9 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | | | trans | -34.2 | 98.6 | 179.3 | -71.4 | 174.3 | 177.6 | -167.2 | -1.2 | 108.9 | P357 G361 | P357-R359 PolarHBondContact O-N 3.29Å; R359-G361 PolarHBondContact O-N 3.07Å |
| 360 | S | 44.3 | Very low | 41.6 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | -75.7 | 36.4 | 157.6 | 71.5 | 0 | 0 | 0 | 0 | 108.7 | A358 R362 | A358-S360 VanDerWaalsContact C-N 3.33Å; A358-S360 PolarHBondContact O-N 3.41Å; S360-R362 PolarHBondContact O-N 3.24Å |
| 361 | G | 42.8 | Very low | 42 | Very low | 62 Ų | 62 | 150.8 Ų | 150.8 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | | | trans | -73.1 | 75.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 106 | R359 A363 | R359-G361 PolarHBondContact O-N 3.07Å; G361-A363 PolarHBondContact O-N 2.97Å |
| 362 | R | 42.8 | Very low | 42.4 | Very low | 220 Ų | 220 | 154 Ų | 154 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | | | trans | -55.4 | 92.9 | 155 | -174.4 | -177.4 | -84.1 | -169.7 | -3.8 | 103.9 | S360 K364 | S360-R362 PolarHBondContact O-N 3.24Å; R362-K364 PolarHBondContact O-N 3.07Å |
| 363 | A | 43.3 | Very low | 42.9 | Very low | 93 Ų | 93 | 153 Ų | 153 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | -55.4 | 94.1 | 165 | 0 | 0 | 0 | 0 | 0 | 104.6 | G361 A365 | G361-A363 PolarHBondContact O-N 2.97Å; A363-A365 PolarHBondContact O-N 3.13Å |
| 364 | K | 45.4 | Very low | 43.4 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | | | trans | -63.6 | 90.6 | 163.5 | -76.8 | -176.1 | 177.3 | -179.7 | 0 | 103.6 | R362 K366 | R362-K364 PolarHBondContact O-N 3.07Å; K364-K366 PolarHBondContact O-N 3.15Å |
| 365 | A | 45.7 | Very low | 44.1 | Very low | 91 Ų | 91 | 152.4 Ų | 152.4 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | | | trans | -55.9 | 89.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | A363 T367 | A363-A365 PolarHBondContact O-N 3.13Å; A365-T367 PolarHBondContact O-N 3.32Å |
| 366 | K | 49.9 | Very low | 44.1 | Very low | 190 Ų | 190 | 155.1 Ų | 155.1 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | | | trans | -67.7 | 95 | 164 | -89.9 | -175.8 | 173.7 | -177.9 | 0 | 105 | K364 I368 | K364-K366 PolarHBondContact O-N 3.15Å; K366-I368 PolarHBondContact O-N 3.25Å |
| 367 | T | 49.3 | Very low | 44.8 | Very low | 112 Ų | 112 | 158.5 Ų | 158.5 | 69% | 0.687 | 83% | 0.825 | S | S | * | * | | | trans | -49.3 | 108.8 | 161.7 | -57.8 | 0 | 0 | 0 | 0 | 108 | A365 K369 | A365-T367 PolarHBondContact O-N 3.32Å; T367-K369 HydrophobicContact CG2-CB 4.18Å; T367-K369 HydrophobicContact CG2-CD 4.32Å; T367-K369 HydrophobicContact CG2-CG 4.16Å; T367-K369 PolarHBondContact O-N 3.33Å; T367-K369 VanDerWaalsContact O-N 3.12Å |
| 368 | I | 48 | Very low | 44.8 | Very low | 170 Ų | 170 | 160.9 Ų | 160.9 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | | | trans | -66.7 | 102.6 | 162.3 | -65.6 | 170.5 | 0 | 0 | 0 | 105.5 | K366 | K366-I368 PolarHBondContact O-N 3.25Š|
| 369 | K | 48.4 | Very low | 45.1 | Very low | 177 Ų | 177 | 166.7 Ų | 166.7 | 77% | 0.77 | 84% | 0.835 | S | S | * | * | | | trans | -134.3 | 106.5 | 166.5 | -109.8 | -176.1 | 178.3 | 178.5 | 0 | 108.3 | T367 | T367-K369 HydrophobicContact CG2-CB 4.18Å; T367-K369 HydrophobicContact CG2-CD 4.32Å; T367-K369 HydrophobicContact CG2-CG 4.16Å; T367-K369 PolarHBondContact O-N 3.33Å; T367-K369 VanDerWaalsContact O-N 3.12Å |
| 370 | R | 39.4 | Very low | 45.2 | Very low | 239 Ų | 239 | 160.7 Ų | 160.7 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | | | trans | 48.5 | 111.1 | 147.5 | -69.5 | -179 | 164.4 | -166.1 | -5.6 | 118.8 | | |
| 371 | Q | 43.4 | Very low | 45.3 | Very low | 275 Ų | 275 | 164.3 Ų | 164.3 | 100% | 1.285 | 83% | 0.828 | S | S | * | * | | | | -138.1 | 0 | 112.5 | -90.7 | -172 | -4.8 | 0 | 0 | 108.8 | | |