| 1 | M | 96 | Very high | 95.9 | Very high | 28 Ų | 28 | 74.4 Ų | 74.4 | 14% | 0.138 | 37% | 0.366 | C | S | . | . | | | | 0 | -122.2 | 0 | -53.1 | -159.7 | 93.2 | 0 | 0 | 109.1 | G5 F6 L8 A11 L32 Y35 E36 L39 | M1-G5 CarbonylContact O-C 3.21Å; M1-G5 WeakPolarHBondContact O-CA 3.48Å; M1-G5 PolarHBondContact O-N 3.44Å; M1-F6 WeakPolarHBondContact CA-O 3.48Å; M1-F6 PolarHBondContact N-O 3.08Å; M1-L8 HydrophobicContact CE-CB 4.05Å; M1-L8 HydrophobicContact CE-CD1 4.25Å; M1-L8 HydrophobicContact SD-CD1 4.14Å; M1-A11 HydrophobicContact CG-CB 3.67Å; M1-L32 HydrophobicContact SD-CD2 4.08Å; M1-Y35 HydrophobicContact CB-CE1 4.41Å; M1-Y35 HydrophobicContact CE-CD1 4.26Å; M1-Y35 HydrophobicContact SD-CD1 4.24Å; M1-E36 HydrophobicContact CE-CB 3.66Å; M1-E36 HydrophobicContact CE-CG 4.31Å; M1-L39 HydrophobicContact CB-CD1 3.99Å |
| 2 | K | 95.6 | Very high | 95.9 | Very high | 113 Ų | 113 | 70.8 Ų | 70.8 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -68.4 | -169.1 | -175.7 | 177.4 | 165.8 | -72.7 | 0 | 114.8 | L39 | K2-L39 HydrophobicContact CB-CD1 4.39Å; K2-L39 HydrophobicContact CB-CD2 4.1Å; K2-L39 HydrophobicContact CG-CD2 4.24Å |
| 3 | E | 95 | Very high | 95.9 | Very high | 148 Ų | 148 | 72.4 Ų | 72.4 | 69% | 0.692 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -43 | -169.2 | -45 | -46.9 | 141.5 | 0 | 0 | 113.1 | | |
| 4 | Y | 94.9 | Very high | 95.9 | Very high | 162 Ų | 162 | 73.9 Ų | 73.9 | 64% | 0.635 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 2.8 | -178.6 | -64.5 | -75.9 | 0 | 0 | 0 | 114.7 | F6 | Y4-F6 HydrophobicContact CD1-CE2 4.43Å; Y4-F6 HydrophobicContact CD1-CZ 4.39Å; Y4-F6 HydrophobicContact CD2-CE2 4.41Å; Y4-F6 HydrophobicContact CG-CD2 4.36Å; Y4-F6 AromaticContact CG-CE2 3.91Å; Y4-F6 HydrophobicContact CG-CE2 3.91Å; Y4-F6 HydrophobicContact CG-CZ 4.23Å; Y4-F6 WeakPolarHBondContact O-CD1 3.46Å; Y4-F6 PolarHBondContact O-N 3.32Å |
| 5 | G | 94.9 | Very high | 95.9 | Very high | 34 Ų | 34 | 73.1 Ų | 73.1 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | | | trans | 72.5 | -31 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | M1 R43 | M1-G5 CarbonylContact O-C 3.21Å; M1-G5 WeakPolarHBondContact O-CA 3.48Å; M1-G5 PolarHBondContact O-N 3.44Å; G5-R43 PolarHBondContact O-NH2 3.4Å |
| 6 | F | 96.2 | Very high | 95.9 | Very high | 54 Ų | 54 | 74.1 Ų | 74.1 | 24% | 0.237 | 36% | 0.363 | C | S | . | . | | | trans | -44.4 | 140.7 | -168.6 | -51.5 | -34.6 | 0 | 0 | 0 | 115.4 | M1 Y4 E10 A11 | M1-F6 WeakPolarHBondContact CA-O 3.48Å; M1-F6 PolarHBondContact N-O 3.08Å; Y4-F6 HydrophobicContact CD1-CE2 4.43Å; Y4-F6 HydrophobicContact CD1-CZ 4.39Å; Y4-F6 HydrophobicContact CD2-CE2 4.41Å; Y4-F6 HydrophobicContact CG-CD2 4.36Å; Y4-F6 AromaticContact CG-CE2 3.91Å; Y4-F6 HydrophobicContact CG-CE2 3.91Å; Y4-F6 HydrophobicContact CG-CZ 4.23Å; Y4-F6 WeakPolarHBondContact O-CD1 3.46Å; Y4-F6 PolarHBondContact O-N 3.32Å; F6-E10 HydrophobicContact CB-CB 4.13Å; F6-E10 HydrophobicContact CB-CG 4.02Å; F6-E10 WeakPolarHBondContact CB-OE2 3.29Å; F6-E10 HydrophobicContact CD1-CG 4.12Å; F6-E10 WeakPolarHBondContact CD1-OE2 3.4Å; F6-E10 HydrophobicContact CD2-CG 4.33Å; F6-E10 HydrophobicContact CG-CG 3.94Å; F6-A11 HydrophobicContact CB-CB 4.27Å |
| 7 | P | 95.8 | Very high | 95.9 | Very high | 59 Ų | 59 | 77.8 Ų | 77.8 | 38% | 0.383 | 38% | 0.379 | S | S | . | . | | | trans | -62.1 | 173.7 | 164.6 | 30.1 | -36.3 | 0 | 0 | 0 | 112 | E10 A11 E36 | P7-E10 WeakPolarHBondContact CD-OE2 3.41Å; P7-E10 HydrophobicContact CG-CB 4Å; P7-A11 VanDerWaalsContact O-CB 3.23Å; P7-A11 WeakPolarHBondContact O-CB 3.35Å; P7-A11 PolarHBondContact O-N 3.25Å; P7-E36 WeakPolarHBondContact CA-OE1 3.48Å; P7-E36 WeakPolarHBondContact CB-OE1 3.35Å |
| 8 | L | 96.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.1 | -46.6 | -177.2 | 176.5 | 53 | 0 | 0 | 0 | 112.5 | M1 A11 L12 M29 L32 K33 E36 | M1-L8 HydrophobicContact CE-CB 4.05Å; M1-L8 HydrophobicContact CE-CD1 4.25Å; M1-L8 HydrophobicContact SD-CD1 4.14Å; L8-A11 PolarHBondContact O-N 3.38Å; L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 PolarHBondContact O-N 3.22Å; L8-M29 HydrophobicContact CD1-CE 4.14Å; L8-M29 HydrophobicContact CD2-CE 4.03Å; L8-M29 HydrophobicContact CG-CE 4.18Å; L8-L32 HydrophobicContact CD1-CB 3.6Å; L8-L32 HydrophobicContact CD1-CD1 3.79Å; L8-L32 HydrophobicContact CD1-CG 4.28Å; L8-L32 HydrophobicContact CD2-CB 4.16Å; L8-K33 HydrophobicContact CD2-CB 4.38Å; L8-K33 HydrophobicContact CD2-CD 4.39Å; L8-K33 HydrophobicContact CD2-CG 3.36Å; L8-E36 WeakPolarHBondContact CB-OE2 3.42Å; L8-E36 PolarHBondContact N-OE1 3.15Å |
| 9 | E | 96 | Very high | 95.8 | Very high | 104 Ų | 104 | 84.9 Ų | 84.9 | 49% | 0.486 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | -177.1 | -71.7 | 64.7 | -146 | 0 | 0 | 111.6 | L12 N13 | E9-L12 PolarHBondContact O-N 2.87Å; E9-N13 WeakPolarHBondContact O-CB 3.4Å; E9-N13 PolarHBondContact O-N 3.14Å; E9-N13 PolarHBondContact O-ND2 3.11Å |
| 10 | E | 96.8 | Very high | 95.6 | Very high | 95 Ų | 95 | 88.4 Ų | 88.4 | 44% | 0.444 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 176.5 | -179.5 | 177.1 | -152.7 | 0 | 0 | 111.3 | F6 P7 L12 N13 Y14 | F6-E10 HydrophobicContact CB-CB 4.13Å; F6-E10 HydrophobicContact CB-CG 4.02Å; F6-E10 WeakPolarHBondContact CB-OE2 3.29Å; F6-E10 HydrophobicContact CD1-CG 4.12Å; F6-E10 WeakPolarHBondContact CD1-OE2 3.4Å; F6-E10 HydrophobicContact CD2-CG 4.33Å; F6-E10 HydrophobicContact CG-CG 3.94Å; P7-E10 WeakPolarHBondContact CD-OE2 3.41Å; P7-E10 HydrophobicContact CG-CB 4Å; E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 3.34Å; E10-N13 PolarHBondContact O-N 2.79Å; E10-Y14 WeakPolarHBondContact O-CB 3.22Å; E10-Y14 PolarHBondContact O-N 3.36Å |
| 11 | A | 96.8 | Very high | 95.5 | Very high | 18 Ų | 18 | 88.8 Ų | 88.8 | 15% | 0.149 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1 F6 P7 L8 V15 | M1-A11 HydrophobicContact CG-CB 3.67Å; F6-A11 HydrophobicContact CB-CB 4.27Å; P7-A11 VanDerWaalsContact O-CB 3.23Å; P7-A11 WeakPolarHBondContact O-CB 3.35Å; P7-A11 PolarHBondContact O-N 3.25Å; L8-A11 PolarHBondContact O-N 3.38Å; A11-V15 WeakPolarHBondContact O-CG2 3.3Å; A11-V15 PolarHBondContact O-N 3.08Å; A11-V15 VanDerWaalsContact O-N 3.16Å |
| 12 | L | 95.8 | Very high | 95.3 | Very high | 32 Ų | 32 | 89.7 Ų | 89.7 | 17% | 0.168 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 175.6 | -177.6 | 68.7 | 0 | 0 | 0 | 111.2 | L8 E9 E10 V15 K16 I22 P24 M29 | L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 PolarHBondContact O-N 3.22Å; E9-L12 PolarHBondContact O-N 2.87Å; E10-L12 VanDerWaalsContact C-N 3.32Å; E10-L12 PolarHBondContact O-N 3.34Å; L12-V15 PolarHBondContact O-N 2.93Å; L12-K16 WeakPolarHBondContact O-CG 3.49Å; L12-K16 PolarHBondContact O-N 3.24Å; L12-I22 HydrophobicContact CD1-CD1 3.69Å; L12-P24 HydrophobicContact CD1-CG 4.1Å; L12-M29 HydrophobicContact CD1-SD 4.38Å; L12-M29 HydrophobicContact CD2-CE 3.94Å; L12-M29 HydrophobicContact CD2-SD 4.32Å |
| 13 | N | 96 | Very high | 95.2 | Very high | 91 Ų | 91 | 90.7 Ų | 90.7 | 49% | 0.487 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 178.6 | -71.2 | -17.6 | 0 | 0 | 0 | 111.9 | E9 E10 V15 K16 E17 | E9-N13 WeakPolarHBondContact O-CB 3.4Å; E9-N13 PolarHBondContact O-N 3.14Å; E9-N13 PolarHBondContact O-ND2 3.11Å; E10-N13 PolarHBondContact O-N 2.79Å; N13-V15 VanDerWaalsContact C-N 3.32Å; N13-V15 PolarHBondContact O-N 3.45Å; N13-K16 WeakPolarHBondContact O-CB 3.49Å; N13-K16 PolarHBondContact O-N 3.33Å; N13-E17 PolarHBondContact O-N 2.85Å |
| 14 | Y | 96.4 | Very high | 95.1 | Very high | 93 Ų | 93 | 86 Ų | 86 | 37% | 0.365 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.9 | -42.6 | 172.5 | -179.2 | -103 | 0 | 0 | 0 | 112 | E10 E17 K18 | E10-Y14 WeakPolarHBondContact O-CB 3.22Å; E10-Y14 PolarHBondContact O-N 3.36Å; Y14-E17 PolarHBondContact O-N 2.95Å; Y14-K18 HydrophobicContact CE1-CG 4.49Å; Y14-K18 VanDerWaalsContact CE2-CE 3.48Å; Y14-K18 WeakPolarHBondContact O-CG 3.37Å; Y14-K18 PolarHBondContact O-N 3.12Å |
| 15 | V | 96 | Very high | 95.2 | Very high | 62 Ų | 62 | 84 Ų | 84 | 38% | 0.376 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.6 | -37.7 | 176.2 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | A11 L12 N13 E17 K18 R19 I22 | A11-V15 WeakPolarHBondContact O-CG2 3.3Å; A11-V15 PolarHBondContact O-N 3.08Å; A11-V15 VanDerWaalsContact O-N 3.16Å; L12-V15 PolarHBondContact O-N 2.93Å; N13-V15 VanDerWaalsContact C-N 3.32Å; N13-V15 PolarHBondContact O-N 3.45Å; V15-E17 VanDerWaalsContact C-N 3.34Å; V15-E17 PolarHBondContact O-N 3.43Å; V15-K18 PolarHBondContact O-N 2.89Å; V15-R19 WeakPolarHBondContact O-CA 3.44Å; V15-R19 PolarHBondContact O-N 3.35Å; V15-I22 HydrophobicContact CB-CD1 3.98Å; V15-I22 HydrophobicContact CG1-CD1 3.61Å; V15-I22 HydrophobicContact CG1-CG1 4.06Å; V15-I22 HydrophobicContact CG1-CG2 4.06Å |
| 16 | K | 95.5 | Very high | 95.3 | Very high | 90 Ų | 90 | 91.4 Ų | 91.4 | 39% | 0.391 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 173.2 | -74.8 | 173.1 | -178.4 | 168.7 | 0 | 112.3 | L12 N13 R19 N20 I22 | L12-K16 WeakPolarHBondContact O-CG 3.49Å; L12-K16 PolarHBondContact O-N 3.24Å; N13-K16 WeakPolarHBondContact O-CB 3.49Å; N13-K16 PolarHBondContact O-N 3.33Å; K16-R19 CarbonylContact O-C 3.13Å; K16-R19 PolarHBondContact O-N 3.28Å; K16-N20 VanDerWaalsContact O-CA 3.29Å; K16-N20 WeakPolarHBondContact O-CA 3.48Å; K16-N20 PolarHBondContact O-N 3.13Å; K16-I22 HydrophobicContact CG-CD1 3.79Å; K16-I22 HydrophobicContact CG-CG1 3.83Å |
| 17 | E | 95.9 | Very high | 95.3 | Very high | 136 Ų | 136 | 90.2 Ų | 90.2 | 64% | 0.636 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 177.8 | -166.6 | -144 | 121.8 | 0 | 0 | 111.3 | N13 Y14 V15 | N13-E17 PolarHBondContact O-N 2.85Å; Y14-E17 PolarHBondContact O-N 2.95Å; V15-E17 VanDerWaalsContact C-N 3.34Å; V15-E17 PolarHBondContact O-N 3.43Å |
| 18 | K | 95.5 | Very high | 95.4 | Very high | 119 Ų | 119 | 92.6 Ų | 92.6 | 52% | 0.517 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -78 | -22.5 | 177.6 | -52.5 | -46.7 | 177.5 | -165.5 | 0 | 113.6 | Y14 V15 | Y14-K18 HydrophobicContact CE1-CG 4.49Å; Y14-K18 VanDerWaalsContact CE2-CE 3.48Å; Y14-K18 WeakPolarHBondContact O-CG 3.37Å; Y14-K18 PolarHBondContact O-N 3.12Å; V15-K18 PolarHBondContact O-N 2.89Å |
| 19 | R | 95 | Very high | 95.4 | Very high | 172 Ų | 172 | 94.3 Ų | 94.3 | 65% | 0.649 | 47% | 0.47 | S | S | * | . | | | trans | -149.1 | 87.5 | -177.6 | -64.1 | -175.6 | -176.3 | 158.8 | 2 | 110.7 | V15 K16 C21 I22 | V15-R19 WeakPolarHBondContact O-CA 3.44Å; V15-R19 PolarHBondContact O-N 3.35Å; K16-R19 CarbonylContact O-C 3.13Å; K16-R19 PolarHBondContact O-N 3.28Å; R19-C21 PolarHBondContact O-N 3.16Å; R19-I22 HydrophobicContact CB-CG2 4.03Å; R19-I22 WeakPolarHBondContact O-CG1 3.47Å; R19-I22 PolarHBondContact O-N 3.38Å |
| 20 | N | 91.5 | Very high | 95.5 | Very high | 155 Ų | 155 | 93.5 Ų | 93.5 | 83% | 0.829 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -16.8 | -178.9 | 63.8 | -7.7 | 0 | 0 | 0 | 115 | K16 | K16-N20 VanDerWaalsContact O-CA 3.29Å; K16-N20 WeakPolarHBondContact O-CA 3.48Å; K16-N20 PolarHBondContact O-N 3.13Å |
| 21 | C | 92.8 | Very high | 95.5 | Very high | 96 Ų | 96 | 94.1 Ų | 94.1 | 65% | 0.649 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 2.5 | -179.2 | 60.8 | 0 | 0 | 0 | 0 | 115.8 | R19 T23 | R19-C21 PolarHBondContact O-N 3.16Å; C21-T23 PolarHBondContact O-N 3.37Å |
| 22 | I | 91.8 | Very high | 95.6 | Very high | 47 Ų | 47 | 95 Ų | 95 | 24% | 0.241 | 47% | 0.471 | C | S | . | . | | | trans | -78.4 | 111.9 | -174.7 | 60.3 | 133.8 | 0 | 0 | 0 | 114.2 | L12 V15 K16 R19 P24 | L12-I22 HydrophobicContact CD1-CD1 3.69Å; V15-I22 HydrophobicContact CB-CD1 3.98Å; V15-I22 HydrophobicContact CG1-CD1 3.61Å; V15-I22 HydrophobicContact CG1-CG1 4.06Å; V15-I22 HydrophobicContact CG1-CG2 4.06Å; K16-I22 HydrophobicContact CG-CD1 3.79Å; K16-I22 HydrophobicContact CG-CG1 3.83Å; R19-I22 HydrophobicContact CB-CG2 4.03Å; R19-I22 WeakPolarHBondContact O-CG1 3.47Å; R19-I22 PolarHBondContact O-N 3.38Å; I22-P24 WeakPolarHBondContact O-CD 3.49Å |
| 23 | T | 93.6 | Very high | 95.7 | Very high | 135 Ų | 135 | 99 Ų | 99 | 83% | 0.828 | 49% | 0.487 | S | S | * | . | | | trans | -116.7 | 78.9 | 177.4 | 44.5 | 0 | 0 | 0 | 0 | 111.2 | C21 N25 | C21-T23 PolarHBondContact O-N 3.37Å; T23-N25 PolarHBondContact O-N 3.44Å |
| 24 | P | 93.7 | Very high | 95.7 | Very high | 49 Ų | 49 | 99.5 Ų | 99.5 | 32% | 0.318 | 49% | 0.488 | S | S | . | . | | | trans | -66 | 134 | -178.3 | 27.7 | -35 | 0 | 0 | 0 | 112 | L12 I22 F28 M29 | L12-P24 HydrophobicContact CD1-CG 4.1Å; I22-P24 WeakPolarHBondContact O-CD 3.49Å; P24-F28 HydrophobicContact CB-CD1 3.97Å; P24-M29 HydrophobicContact CB-CG 4.1Å; P24-M29 HydrophobicContact CB-SD 3.92Å; P24-M29 HydrophobicContact CG-CG 4.03Å; P24-M29 HydrophobicContact CG-SD 3.59Å; P24-M29 VanDerWaalsContact CG-SD 3.59Å |
| 25 | N | 96.1 | Very high | 95.8 | Very high | 120 Ų | 120 | 98.7 Ų | 98.7 | 64% | 0.642 | 49% | 0.485 | S | S | * | . | | | trans | -58.8 | 141.3 | 170.5 | -179.3 | -23 | 0 | 0 | 0 | 110.1 | T23 G27 F28 M29 | T23-N25 PolarHBondContact O-N 3.44Å; N25-G27 PolarHBondContact O-N 3.12Å; N25-G27 VanDerWaalsContact O-N 3.15Å; N25-G27 PolarHBondContact OD1-N 2.9Å; N25-F28 WeakPolarHBondContact O-CA 3.33Å; N25-F28 WeakPolarHBondContact O-CB 3.44Å; N25-F28 PolarHBondContact O-N 3.4Å; N25-M29 PolarHBondContact O-N 3.33Å |
| 26 | R | 96.9 | Very high | 95.8 | Very high | 189 Ų | 189 | 97.5 Ų | 97.5 | 71% | 0.713 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -44.4 | -44.9 | 172.5 | 177.7 | -178.8 | 163.7 | 175.8 | -3.6 | 112.8 | F28 M29 E30 | R26-F28 VanDerWaalsContact C-N 3.27Å; R26-F28 PolarHBondContact O-N 3.15Å; R26-M29 WeakPolarHBondContact O-CB 3.41Å; R26-M29 PolarHBondContact O-N 3.39Å; R26-M29 VanDerWaalsContact O-N 3.13Å; R26-E30 IonicContact CZ-OE1 2.74Å; R26-E30 IonicContact NE-OE1 2.95Å; R26-E30 PolarHBondContact NE-OE1 3.46Å; R26-E30 IonicContact NH2-OE1 3.73Å; R26-E30 PolarHBondContact NH2-OE1 2.87Å; R26-E30 WeakPolarHBondContact O-CG 3.11Å; R26-E30 PolarHBondContact O-N 3.26Å |
| 27 | G | 97.5 | Very high | 95.8 | Very high | 30 Ų | 30 | 95.2 Ų | 95.2 | 31% | 0.309 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -29.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | N25 Q31 | N25-G27 PolarHBondContact O-N 3.12Å; N25-G27 VanDerWaalsContact O-N 3.15Å; N25-G27 PolarHBondContact OD1-N 2.9Å; G27-Q31 VanDerWaalsContact O-CG 3.31Å; G27-Q31 WeakPolarHBondContact O-CG 3.1Å; G27-Q31 PolarHBondContact O-N 3.31Å; G27-Q31 VanDerWaalsContact O-N 3.12Å |
| 28 | F | 97.3 | Very high | 95.8 | Very high | 108 Ų | 108 | 92.3 Ų | 92.3 | 47% | 0.474 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -76.2 | -38 | 172.7 | -173.5 | -112.3 | 0 | 0 | 0 | 111.4 | P24 N25 R26 E30 Q31 L32 | P24-F28 HydrophobicContact CB-CD1 3.97Å; N25-F28 WeakPolarHBondContact O-CA 3.33Å; N25-F28 WeakPolarHBondContact O-CB 3.44Å; N25-F28 PolarHBondContact O-N 3.4Å; R26-F28 VanDerWaalsContact C-N 3.27Å; R26-F28 PolarHBondContact O-N 3.15Å; F28-E30 VanDerWaalsContact C-N 3.31Å; F28-E30 PolarHBondContact O-N 3.42Å; F28-Q31 WeakPolarHBondContact O-CB 3.44Å; F28-Q31 PolarHBondContact O-N 3.19Å; F28-L32 HydrophobicContact CD1-CD1 3.96Å; F28-L32 HydrophobicContact CD1-CG 4.41Å; F28-L32 HydrophobicContact CE1-CD1 3.71Å; F28-L32 HydrophobicContact CE1-CD2 4.49Å; F28-L32 HydrophobicContact CE1-CG 4.19Å; F28-L32 HydrophobicContact CZ-CD1 4.32Å; F28-L32 HydrophobicContact CZ-CD2 4.29Å; F28-L32 HydrophobicContact CZ-CG 4.37Å; F28-L32 WeakPolarHBondContact O-CG 3.33Å; F28-L32 PolarHBondContact O-N 2.7Å |
| 29 | M | 97 | Very high | 95.8 | Very high | 40 Ų | 40 | 87.8 Ų | 87.8 | 20% | 0.197 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 171.4 | -69.6 | -57.9 | -58 | 0 | 0 | 112.4 | L8 L12 P24 N25 R26 L32 K33 | L8-M29 HydrophobicContact CD1-CE 4.14Å; L8-M29 HydrophobicContact CD2-CE 4.03Å; L8-M29 HydrophobicContact CG-CE 4.18Å; L12-M29 HydrophobicContact CD1-SD 4.38Å; L12-M29 HydrophobicContact CD2-CE 3.94Å; L12-M29 HydrophobicContact CD2-SD 4.32Å; P24-M29 HydrophobicContact CB-CG 4.1Å; P24-M29 HydrophobicContact CB-SD 3.92Å; P24-M29 HydrophobicContact CG-CG 4.03Å; P24-M29 HydrophobicContact CG-SD 3.59Å; P24-M29 VanDerWaalsContact CG-SD 3.59Å; N25-M29 PolarHBondContact O-N 3.33Å; R26-M29 WeakPolarHBondContact O-CB 3.41Å; R26-M29 PolarHBondContact O-N 3.39Å; R26-M29 VanDerWaalsContact O-N 3.13Å; M29-L32 PolarHBondContact O-N 3.04Å; M29-L32 HydrophobicContact SD-CD1 4.25Å; M29-K33 WeakPolarHBondContact O-CG 3.4Å; M29-K33 PolarHBondContact O-N 3.4Å |
| 30 | E | 97.5 | Very high | 95.8 | Very high | 87 Ų | 87 | 83 Ų | 83 | 41% | 0.407 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 174.3 | -72.3 | 171 | 172.7 | 0 | 0 | 111.8 | R26 F28 L32 K33 I34 | R26-E30 IonicContact CZ-OE1 2.74Å; R26-E30 IonicContact NE-OE1 2.95Å; R26-E30 PolarHBondContact NE-OE1 3.46Å; R26-E30 IonicContact NH2-OE1 3.73Å; R26-E30 PolarHBondContact NH2-OE1 2.87Å; R26-E30 WeakPolarHBondContact O-CG 3.11Å; R26-E30 PolarHBondContact O-N 3.26Å; F28-E30 VanDerWaalsContact C-N 3.31Å; F28-E30 PolarHBondContact O-N 3.42Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.11Å; E30-K33 PolarHBondContact O-N 2.9Å; E30-I34 WeakPolarHBondContact O-CG1 3.36Å; E30-I34 PolarHBondContact O-N 2.9Å; E30-I34 VanDerWaalsContact O-N 3.07Å |
| 31 | Q | 97.8 | Very high | 95.8 | Very high | 108 Ų | 108 | 77.8 Ų | 77.8 | 51% | 0.505 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 171.6 | -73.8 | 170.3 | -1 | 0 | 0 | 112.6 | G27 F28 I34 Y35 | G27-Q31 VanDerWaalsContact O-CG 3.31Å; G27-Q31 WeakPolarHBondContact O-CG 3.1Å; G27-Q31 PolarHBondContact O-N 3.31Å; G27-Q31 VanDerWaalsContact O-N 3.12Å; F28-Q31 WeakPolarHBondContact O-CB 3.44Å; F28-Q31 PolarHBondContact O-N 3.19Å; Q31-I34 PolarHBondContact O-N 3.01Å; Q31-Y35 WeakPolarHBondContact O-CB 3.36Å; Q31-Y35 PolarHBondContact O-N 2.76Å |
| 32 | L | 97.7 | Very high | 95.7 | Very high | 36 Ų | 36 | 76.3 Ų | 76.3 | 19% | 0.188 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67 | -38.7 | 176.8 | -69.5 | 174.8 | 0 | 0 | 0 | 112.3 | M1 L8 F28 M29 E30 I34 Y35 E36 | M1-L32 HydrophobicContact SD-CD2 4.08Å; L8-L32 HydrophobicContact CD1-CB 3.6Å; L8-L32 HydrophobicContact CD1-CD1 3.79Å; L8-L32 HydrophobicContact CD1-CG 4.28Å; L8-L32 HydrophobicContact CD2-CB 4.16Å; F28-L32 HydrophobicContact CD1-CD1 3.96Å; F28-L32 HydrophobicContact CD1-CG 4.41Å; F28-L32 HydrophobicContact CE1-CD1 3.71Å; F28-L32 HydrophobicContact CE1-CD2 4.49Å; F28-L32 HydrophobicContact CE1-CG 4.19Å; F28-L32 HydrophobicContact CZ-CD1 4.32Å; F28-L32 HydrophobicContact CZ-CD2 4.29Å; F28-L32 HydrophobicContact CZ-CG 4.37Å; F28-L32 WeakPolarHBondContact O-CG 3.33Å; F28-L32 PolarHBondContact O-N 2.7Å; M29-L32 PolarHBondContact O-N 3.04Å; M29-L32 HydrophobicContact SD-CD1 4.25Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 3.11Å; L32-I34 VanDerWaalsContact C-N 3.34Å; L32-I34 PolarHBondContact O-N 3Å; L32-Y35 WeakPolarHBondContact O-CB 3.46Å; L32-Y35 PolarHBondContact O-N 3.28Å; L32-Y35 VanDerWaalsContact O-N 3.15Å; L32-E36 PolarHBondContact O-N 3.27Å |
| 33 | K | 97.3 | Very high | 95.5 | Very high | 117 Ų | 117 | 79.3 Ų | 79.3 | 51% | 0.509 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 172.5 | -72.7 | -175.6 | 175.9 | -165.9 | 0 | 112.6 | L8 M29 E30 Y35 E36 G37 | L8-K33 HydrophobicContact CD2-CB 4.38Å; L8-K33 HydrophobicContact CD2-CD 4.39Å; L8-K33 HydrophobicContact CD2-CG 3.36Å; M29-K33 WeakPolarHBondContact O-CG 3.4Å; M29-K33 PolarHBondContact O-N 3.4Å; E30-K33 PolarHBondContact O-N 2.9Å; K33-Y35 VanDerWaalsContact C-N 3.34Å; K33-E36 PolarHBondContact O-N 3.14Å; K33-G37 PolarHBondContact O-N 3.15Å |
| 34 | I | 97.4 | Very high | 94.9 | Very high | 100 Ų | 100 | 77.3 Ų | 77.3 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 173 | -67 | 164.3 | 0 | 0 | 0 | 110.4 | E30 Q31 L32 G37 I38 | E30-I34 WeakPolarHBondContact O-CG1 3.36Å; E30-I34 PolarHBondContact O-N 2.9Å; E30-I34 VanDerWaalsContact O-N 3.07Å; Q31-I34 PolarHBondContact O-N 3.01Å; L32-I34 VanDerWaalsContact C-N 3.34Å; L32-I34 PolarHBondContact O-N 3Å; I34-G37 PolarHBondContact O-N 3.09Å; I34-I38 HydrophobicContact CG2-CD1 3.99Å; I34-I38 WeakPolarHBondContact O-CG1 3.47Å; I34-I38 PolarHBondContact O-N 3.01Å; I34-I38 VanDerWaalsContact O-N 3.11Å |
| 35 | Y | 97.8 | Very high | 94 | Very high | 77 Ų | 77 | 80.6 Ų | 80.6 | 30% | 0.302 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 178.2 | -174 | -114.8 | 0 | 0 | 0 | 112.9 | M1 Q31 L32 K33 I38 L39 | M1-Y35 HydrophobicContact CB-CE1 4.41Å; M1-Y35 HydrophobicContact CE-CD1 4.26Å; M1-Y35 HydrophobicContact SD-CD1 4.24Å; Q31-Y35 WeakPolarHBondContact O-CB 3.36Å; Q31-Y35 PolarHBondContact O-N 2.76Å; L32-Y35 WeakPolarHBondContact O-CB 3.46Å; L32-Y35 PolarHBondContact O-N 3.28Å; L32-Y35 VanDerWaalsContact O-N 3.15Å; K33-Y35 VanDerWaalsContact C-N 3.34Å; Y35-I38 WeakPolarHBondContact O-CB 3.44Å; Y35-I38 PolarHBondContact O-N 3.28Å; Y35-L39 HydrophobicContact CD1-CD1 4.06Å; Y35-L39 HydrophobicContact CD1-CG 4.41Å; Y35-L39 HydrophobicContact CE1-CD1 3.72Å; Y35-L39 HydrophobicContact CE1-CD2 4.37Å; Y35-L39 HydrophobicContact CE1-CG 4.11Å; Y35-L39 WeakPolarHBondContact O-CG 3.36Å; Y35-L39 PolarHBondContact O-N 3.08Å |
| 36 | E | 96.6 | Very high | 92.7 | Very high | 37 Ų | 37 | 80 Ų | 80 | 17% | 0.173 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.6 | -52.8 | 172.5 | -174.8 | 160.5 | -125.1 | 0 | 0 | 112.1 | M1 P7 L8 L32 K33 I38 L39 D40 | M1-E36 HydrophobicContact CE-CB 3.66Å; M1-E36 HydrophobicContact CE-CG 4.31Å; P7-E36 WeakPolarHBondContact CA-OE1 3.48Å; P7-E36 WeakPolarHBondContact CB-OE1 3.35Å; L8-E36 WeakPolarHBondContact CB-OE2 3.42Å; L8-E36 PolarHBondContact N-OE1 3.15Å; L32-E36 PolarHBondContact O-N 3.27Å; K33-E36 PolarHBondContact O-N 3.14Å; E36-I38 PolarHBondContact O-N 2.84Å; E36-L39 WeakPolarHBondContact O-CA 3.24Å; E36-L39 WeakPolarHBondContact O-CB 3.19Å; E36-L39 PolarHBondContact O-N 3.22Å; E36-D40 PolarHBondContact O-N 3.31Å |
| 37 | G | 96 | Very high | 91 | Very high | 41 Ų | 41 | 73.2 Ų | 73.2 | 42% | 0.423 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.5 | -28.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K33 I34 A41 | K33-G37 PolarHBondContact O-N 3.15Å; I34-G37 PolarHBondContact O-N 3.09Å; G37-A41 WeakPolarHBondContact O-CB 3.47Å; G37-A41 PolarHBondContact O-N 3.31Å |
| 38 | I | 95.4 | Very high | 89.4 | Confident | 76 Ų | 76 | 78 Ų | 78 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -71.2 | -40.5 | 171.8 | -69.3 | 165.8 | 0 | 0 | 0 | 111.2 | I34 Y35 E36 S42 | I34-I38 HydrophobicContact CG2-CD1 3.99Å; I34-I38 WeakPolarHBondContact O-CG1 3.47Å; I34-I38 PolarHBondContact O-N 3.01Å; I34-I38 VanDerWaalsContact O-N 3.11Å; Y35-I38 WeakPolarHBondContact O-CB 3.44Å; Y35-I38 PolarHBondContact O-N 3.28Å; E36-I38 PolarHBondContact O-N 2.84Å; I38-S42 VanDerWaalsContact O-CB 3.32Å; I38-S42 WeakPolarHBondContact O-CB 3.42Å; I38-S42 PolarHBondContact O-N 3.49Å |
| 39 | L | 95.6 | Very high | 87.7 | Confident | 23 Ų | 23 | 79.3 Ų | 79.3 | 12% | 0.12 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64 | -44.8 | 174.8 | -69.5 | 176.1 | 0 | 0 | 0 | 111.3 | M1 K2 Y35 E36 S42 R43 | M1-L39 HydrophobicContact CB-CD1 3.99Å; K2-L39 HydrophobicContact CB-CD1 4.39Å; K2-L39 HydrophobicContact CB-CD2 4.1Å; K2-L39 HydrophobicContact CG-CD2 4.24Å; Y35-L39 HydrophobicContact CD1-CD1 4.06Å; Y35-L39 HydrophobicContact CD1-CG 4.41Å; Y35-L39 HydrophobicContact CE1-CD1 3.72Å; Y35-L39 HydrophobicContact CE1-CD2 4.37Å; Y35-L39 HydrophobicContact CE1-CG 4.11Å; Y35-L39 WeakPolarHBondContact O-CG 3.36Å; Y35-L39 PolarHBondContact O-N 3.08Å; E36-L39 WeakPolarHBondContact O-CA 3.24Å; E36-L39 WeakPolarHBondContact O-CB 3.19Å; E36-L39 PolarHBondContact O-N 3.22Å; L39-S42 CarbonylContact O-C 3.52Å; L39-S42 WeakPolarHBondContact O-CA 3.46Å; L39-S42 WeakPolarHBondContact O-CB 3.43Å; L39-S42 PolarHBondContact O-N 3.19Å; L39-R43 VanDerWaalsContact O-CG 3.3Å; L39-R43 WeakPolarHBondContact O-CG 3.44Å; L39-R43 PolarHBondContact O-N 3.13Å |
| 40 | D | 93.7 | Very high | 86 | Confident | 73 Ų | 73 | 84.3 Ų | 84.3 | 39% | 0.39 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 179.1 | -70.3 | -28 | 0 | 0 | 0 | 112.8 | E36 S42 R43 N44 | E36-D40 PolarHBondContact O-N 3.31Å; D40-S42 PolarHBondContact O-N 2.99Å; D40-R43 PolarHBondContact O-N 3.03Å; D40-R43 WeakPolarHBondContact OD1-CD 3.42Å; D40-R43 IonicContact OD1-CZ 3.92Å; D40-R43 IonicContact OD1-NE 2.79Å; D40-R43 IonicContact OD1-NH1 3.21Å; D40-R43 PolarHBondContact OD1-NH1 3.4Å; D40-N44 WeakPolarHBondContact O-CB 3.48Å; D40-N44 PolarHBondContact O-N 2.86Å |
| 41 | A | 92.8 | Very high | 83.9 | Confident | 44 Ų | 44 | 84.1 Ų | 84.1 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.9 | -35 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G37 R45 | G37-A41 WeakPolarHBondContact O-CB 3.47Å; G37-A41 PolarHBondContact O-N 3.31Å; A41-R45 VanDerWaalsContact O-CG 3.24Å; A41-R45 WeakPolarHBondContact O-CG 3.21Å; A41-R45 PolarHBondContact O-N 3.34Å |
| 42 | S | 89.8 | Confident | 82 | Confident | 65 Ų | 65 | 81.7 Ų | 81.7 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -73.5 | -34.6 | 176.9 | -162.1 | 0 | 0 | 0 | 0 | 113.1 | I38 L39 D40 | I38-S42 VanDerWaalsContact O-CB 3.32Å; I38-S42 WeakPolarHBondContact O-CB 3.42Å; I38-S42 PolarHBondContact O-N 3.49Å; L39-S42 CarbonylContact O-C 3.52Å; L39-S42 WeakPolarHBondContact O-CA 3.46Å; L39-S42 WeakPolarHBondContact O-CB 3.43Å; L39-S42 PolarHBondContact O-N 3.19Å; D40-S42 PolarHBondContact O-N 2.99Å |
| 43 | R | 87.1 | Confident | 80 | Confident | 111 Ų | 111 | 85.1 Ų | 85.1 | 42% | 0.419 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 172.5 | -69.7 | 159.8 | 179.1 | 169 | -6.2 | 110.7 | G5 L39 D40 R45 T46 | G5-R43 PolarHBondContact O-NH2 3.4Å; L39-R43 VanDerWaalsContact O-CG 3.3Å; L39-R43 WeakPolarHBondContact O-CG 3.44Å; L39-R43 PolarHBondContact O-N 3.13Å; D40-R43 PolarHBondContact O-N 3.03Å; D40-R43 WeakPolarHBondContact OD1-CD 3.42Å; D40-R43 IonicContact OD1-CZ 3.92Å; D40-R43 IonicContact OD1-NE 2.79Å; D40-R43 IonicContact OD1-NH1 3.21Å; D40-R43 PolarHBondContact OD1-NH1 3.4Å; R43-R45 PolarHBondContact O-N 2.99Å; R43-T46 PolarHBondContact O-N 2.9Å; R43-T46 PolarHBondContact O-OG1 3.19Å |
| 44 | N | 82.6 | Confident | 77.9 | Confident | 93 Ų | 93 | 82.9 Ų | 82.9 | 50% | 0.497 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -74.1 | -11.2 | -178.2 | -157.3 | -3.7 | 0 | 0 | 0 | 113.3 | D40 T46 S47 | D40-N44 WeakPolarHBondContact O-CB 3.48Å; D40-N44 PolarHBondContact O-N 2.86Å; N44-T46 PolarHBondContact O-N 3.43Å; N44-S47 WeakPolarHBondContact O-CB 3.41Å; N44-S47 PolarHBondContact O-N 3.2Å; N44-S47 WeakPolarHBondContact OD1-CB 3.37Å |
| 45 | R | 74.8 | Confident | 75.9 | Confident | 118 Ų | 118 | 81.5 Ų | 81.5 | 45% | 0.445 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16.6 | 173.9 | -85.2 | 167.8 | -160.7 | 176.4 | 2.4 | 114.4 | A41 R43 W50 | A41-R45 VanDerWaalsContact O-CG 3.24Å; A41-R45 WeakPolarHBondContact O-CG 3.21Å; A41-R45 PolarHBondContact O-N 3.34Å; R43-R45 PolarHBondContact O-N 2.99Å; R45-W50 WeakPolarHBondContact O-CB 3.42Å |
| 46 | T | 67.2 | Low | 73.9 | Confident | 108 Ų | 108 | 83.8 Ų | 83.8 | 66% | 0.663 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -8.1 | 170.3 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | R43 N44 N51 | R43-T46 PolarHBondContact O-N 2.9Å; R43-T46 PolarHBondContact O-OG1 3.19Å; N44-T46 PolarHBondContact O-N 3.43Å; T46-N51 PolarHBondContact O-ND2 3.05Å |
| 47 | S | 63 | Low | 72.1 | Confident | 45 Ų | 45 | 89.9 Ų | 89.9 | 32% | 0.315 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -61.6 | 145.7 | 174.2 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | N44 L49 W50 | N44-S47 WeakPolarHBondContact O-CB 3.41Å; N44-S47 PolarHBondContact O-N 3.2Å; N44-S47 WeakPolarHBondContact OD1-CB 3.37Å; S47-L49 PolarHBondContact O-N 3.02Å; S47-W50 PolarHBondContact O-N 3.28Å |
| 48 | I | 62.1 | Low | 70.1 | Confident | 130 Ų | 130 | 90.7 Ų | 90.7 | 67% | 0.667 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -51.1 | -36.2 | -171.3 | -64.2 | 171.4 | 0 | 0 | 0 | 111.5 | W50 N51 S52 | I48-W50 PolarHBondContact O-N 2.83Å; I48-W50 VanDerWaalsContact O-N 3.09Å; I48-N51 CarbonylContact O-C 3.57Å; I48-N51 PolarHBondContact O-N 3.09Å; I48-S52 WeakPolarHBondContact CG2-OG 3.3Å; I48-S52 WeakPolarHBondContact O-CB 3.2Å; I48-S52 PolarHBondContact O-N 3.05Å; I48-S52 PolarHBondContact O-OG 2.96Å |
| 49 | L | 63.2 | Low | 68.4 | Low | 136 Ų | 136 | 93.5 Ų | 93.5 | 71% | 0.712 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -55.5 | -28.5 | 179 | -61 | 177.3 | 0 | 0 | 0 | 115 | S47 | S47-L49 PolarHBondContact O-N 3.02Å |
| 50 | W | 59.7 | Low | 66.7 | Low | 145 Ų | 145 | 102.1 Ų | 102.1 | 55% | 0.549 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -90.3 | -33.5 | 174.8 | -64.6 | 94.4 | 0 | 0 | 0 | 112.2 | R45 S47 I48 | R45-W50 WeakPolarHBondContact O-CB 3.42Å; S47-W50 PolarHBondContact O-N 3.28Å; I48-W50 PolarHBondContact O-N 2.83Å; I48-W50 VanDerWaalsContact O-N 3.09Å |
| 51 | N | 55.5 | Low | 64.7 | Low | 84 Ų | 84 | 105.1 Ų | 105.1 | 45% | 0.449 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -77.2 | -29.3 | 179.2 | -74.7 | -30.5 | 0 | 0 | 0 | 113.4 | T46 I48 L53 S54 S55 | T46-N51 PolarHBondContact O-ND2 3.05Å; I48-N51 CarbonylContact O-C 3.57Å; I48-N51 PolarHBondContact O-N 3.09Å; N51-L53 VanDerWaalsContact C-N 3.27Å; N51-L53 PolarHBondContact O-N 3.34Å; N51-S54 WeakPolarHBondContact O-CB 3.39Å; N51-S54 PolarHBondContact O-N 3.41Å; N51-S55 PolarHBondContact O-N 3.02Å |
| 52 | S | 55.8 | Low | 62.8 | Low | 57 Ų | 57 | 110.3 Ų | 110.3 | 40% | 0.399 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -56.1 | -42.5 | 172.5 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | I48 S54 S55 E56 | I48-S52 WeakPolarHBondContact CG2-OG 3.3Å; I48-S52 WeakPolarHBondContact O-CB 3.2Å; I48-S52 PolarHBondContact O-N 3.05Å; I48-S52 PolarHBondContact O-OG 2.96Å; S52-S54 PolarHBondContact O-N 2.96Å; S52-S55 PolarHBondContact O-N 3.03Å; S52-E56 WeakPolarHBondContact O-CB 3.46Å; S52-E56 PolarHBondContact O-N 3.36Å |
| 53 | L | 56.9 | Low | 60.3 | Low | 107 Ų | 107 | 110.8 Ų | 110.8 | 56% | 0.56 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.6 | -21.2 | 177.9 | -68.9 | 163.7 | 0 | 0 | 0 | 113.3 | N51 | N51-L53 VanDerWaalsContact C-N 3.27Å; N51-L53 PolarHBondContact O-N 3.34Å |
| 54 | S | 53.7 | Low | 58.3 | Low | 71 Ų | 71 | 112.5 Ų | 112.5 | 50% | 0.497 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -87 | -41.4 | 173.5 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | N51 S52 K57 A58 | N51-S54 WeakPolarHBondContact O-CB 3.39Å; N51-S54 PolarHBondContact O-N 3.41Å; S52-S54 PolarHBondContact O-N 2.96Å; S54-K57 PolarHBondContact O-N 2.91Å; S54-A58 PolarHBondContact O-N 2.62Å |
| 55 | S | 54 | Low | 56.4 | Low | 70 Ų | 70 | 115 Ų | 115 | 49% | 0.49 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.6 | -44.4 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 112.4 | N51 S52 K57 A58 L59 | N51-S55 PolarHBondContact O-N 3.02Å; S52-S55 PolarHBondContact O-N 3.03Å; S55-K57 PolarHBondContact O-N 3.07Å; S55-A58 PolarHBondContact O-N 3.33Å; S55-L59 PolarHBondContact O-N 2.99Å; S55-L59 VanDerWaalsContact O-N 3.15Å |
| 56 | E | 56.9 | Low | 54.9 | Low | 125 Ų | 125 | 115.9 Ų | 115.9 | 58% | 0.584 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.4 | -34.8 | 173.9 | -175.9 | 173.9 | -146.3 | 0 | 0 | 111.3 | S52 Y60 | S52-E56 WeakPolarHBondContact O-CB 3.46Å; S52-E56 PolarHBondContact O-N 3.36Å; E56-Y60 WeakPolarHBondContact O-CD2 3.44Å |
| 57 | K | 57.7 | Low | 53.5 | Low | 165 Ų | 165 | 119.6 Ų | 119.6 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -77.9 | -34 | 177.4 | -158.5 | 179.6 | -177.6 | -165.6 | 0 | 113.3 | S54 S55 L59 Y60 | S54-K57 PolarHBondContact O-N 2.91Å; S55-K57 PolarHBondContact O-N 3.07Å; K57-L59 VanDerWaalsContact C-N 3.31Å; K57-L59 PolarHBondContact O-N 3.33Å; K57-Y60 PolarHBondContact O-N 3.02Å |
| 58 | A | 55.2 | Low | 52.6 | Low | 59 Ų | 59 | 124.4 Ų | 124.4 | 49% | 0.488 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -64.5 | -35.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S54 S55 Y60 D61 | S54-A58 PolarHBondContact O-N 2.62Å; S55-A58 PolarHBondContact O-N 3.33Å; A58-Y60 PolarHBondContact O-N 3.32Å; A58-D61 PolarHBondContact O-N 3.28Å |
| 59 | L | 58.4 | Low | 51.6 | Low | 135 Ų | 135 | 125.5 Ų | 125.5 | 71% | 0.707 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -13.2 | 177.2 | -80 | 165.4 | 0 | 0 | 0 | 114.8 | S55 K57 | S55-L59 PolarHBondContact O-N 2.99Å; S55-L59 VanDerWaalsContact O-N 3.15Å; K57-L59 VanDerWaalsContact C-N 3.31Å; K57-L59 PolarHBondContact O-N 3.33Å |
| 60 | Y | 59.8 | Low | 50.7 | Low | 203 Ų | 203 | 123.8 Ų | 123.8 | 80% | 0.796 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -6.6 | 177.9 | -89.8 | -73.7 | 0 | 0 | 0 | 114.5 | E56 K57 A58 | E56-Y60 WeakPolarHBondContact O-CD2 3.44Å; K57-Y60 PolarHBondContact O-N 3.02Å; A58-Y60 PolarHBondContact O-N 3.32Å |
| 61 | D | 53 | Low | 49.9 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -101.1 | 0.8 | -178.5 | -153.9 | 43.5 | 0 | 0 | 0 | 112.9 | A58 | A58-D61 PolarHBondContact O-N 3.28Š|
| 62 | H | 51.8 | Low | 49 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 71% | 0.708 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -120.2 | 88 | 175.1 | -70.4 | 0.2 | 0 | 0 | 0 | 109.1 | I64 | H62-I64 PolarHBondContact O-N 2.76Å; H62-I64 VanDerWaalsContact O-N 3.08Å |
| 63 | G | 37.2 | Very low | 48.6 | Very low | 75 Ų | 75 | 137.2 Ų | 137.2 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | | | trans | -68.9 | 103.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V65 | G63-V65 PolarHBondContact O-N 3.11Š|
| 64 | I | 46.2 | Very low | 47.7 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | | | trans | -79.5 | 108.7 | 158 | -66.4 | 179.8 | 0 | 0 | 0 | 107.5 | H62 E66 | H62-I64 PolarHBondContact O-N 2.76Å; H62-I64 VanDerWaalsContact O-N 3.08Å; I64-E66 HydrophobicContact CG2-CB 4.08Å; I64-E66 HydrophobicContact CG2-CG 4.33Å |
| 65 | V | 42.1 | Very low | 47.5 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 87% | 0.873 | 73% | 0.731 | S | S | * | * | | | trans | -93.5 | 86.8 | 166.2 | -174.8 | 0 | 0 | 0 | 0 | 107 | G63 | G63-V65 PolarHBondContact O-N 3.11Š|
| 66 | E | 44.3 | Very low | 46.8 | Very low | 138 Ų | 138 | 144 Ų | 144 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | | | trans | -126.2 | 112.2 | 165.5 | -87.3 | -156.8 | 94.9 | 0 | 0 | 111.1 | I64 H68 | I64-E66 HydrophobicContact CG2-CB 4.08Å; I64-E66 HydrophobicContact CG2-CG 4.33Å; E66-H68 PolarHBondContact O-N 2.89Å; E66-H68 IonicContact OE1-CE1 3.24Å; E66-H68 PolarHBondContact OE1-CE1 2.84Å; E66-H68 VanDerWaalsContact OE1-CE1 3.24Å; E66-H68 IonicContact OE1-ND1 2.79Å; E66-H68 PolarHBondContact OE1-ND1 3.36Å |
| 67 | E | 36.9 | Very low | 45.8 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | | | trans | -88.2 | 78.9 | 172.5 | -176 | -174.9 | 157.7 | 0 | 0 | 108.9 | | |
| 68 | H | 44.7 | Very low | 45.2 | Very low | 146 Ų | 146 | 150.7 Ų | 150.7 | 68% | 0.676 | 76% | 0.763 | S | S | * | * | | | trans | -128.5 | 91 | 177.8 | -77.3 | 130.8 | 0 | 0 | 0 | 112.5 | E66 | E66-H68 PolarHBondContact O-N 2.89Å; E66-H68 IonicContact OE1-CE1 3.24Å; E66-H68 PolarHBondContact OE1-CE1 2.84Å; E66-H68 VanDerWaalsContact OE1-CE1 3.24Å; E66-H68 IonicContact OE1-ND1 2.79Å; E66-H68 PolarHBondContact OE1-ND1 3.36Å |
| 69 | L | 40.4 | Very low | 44.1 | Very low | 154 Ų | 154 | 152.7 Ų | 152.7 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | | | trans | 23.7 | 150.2 | 136.7 | -58.2 | 172.2 | 0 | 0 | 0 | 121.3 | | |
| 70 | S | 44.7 | Very low | 43.4 | Very low | 100 Ų | 100 | 152 Ų | 152 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | 62.3 | 107 | 168.8 | 40.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 71 | E | 42 | Very low | 42.5 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | | | | 77.8 | 130.8 | 77.9 | -75.4 | 179.4 | 128.7 | 0 | 0 | 113.8 | | |
| 72 | D | 38.2 | Very low | 42.2 | Very low | 148 Ų | 148 | 151.9 Ų | 151.9 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | 39.4 | 112.3 | 168.5 | -111.4 | -25.5 | 0 | 0 | 0 | 119.3 | | |
| 73 | R | 46.6 | Very low | 41.5 | Very low | 232 Ų | 232 | 148.7 Ų | 148.7 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | | | | -156 | 124.1 | 113 | -74.1 | -138.4 | 170.4 | 173.1 | -0.8 | 112.8 | | |
| 74 | N | 38.4 | Very low | 41.8 | Very low | 150 Ų | 150 | 151.2 Ų | 151.2 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -78.3 | 118.5 | 167.9 | 179.7 | -0.5 | 0 | 0 | 0 | 110.5 | | |
| 75 | I | 50.1 | Low | 41.7 | Very low | 135 Ų | 135 | 151.6 Ų | 151.6 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | trans | -138.5 | 123.3 | 172.2 | -56.1 | -178.2 | 0 | 0 | 0 | 109.5 | | |
| 76 | P | 38.1 | Very low | 41.7 | Very low | 106 Ų | 106 | 150.6 Ų | 150.6 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | | | trans | -66.3 | 145.4 | 177 | -22.4 | 34.2 | 0 | 0 | 0 | 113.8 | E78 | P76-E78 PolarHBondContact O-N 3.33Å; P76-E78 VanDerWaalsContact O-N 3.14Å |
| 77 | R | 36.6 | Very low | 42.5 | Very low | 259 Ų | 259 | 152.8 Ų | 152.8 | 98% | 0.977 | 78% | 0.776 | S | S | * | * | | | trans | -83.5 | 78.3 | 168.9 | -71.7 | -175.3 | 176.1 | -177.8 | -1.4 | 110.6 | | |
| 78 | E | 44.6 | Very low | 43.1 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | trans | -87.2 | 166 | 171.9 | -160.8 | 153.4 | -135.3 | 0 | 0 | 111.9 | P76 V80 | P76-E78 PolarHBondContact O-N 3.33Å; P76-E78 VanDerWaalsContact O-N 3.14Å; E78-V80 PolarHBondContact O-N 3.47Å |
| 79 | S | 33 | Very low | 43.2 | Very low | 101 Ų | 101 | 151.5 Ų | 151.5 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | -58 | 122.6 | -162 | 55.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 80 | V | 43.1 | Very low | 43.8 | Very low | 120 Ų | 120 | 150 Ų | 150 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -110.3 | 91.6 | 162.3 | 179.2 | 0 | 0 | 0 | 0 | 109 | E78 Y82 | E78-V80 PolarHBondContact O-N 3.47Å; V80-Y82 HydrophobicContact CG1-CD2 3.65Å; V80-Y82 HydrophobicContact CG1-CE2 4.19Å; V80-Y82 PolarHBondContact O-N 3.05Å |
| 81 | V | 40.3 | Very low | 43.9 | Very low | 136 Ų | 136 | 151.8 Ų | 151.8 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | -87.7 | 97 | 169.9 | 178.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 82 | Y | 46.7 | Very low | 44.1 | Very low | 201 Ų | 201 | 151 Ų | 151 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | | | trans | -89.3 | 112.2 | 169.2 | -109.1 | -75.9 | 0 | 0 | 0 | 110.8 | V80 C84 | V80-Y82 HydrophobicContact CG1-CD2 3.65Å; V80-Y82 HydrophobicContact CG1-CE2 4.19Å; V80-Y82 PolarHBondContact O-N 3.05Å; Y82-C84 PolarHBondContact O-N 2.86Å |
| 83 | S | 38.1 | Very low | 44 | Very low | 86 Ų | 86 | 147.4 Ų | 147.4 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | | | trans | -73.1 | 110.2 | 166.3 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | K85 | S83-K85 PolarHBondContact O-N 2.99Å; S83-K85 VanDerWaalsContact O-N 3.11Å |
| 84 | C | 43.5 | Very low | 44 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | trans | -69.8 | 104.3 | 168.7 | -63.3 | 0 | 0 | 0 | 0 | 108.7 | Y82 | Y82-C84 PolarHBondContact O-N 2.86Š|
| 85 | K | 43.8 | Very low | 43.9 | Very low | 156 Ų | 156 | 145 Ų | 145 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | -104.1 | 130.3 | 166.5 | -80.1 | -169.4 | 174.9 | -171.7 | 0 | 109.7 | S83 | S83-K85 PolarHBondContact O-N 2.99Å; S83-K85 VanDerWaalsContact O-N 3.11Å |
| 86 | D | 41.6 | Very low | 43.7 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 65% | 0.652 | 80% | 0.8 | S | S | * | * | | | trans | 48.3 | 88.3 | 135.7 | -35.8 | -30 | 0 | 0 | 0 | 115.8 | | |
| 87 | M | 61.9 | Low | 43.5 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | -141.4 | 96.8 | 160.8 | -79.9 | -73.8 | 96.7 | 0 | 0 | 108.5 | | |
| 88 | D | 49.5 | Very low | 43.6 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | trans | -86 | 167.8 | -178.3 | -58.3 | -66.7 | 0 | 0 | 0 | 112.9 | | |
| 89 | D | 46.5 | Very low | 43.4 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | | | trans | 46.3 | 86.1 | 154.6 | -64.5 | -20.7 | 0 | 0 | 0 | 119.5 | | |
| 90 | S | 53.4 | Low | 43.8 | Very low | 122 Ų | 122 | 138 Ų | 138 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | -150.7 | 131.2 | 133.6 | -166.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 91 | V | 46.5 | Very low | 43.7 | Very low | 138 Ų | 138 | 139.4 Ų | 139.4 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | | | trans | -109.7 | 113.4 | 176.9 | -71.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 92 | D | 45.6 | Very low | 43.6 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 92% | 0.92 | 81% | 0.812 | S | S | * | * | | | trans | -157.2 | 145.3 | 149.3 | -116.9 | -34.5 | 0 | 0 | 0 | 111.3 | | |
| 93 | G | 36.7 | Very low | 43.5 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | | | trans | -100 | 132.1 | -158.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 94 | V | 45.8 | Very low | 43.7 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | | | trans | -124.7 | 138.8 | 160.6 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 95 | Q | 36.5 | Very low | 44 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | -90.9 | 110.9 | -165.7 | -60.9 | 166.3 | 20.1 | 0 | 0 | 112.4 | A97 | Q95-A97 PolarHBondContact O-N 2.81Š|
| 96 | S | 45 | Very low | 44.4 | Very low | 122 Ų | 122 | 134 Ų | 134 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | -97.5 | 43.4 | 172.3 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | G98 | S96-G98 PolarHBondContact O-N 3.24Š|
| 97 | A | 35.7 | Very low | 44.9 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -74.2 | 82.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q95 | Q95-A97 PolarHBondContact O-N 2.81Š|
| 98 | G | 37 | Very low | 44.5 | Very low | 67 Ų | 67 | 132.4 Ų | 132.4 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | trans | -158.2 | 10.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | S96 | S96-G98 PolarHBondContact O-N 3.24Š|
| 99 | L | 41.8 | Very low | 44.3 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -147.3 | 26.7 | -174.4 | -146.6 | 73.5 | 0 | 0 | 0 | 118.3 | | |
| 100 | L | 40.2 | Very low | 44 | Very low | 168 Ų | 168 | 125.5 Ų | 125.5 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | | | trans | -136.6 | 75.1 | 179.3 | -73 | 176.4 | 0 | 0 | 0 | 114.2 | | |
| 101 | V | 41.8 | Very low | 43.8 | Very low | 150 Ų | 150 | 126 Ų | 126 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | | | trans | -137.6 | 59.2 | 170.2 | -166.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 102 | A | 38.3 | Very low | 43.8 | Very low | 95 Ų | 95 | 127.3 Ų | 127.3 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -159.3 | 57.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 103 | S | 44.2 | Very low | 43.4 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 54% | 0.538 | 77% | 0.767 | S | S | . | * | | | trans | -158.3 | -29.9 | 172.3 | -74.9 | 0 | 0 | 0 | 0 | 116.8 | N105 | S103-N105 VanDerWaalsContact C-N 3.26Å; S103-N105 PolarHBondContact O-N 2.96Å |
| 104 | E | 43.2 | Very low | 43.5 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 20.2 | -155.9 | -56 | -165.1 | 126.5 | 0 | 0 | 118.3 | K108 | E104-K108 PolarHBondContact O-NZ 3.45Š|
| 105 | N | 49.9 | Very low | 43 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -8.7 | -177.9 | -73.7 | -20.1 | 0 | 0 | 0 | 114.9 | S103 L107 K108 | S103-N105 VanDerWaalsContact C-N 3.26Å; S103-N105 PolarHBondContact O-N 2.96Å; N105-L107 VanDerWaalsContact C-N 3.34Å; N105-L107 PolarHBondContact O-N 3.25Å; N105-K108 PolarHBondContact O-N 3.23Å |
| 106 | I | 52 | Low | 43.2 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 67% | 0.672 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -70.4 | -28.8 | -174.4 | -58.5 | 177.7 | 0 | 0 | 0 | 112.5 | K108 | I106-K108 VanDerWaalsContact C-N 3.31Å; I106-K108 PolarHBondContact O-N 3.14Å |
| 107 | L | 52.3 | Low | 42.7 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 64% | 0.644 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -88.4 | 14.6 | 179.1 | -64.9 | 174.8 | 0 | 0 | 0 | 114.2 | N105 | N105-L107 VanDerWaalsContact C-N 3.34Å; N105-L107 PolarHBondContact O-N 3.25Å |
| 108 | K | 53.3 | Low | 43.1 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -114.7 | 3.1 | -175.3 | -69.4 | 170.8 | -176.4 | 146 | 0 | 114.6 | E104 N105 I106 | E104-K108 PolarHBondContact O-NZ 3.45Å; N105-K108 PolarHBondContact O-N 3.23Å; I106-K108 VanDerWaalsContact C-N 3.31Å; I106-K108 PolarHBondContact O-N 3.14Å |
| 109 | S | 43.9 | Very low | 43.1 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | -82.9 | 118.1 | 171.1 | 54.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 110 | G | 41.8 | Very low | 42.9 | Very low | 57 Ų | 57 | 133.7 Ų | 133.7 | 59% | 0.588 | 76% | 0.76 | S | S | * | * | | | trans | -67.6 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I112 | G110-I112 PolarHBondContact O-N 2.69Š|
| 111 | P | 48 | Very low | 42.8 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | | | trans | -64.4 | 126.2 | -171.3 | 25.7 | -34.6 | 0 | 0 | 0 | 112.7 | K113 | P111-K113 PolarHBondContact O-N 3.07Š|
| 112 | I | 46.5 | Very low | 42.5 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | | | trans | -69.4 | 114.3 | 173.6 | -59.7 | 174.8 | 0 | 0 | 0 | 108.4 | G110 A114 | G110-I112 PolarHBondContact O-N 2.69Å; I112-A114 PolarHBondContact O-N 3.01Å |
| 113 | K | 37.9 | Very low | 42.3 | Very low | 190 Ų | 190 | 135.9 Ų | 135.9 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | | | trans | -78.6 | 77.5 | -174 | -166.9 | 177.8 | -175.4 | 178.8 | 0 | 111.4 | P111 T115 | P111-K113 PolarHBondContact O-N 3.07Å; K113-T115 PolarHBondContact O-N 3.42Å |
| 114 | A | 38.5 | Very low | 41.8 | Very low | 86 Ų | 86 | 142 Ų | 142 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | | | trans | -67.3 | 117.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I112 | I112-A114 PolarHBondContact O-N 3.01Š|
| 115 | T | 35.5 | Very low | 41.2 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | -102.2 | 82 | -174.2 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | K113 | K113-T115 PolarHBondContact O-N 3.42Š|
| 116 | N | 41.5 | Very low | 40.3 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | trans | -104.7 | 126.8 | 173.7 | -68.1 | 2.9 | 0 | 0 | 0 | 110.4 | | |
| 117 | K | 34.3 | Very low | 39.5 | Very low | 207 Ų | 207 | 137.7 Ų | 137.7 | 90% | 0.9 | 78% | 0.78 | S | S | * | * | | | trans | -98.7 | 119.5 | 171 | -80.6 | -178.1 | 173.2 | -179.2 | 0 | 109.9 | | |
| 118 | S | 42.8 | Very low | 38.7 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | 175.3 | 125.9 | 154.1 | -85 | 0 | 0 | 0 | 0 | 104.9 | | |
| 119 | Q | 38.5 | Very low | 37.7 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | cis | 77.7 | 136.4 | 30.3 | -155.8 | 170 | 1.3 | 0 | 0 | 113.1 | | |
| 120 | S | 36.6 | Very low | 37.4 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | | | trans | 57.9 | 125.5 | -134.9 | 73.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 121 | V | 37.8 | Very low | 37.1 | Very low | 125 Ų | 125 | 146 Ų | 146 | 76% | 0.758 | 81% | 0.811 | S | S | * | * | | | cis | 73.9 | 93.7 | 19.7 | -165.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 122 | E | 36.4 | Very low | 36.4 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | | | trans | -151.1 | 147.6 | 132.2 | -125.5 | 165.4 | -140.7 | 0 | 0 | 109.9 | | |
| 123 | N | 33.7 | Very low | 36.1 | Very low | 148 Ų | 148 | 148.5 Ų | 148.5 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | trans | -111.2 | 125.9 | 179.3 | -62.2 | -62.5 | 0 | 0 | 0 | 109.1 | | |
| 124 | F | 32.8 | Very low | 35.8 | Very low | 206 Ų | 206 | 147.7 Ų | 147.7 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | | | trans | -139.1 | 125.7 | 150.1 | -102.3 | -80.4 | 0 | 0 | 0 | 109.7 | | |
| 125 | G | 30.9 | Very low | 35.9 | Very low | 72 Ų | 72 | 150.4 Ų | 150.4 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | | | trans | -97.7 | 140.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 126 | T | 32.2 | Very low | 35.9 | Very low | 137 Ų | 137 | 151.3 Ų | 151.3 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | | | trans | -124.6 | 109.9 | 172.7 | -50.1 | 0 | 0 | 0 | 0 | 108 | | |
| 127 | T | 35.2 | Very low | 36 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | | | trans | -87.4 | 126.8 | 175.2 | 47 | 0 | 0 | 0 | 0 | 110.7 | | |
| 128 | D | 34.5 | Very low | 36.2 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | 46.9 | 106.5 | 149.3 | -53.4 | -46.9 | 0 | 0 | 0 | 118.8 | | |
| 129 | C | 31.7 | Very low | 35.9 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 90% | 0.899 | 81% | 0.809 | S | S | * | * | | | trans | -80.7 | 142 | 163.2 | -60 | 0 | 0 | 0 | 0 | 110.4 | | |
| 130 | D | 37.4 | Very low | 35.7 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | | | trans | -143.3 | 151.1 | 169.8 | -163.8 | 10.4 | 0 | 0 | 0 | 111.8 | | |
| 131 | K | 35.7 | Very low | 35.6 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | | | trans | 65.3 | 81.3 | 169.7 | -52.4 | -169 | -177.7 | 169.6 | 0 | 119.5 | | |
| 132 | V | 33.9 | Very low | 35.7 | Very low | 139 Ų | 139 | 144 Ų | 144 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | | | trans | -8.6 | 127.2 | 133 | -179.6 | 0 | 0 | 0 | 0 | 116 | | |
| 133 | K | 39.6 | Very low | 35.9 | Very low | 212 Ų | 212 | 144.9 Ų | 144.9 | 92% | 0.922 | 81% | 0.811 | S | S | * | * | | | trans | -154.3 | 144.9 | 134.3 | -120.7 | 175.8 | -176.9 | -178.1 | 0 | 113.9 | | |
| 134 | E | 31.5 | Very low | 35.7 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | -96.5 | 130.7 | -168.7 | 165.2 | -165.6 | -178.8 | 0 | 0 | 111.9 | | |
| 135 | V | 41.3 | Very low | 35.6 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | -158.2 | 128.3 | 154.8 | 172.9 | 0 | 0 | 0 | 0 | 110 | | |
| 136 | D | 36.3 | Very low | 35.6 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | | | trans | -96.3 | 177.5 | 168.3 | -88.9 | -46.4 | 0 | 0 | 0 | 111.7 | | |
| 137 | P | 43.6 | Very low | 35.7 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | | | cis | -132.1 | -169.5 | -48.1 | 39.7 | -24 | 0 | 0 | 0 | 110.4 | | |
| 138 | V | 37.4 | Very low | 35.5 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | -175.8 | 132.9 | 138.2 | 137 | 0 | 0 | 0 | 0 | 114.1 | | |
| 139 | T | 36.2 | Very low | 35.5 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | 22.6 | 115.7 | 154.2 | -45.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 140 | G | 34.8 | Very low | 35.4 | Very low | 72 Ų | 72 | 140.7 Ų | 140.7 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | trans | -154 | 117 | 155.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 141 | S | 35.1 | Very low | 35.3 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | -100 | 110 | -167.9 | -60 | 0 | 0 | 0 | 0 | 114 | | |
| 142 | H | 39.8 | Very low | 35.2 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 89% | 0.889 | 80% | 0.799 | S | S | * | * | | | trans | -127.8 | 153 | 165.4 | -72.8 | -90 | 0 | 0 | 0 | 111.6 | | |
| 143 | K | 40.5 | Very low | 35.3 | Very low | 203 Ų | 203 | 143.4 Ų | 143.4 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | -89.2 | 144.2 | -167.5 | -67.9 | 176.6 | 178.4 | 174.9 | 0 | 113 | | |
| 144 | L | 30 | Very low | 35 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | | | trans | 7.7 | 145.6 | 136.9 | -73.5 | 174.8 | 0 | 0 | 0 | 118.8 | | |
| 145 | P | 29.9 | Very low | 35.2 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | cis | -134.4 | 167.6 | 44.6 | 39.6 | -24.1 | 0 | 0 | 0 | 117.6 | | |
| 146 | A | 31.3 | Very low | 35 | Very low | 76 Ų | 76 | 139.2 Ų | 139.2 | 63% | 0.628 | 80% | 0.796 | S | S | * | * | | | trans | -75 | 144.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T148 | A146-T148 PolarHBondContact O-N 3.12Å; A146-T148 VanDerWaalsContact O-N 3.14Å |
| 147 | V | 34.2 | Very low | 35 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | | | trans | -82.1 | 85.8 | 168.3 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 148 | T | 31.1 | Very low | 34.7 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | | | trans | -65 | 131.9 | 172.6 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | A146 C150 | A146-T148 PolarHBondContact O-N 3.12Å; A146-T148 VanDerWaalsContact O-N 3.14Å; T148-C150 PolarHBondContact O-N 3.46Å; T148-C150 VanDerWaalsContact O-N 3.15Å |
| 149 | L | 33.7 | Very low | 34.6 | Very low | 154 Ų | 154 | 136 Ų | 136 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | | | trans | -71 | 104.5 | 169.7 | -69.2 | 172.1 | 0 | 0 | 0 | 109.2 | Y151 | L149-Y151 VanDerWaalsContact C-N 3.29Å; L149-Y151 PolarHBondContact O-N 3.37Å |
| 150 | C | 29.9 | Very low | 34.6 | Very low | 124 Ų | 124 | 139 Ų | 139 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | trans | -74.4 | 80.6 | 175.3 | -64.2 | 0 | 0 | 0 | 0 | 111.6 | T148 | T148-C150 PolarHBondContact O-N 3.46Å; T148-C150 VanDerWaalsContact O-N 3.15Å |
| 151 | Y | 35.4 | Very low | 34.6 | Very low | 206 Ų | 206 | 144 Ų | 144 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | | | trans | -103.3 | 149.3 | 147.4 | -88.7 | -92.4 | 0 | 0 | 0 | 109.1 | L149 | L149-Y151 VanDerWaalsContact C-N 3.29Å; L149-Y151 PolarHBondContact O-N 3.37Å |
| 152 | D | 33.6 | Very low | 35.4 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | | | trans | 65.6 | 176.2 | 175.2 | -54.5 | -38.8 | 0 | 0 | 0 | 117.7 | | |
| 153 | L | 35.7 | Very low | 35.2 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | 70 | 78.8 | -177.9 | -51.6 | -175.5 | 0 | 0 | 0 | 117.1 | | |
| 154 | C | 34.3 | Very low | 35.3 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 89% | 0.892 | 81% | 0.805 | S | S | * | * | | | trans | -138.7 | 75.5 | 145.1 | -87.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 155 | N | 34.7 | Very low | 35.7 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | | | trans | -142.8 | 41.7 | -178.5 | -161 | 53.9 | 0 | 0 | 0 | 112.4 | G157 | N155-G157 PolarHBondContact O-N 2.69Å; N155-G157 VanDerWaalsContact O-N 3.08Å |
| 156 | D | 37.9 | Very low | 35.9 | Very low | 155 Ų | 155 | 139.8 Ų | 139.8 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | | | trans | -78.6 | 87.5 | 177 | -67.7 | -60 | 0 | 0 | 0 | 111.3 | S158 | D156-S158 PolarHBondContact O-N 2.92Š|
| 157 | G | 36.9 | Very low | 36.1 | Very low | 81 Ų | 81 | 142 Ų | 142 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | | | trans | -85.4 | 78.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | N155 | N155-G157 PolarHBondContact O-N 2.69Å; N155-G157 VanDerWaalsContact O-N 3.08Å |
| 158 | S | 36.8 | Very low | 36.2 | Very low | 101 Ų | 101 | 140.6 Ų | 140.6 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | -153.6 | 119.7 | 166.1 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | D156 | D156-S158 PolarHBondContact O-N 2.92Š|
| 159 | C | 35.4 | Very low | 36.5 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | | | trans | 179.6 | 137.4 | 144.5 | -92.9 | 0 | 0 | 0 | 0 | 106.7 | | |
| 160 | Q | 36.8 | Very low | 36.7 | Very low | 190 Ų | 190 | 145.7 Ų | 145.7 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | trans | -88.2 | 138 | -176.7 | -70.6 | 157.5 | -110 | 0 | 0 | 110.8 | | |
| 161 | E | 34.8 | Very low | 36.9 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | | | trans | -68.9 | 137.3 | 157.4 | -72.8 | -85.7 | 107.8 | 0 | 0 | 109 | | |
| 162 | P | 51.8 | Low | 37 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | -103.8 | 106.8 | 158.5 | 33.2 | -22.6 | 0 | 0 | 0 | 110 | D164 | P162-D164 PolarHBondContact O-N 3.31Š|
| 163 | D | 33.9 | Very low | 37.1 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 81% | 0.807 | 82% | 0.822 | S | S | * | * | | | trans | -63.8 | 125.8 | 162.2 | -72.8 | -73.4 | 0 | 0 | 0 | 109.7 | | |
| 164 | D | 43.5 | Very low | 37.1 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | | | trans | -165.9 | 120 | 140.3 | -114.5 | -30 | 0 | 0 | 0 | 114.1 | P162 | P162-D164 PolarHBondContact O-N 3.31Š|
| 165 | L | 37.6 | Very low | 37.2 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 82% | 0.817 | 82% | 0.818 | S | S | * | * | | | trans | 61.2 | 133.3 | 154 | -65.7 | 163.6 | 0 | 0 | 0 | 121.7 | | |
| 166 | P | 35.8 | Very low | 37.5 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | | | trans | -94.2 | 157.1 | 179.5 | 37.8 | -35.5 | 0 | 0 | 0 | 114.1 | | |
| 167 | S | 34.5 | Very low | 37.7 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | -144.2 | 147.2 | 159.7 | -168.5 | 0 | 0 | 0 | 0 | 112 | | |
| 168 | V | 36.9 | Very low | 38.1 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | | | trans | -88.4 | 140.5 | 179.9 | 171.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 169 | Y | 36.9 | Very low | 38.7 | Very low | 205 Ų | 205 | 133.3 Ų | 133.3 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | | 175 | 119 | 127.5 | -90.9 | -62.6 | 0 | 0 | 0 | 113.8 | | |
| 170 | Q | 37.4 | Very low | 39.2 | Very low | 166 Ų | 166 | 131 Ų | 131 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | | | trans | 33 | 107.4 | 144.9 | -62.9 | 176 | 13.5 | 0 | 0 | 121.6 | | |
| 171 | T | 34 | Very low | 39.8 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | | | | 44.3 | 101.6 | 117.1 | -44 | 0 | 0 | 0 | 0 | 120.5 | | |
| 172 | A | 38.2 | Very low | 40.8 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | -169.3 | 135.5 | 131.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 173 | G | 35.6 | Very low | 41.8 | Very low | 90 Ų | 90 | 127.9 Ų | 127.9 | 93% | 0.928 | 77% | 0.77 | S | S | * | * | | | trans | 50 | 80.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 174 | G | 36.2 | Very low | 43.8 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | trans | -160.1 | 113.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V176 | G174-V176 PolarHBondContact O-N 2.81Š|
| 175 | A | 35.1 | Very low | 45.3 | Very low | 113 Ų | 113 | 129 Ų | 129 | 93% | 0.934 | 77% | 0.765 | S | S | * | * | | | trans | -86.6 | 88.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 176 | V | 42.4 | Very low | 47.3 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 122.6 | 175.2 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | G174 | G174-V176 PolarHBondContact O-N 2.81Š|
| 177 | A | 40.9 | Very low | 49.2 | Very low | 77 Ų | 77 | 126 Ų | 126 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 139.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T179 | A177-T179 PolarHBondContact O-N 3.47Š|
| 178 | P | 45.2 | Very low | 51.4 | Low | 127 Ų | 127 | 124 Ų | 124 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 116.9 | 177.8 | 27.5 | -33.8 | 0 | 0 | 0 | 110.9 | S180 | P178-S180 PolarHBondContact O-N 3.38Å; P178-S180 VanDerWaalsContact O-N 3.12Å |
| 179 | T | 49.6 | Very low | 53.5 | Low | 138 Ų | 138 | 123.5 Ų | 123.5 | 85% | 0.847 | 70% | 0.703 | S | S | * | * | | | trans | -69.1 | 106.9 | -174.9 | 41.9 | 0 | 0 | 0 | 0 | 111.8 | A177 R181 | A177-T179 PolarHBondContact O-N 3.47Å; T179-R181 PolarHBondContact O-N 3.29Å |
| 180 | S | 47.4 | Very low | 55.6 | Low | 87 Ų | 87 | 118.5 Ų | 118.5 | 61% | 0.608 | 69% | 0.687 | S | S | * | * | | | trans | -69.2 | 89.7 | -175.8 | 162.7 | 0 | 0 | 0 | 0 | 113.3 | P178 R187 | P178-S180 PolarHBondContact O-N 3.38Å; P178-S180 VanDerWaalsContact O-N 3.12Å; S180-R187 PolarHBondContact OG-NH2 3.2Å; S180-R187 VanDerWaalsContact OG-NH2 3.08Å |
| 181 | R | 47.7 | Very low | 57.4 | Low | 243 Ų | 243 | 114.5 Ų | 114.5 | 92% | 0.917 | 67% | 0.67 | S | S | * | * | | | trans | -99.9 | 35.9 | 151.2 | -74.3 | -168.3 | 175.8 | -174.9 | 0.7 | 112.5 | T179 S183 | T179-R181 PolarHBondContact O-N 3.29Å; R181-S183 PolarHBondContact O-N 2.85Å |
| 182 | Y | 55.8 | Low | 59.6 | Low | 114 Ų | 114 | 111.2 Ų | 111.2 | 45% | 0.447 | 65% | 0.645 | S | S | . | * | | | trans | -65.9 | 99.2 | 172.6 | -141.4 | -84.9 | 0 | 0 | 0 | 109.6 | Q186 R187 H190 | Y182-Q186 HydrophobicContact CD1-CB 3.83Å; Y182-Q186 HydrophobicContact CE1-CB 3.7Å; Y182-R187 HydrophobicContact CD1-CG 3.91Å; Y182-R187 PolarHBondContact O-NE 3.03Å; Y182-H190 PolarHBondContact OH-ND1 2.66Å |
| 183 | S | 72.9 | Confident | 61.6 | Low | 59 Ų | 59 | 110.8 Ų | 110.8 | 41% | 0.413 | 63% | 0.625 | S | S | . | * | | | trans | -56.4 | 146.2 | -167.8 | 172.4 | 0 | 0 | 0 | 0 | 112.2 | R181 R185 Q186 R187 | R181-S183 PolarHBondContact O-N 2.85Å; S183-R185 PolarHBondContact O-N 3.37Å; S183-R185 VanDerWaalsContact O-N 3.13Å; S183-R185 PolarHBondContact OG-N 3.5Å; S183-Q186 WeakPolarHBondContact O-CA 3.32Å; S183-Q186 WeakPolarHBondContact O-CB 3.36Å; S183-Q186 PolarHBondContact O-N 2.93Å; S183-R187 WeakPolarHBondContact O-CG 3.2Å; S183-R187 PolarHBondContact O-N 3.15Å |
| 184 | V | 75.8 | Confident | 63.5 | Low | 119 Ų | 119 | 113 Ų | 113 | 72% | 0.721 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -52.8 | -36.1 | 173.8 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | R187 L188 | V184-R187 PolarHBondContact O-N 3.28Å; V184-L188 WeakPolarHBondContact O-CB 3.23Å; V184-L188 PolarHBondContact O-N 3.04Å |
| 185 | R | 76.3 | Confident | 65.4 | Low | 202 Ų | 202 | 113 Ų | 113 | 76% | 0.762 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.5 | -42.3 | 175.3 | -169.8 | 175.5 | -178.6 | 177.7 | -0.1 | 112.6 | S183 L188 L189 | S183-R185 PolarHBondContact O-N 3.37Å; S183-R185 VanDerWaalsContact O-N 3.13Å; S183-R185 PolarHBondContact OG-N 3.5Å; R185-L188 PolarHBondContact O-N 3.26Å; R185-L189 WeakPolarHBondContact O-CG 2.94Å; R185-L189 PolarHBondContact O-N 3.4Å |
| 186 | Q | 78.2 | Confident | 67.2 | Low | 95 Ų | 95 | 115.8 Ų | 115.8 | 44% | 0.444 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.1 | -42 | 173.9 | -74.2 | 175 | -42.2 | 0 | 0 | 111.6 | Y182 S183 L188 L189 H190 | Y182-Q186 HydrophobicContact CD1-CB 3.83Å; Y182-Q186 HydrophobicContact CE1-CB 3.7Å; S183-Q186 WeakPolarHBondContact O-CA 3.32Å; S183-Q186 WeakPolarHBondContact O-CB 3.36Å; S183-Q186 PolarHBondContact O-N 2.93Å; Q186-L188 VanDerWaalsContact C-N 3.28Å; Q186-L188 PolarHBondContact O-N 2.93Å; Q186-L189 PolarHBondContact O-N 3.05Å; Q186-H190 WeakPolarHBondContact O-CB 3.43Å; Q186-H190 PolarHBondContact O-N 3.11Å |
| 187 | R | 76.8 | Confident | 68.7 | Low | 121 Ų | 121 | 114.1 Ų | 114.1 | 46% | 0.457 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.8 | -40.1 | 174.9 | -65 | -178.5 | -170.9 | -145.9 | -5.1 | 111.4 | S180 Y182 S183 V184 L191 | S180-R187 PolarHBondContact OG-NH2 3.2Å; S180-R187 VanDerWaalsContact OG-NH2 3.08Å; Y182-R187 HydrophobicContact CD1-CG 3.91Å; Y182-R187 PolarHBondContact O-NE 3.03Å; S183-R187 WeakPolarHBondContact O-CG 3.2Å; S183-R187 PolarHBondContact O-N 3.15Å; V184-R187 PolarHBondContact O-N 3.28Å; R187-L191 VanDerWaalsContact O-CB 3.29Å; R187-L191 WeakPolarHBondContact O-CB 3.35Å; R187-L191 PolarHBondContact O-N 3.04Å; R187-L191 VanDerWaalsContact O-N 3.11Å |
| 188 | L | 81.3 | Confident | 69.7 | Low | 83 Ų | 83 | 116 Ų | 116 | 44% | 0.435 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.7 | -49.1 | 176.7 | -155.4 | 83.7 | 0 | 0 | 0 | 111.4 | V184 R185 Q186 H190 L191 E192 | V184-L188 WeakPolarHBondContact O-CB 3.23Å; V184-L188 PolarHBondContact O-N 3.04Å; R185-L188 PolarHBondContact O-N 3.26Å; Q186-L188 VanDerWaalsContact C-N 3.28Å; Q186-L188 PolarHBondContact O-N 2.93Å; L188-H190 PolarHBondContact O-N 3.09Å; L188-L191 PolarHBondContact O-N 2.96Å; L188-L191 VanDerWaalsContact O-N 3.09Å; L188-E192 PolarHBondContact O-N 3.24Å |
| 189 | L | 80.7 | Confident | 70.3 | Confident | 101 Ų | 101 | 116 Ų | 116 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.5 | -45 | 176.4 | -72 | 170.4 | 0 | 0 | 0 | 111.9 | R185 Q186 L191 E192 Q193 | R185-L189 WeakPolarHBondContact O-CG 2.94Å; R185-L189 PolarHBondContact O-N 3.4Å; Q186-L189 PolarHBondContact O-N 3.05Å; L189-L191 PolarHBondContact O-N 3.13Å; L189-E192 PolarHBondContact O-N 2.98Å; L189-Q193 VanDerWaalsContact O-CB 3.3Å; L189-Q193 WeakPolarHBondContact O-CB 3.38Å; L189-Q193 PolarHBondContact O-N 3.19Å |
| 190 | H | 79.9 | Confident | 70.9 | Confident | 101 Ų | 101 | 111.9 Ų | 111.9 | 47% | 0.468 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.8 | -9.2 | 178.3 | -140 | 118.8 | 0 | 0 | 0 | 113.3 | Y182 Q186 L188 R194 | Y182-H190 PolarHBondContact OH-ND1 2.66Å; Q186-H190 WeakPolarHBondContact O-CB 3.43Å; Q186-H190 PolarHBondContact O-N 3.11Å; L188-H190 PolarHBondContact O-N 3.09Å; H190-R194 PolarHBondContact O-NE 3.18Å; H190-R194 PolarHBondContact O-NH2 3.46Å |
| 191 | L | 75.8 | Confident | 72 | Confident | 81 Ų | 81 | 111.9 Ų | 111.9 | 42% | 0.424 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -99.7 | -37.2 | 173.4 | -170.1 | 141.3 | 0 | 0 | 0 | 110.9 | R187 L188 L189 R194 I195 | R187-L191 VanDerWaalsContact O-CB 3.29Å; R187-L191 WeakPolarHBondContact O-CB 3.35Å; R187-L191 PolarHBondContact O-N 3.04Å; R187-L191 VanDerWaalsContact O-N 3.11Å; L188-L191 PolarHBondContact O-N 2.96Å; L188-L191 VanDerWaalsContact O-N 3.09Å; L189-L191 PolarHBondContact O-N 3.13Å; L191-R194 PolarHBondContact O-N 3.24Å; L191-I195 HydrophobicContact CD2-CD1 3.66Å; L191-I195 WeakPolarHBondContact O-CG1 3.4Å; L191-I195 PolarHBondContact O-N 3.37Å |
| 192 | E | 80.3 | Confident | 73 | Confident | 73 Ų | 73 | 105.9 Ų | 105.9 | 34% | 0.341 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 169.5 | -167.6 | -174.9 | 139.1 | 0 | 0 | 111.4 | L188 L189 R194 I195 R196 | L188-E192 PolarHBondContact O-N 3.24Å; L189-E192 PolarHBondContact O-N 2.98Å; E192-R194 VanDerWaalsContact C-N 3.35Å; E192-R194 PolarHBondContact O-N 2.73Å; E192-I195 WeakPolarHBondContact O-CB 3.39Å; E192-I195 PolarHBondContact O-N 3.29Å; E192-R196 WeakPolarHBondContact O-CG 3.49Å; E192-R196 PolarHBondContact O-N 2.94Å; E192-R196 IonicContact OE1-CZ 3.53Å; E192-R196 IonicContact OE1-NE 2.69Å; E192-R196 IonicContact OE1-NH2 2.7Å; E192-R196 PolarHBondContact OE1-NH2 2.91Å |
| 193 | Q | 80.4 | Confident | 73.8 | Confident | 93 Ų | 93 | 108.5 Ų | 108.5 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56 | -47.8 | 174 | -169 | 63.2 | 43.8 | 0 | 0 | 111 | L189 I195 R196 D197 | L189-Q193 VanDerWaalsContact O-CB 3.3Å; L189-Q193 WeakPolarHBondContact O-CB 3.38Å; L189-Q193 PolarHBondContact O-N 3.19Å; Q193-I195 VanDerWaalsContact C-N 3.27Å; Q193-I195 PolarHBondContact O-N 2.99Å; Q193-R196 WeakPolarHBondContact O-CB 3.37Å; Q193-R196 PolarHBondContact O-N 2.73Å; Q193-D197 WeakPolarHBondContact CG-OD2 3.33Å; Q193-D197 PolarHBondContact NE2-OD1 3.2Å; Q193-D197 PolarHBondContact NE2-OD2 3.06Å; Q193-D197 WeakPolarHBondContact O-CB 3.47Å; Q193-D197 PolarHBondContact O-N 2.97Å |
| 194 | R | 74.5 | Confident | 73.8 | Confident | 137 Ų | 137 | 107.3 Ų | 107.3 | 52% | 0.517 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -24.7 | 175.3 | -83.9 | -177.1 | -73.2 | 168.8 | -5.9 | 114.6 | H190 L191 E192 Q198 | H190-R194 PolarHBondContact O-NE 3.18Å; H190-R194 PolarHBondContact O-NH2 3.46Å; L191-R194 PolarHBondContact O-N 3.24Å; E192-R194 VanDerWaalsContact C-N 3.35Å; E192-R194 PolarHBondContact O-N 2.73Å; R194-Q198 PolarHBondContact O-N 2.93Å |
| 195 | I | 75.8 | Confident | 73.5 | Confident | 69 Ų | 69 | 104.3 Ų | 104.3 | 35% | 0.354 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.9 | -28.8 | 173.1 | -71.3 | 167.7 | 0 | 0 | 0 | 111.3 | L191 E192 Q193 L200 | L191-I195 HydrophobicContact CD2-CD1 3.66Å; L191-I195 WeakPolarHBondContact O-CG1 3.4Å; L191-I195 PolarHBondContact O-N 3.37Å; E192-I195 WeakPolarHBondContact O-CB 3.39Å; E192-I195 PolarHBondContact O-N 3.29Å; Q193-I195 VanDerWaalsContact C-N 3.27Å; Q193-I195 PolarHBondContact O-N 2.99Å; I195-L200 HydrophobicContact CG1-CD1 3.97Å |
| 196 | R | 73.4 | Confident | 73.4 | Confident | 171 Ų | 171 | 99.6 Ų | 99.6 | 65% | 0.645 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -73.8 | -42.5 | 170.5 | -61.4 | 176.1 | -171.2 | -161.1 | 4.7 | 111.5 | E192 Q193 Q198 | E192-R196 WeakPolarHBondContact O-CG 3.49Å; E192-R196 PolarHBondContact O-N 2.94Å; E192-R196 IonicContact OE1-CZ 3.53Å; E192-R196 IonicContact OE1-NE 2.69Å; E192-R196 IonicContact OE1-NH2 2.7Å; E192-R196 PolarHBondContact OE1-NH2 2.91Å; Q193-R196 WeakPolarHBondContact O-CB 3.37Å; Q193-R196 PolarHBondContact O-N 2.73Å; R196-Q198 PolarHBondContact O-N 2.91Å |
| 197 | D | 73.2 | Confident | 73.1 | Confident | 105 Ų | 105 | 98.5 Ų | 98.5 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -85.4 | -3.7 | -169.5 | -58.4 | -18.6 | 0 | 0 | 0 | 114 | Q193 | Q193-D197 WeakPolarHBondContact CG-OD2 3.33Å; Q193-D197 PolarHBondContact NE2-OD1 3.2Å; Q193-D197 PolarHBondContact NE2-OD2 3.06Å; Q193-D197 WeakPolarHBondContact O-CB 3.47Å; Q193-D197 PolarHBondContact O-N 2.97Å |
| 198 | Q | 63.5 | Low | 72.9 | Confident | 118 Ų | 118 | 96.7 Ų | 96.7 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -128.7 | 131.3 | 173.6 | -67.4 | -162.9 | 0.4 | 0 | 0 | 112.8 | R194 R196 L200 | R194-Q198 PolarHBondContact O-N 2.93Å; R196-Q198 PolarHBondContact O-N 2.91Å; Q198-L200 VanDerWaalsContact C-N 3.25Å; Q198-L200 PolarHBondContact O-N 3.22Å |
| 199 | P | 57.7 | Low | 72.4 | Confident | 126 Ų | 126 | 96.6 Ų | 96.6 | 82% | 0.818 | 48% | 0.484 | S | S | * | . | | | trans | -72 | 82.3 | 167.5 | 31.1 | -33.9 | 0 | 0 | 0 | 109.9 | T201 | P199-T201 PolarHBondContact O-N 3.3Š|
| 200 | L | 62.5 | Low | 72 | Confident | 51 Ų | 51 | 97 Ų | 97 | 27% | 0.267 | 48% | 0.484 | S | S | . | . | | | trans | -62.6 | 93.4 | 174.8 | -73.8 | 174.2 | 0 | 0 | 0 | 110.1 | I195 Q198 L205 | I195-L200 HydrophobicContact CG1-CD1 3.97Å; Q198-L200 VanDerWaalsContact C-N 3.25Å; Q198-L200 PolarHBondContact O-N 3.22Å; L200-L205 HydrophobicContact CB-CG 4.49Å; L200-L205 HydrophobicContact CD1-CD2 4.49Å |
| 201 | T | 68.6 | Low | 71.4 | Confident | 88 Ų | 88 | 95.5 Ų | 95.5 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | | | trans | -52.6 | 144.4 | -179.4 | 65.5 | 0 | 0 | 0 | 0 | 111.2 | P199 K203 S204 L205 | P199-T201 PolarHBondContact O-N 3.3Å; T201-K203 PolarHBondContact O-N 2.96Å; T201-S204 WeakPolarHBondContact O-CA 3.37Å; T201-S204 WeakPolarHBondContact O-CB 3.32Å; T201-S204 PolarHBondContact O-N 2.67Å; T201-S204 PolarHBondContact O-OG 2.89Å; T201-L205 PolarHBondContact O-N 2.99Å |
| 202 | L | 68.8 | Low | 70.4 | Confident | 116 Ų | 116 | 94.2 Ų | 94.2 | 61% | 0.607 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -49.3 | -38 | -177.6 | -161.7 | 165.4 | 0 | 0 | 0 | 112.5 | S204 L205 Q206 | L202-S204 VanDerWaalsContact C-N 3.32Å; L202-S204 PolarHBondContact O-N 2.72Å; L202-L205 PolarHBondContact O-N 3.48Å; L202-Q206 WeakPolarHBondContact O-CB 3.47Å; L202-Q206 PolarHBondContact O-N 3.43Å |
| 203 | K | 74 | Confident | 69.2 | Low | 170 Ų | 170 | 97.6 Ų | 97.6 | 74% | 0.739 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.2 | -36.8 | 175.1 | -64.4 | -176.8 | 179.3 | -179.7 | 0 | 113.5 | T201 S207 | T201-K203 PolarHBondContact O-N 2.96Å; K203-S207 WeakPolarHBondContact O-CB 3.47Å; K203-S207 PolarHBondContact O-N 2.76Å |
| 204 | S | 72.2 | Confident | 67.7 | Low | 34 Ų | 34 | 102.1 Ų | 102.1 | 24% | 0.238 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -69.1 | -46 | 177.1 | 70.1 | 0 | 0 | 0 | 0 | 111.9 | T201 L202 Q206 S207 I208 | T201-S204 WeakPolarHBondContact O-CA 3.37Å; T201-S204 WeakPolarHBondContact O-CB 3.32Å; T201-S204 PolarHBondContact O-N 2.67Å; T201-S204 PolarHBondContact O-OG 2.89Å; L202-S204 VanDerWaalsContact C-N 3.32Å; L202-S204 PolarHBondContact O-N 2.72Å; S204-Q206 VanDerWaalsContact C-N 3.35Å; S204-Q206 PolarHBondContact O-N 2.93Å; S204-S207 WeakPolarHBondContact O-CB 3.44Å; S204-S207 PolarHBondContact O-N 3.32Å; S204-I208 WeakPolarHBondContact O-CG1 3.49Å; S204-I208 PolarHBondContact O-N 3.25Å |
| 205 | L | 70.2 | Confident | 66.2 | Low | 56 Ų | 56 | 99.3 Ų | 99.3 | 29% | 0.293 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 175.5 | -67.7 | 172.8 | 0 | 0 | 0 | 111.6 | L200 T201 L202 I208 L209 | L200-L205 HydrophobicContact CB-CG 4.49Å; L200-L205 HydrophobicContact CD1-CD2 4.49Å; T201-L205 PolarHBondContact O-N 2.99Å; L202-L205 PolarHBondContact O-N 3.48Å; L205-I208 PolarHBondContact O-N 2.94Å; L205-L209 WeakPolarHBondContact O-CB 3.24Å; L205-L209 PolarHBondContact O-N 3.42Å |
| 206 | Q | 73.3 | Confident | 64.5 | Low | 102 Ų | 102 | 101 Ų | 101 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 174.1 | -171.8 | 179 | 7.7 | 0 | 0 | 111.9 | L202 S204 L209 M210 | L202-Q206 WeakPolarHBondContact O-CB 3.47Å; L202-Q206 PolarHBondContact O-N 3.43Å; S204-Q206 VanDerWaalsContact C-N 3.35Å; S204-Q206 PolarHBondContact O-N 2.93Å; Q206-L209 PolarHBondContact O-N 3.19Å; Q206-M210 WeakPolarHBondContact O-CB 3.38Å; Q206-M210 VanDerWaalsContact O-CG 3.3Å; Q206-M210 WeakPolarHBondContact O-CG 3.45Å; Q206-M210 PolarHBondContact O-N 3.13Å |
| 207 | S | 72.5 | Confident | 62.8 | Low | 72 Ų | 72 | 100 Ų | 100 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 175.4 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | K203 S204 M210 S211 | K203-S207 WeakPolarHBondContact O-CB 3.47Å; K203-S207 PolarHBondContact O-N 2.76Å; S204-S207 WeakPolarHBondContact O-CB 3.44Å; S204-S207 PolarHBondContact O-N 3.32Å; S207-M210 PolarHBondContact O-N 3.43Å; S207-S211 WeakPolarHBondContact O-CB 3.48Å; S207-S211 PolarHBondContact O-N 3.44Å; S207-S211 PolarHBondContact O-OG 3.46Å |
| 208 | I | 72 | Confident | 61.4 | Low | 84 Ų | 84 | 98.5 Ų | 98.5 | 43% | 0.431 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 176.2 | -66.6 | 162.8 | 0 | 0 | 0 | 110.1 | S204 L205 M210 S211 S212 | S204-I208 WeakPolarHBondContact O-CG1 3.49Å; S204-I208 PolarHBondContact O-N 3.25Å; L205-I208 PolarHBondContact O-N 2.94Å; I208-M210 PolarHBondContact O-N 3.25Å; I208-S211 PolarHBondContact O-N 3.23Å; I208-S212 PolarHBondContact O-N 3.47Å; I208-S212 VanDerWaalsContact O-N 3.13Å; I208-S212 PolarHBondContact O-OG 3.42Å |
| 209 | L | 71.5 | Confident | 60.3 | Low | 81 Ų | 81 | 99 Ų | 99 | 42% | 0.424 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | -178.5 | -163.3 | 82.7 | 0 | 0 | 0 | 112.8 | L205 Q206 V343 | L205-L209 WeakPolarHBondContact O-CB 3.24Å; L205-L209 PolarHBondContact O-N 3.42Å; Q206-L209 PolarHBondContact O-N 3.19Å; L209-V343 HydrophobicContact CD1-CG1 3.86Å |
| 210 | M | 71.7 | Confident | 59.7 | Low | 108 Ų | 108 | 100.3 Ų | 100.3 | 53% | 0.532 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73.7 | -31.6 | 177.5 | -69.6 | -60.7 | -161.7 | 0 | 0 | 112.5 | Q206 S207 I208 K213 | Q206-M210 WeakPolarHBondContact O-CB 3.38Å; Q206-M210 VanDerWaalsContact O-CG 3.3Å; Q206-M210 WeakPolarHBondContact O-CG 3.45Å; Q206-M210 PolarHBondContact O-N 3.13Å; S207-M210 PolarHBondContact O-N 3.43Å; I208-M210 PolarHBondContact O-N 3.25Å; M210-K213 PolarHBondContact O-N 3.01Å; M210-K213 HydrophobicContact SD-CD 4.43Å |
| 211 | S | 66.8 | Low | 58.6 | Low | 70 Ų | 70 | 104.8 Ų | 104.8 | 49% | 0.49 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.1 | -44.3 | 175.6 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | S207 I208 K213 K214 | S207-S211 WeakPolarHBondContact O-CB 3.48Å; S207-S211 PolarHBondContact O-N 3.44Å; S207-S211 PolarHBondContact O-OG 3.46Å; I208-S211 PolarHBondContact O-N 3.23Å; S211-K213 VanDerWaalsContact C-N 3.29Å; S211-K213 PolarHBondContact O-N 2.97Å; S211-K214 PolarHBondContact O-N 3.29Å |
| 212 | S | 55.5 | Low | 57.1 | Low | 54 Ų | 54 | 105.1 Ų | 105.1 | 38% | 0.378 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.8 | -31.1 | 179.2 | -57.6 | 0 | 0 | 0 | 0 | 113.5 | I208 K214 I215 | I208-S212 PolarHBondContact O-N 3.47Å; I208-S212 VanDerWaalsContact O-N 3.13Å; I208-S212 PolarHBondContact O-OG 3.42Å; S212-K214 PolarHBondContact O-N 3.34Å; S212-K214 VanDerWaalsContact O-N 3.15Å; S212-I215 PolarHBondContact O-N 2.79Å |
| 213 | K | 54.3 | Low | 55.6 | Low | 145 Ų | 145 | 107.9 Ų | 107.9 | 63% | 0.63 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -16.2 | -177.8 | -83.9 | -176.9 | 174.3 | -177.3 | 0 | 115.1 | M210 S211 | M210-K213 PolarHBondContact O-N 3.01Å; M210-K213 HydrophobicContact SD-CD 4.43Å; S211-K213 VanDerWaalsContact C-N 3.29Å; S211-K213 PolarHBondContact O-N 2.97Å |
| 214 | K | 48.6 | Very low | 53.9 | Low | 187 Ų | 187 | 105.3 Ų | 105.3 | 81% | 0.813 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -11.3 | 176.4 | -77.8 | -170.4 | 172.7 | -175 | 0 | 114.7 | S211 S212 | S211-K214 PolarHBondContact O-N 3.29Å; S212-K214 PolarHBondContact O-N 3.34Å; S212-K214 VanDerWaalsContact O-N 3.15Å |
| 215 | I | 43.6 | Very low | 52.1 | Low | 78 Ų | 78 | 109.7 Ų | 109.7 | 40% | 0.4 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.1 | -21.6 | -170 | -59.5 | 175.6 | 0 | 0 | 0 | 112.1 | S212 L217 S218 | S212-I215 PolarHBondContact O-N 2.79Å; I215-L217 PolarHBondContact O-N 3.02Å; I215-L217 VanDerWaalsContact O-N 3.11Å; I215-S218 PolarHBondContact O-OG 3.35Å |
| 216 | C | 39.9 | Very low | 50.6 | Low | 106 Ų | 106 | 112.5 Ų | 112.5 | 72% | 0.716 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 11.7 | -175.6 | -56.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 217 | L | 39.2 | Very low | 49.2 | Very low | 150 Ų | 150 | 113.2 Ų | 113.2 | 79% | 0.785 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | 0.8 | -176.3 | -69.3 | 177.5 | 0 | 0 | 0 | 114.5 | I215 | I215-L217 PolarHBondContact O-N 3.02Å; I215-L217 VanDerWaalsContact O-N 3.11Å |
| 218 | S | 43 | Very low | 47.5 | Very low | 73 Ų | 73 | 113 Ų | 113 | 51% | 0.51 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -105.4 | -0.8 | -175.7 | 55.5 | 0 | 0 | 0 | 0 | 115.2 | I215 | I215-S218 PolarHBondContact O-OG 3.35Š|
| 219 | N | 41.3 | Very low | 46.3 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 68% | 0.679 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -118.5 | 23.9 | -162.9 | -63.2 | 10.9 | 0 | 0 | 0 | 113.6 | | |
| 220 | L | 43.4 | Very low | 45 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 81% | 0.812 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -120.8 | -19 | 179.4 | -87.3 | 159.4 | 0 | 0 | 0 | 114 | S222 | L220-S222 PolarHBondContact O-N 3.11Š|
| 221 | D | 39.2 | Very low | 43.8 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -96.5 | 38.4 | -172.4 | -55.5 | -42.8 | 0 | 0 | 0 | 113.3 | | |
| 222 | S | 39 | Very low | 42.9 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | trans | -144.9 | 21 | -167.7 | -54.5 | 0 | 0 | 0 | 0 | 116.4 | L220 | L220-S222 PolarHBondContact O-N 3.11Š|
| 223 | L | 37.1 | Very low | 42.3 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -136.7 | 52.9 | -176 | -69.2 | 176 | 0 | 0 | 0 | 113.9 | | |
| 224 | S | 37.6 | Very low | 42 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | trans | -159.6 | 54.4 | 175 | 63.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 225 | S | 35 | Very low | 41.7 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 88% | 0.881 | 77% | 0.765 | S | S | * | * | | | trans | -154.4 | 116.7 | 166.9 | -73.8 | 0 | 0 | 0 | 0 | 112 | | |
| 226 | S | 39 | Very low | 41.8 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -170.8 | 151.8 | 166.1 | -168.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 227 | S | 42.1 | Very low | 42.1 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | trans | 58.3 | 142.8 | -168.4 | 42.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 228 | G | 38.1 | Very low | 42.3 | Very low | 68 Ų | 68 | 127.2 Ų | 127.2 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | cis | 102.1 | 137.1 | 24.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 229 | E | 47.3 | Very low | 42.4 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | cis | -145.1 | 127.8 | 16.8 | -62 | 168 | 166.5 | 0 | 0 | 107.9 | | |
| 230 | E | 43 | Very low | 42.9 | Very low | 192 Ų | 192 | 133.5 Ų | 133.5 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | | | | 61.4 | 102.8 | 99.6 | -63 | -172.7 | -148.5 | 0 | 0 | 117.5 | | |
| 231 | S | 46.8 | Very low | 42.9 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | -165.5 | 136.4 | 146.3 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 232 | D | 47.2 | Very low | 43.2 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | | | trans | -87.6 | 153.2 | -177 | -57 | -80.6 | 0 | 0 | 0 | 113.8 | | |
| 233 | F | 44.7 | Very low | 43.5 | Very low | 217 Ų | 217 | 132.8 Ų | 132.8 | 95% | 0.952 | 81% | 0.81 | S | S | * | * | | | trans | -157.5 | 133.2 | 133 | -107.9 | -69.9 | 0 | 0 | 0 | 112 | | |
| 234 | S | 46.3 | Very low | 44 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | trans | -79.3 | 175.2 | 173 | -38 | 0 | 0 | 0 | 0 | 111 | | |
| 235 | S | 43.3 | Very low | 44.4 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | | | cis | -165 | 160.5 | 12.1 | -161.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 236 | S | 46.4 | Very low | 44.8 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | 65.3 | 151.1 | 144.8 | -64.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 237 | S | 44.5 | Very low | 45.2 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | cis | -167.1 | 159.8 | -13 | -93.9 | 0 | 0 | 0 | 0 | 110 | | |
| 238 | A | 44.4 | Very low | 45.2 | Very low | 85 Ų | 85 | 144.9 Ų | 144.9 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | | | trans | 48.8 | 113.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 239 | L | 45.1 | Very low | 45.5 | Very low | 161 Ų | 161 | 153 Ų | 153 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | | | | 57.7 | 114.9 | 84.3 | -67.4 | 170.6 | 0 | 0 | 0 | 115.4 | | |
| 240 | I | 52.1 | Low | 45.2 | Very low | 171 Ų | 171 | 151.6 Ų | 151.6 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | | | | -154.3 | 146.2 | 103.7 | -32.7 | 178.1 | 0 | 0 | 0 | 109.1 | | |
| 241 | D | 42.3 | Very low | 45.3 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | | | trans | -76.9 | 157.7 | 166.2 | -88.1 | -66.1 | 0 | 0 | 0 | 113.2 | | |
| 242 | G | 47 | Very low | 45.3 | Very low | 76 Ų | 76 | 150.8 Ų | 150.8 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | trans | -179.7 | 85.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 243 | D | 43.3 | Very low | 45.2 | Very low | 141 Ų | 141 | 148.3 Ų | 148.3 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | | | trans | -76.9 | 129.4 | 176.2 | 177.6 | 24.5 | 0 | 0 | 0 | 112.3 | | |
| 244 | H | 49.5 | Very low | 45.3 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | | | trans | -158.7 | 150.2 | 155.8 | -124.3 | -81.6 | 0 | 0 | 0 | 113.5 | | |
| 245 | R | 45.9 | Very low | 45.3 | Very low | 200 Ų | 200 | 142.8 Ų | 142.8 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -98.1 | 159.4 | -163.5 | -53.9 | -177.6 | -176.5 | 175.9 | 0.6 | 116.5 | | |
| 246 | D | 41.8 | Very low | 45.5 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | 54 | 123.8 | 144.9 | -67.9 | -46.9 | 0 | 0 | 0 | 120.5 | | |
| 247 | V | 48.1 | Very low | 45.3 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | | -169.7 | 147.8 | 117.4 | 138.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 248 | R | 42 | Very low | 45.4 | Very low | 225 Ų | 225 | 145 Ų | 145 | 85% | 0.849 | 79% | 0.791 | S | S | * | * | | | trans | -60.1 | 150.2 | 178.6 | -54.5 | 155.8 | 168.4 | 157.2 | -8.5 | 114.6 | | |
| 249 | R | 44.9 | Very low | 45.4 | Very low | 237 Ų | 237 | 145.5 Ų | 145.5 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | | | | 178.3 | 156.6 | 104.6 | -97.2 | 173.3 | -174.2 | 132.8 | -1.3 | 114.9 | | |
| 250 | N | 40.3 | Very low | 45.2 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -74.3 | 155.3 | 173.7 | -54.9 | -9.7 | 0 | 0 | 0 | 112.4 | | |
| 251 | S | 45.8 | Very low | 45.1 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | | 174.1 | 146.3 | 104.9 | -75.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 252 | K | 46.5 | Very low | 45 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | 26.3 | 146.6 | 134.4 | -63.2 | 179.9 | 177.7 | -178.3 | 0 | 120.2 | | |
| 253 | S | 45 | Very low | 44.8 | Very low | 98 Ų | 98 | 144.2 Ų | 144.2 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | | | cis | -179.7 | -176.1 | -2.4 | 47.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 254 | S | 47.5 | Very low | 44.7 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | 72.5 | 165.9 | 163.7 | 68.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 255 | S | 45.5 | Very low | 44.4 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | | -177.5 | 153.3 | -67.7 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 256 | S | 47.2 | Very low | 44.1 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | | | trans | 87.2 | 159.2 | 154.7 | -52.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 257 | D | 43.4 | Very low | 44.1 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | | | trans | 70.1 | 126.1 | 167.2 | -56.2 | -41.5 | 0 | 0 | 0 | 118.3 | | |
| 258 | S | 46.8 | Very low | 43.7 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | cis | 85.6 | 142.4 | 37.8 | 92.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 259 | A | 42.7 | Very low | 43.8 | Very low | 96 Ų | 96 | 134 Ų | 134 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | | | cis | -146.7 | -162.2 | 6.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 260 | V | 42.7 | Very low | 43.8 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | trans | -83.5 | 165.1 | -169 | -69.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 261 | S | 49.5 | Very low | 43.8 | Very low | 128 Ų | 128 | 132 Ų | 132 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | | | trans | -153 | 162 | 161.5 | -72.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 262 | D | 39.6 | Very low | 43.6 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | -154.8 | -177.2 | -163.1 | -170.2 | 21.1 | 0 | 0 | 0 | 112.8 | | |
| 263 | L | 44.1 | Very low | 43.4 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | 83.6 | 99.3 | 168.6 | -54 | -176.2 | 0 | 0 | 0 | 116 | | |
| 264 | T | 40.3 | Very low | 43.3 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | | 72.2 | 127.9 | 81.3 | 63 | 0 | 0 | 0 | 0 | 117 | | |
| 265 | A | 42.5 | Very low | 43.2 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | | 165.2 | 163 | 123.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 266 | S | 40.7 | Very low | 43 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | 81.4 | 75.3 | 147.3 | -62.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 267 | S | 40.4 | Very low | 42.8 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | | -3.6 | 143.7 | 129.5 | -41.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 268 | R | 41 | Very low | 42.6 | Very low | 252 Ų | 252 | 136.6 Ų | 136.6 | 95% | 0.951 | 79% | 0.79 | S | S | * | * | | | trans | -162.2 | 165 | 138.7 | -115.3 | 171.8 | -175.5 | -160.2 | -0.1 | 114.1 | | |
| 269 | T | 42.9 | Very low | 42.4 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -140.8 | 151.9 | -167.6 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 270 | S | 45 | Very low | 42.4 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | trans | 155.8 | 172.9 | 152.7 | 49.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 271 | R | 40.4 | Very low | 42.4 | Very low | 222 Ų | 222 | 135.9 Ų | 135.9 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | cis | -170 | 101.6 | -49.8 | -175.8 | -174.5 | 178.8 | -175.4 | 2.3 | 112.2 | | |
| 272 | T | 42.1 | Very low | 42.2 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | 60.9 | 148.9 | 155.3 | 66.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 273 | K | 42.8 | Very low | 42.3 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | | | | 142.4 | 119.4 | 107.6 | -165 | 167.9 | -176.8 | 179.3 | 0 | 119.1 | | |
| 274 | R | 42.2 | Very low | 42.2 | Very low | 188 Ų | 188 | 131.1 Ų | 131.1 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | | | trans | 86.7 | 127.9 | 142.5 | -83.1 | 178.3 | 168.9 | -171.5 | -5.6 | 127 | | |
| 275 | H | 44.9 | Very low | 42.3 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | | 81.2 | 147.1 | 130 | -66.5 | -39.8 | 0 | 0 | 0 | 126.2 | | |
| 276 | G | 42.2 | Very low | 42.2 | Very low | 65 Ų | 65 | 133.5 Ų | 133.5 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | | | trans | 131.2 | 108 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 277 | V | 42.5 | Very low | 42.3 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 93% | 0.933 | 79% | 0.79 | S | S | * | * | | | cis | 55.2 | 138.4 | 45.3 | -65.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 278 | A | 38.9 | Very low | 42.7 | Very low | 85 Ų | 85 | 134.1 Ų | 134.1 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | | | cis | -174.4 | 176.3 | -19.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 279 | S | 44.1 | Very low | 42.6 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | 73.6 | 160.9 | 167.9 | -52.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 280 | S | 42.4 | Very low | 42.5 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | cis | -162.6 | 142.7 | -5.2 | 35.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 281 | S | 41.7 | Very low | 42.2 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | | 60.9 | 145.2 | 66 | 77.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 282 | V | 46.7 | Very low | 42.1 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | | | cis | -154.4 | 148.7 | 20.6 | -170.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 283 | G | 40.2 | Very low | 41.7 | Very low | 74 Ų | 74 | 135.5 Ų | 135.5 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | | | trans | 101.9 | 169.6 | 143.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 284 | A | 42.3 | Very low | 41.8 | Very low | 86 Ų | 86 | 132.3 Ų | 132.3 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | cis | -175.9 | 153.3 | -21.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 285 | T | 42.3 | Very low | 41.6 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | | | trans | 63.1 | 158.3 | 150.8 | 46.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 286 | T | 40.4 | Very low | 41.3 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | cis | -156.2 | 175.2 | -6.1 | -105.3 | 0 | 0 | 0 | 0 | 111 | | |
| 287 | V | 43.4 | Very low | 41.2 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | trans | -114.5 | -161.1 | -161.5 | -135.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 288 | P | 48.6 | Very low | 41 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -123.5 | -177 | -134.8 | 44.9 | -26.8 | 0 | 0 | 0 | 117 | | |
| 289 | F | 38.4 | Very low | 41.1 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | trans | -159 | 178.9 | 164.4 | -130.3 | -98.4 | 0 | 0 | 0 | 112.2 | | |
| 290 | R | 41.1 | Very low | 41 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | | | | -166.6 | 150.9 | -84.4 | -156.6 | -172.6 | -160.9 | -113.5 | 5.8 | 108.4 | | |
| 291 | R | 39.6 | Very low | 40.8 | Very low | 200 Ų | 200 | 131.7 Ų | 131.7 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | 71.2 | 156.4 | 171.3 | -67.9 | 173.2 | 168.5 | 151.5 | -7.5 | 115.8 | | |
| 292 | S | 37.2 | Very low | 40.7 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | cis | -163.8 | 157.8 | -9 | 37.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 293 | F | 33.5 | Very low | 40.5 | Very low | 199 Ų | 199 | 134 Ų | 134 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | | | trans | -71.4 | -177.7 | 158.8 | -78.6 | -84.5 | 0 | 0 | 0 | 111.6 | | |
| 294 | P | 45.4 | Very low | 40.2 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | | | cis | -145.7 | -176.5 | 14.7 | 40.4 | -17.8 | 0 | 0 | 0 | 119.3 | | |
| 295 | E | 38 | Very low | 40.4 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | | | trans | 83.5 | 152.1 | 134.7 | -104 | -179.5 | 90.9 | 0 | 0 | 125.9 | | |
| 296 | Q | 39.3 | Very low | 40.3 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | 71.3 | 147.3 | 156.1 | -69.4 | 168 | 40.3 | 0 | 0 | 119.2 | | |
| 297 | A | 38.7 | Very low | 40.7 | Very low | 78 Ų | 78 | 144.1 Ų | 144.1 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | | | cis | -168 | 137 | -16.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 298 | V | 38.4 | Very low | 40.5 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | | | trans | 66 | 166.8 | 137.3 | -176.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 299 | V | 42.2 | Very low | 40.1 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | trans | 84.6 | 137.4 | 171.7 | -167.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 300 | V | 40.1 | Very low | 40.4 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | | | | -176 | 149.7 | -50.4 | 136.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 301 | A | 40 | Very low | 40.3 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | | | trans | 50.2 | 112.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 302 | S | 38 | Very low | 40.4 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | | 71 | 124.9 | 83 | -57.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 303 | M | 42.3 | Very low | 40.6 | Very low | 185 Ų | 185 | 137 Ų | 137 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | | | | -165.3 | 155.9 | 120.2 | -99.6 | -166.3 | 87.6 | 0 | 0 | 110.7 | | |
| 304 | E | 35.9 | Very low | 41 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | trans | -91.4 | 148.3 | -169.1 | -52.5 | 158 | 104.5 | 0 | 0 | 113.2 | | |
| 305 | K | 45.3 | Very low | 41.1 | Very low | 203 Ų | 203 | 133 Ų | 133 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | | -166.5 | 132.7 | 122.7 | -115.9 | 167.7 | -178.5 | 169.3 | 0 | 115.1 | | |
| 306 | T | 40.6 | Very low | 41.8 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -125.1 | -175.1 | 163.2 | 55.3 | 0 | 0 | 0 | 0 | 108 | | |
| 307 | P | 47.7 | Very low | 42.3 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | | -122.2 | 174.4 | -68.6 | 37.2 | -24.7 | 0 | 0 | 0 | 111.7 | | |
| 308 | S | 39.9 | Very low | 42.7 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | | | trans | -152.4 | 152.1 | 161.2 | -170.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 309 | A | 41.4 | Very low | 43.2 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -114.4 | 127.5 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 310 | A | 43.2 | Very low | 43.6 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 88% | 0.876 | 77% | 0.772 | S | S | * | * | | | trans | -160.9 | 152.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 311 | G | 38.7 | Very low | 43.9 | Very low | 61 Ų | 61 | 134.9 Ų | 134.9 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | | | cis | 155.5 | 94.5 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 312 | Y | 43 | Very low | 44 | Very low | 241 Ų | 241 | 139.4 Ų | 139.4 | 95% | 0.945 | 77% | 0.768 | S | S | * | * | | | trans | 79.8 | 151.5 | 165 | -57.3 | -80.4 | 0 | 0 | 0 | 121.5 | | |
| 313 | D | 40.9 | Very low | 44.4 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | trans | 69 | 88.6 | 155.1 | -152.8 | 12.7 | 0 | 0 | 0 | 121.8 | | |
| 314 | C | 41.8 | Very low | 44.5 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | | | trans | -138.3 | -5.2 | 158.3 | -81.6 | 0 | 0 | 0 | 0 | 114.5 | L316 | C314-L316 PolarHBondContact O-N 3.15Š|
| 315 | D | 47.3 | Very low | 44.8 | Very low | 102 Ų | 102 | 138 Ų | 138 | 55% | 0.545 | 74% | 0.739 | S | S | . | * | H | α-helix | trans | -76.8 | -20.9 | -159.1 | -170.6 | 48.9 | 0 | 0 | 0 | 115.1 | K317 | D315-K317 PolarHBondContact O-N 2.92Å |
| 316 | L | 52.3 | Low | 44.6 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -78.6 | -17.1 | -173.9 | -117 | 70.9 | 0 | 0 | 0 | 115.4 | C314 | C314-L316 PolarHBondContact O-N 3.15Å |
| 317 | K | 50.4 | Low | 44.8 | Very low | 186 Ų | 186 | 130.6 Ų | 130.6 | 81% | 0.809 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -88.4 | -39.4 | -178.5 | -74.5 | 177 | 179.6 | 169.7 | 0 | 113 | D315 R319 K320 | D315-K317 PolarHBondContact O-N 2.92Å; K317-R319 VanDerWaalsContact C-N 3.34Å; K317-R319 PolarHBondContact O-N 2.88Å; K317-K320 PolarHBondContact O-N 3.45Å |
| 318 | C | 47.9 | Very low | 44.5 | Very low | 90 Ų | 90 | 130 Ų | 130 | 61% | 0.608 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -62.3 | -37.9 | 179.9 | -70.3 | 0 | 0 | 0 | 0 | 113.1 | K320 A321 F322 | C318-K320 PolarHBondContact O-N 3.11Å; C318-K320 VanDerWaalsContact O-N 3.12Å; C318-A321 PolarHBondContact O-N 3.34Å; C318-A321 VanDerWaalsContact O-N 3.16Å; C318-F322 PolarHBondContact O-N 3.49Å; C318-F322 VanDerWaalsContact O-N 3.15Å |
| 319 | R | 47.8 | Very low | 44.5 | Very low | 173 Ų | 173 | 130 Ų | 130 | 65% | 0.653 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -65.2 | -15 | -177.1 | -65.8 | 179.4 | 71.9 | -177.9 | 2.9 | 114.9 | K317 | K317-R319 VanDerWaalsContact C-N 3.34Å; K317-R319 PolarHBondContact O-N 2.88Å |
| 320 | K | 51.6 | Low | 44.5 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 76% | 0.757 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -92 | -33.2 | 171.9 | -78.2 | -173.8 | 176.7 | 178.6 | 0 | 113.5 | K317 C318 | K317-K320 PolarHBondContact O-N 3.45Å; C318-K320 PolarHBondContact O-N 3.11Å; C318-K320 VanDerWaalsContact O-N 3.12Å |
| 321 | A | 46.7 | Very low | 44.4 | Very low | 69 Ų | 69 | 131.2 Ų | 131.2 | 57% | 0.57 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -65.5 | -41 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C318 R323 R324 | C318-A321 PolarHBondContact O-N 3.34Å; C318-A321 VanDerWaalsContact O-N 3.16Å; A321-R323 VanDerWaalsContact C-N 3.29Å; A321-R323 PolarHBondContact O-N 3.48Å; A321-R324 PolarHBondContact O-N 3.07Å |
| 322 | F | 41.6 | Very low | 44.3 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -67.5 | -21.4 | -175.4 | -150.3 | -92 | 0 | 0 | 0 | 114.6 | C318 | C318-F322 PolarHBondContact O-N 3.49Å; C318-F322 VanDerWaalsContact O-N 3.15Å |
| 323 | R | 46.1 | Very low | 43.9 | Very low | 184 Ų | 184 | 131 Ų | 131 | 69% | 0.694 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -72.4 | -45 | 175.5 | -73 | -162.4 | -173.7 | -163.6 | 3.4 | 113 | A321 S325 A326 E327 | A321-R323 VanDerWaalsContact C-N 3.29Å; A321-R323 PolarHBondContact O-N 3.48Å; R323-S325 VanDerWaalsContact C-N 3.34Å; R323-S325 PolarHBondContact O-N 2.94Å; R323-A326 WeakPolarHBondContact O-CB 3.43Å; R323-A326 PolarHBondContact O-N 3.43Å; R323-E327 PolarHBondContact O-N 3.25Å |
| 324 | R | 44 | Very low | 43.8 | Very low | 189 Ų | 189 | 128 Ų | 128 | 71% | 0.713 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -61.3 | -43 | -178 | -72.6 | -179 | 170.7 | 169.9 | -4.9 | 111.8 | A321 A326 E327 D328 | A321-R324 PolarHBondContact O-N 3.07Å; R324-A326 PolarHBondContact O-N 2.83Å; R324-E327 PolarHBondContact O-N 2.89Å; R324-D328 PolarHBondContact O-N 3.15Å; R324-D328 VanDerWaalsContact O-N 3.13Å |
| 325 | S | 42.9 | Very low | 43.5 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 53% | 0.531 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -64.5 | -19 | 174.9 | -169.6 | 0 | 0 | 0 | 0 | 114 | R323 L329 | R323-S325 VanDerWaalsContact C-N 3.34Å; R323-S325 PolarHBondContact O-N 2.94Å; S325-L329 WeakPolarHBondContact O-CD1 3.35Å |
| 326 | A | 41.8 | Very low | 43.5 | Very low | 63 Ų | 63 | 129.7 Ų | 129.7 | 52% | 0.521 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -84.2 | -27.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R323 R324 | R323-A326 WeakPolarHBondContact O-CB 3.43Å; R323-A326 PolarHBondContact O-N 3.43Å; R324-A326 PolarHBondContact O-N 2.83Å |
| 327 | E | 44.5 | Very low | 43 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 54% | 0.537 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -74.4 | -39.2 | 176.9 | -70.9 | 155.5 | -178.5 | 0 | 0 | 110.8 | R323 R324 L329 S330 | R323-E327 PolarHBondContact O-N 3.25Å; R324-E327 PolarHBondContact O-N 2.89Å; E327-L329 VanDerWaalsContact C-N 3.3Å; E327-L329 PolarHBondContact O-N 3.4Å; E327-S330 WeakPolarHBondContact O-CB 3.39Å; E327-S330 PolarHBondContact O-N 2.95Å; E327-S330 PolarHBondContact O-OG 2.91Å |
| 328 | D | 39.9 | Very low | 43.1 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 59% | 0.594 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.5 | -31.7 | 176.3 | -69.5 | -41 | 0 | 0 | 0 | 113.5 | R324 S330 | R324-D328 PolarHBondContact O-N 3.15Å; R324-D328 VanDerWaalsContact O-N 3.13Å; D328-S330 PolarHBondContact O-N 3.4Å |
| 329 | L | 41.4 | Very low | 43.3 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 67% | 0.67 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.1 | -16.3 | 174.6 | -98.7 | 77.3 | 0 | 0 | 0 | 113.5 | S325 E327 | S325-L329 WeakPolarHBondContact O-CD1 3.35Å; E327-L329 VanDerWaalsContact C-N 3.3Å; E327-L329 PolarHBondContact O-N 3.4Å |
| 330 | S | 40.1 | Very low | 43.9 | Very low | 92 Ų | 92 | 120.5 Ų | 120.5 | 64% | 0.643 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.9 | -25.9 | -179.2 | 72.8 | 0 | 0 | 0 | 0 | 113.6 | E327 D328 | E327-S330 WeakPolarHBondContact O-CB 3.39Å; E327-S330 PolarHBondContact O-N 2.95Å; E327-S330 PolarHBondContact O-OG 2.91Å; D328-S330 PolarHBondContact O-N 3.4Å |
| 331 | N | 41.1 | Very low | 44.7 | Very low | 140 Ų | 140 | 114.7 Ų | 114.7 | 75% | 0.749 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -84.8 | -18.2 | 178.5 | -74.9 | -39.7 | 0 | 0 | 0 | 113.2 | K333 | N331-K333 PolarHBondContact O-N 3.49Å |
| 332 | C | 37.6 | Very low | 45.7 | Very low | 91 Ų | 91 | 115.6 Ų | 115.6 | 62% | 0.615 | 63% | 0.627 | S | S | * | * | | | trans | -83.7 | 98.9 | 177.9 | -71 | 0 | 0 | 0 | 0 | 111 | A334 | C332-A334 PolarHBondContact O-N 3.19Š|
| 333 | K | 33.5 | Very low | 47 | Very low | 205 Ų | 205 | 109.4 Ų | 109.4 | 89% | 0.891 | 60% | 0.603 | S | S | * | * | | | trans | -67.6 | 64.8 | 172.5 | -74.3 | -179.7 | 175.8 | 172.4 | 0 | 112.8 | N331 T335 | N331-K333 PolarHBondContact O-N 3.49Å; K333-T335 PolarHBondContact O-N 3.42Å; K333-T335 VanDerWaalsContact O-N 3.11Å |
| 334 | A | 40 | Very low | 48.1 | Very low | 79 Ų | 79 | 105.9 Ų | 105.9 | 65% | 0.653 | 60% | 0.595 | S | S | * | * | | | trans | -73.9 | 97.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | C332 F336 | C332-A334 PolarHBondContact O-N 3.19Å; A334-F336 PolarHBondContact O-N 3.32Å |
| 335 | T | 35.6 | Very low | 49.4 | Very low | 109 Ų | 109 | 105.4 Ų | 105.4 | 67% | 0.669 | 59% | 0.594 | S | S | * | * | | | trans | -67.2 | 90.1 | 177 | 49.4 | 0 | 0 | 0 | 0 | 110.9 | K333 N337 | K333-T335 PolarHBondContact O-N 3.42Å; K333-T335 VanDerWaalsContact O-N 3.11Å; T335-N337 PolarHBondContact O-N 3.4Å |
| 336 | F | 46.6 | Very low | 50.7 | Low | 140 Ų | 140 | 103.4 Ų | 103.4 | 61% | 0.614 | 58% | 0.582 | S | S | * | * | | | trans | -80.8 | 109.8 | -179 | -129.8 | -87.7 | 0 | 0 | 0 | 110.9 | A334 I338 | A334-F336 PolarHBondContact O-N 3.32Å; F336-I338 VanDerWaalsContact C-N 3.26Å; F336-I338 HydrophobicContact CB-CG1 4.44Å; F336-I338 HydrophobicContact CD1-CG1 4.29Å; F336-I338 PolarHBondContact O-N 2.87Å |
| 337 | N | 41.8 | Very low | 52.2 | Low | 142 Ų | 142 | 104.1 Ų | 104.1 | 76% | 0.759 | 58% | 0.577 | S | S | * | * | | | trans | -71.6 | 79.8 | 172.7 | -79.8 | -20.5 | 0 | 0 | 0 | 110.6 | T335 C339 | T335-N337 PolarHBondContact O-N 3.4Å; N337-C339 PolarHBondContact O-N 3.16Å |
| 338 | I | 52.1 | Low | 53.8 | Low | 72 Ų | 72 | 107.2 Ų | 107.2 | 37% | 0.369 | 58% | 0.583 | S | S | . | * | | | trans | -73.1 | 94.8 | 171 | -56.1 | 178.3 | 0 | 0 | 0 | 107.9 | F336 Q342 V343 | F336-I338 VanDerWaalsContact C-N 3.26Å; F336-I338 HydrophobicContact CB-CG1 4.44Å; F336-I338 HydrophobicContact CD1-CG1 4.29Å; F336-I338 PolarHBondContact O-N 2.87Å; I338-Q342 HydrophobicContact CG2-CB 3.84Å; I338-V343 HydrophobicContact CG2-CG2 3.72Å |
| 339 | C | 53.6 | Low | 55.4 | Low | 86 Ų | 86 | 105.5 Ų | 105.5 | 58% | 0.581 | 57% | 0.573 | S | S | * | * | | | trans | -55.4 | 142.4 | 176.9 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | N337 G341 Q342 | N337-C339 PolarHBondContact O-N 3.16Å; C339-G341 PolarHBondContact O-N 3.24Å; C339-Q342 WeakPolarHBondContact O-CB 3.48Å; C339-Q342 PolarHBondContact O-N 2.92Å |
| 340 | S | 60.5 | Low | 56.9 | Low | 93 Ų | 93 | 104.3 Ų | 104.3 | 65% | 0.65 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -46.3 | -40.1 | -175.6 | -179.7 | 0 | 0 | 0 | 0 | 114.1 | Q342 V343 M344 | S340-Q342 VanDerWaalsContact C-N 3.28Å; S340-Q342 PolarHBondContact O-N 3.21Å; S340-V343 PolarHBondContact O-N 3.4Å; S340-V343 VanDerWaalsContact O-N 3.15Å; S340-M344 WeakPolarHBondContact O-CG 3.43Å; S340-M344 PolarHBondContact O-N 3.42Å |
| 341 | G | 66.6 | Low | 58.4 | Low | 52 Ų | 52 | 106.1 Ų | 106.1 | 54% | 0.536 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.6 | -27.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | C339 R345 | C339-G341 PolarHBondContact O-N 3.24Å; G341-R345 WeakPolarHBondContact O-CB 3.44Å; G341-R345 PolarHBondContact O-N 3.32Å |
| 342 | Q | 69 | Low | 59.8 | Low | 89 Ų | 89 | 102.6 Ų | 102.6 | 42% | 0.416 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73 | -42.3 | 174 | -67.3 | -177.9 | -10.9 | 0 | 0 | 111.3 | I338 C339 S340 R345 A346 | I338-Q342 HydrophobicContact CG2-CB 3.84Å; C339-Q342 WeakPolarHBondContact O-CB 3.48Å; C339-Q342 PolarHBondContact O-N 2.92Å; S340-Q342 VanDerWaalsContact C-N 3.28Å; S340-Q342 PolarHBondContact O-N 3.21Å; Q342-R345 PolarHBondContact O-N 3.47Å; Q342-A346 PolarHBondContact O-N 2.94Å |
| 343 | V | 69.2 | Low | 61.2 | Low | 42 Ų | 42 | 103.3 Ų | 103.3 | 26% | 0.255 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 174 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | L209 I338 S340 R345 A346 L347 | L209-V343 HydrophobicContact CD1-CG1 3.86Å; I338-V343 HydrophobicContact CG2-CG2 3.72Å; S340-V343 PolarHBondContact O-N 3.4Å; S340-V343 VanDerWaalsContact O-N 3.15Å; V343-R345 VanDerWaalsContact C-N 3.3Å; V343-R345 PolarHBondContact O-N 2.79Å; V343-A346 PolarHBondContact O-N 3.12Å; V343-L347 HydrophobicContact CG1-CD1 4.1Å; V343-L347 HydrophobicContact CG1-CG 4.47Å; V343-L347 WeakPolarHBondContact O-CG 3.3Å; V343-L347 PolarHBondContact O-N 2.74Å |
| 344 | M | 68 | Low | 62.6 | Low | 109 Ų | 109 | 98.3 Ų | 98.3 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -32.3 | 177.1 | -67.1 | -59.8 | -65.1 | 0 | 0 | 113 | S340 L347 R348 | S340-M344 WeakPolarHBondContact O-CG 3.43Å; S340-M344 PolarHBondContact O-N 3.42Å; M344-L347 HydrophobicContact SD-CD1 4.46Å; M344-R348 WeakPolarHBondContact O-CB 3.36Å; M344-R348 PolarHBondContact O-N 3.44Å |
| 345 | R | 71.6 | Confident | 63.4 | Low | 179 Ų | 179 | 97.7 Ų | 97.7 | 68% | 0.675 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.2 | -44.4 | 173.3 | -171.2 | -179.2 | -68.2 | -167.6 | -3 | 111.3 | G341 Q342 V343 R348 I349 | G341-R345 WeakPolarHBondContact O-CB 3.44Å; G341-R345 PolarHBondContact O-N 3.32Å; Q342-R345 PolarHBondContact O-N 3.47Å; V343-R345 VanDerWaalsContact C-N 3.3Å; V343-R345 PolarHBondContact O-N 2.79Å; R345-R348 PolarHBondContact O-N 3.13Å; R345-I349 HydrophobicContact CG-CD1 4.32Å; R345-I349 WeakPolarHBondContact O-CG1 3.48Å; R345-I349 PolarHBondContact O-N 2.9Å; R345-I349 VanDerWaalsContact O-N 3.12Å |
| 346 | A | 71.3 | Confident | 64.5 | Low | 34 Ų | 34 | 100.6 Ų | 100.6 | 28% | 0.281 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q342 V343 R348 I349 Y350 | Q342-A346 PolarHBondContact O-N 2.94Å; V343-A346 PolarHBondContact O-N 3.12Å; A346-R348 PolarHBondContact O-N 3.25Å; A346-I349 PolarHBondContact O-N 3.47Å; A346-Y350 PolarHBondContact O-N 3.34Å |
| 347 | L | 72.8 | Confident | 65 | Low | 79 Ų | 79 | 100.6 Ų | 100.6 | 41% | 0.414 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 175.6 | -72.4 | 171.4 | 0 | 0 | 0 | 111.9 | V343 M344 I349 Y350 E351 | V343-L347 HydrophobicContact CG1-CD1 4.1Å; V343-L347 HydrophobicContact CG1-CG 4.47Å; V343-L347 WeakPolarHBondContact O-CG 3.3Å; V343-L347 PolarHBondContact O-N 2.74Å; M344-L347 HydrophobicContact SD-CD1 4.46Å; L347-I349 VanDerWaalsContact C-N 3.3Å; L347-I349 PolarHBondContact O-N 3.36Å; L347-Y350 WeakPolarHBondContact O-CB 3.41Å; L347-Y350 PolarHBondContact O-N 3.3Å; L347-Y350 VanDerWaalsContact O-N 3.11Å; L347-E351 WeakPolarHBondContact O-CG 3.49Å; L347-E351 PolarHBondContact O-N 3.36Å |
| 348 | R | 76.8 | Confident | 65.7 | Low | 180 Ų | 180 | 102.4 Ų | 102.4 | 68% | 0.679 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.7 | -36.9 | 177.5 | -171.3 | -177.3 | -62.7 | 178.7 | -0.7 | 112.7 | M344 R345 A346 S352 | M344-R348 WeakPolarHBondContact O-CB 3.36Å; M344-R348 PolarHBondContact O-N 3.44Å; R345-R348 PolarHBondContact O-N 3.13Å; A346-R348 PolarHBondContact O-N 3.25Å; R348-S352 WeakPolarHBondContact O-CB 3.48Å; R348-S352 PolarHBondContact O-N 3.38Å; R348-S352 VanDerWaalsContact O-N 3.09Å; R348-S352 PolarHBondContact O-OG 2.83Å |
| 349 | I | 75.6 | Confident | 65.8 | Low | 75 Ų | 75 | 106 Ų | 106 | 39% | 0.385 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 173.7 | -68.1 | 164.5 | 0 | 0 | 0 | 109.8 | R345 A346 L347 E351 S352 Q353 | R345-I349 HydrophobicContact CG-CD1 4.32Å; R345-I349 WeakPolarHBondContact O-CG1 3.48Å; R345-I349 PolarHBondContact O-N 2.9Å; R345-I349 VanDerWaalsContact O-N 3.12Å; A346-I349 PolarHBondContact O-N 3.47Å; L347-I349 VanDerWaalsContact C-N 3.3Å; L347-I349 PolarHBondContact O-N 3.36Å; I349-E351 PolarHBondContact O-N 3.04Å; I349-S352 PolarHBondContact O-N 2.9Å; I349-S352 VanDerWaalsContact O-N 3.14Å; I349-S352 PolarHBondContact O-OG 2.92Å; I349-Q353 WeakPolarHBondContact O-CG 3.29Å; I349-Q353 PolarHBondContact O-N 3.04Å; I349-Q353 VanDerWaalsContact O-N 3.07Å |
| 350 | Y | 71.6 | Confident | 65.8 | Low | 103 Ų | 103 | 109.3 Ų | 109.3 | 40% | 0.404 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 178.4 | -167.6 | -83.7 | 0 | 0 | 0 | 112.7 | A346 L347 S352 Q353 L354 | A346-Y350 PolarHBondContact O-N 3.34Å; L347-Y350 WeakPolarHBondContact O-CB 3.41Å; L347-Y350 PolarHBondContact O-N 3.3Å; L347-Y350 VanDerWaalsContact O-N 3.11Å; Y350-S352 VanDerWaalsContact C-N 3.31Å; Y350-S352 PolarHBondContact O-N 3.01Å; Y350-Q353 PolarHBondContact O-N 3.06Å; Y350-L354 PolarHBondContact O-N 3Å |
| 351 | E | 72.6 | Confident | 65.3 | Low | 130 Ų | 130 | 109.1 Ų | 109.1 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.1 | -37.2 | 174.7 | -69.7 | 174.1 | 155.4 | 0 | 0 | 112.5 | L347 I349 S355 | L347-E351 WeakPolarHBondContact O-CG 3.49Å; L347-E351 PolarHBondContact O-N 3.36Å; I349-E351 PolarHBondContact O-N 3.04Å; E351-S355 PolarHBondContact O-N 3.15Å; E351-S355 PolarHBondContact O-OG 2.87Å |
| 352 | S | 70.8 | Confident | 64.4 | Low | 65 Ų | 65 | 110.4 Ų | 110.4 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.9 | -26.9 | 177.3 | 74.8 | 0 | 0 | 0 | 0 | 114.1 | R348 I349 Y350 S355 | R348-S352 WeakPolarHBondContact O-CB 3.48Å; R348-S352 PolarHBondContact O-N 3.38Å; R348-S352 VanDerWaalsContact O-N 3.09Å; R348-S352 PolarHBondContact O-OG 2.83Å; I349-S352 PolarHBondContact O-N 2.9Å; I349-S352 VanDerWaalsContact O-N 3.14Å; I349-S352 PolarHBondContact O-OG 2.92Å; Y350-S352 VanDerWaalsContact C-N 3.31Å; Y350-S352 PolarHBondContact O-N 3.01Å; S352-S355 WeakPolarHBondContact CA-OG 3.44Å; S352-S355 PolarHBondContact O-OG 3.41Å |
| 353 | Q | 65 | Low | 63.4 | Low | 107 Ų | 107 | 112.3 Ų | 112.3 | 50% | 0.5 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -78.7 | -45.9 | 173.5 | -63.9 | -72.4 | 35.3 | 0 | 0 | 111.3 | I349 Y350 S355 R356 E357 | I349-Q353 WeakPolarHBondContact O-CG 3.29Å; I349-Q353 PolarHBondContact O-N 3.04Å; I349-Q353 VanDerWaalsContact O-N 3.07Å; Y350-Q353 PolarHBondContact O-N 3.06Å; Q353-S355 PolarHBondContact O-N 2.94Å; Q353-R356 WeakPolarHBondContact O-CA 3.31Å; Q353-R356 WeakPolarHBondContact O-CB 3.37Å; Q353-R356 PolarHBondContact O-N 2.84Å; Q353-E357 PolarHBondContact O-N 3.05Å |
| 354 | L | 64.2 | Low | 62.2 | Low | 99 Ų | 99 | 122 Ų | 122 | 52% | 0.518 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.8 | -34.3 | -179.3 | -169.8 | 71 | 0 | 0 | 0 | 112.5 | Y350 K358 | Y350-L354 PolarHBondContact O-N 3Å; L354-K358 WeakPolarHBondContact O-CB 3.33Å; L354-K358 PolarHBondContact O-N 2.83Å |
| 355 | S | 57.1 | Low | 61.5 | Low | 67 Ų | 67 | 123.1 Ų | 123.1 | 47% | 0.469 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -73.9 | -26.8 | 173.8 | 45.9 | 0 | 0 | 0 | 0 | 113.3 | E351 S352 Q353 | E351-S355 PolarHBondContact O-N 3.15Å; E351-S355 PolarHBondContact O-OG 2.87Å; S352-S355 WeakPolarHBondContact CA-OG 3.44Å; S352-S355 PolarHBondContact O-OG 3.41Å; Q353-S355 PolarHBondContact O-N 2.94Å |
| 356 | R | 58 | Low | 60.2 | Low | 170 Ų | 170 | 123.7 Ų | 123.7 | 64% | 0.642 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -78.3 | -41.8 | 176.9 | -163.1 | 174.6 | -170.1 | 168.9 | 4 | 112.4 | Q353 K358 L359 | Q353-R356 WeakPolarHBondContact O-CA 3.31Å; Q353-R356 WeakPolarHBondContact O-CB 3.37Å; Q353-R356 PolarHBondContact O-N 2.84Å; R356-K358 VanDerWaalsContact C-N 3.32Å; R356-K358 PolarHBondContact O-N 3.3Å; R356-L359 PolarHBondContact O-N 3.35Å |
| 357 | E | 56.5 | Low | 59.2 | Low | 140 Ų | 140 | 126 Ų | 126 | 65% | 0.654 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -60.7 | -41.6 | 173.8 | -70.5 | -173.8 | 130.4 | 0 | 0 | 111.6 | Q353 L359 M360 | Q353-E357 PolarHBondContact O-N 3.05Å; E357-L359 PolarHBondContact O-N 3.4Å; E357-L359 VanDerWaalsContact O-N 3.13Å; E357-M360 PolarHBondContact O-N 3.47Å |
| 358 | K | 56.4 | Low | 58.1 | Low | 180 Ų | 180 | 131.2 Ų | 131.2 | 78% | 0.783 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -12 | -178.6 | -158.6 | 169.9 | -175.8 | 179.6 | 0 | 114.4 | L354 R356 | L354-K358 WeakPolarHBondContact O-CB 3.33Å; L354-K358 PolarHBondContact O-N 2.83Å; R356-K358 VanDerWaalsContact C-N 3.32Å; R356-K358 PolarHBondContact O-N 3.3Å |
| 359 | L | 54.3 | Low | 56.6 | Low | 147 Ų | 147 | 131.2 Ų | 131.2 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -9.5 | 173.5 | -78.4 | 167 | 0 | 0 | 0 | 113.9 | R356 E357 | R356-L359 PolarHBondContact O-N 3.35Å; E357-L359 PolarHBondContact O-N 3.4Å; E357-L359 VanDerWaalsContact O-N 3.13Å |
| 360 | M | 54.5 | Low | 55.5 | Low | 155 Ų | 155 | 132.9 Ų | 132.9 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -93.9 | -3.3 | 179.4 | -72.3 | -70.3 | 163.5 | 0 | 0 | 113.7 | E357 | E357-M360 PolarHBondContact O-N 3.47Š|
| 361 | A | 50.6 | Low | 54.2 | Low | 90 Ų | 90 | 134 Ų | 134 | 74% | 0.744 | 73% | 0.725 | S | S | * | * | | | trans | -107.7 | 60.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 362 | A | 46.9 | Very low | 53.1 | Low | 78 Ų | 78 | 132.4 Ų | 132.4 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | | | trans | -137.8 | 127.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 363 | P | 48.8 | Very low | 52.3 | Low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | | | trans | -68 | 138 | 179.1 | -18.6 | 31.9 | 0 | 0 | 0 | 112.4 | | |
| 364 | R | 43.3 | Very low | 51.1 | Low | 245 Ų | 245 | 140 Ų | 140 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | | | trans | -90.6 | 118.7 | 170.2 | -66.7 | -177 | 179 | -173.1 | -0.9 | 110.1 | | |
| 365 | T | 54 | Low | 50.1 | Low | 134 Ų | 134 | 140.8 Ų | 140.8 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -109.4 | 126.1 | 164.8 | 49.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 366 | M | 42.6 | Very low | 49.4 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 94% | 0.941 | 80% | 0.803 | S | S | * | * | | | trans | -77.8 | 148 | -178.8 | -61.4 | -75.9 | -76.6 | 0 | 0 | 111.2 | | |
| 367 | G | 52 | Low | 48.6 | Very low | 81 Ų | 81 | 144 Ų | 144 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | -175 | 122.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 368 | E | 48.6 | Very low | 47.7 | Very low | 190 Ų | 190 | 142.6 Ų | 142.6 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -71.4 | 172.8 | 173.1 | -68.3 | 163.9 | 163.8 | 0 | 0 | 111.7 | | |
| 369 | E | 45.1 | Very low | 47 | Very low | 179 Ų | 179 | 141 Ų | 141 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | | | cis | -168.3 | 165.2 | -29 | 173.2 | 172.2 | -148.5 | 0 | 0 | 106.1 | | |
| 370 | S | 52.5 | Low | 46.1 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | 113.2 | 130.2 | 156.1 | -161.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 371 | P | 44.5 | Very low | 45.4 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -104.5 | 140.2 | -170.8 | 37.9 | -33.2 | 0 | 0 | 0 | 115.1 | | |
| 372 | A | 50.1 | Low | 45.3 | Very low | 97 Ų | 97 | 148.2 Ų | 148.2 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | | | trans | -148.5 | 103.7 | 170 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 373 | K | 54.1 | Low | 45.2 | Very low | 203 Ų | 203 | 149.2 Ų | 149.2 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | 47.9 | 131.6 | 155.6 | -68.6 | 178.8 | 176.7 | 175.5 | 0 | 120.7 | | |
| 374 | P | 39.9 | Very low | 45 | Very low | 128 Ų | 128 | 150 Ų | 150 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 131.9 | 172.5 | 33.5 | -33 | 0 | 0 | 0 | 112.7 | | |
| 375 | S | 42.6 | Very low | 45 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 126.5 | 164.2 | -80.2 | 0 | 0 | 0 | 0 | 110.4 | V377 | S375-V377 PolarHBondContact O-N 3.17Š|
| 376 | Q | 41.6 | Very low | 44.6 | Very low | 184 Ų | 184 | 144.6 Ų | 144.6 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 119.3 | 179.8 | -65.5 | 176.8 | -9.2 | 0 | 0 | 111 | | |
| 377 | V | 42.3 | Very low | 44.5 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | -106.7 | 98.3 | 168.9 | -179.9 | 0 | 0 | 0 | 0 | 109 | S375 Q379 | S375-V377 PolarHBondContact O-N 3.17Å; V377-Q379 HydrophobicContact CG1-CG 4.31Å; V377-Q379 PolarHBondContact O-N 2.96Å |
| 378 | V | 36.3 | Very low | 43.9 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | | | trans | -71.7 | 97.1 | 179.2 | 179.8 | 0 | 0 | 0 | 0 | 110 | | |
| 379 | Q | 41.4 | Very low | 43.6 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | | | trans | -90.5 | 106.6 | 169.6 | -72.1 | -150.6 | -6.6 | 0 | 0 | 111.5 | V377 K381 | V377-Q379 HydrophobicContact CG1-CG 4.31Å; V377-Q379 PolarHBondContact O-N 2.96Å; Q379-K381 VanDerWaalsContact C-N 3.31Å; Q379-K381 PolarHBondContact O-N 3.35Å |
| 380 | H | 36 | Very low | 43.4 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | | | trans | -65.9 | 82 | 172.5 | -76.7 | -85 | 0 | 0 | 0 | 112.5 | K382 | H380-K382 PolarHBondContact O-N 3.5Š|
| 381 | K | 40.2 | Very low | 42.9 | Very low | 183 Ų | 183 | 137.2 Ų | 137.2 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | | | trans | -75.6 | 99.5 | 166.6 | -69.7 | -177.2 | 179.7 | 176.8 | 0 | 109.2 | Q379 | Q379-K381 VanDerWaalsContact C-N 3.31Å; Q379-K381 PolarHBondContact O-N 3.35Å |
| 382 | K | 49.3 | Very low | 42.7 | Very low | 190 Ų | 190 | 138.6 Ų | 138.6 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | | | trans | -59.9 | 136.8 | 177 | -62.8 | 174.6 | -177.5 | 175.1 | 0 | 109.8 | H380 | H380-K382 PolarHBondContact O-N 3.5Š|
| 383 | P | 44.7 | Very low | 42.2 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | | | trans | -66.4 | 143.3 | -178.4 | 27.3 | -34.6 | 0 | 0 | 0 | 111.5 | T385 | P383-T385 PolarHBondContact O-N 2.99Š|
| 384 | L | 43 | Very low | 41.3 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -74.6 | 18.3 | -175.1 | -154.6 | 72.5 | 0 | 0 | 0 | 113.8 | | |
| 385 | T | 43.6 | Very low | 41 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 64% | 0.644 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -84.3 | -24.2 | -171.7 | 49.2 | 0 | 0 | 0 | 0 | 113.8 | P383 | P383-T385 PolarHBondContact O-N 2.99Š|
| 386 | K | 45.4 | Very low | 40.4 | Very low | 160 Ų | 160 | 140 Ų | 140 | 70% | 0.696 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -91.1 | 6.6 | -179.6 | -68.3 | -160.2 | 170 | -164.3 | 0 | 115.7 | | |
| 387 | F | 41.6 | Very low | 40.2 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 61% | 0.605 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -81.9 | -48.8 | 177.7 | -172.4 | -105.9 | 0 | 0 | 0 | 112 | E389 N390 V391 | F387-E389 PolarHBondContact O-N 3.49Å; F387-N390 PolarHBondContact O-N 3.42Å; F387-V391 HydrophobicContact CE1-CG2 4.46Å |
| 388 | W | 38.9 | Very low | 40.1 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 58% | 0.58 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -27.1 | -175 | -74.9 | 105.6 | 0 | 0 | 0 | 114.7 | N390 V391 F392 | W388-N390 PolarHBondContact O-N 3.42Å; W388-V391 HydrophobicContact CE3-CB 4.1Å; W388-V391 HydrophobicContact CE3-CG1 4.12Å; W388-V391 HydrophobicContact CE3-CG2 4.34Å; W388-V391 HydrophobicContact CZ3-CG1 4.08Å; W388-V391 PolarHBondContact O-N 3.27Å; W388-F392 HydrophobicContact CE3-CD2 4.31Å; W388-F392 AromaticContact CE3-CE2 3.84Å; W388-F392 HydrophobicContact CE3-CE2 3.84Å; W388-F392 HydrophobicContact CZ3-CE2 4.03Å; W388-F392 PolarHBondContact O-N 3.34Å |
| 389 | E | 41.3 | Very low | 39.9 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 51% | 0.514 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -57.9 | -35.5 | 178.7 | -160.3 | 164.7 | -142.8 | 0 | 0 | 112 | F387 Q393 | F387-E389 PolarHBondContact O-N 3.49Å; E389-Q393 WeakPolarHBondContact O-CG 3.37Å |
| 390 | N | 42 | Very low | 39.7 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 64% | 0.642 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -84.4 | -10.6 | 176.2 | -78.4 | -61.4 | 0 | 0 | 0 | 114.6 | F387 W388 | F387-N390 PolarHBondContact O-N 3.42Å; W388-N390 PolarHBondContact O-N 3.42Å |
| 391 | V | 42.6 | Very low | 39.8 | Very low | 76 Ų | 76 | 137.4 Ų | 137.4 | 46% | 0.461 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -85.7 | -31.8 | -178 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | F387 W388 | F387-V391 HydrophobicContact CE1-CG2 4.46Å; W388-V391 HydrophobicContact CE3-CB 4.1Å; W388-V391 HydrophobicContact CE3-CG1 4.12Å; W388-V391 HydrophobicContact CE3-CG2 4.34Å; W388-V391 HydrophobicContact CZ3-CG1 4.08Å; W388-V391 PolarHBondContact O-N 3.27Å |
| 392 | F | 38.5 | Very low | 39.6 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 68% | 0.68 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -99.8 | -6.6 | -177.5 | -77.9 | -80 | 0 | 0 | 0 | 115.4 | W388 K394 | W388-F392 HydrophobicContact CE3-CD2 4.31Å; W388-F392 AromaticContact CE3-CE2 3.84Å; W388-F392 HydrophobicContact CE3-CE2 3.84Å; W388-F392 HydrophobicContact CZ3-CE2 4.03Å; W388-F392 PolarHBondContact O-N 3.34Å; F392-K394 VanDerWaalsContact C-N 3.35Å; F392-K394 PolarHBondContact O-N 3.22Å |
| 393 | Q | 41.2 | Very low | 39.1 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 67% | 0.668 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -87.5 | 13 | -179.3 | -74.1 | -175.1 | -1.2 | 0 | 0 | 115.3 | E389 | E389-Q393 WeakPolarHBondContact O-CG 3.37Š|
| 394 | K | 35.5 | Very low | 38.9 | Very low | 197 Ų | 197 | 137.6 Ų | 137.6 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -114.9 | 36.8 | -178.4 | -82.1 | -173.8 | 172.9 | 178.9 | 0 | 115.3 | F392 | F392-K394 VanDerWaalsContact C-N 3.35Å; F392-K394 PolarHBondContact O-N 3.22Å |
| 395 | S | 31.7 | Very low | 38.9 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | | | trans | -151.4 | 63.9 | 168.5 | 64 | 0 | 0 | 0 | 0 | 113 | | |
| 396 | S | 31.8 | Very low | 38.8 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | | | trans | -133.1 | 110.6 | 169.3 | -169 | 0 | 0 | 0 | 0 | 109.9 | | |
| 397 | A | 37.5 | Very low | 38.6 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -83 | 156.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 398 | Q | 39 | Very low | 38.5 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 137.7 | -168.7 | -62.4 | 175.4 | -9.3 | 0 | 0 | 113.7 | | |
| 399 | P | 33.1 | Very low | 38.6 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 117.9 | 155.8 | 32.9 | -27.2 | 0 | 0 | 0 | 110 | | |
| 400 | L | 36.6 | Very low | 38.6 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 121.9 | 164.6 | -81.5 | 173.3 | 0 | 0 | 0 | 109.5 | | |
| 401 | T | 37.8 | Very low | 38.7 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 144.3 | -176.4 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 402 | L | 36.1 | Very low | 38.6 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 146.2 | -175.4 | -63.5 | 160.3 | 0 | 0 | 0 | 114.1 | | |
| 403 | L | 39.2 | Very low | 38.6 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -144.2 | 84.8 | 150.3 | -83.2 | -174.9 | 0 | 0 | 0 | 113 | | |
| 404 | L | 40.8 | Very low | 38.5 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | trans | 65.7 | 164 | 139.5 | -68.7 | 166.1 | 0 | 0 | 0 | 120 | | |
| 405 | P | 42.9 | Very low | 38.8 | Very low | 100 Ų | 100 | 134 Ų | 134 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | trans | -127.6 | 177.9 | -145 | 44.7 | -33.1 | 0 | 0 | 0 | 116.3 | | |
| 406 | N | 40.8 | Very low | 39.2 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | | -172.2 | 129.5 | 127 | -98.1 | -24.3 | 0 | 0 | 0 | 116.1 | | |
| 407 | V | 40.9 | Very low | 39.4 | Very low | 126 Ų | 126 | 141 Ų | 141 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | trans | 62.3 | 123.6 | 131.7 | 179.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 408 | S | 40.9 | Very low | 39.5 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | 74.8 | 142.7 | 148.8 | -171.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 409 | S | 41.5 | Very low | 39.6 | Very low | 89 Ų | 89 | 140.8 Ų | 140.8 | 62% | 0.622 | 79% | 0.787 | S | S | * | * | | | cis | -168.2 | 162.6 | -29.7 | -160.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 410 | N | 40.2 | Very low | 39.7 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | | | trans | 84.8 | 146.7 | 157.5 | -51.5 | -26.1 | 0 | 0 | 0 | 121.1 | | |
| 411 | H | 44.7 | Very low | 39.7 | Very low | 173 Ų | 173 | 143 Ų | 143 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | trans | 71.5 | 80.1 | 164.4 | -69 | -71.2 | 0 | 0 | 0 | 122.5 | | |
| 412 | L | 39.4 | Very low | 39.7 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | | 7.4 | 157 | 114.2 | -66.6 | 168.1 | 0 | 0 | 0 | 120.2 | | |
| 413 | P | 39.5 | Very low | 39.9 | Very low | 120 Ų | 120 | 148 Ų | 148 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | cis | -137.5 | 177.7 | -7.1 | 36.1 | -15 | 0 | 0 | 0 | 117.1 | | |
| 414 | L | 39.2 | Very low | 39.7 | Very low | 163 Ų | 163 | 146.6 Ų | 146.6 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -86.5 | -174.8 | 168.7 | -81.8 | 163.8 | 0 | 0 | 0 | 112.4 | | |
| 415 | P | 41.9 | Very low | 39.5 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | | | cis | -133.4 | -177 | -34.8 | 34.8 | -17.8 | 0 | 0 | 0 | 113.1 | | |
| 416 | R | 40.3 | Very low | 39.2 | Very low | 248 Ų | 248 | 149 Ų | 149 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | | | trans | -167.8 | 157.5 | 134.7 | -107.7 | 157.3 | -171.5 | 170.1 | 3.5 | 115.3 | | |
| 417 | T | 36 | Very low | 39 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -84.9 | 143.8 | -169.2 | 48.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 418 | V | 39.6 | Very low | 38.8 | Very low | 150 Ų | 150 | 150 Ų | 150 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | | | trans | -141.2 | 154.9 | 154.7 | -174.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 419 | T | 41.3 | Very low | 38.5 | Very low | 115 Ų | 115 | 151.2 Ų | 151.2 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | -117.7 | 142.7 | -159.3 | 52.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 420 | T | 34.2 | Very low | 38.3 | Very low | 135 Ų | 135 | 154.2 Ų | 154.2 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | | | trans | 38 | 116.1 | 143.2 | 60.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 421 | K | 36.2 | Very low | 38.4 | Very low | 182 Ų | 182 | 154.8 Ų | 154.8 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | | | trans | -161.1 | 117.4 | 136.7 | -161.5 | 174.4 | -175.5 | 179.8 | 0 | 112.6 | | |
| 422 | W | 38.5 | Very low | 38.2 | Very low | 256 Ų | 256 | 152.5 Ų | 152.5 | 97% | 0.97 | 80% | 0.804 | S | S | * | * | | | trans | -142.9 | 139.8 | 157.7 | -82.3 | 100.7 | 0 | 0 | 0 | 108.7 | | |
| 423 | H | 39.6 | Very low | 38.3 | Very low | 145 Ų | 145 | 152 Ų | 152 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | | | trans | -107.3 | 149.9 | -176.2 | -140.2 | -110.5 | 0 | 0 | 0 | 109.5 | D425 | H423-D425 IonicContact CE1-OD1 3.55Å; H423-D425 IonicContact ND1-OD1 3.65Å; H423-D425 PolarHBondContact ND1-OD1 2.95Å |
| 424 | C | 35.3 | Very low | 38.5 | Very low | 131 Ų | 131 | 152 Ų | 152 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | | | trans | -119.3 | 106.8 | 172.9 | -66.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 425 | D | 36.8 | Very low | 38.6 | Very low | 132 Ų | 132 | 149 Ų | 149 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -100.6 | 120.1 | 171.8 | -56.6 | -27.4 | 0 | 0 | 0 | 108.7 | H423 | H423-D425 IonicContact CE1-OD1 3.55Å; H423-D425 IonicContact ND1-OD1 3.65Å; H423-D425 PolarHBondContact ND1-OD1 2.95Å |
| 426 | L | 36 | Very low | 38.6 | Very low | 178 Ų | 178 | 150.3 Ų | 150.3 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | | | trans | -172.9 | 106.8 | 157 | -110.2 | 163.8 | 0 | 0 | 0 | 109 | | |
| 427 | Q | 37.9 | Very low | 38.7 | Very low | 180 Ų | 180 | 145 Ų | 145 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | | | trans | -137.2 | 128.4 | 170.3 | -122.8 | -174.9 | -7 | 0 | 0 | 110.8 | | |
| 428 | S | 36.4 | Very low | 39.1 | Very low | 111 Ų | 111 | 147.8 Ų | 147.8 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | 51.6 | 99.4 | 148.3 | -52.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 429 | T | 34.2 | Very low | 39.1 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | -138.8 | 116.7 | 150.6 | 42.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 430 | L | 37 | Very low | 39.3 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | | | trans | 174.6 | 148.1 | 147.3 | -102.4 | 166.9 | 0 | 0 | 0 | 110.8 | | |
| 431 | H | 42.6 | Very low | 39.8 | Very low | 147 Ų | 147 | 151.8 Ų | 151.8 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | | | trans | 64.5 | 136.4 | 179.6 | -57.2 | -75.9 | 0 | 0 | 0 | 116.3 | | |
| 432 | D | 39.9 | Very low | 40.1 | Very low | 125 Ų | 125 | 146 Ų | 146 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | | | cis | -157.8 | 173.1 | -12.3 | -108.4 | -17.2 | 0 | 0 | 0 | 110.1 | | |
| 433 | D | 41.5 | Very low | 40.6 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | 62.4 | 146.5 | 165.7 | -64.5 | -33.3 | 0 | 0 | 0 | 118.9 | | |
| 434 | V | 44.3 | Very low | 41 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | | | cis | 158.4 | 141 | -22.4 | 142.1 | 0 | 0 | 0 | 0 | 105 | | |
| 435 | S | 42.1 | Very low | 41.6 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | trans | 78.7 | 109.4 | 172.3 | -61.7 | 0 | 0 | 0 | 0 | 120 | | |
| 436 | T | 41.9 | Very low | 42.2 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | | | | 53.2 | 135.2 | 107.1 | -48.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 437 | L | 40.8 | Very low | 42.9 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | | | cis | -178.8 | 147.3 | -14.8 | 175 | 123.2 | 0 | 0 | 0 | 106.9 | | |
| 438 | E | 45 | Very low | 43.7 | Very low | 187 Ų | 187 | 132.6 Ų | 132.6 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | trans | 60.9 | 170.7 | 173.7 | -74.4 | -177.8 | -174.5 | 0 | 0 | 117.7 | | |
| 439 | G | 39.6 | Very low | 44.7 | Very low | 73 Ų | 73 | 133.1 Ų | 133.1 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | | | trans | -177.8 | -68.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 440 | R | 45.4 | Very low | 45.8 | Very low | 200 Ų | 200 | 129.4 Ų | 129.4 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | trans | 65.9 | 123.2 | 165.4 | -172.1 | -176.5 | -168.4 | -172.2 | 8 | 119.3 | | |
| 441 | R | 44.4 | Very low | 46.9 | Very low | 210 Ų | 210 | 129 Ų | 129 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | | | trans | 73.3 | 150.3 | 170.4 | -68.5 | 170 | -70.8 | -149 | 2.5 | 115.8 | | |
| 442 | G | 42.8 | Very low | 47.7 | Very low | 62 Ų | 62 | 130.8 Ų | 130.8 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | | | cis | 164.4 | -174.2 | -4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 443 | M | 48.6 | Very low | 48.7 | Very low | 186 Ų | 186 | 130.6 Ų | 130.6 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | | | trans | 70.7 | 147.4 | 178.2 | -47 | 165 | 63 | 0 | 0 | 112.6 | | |
| 444 | S | 48.4 | Very low | 49.5 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | cis | -151.9 | 174.1 | 16.5 | -54.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 445 | S | 48.8 | Very low | 50.5 | Low | 94 Ų | 94 | 135.7 Ų | 135.7 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | | | cis | -179.1 | 145.9 | -15.6 | 44.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 446 | L | 49.5 | Very low | 50.9 | Low | 163 Ų | 163 | 137.5 Ų | 137.5 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | 68.1 | 154.5 | 166 | -54.9 | 160.6 | 0 | 0 | 0 | 115 | | |
| 447 | S | 50.7 | Low | 51.4 | Low | 96 Ų | 96 | 137.6 Ų | 137.6 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | | | cis | -165.9 | 174.2 | -6.4 | -115.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 448 | S | 53.6 | Low | 52 | Low | 95 Ų | 95 | 137.7 Ų | 137.7 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | | | cis | -164.9 | 168.7 | -5 | -107.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 449 | S | 56.9 | Low | 52.4 | Low | 121 Ų | 121 | 134.8 Ų | 134.8 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | 43.6 | 131.3 | 155.9 | 58.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 450 | G | 58.4 | Low | 53.2 | Low | 62 Ų | 62 | 138.7 Ų | 138.7 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | | | cis | 152.9 | 162 | -6.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 451 | T | 59.9 | Low | 53.7 | Low | 144 Ų | 144 | 134.6 Ų | 134.6 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | 69 | 152.5 | 168.7 | 75.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 452 | K | 60.3 | Low | 54.4 | Low | 185 Ų | 185 | 129.2 Ų | 129.2 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | cis | -154.4 | 153.5 | -0.3 | -143 | 178.2 | 177.6 | 179.6 | 0 | 111.5 | | |
| 453 | V | 61 | Low | 55.3 | Low | 120 Ų | 120 | 134.4 Ų | 134.4 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | 30 | 117.5 | 149.5 | 168.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 454 | K | 56.9 | Low | 55.9 | Low | 195 Ų | 195 | 130.1 Ų | 130.1 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | | | cis | 84.6 | 108.7 | 45.7 | -172.3 | -171.5 | 179.5 | -177.2 | 0 | 114.8 | | |
| 455 | S | 66.2 | Low | 56.6 | Low | 180 Ų | 180 | 132.3 Ų | 132.3 | 100% | 1.259 | 81% | 0.805 | S | S | * | * | | | trans | -132.3 | 0 | 135.9 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | | |