| 1 | A | 74.2 | Confident | 83.1 | Confident | 160 Ų | 160 | 138 Ų | 138 | 100% | 1.322 | 72% | 0.72 | S | S | * | * | | | | 0 | 124.6 | 0 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 2 | R | 81.3 | Confident | 84 | Confident | 240 Ų | 240 | 133.2 Ų | 133.2 | 91% | 0.906 | 70% | 0.701 | S | S | * | * | | | trans | -87.5 | 138.1 | 169.9 | -71.3 | -177.7 | 176.7 | 173.8 | -0.5 | 108.3 | V4 | R2-V4 PolarHBondContact O-N 3.2Š|
| 3 | C | 79.6 | Confident | 85 | Confident | 109 Ų | 109 | 129.2 Ų | 129.2 | 74% | 0.736 | 69% | 0.685 | S | S | * | * | | | trans | -69.2 | 123.5 | 175.3 | -167 | 0 | 0 | 0 | 0 | 109.2 | S5 | C3-S5 VanDerWaalsContact SG-CB 3.57Å; C3-S5 PolarHBondContact SG-OG 2.8Å |
| 4 | V | 79.4 | Confident | 85.8 | Confident | 133 Ų | 133 | 121.3 Ų | 121.3 | 81% | 0.806 | 65% | 0.65 | S | S | * | * | | | trans | -102.4 | 16.8 | 175.2 | -66.6 | 0 | 0 | 0 | 0 | 112 | R2 R6 | R2-V4 PolarHBondContact O-N 3.2Å; V4-R6 PolarHBondContact O-N 2.8Å; V4-R6 VanDerWaalsContact O-N 3.12Å |
| 5 | S | 75.8 | Confident | 86.5 | Confident | 79 Ų | 79 | 121.7 Ų | 121.7 | 55% | 0.552 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 117.6 | -179.4 | 61.1 | 0 | 0 | 0 | 0 | 110.4 | C3 | C3-S5 VanDerWaalsContact SG-CB 3.57Å; C3-S5 PolarHBondContact SG-OG 2.8Å |
| 6 | R | 80.9 | Confident | 87.1 | Confident | 213 Ų | 213 | 118.6 Ų | 118.6 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 135.4 | 171.2 | -60.5 | -176.2 | 77.4 | 170.1 | 2.4 | 108.8 | V4 H8 | V4-R6 PolarHBondContact O-N 2.8Å; V4-R6 VanDerWaalsContact O-N 3.12Å; R6-H8 PolarHBondContact O-CE1 3.09Å; R6-H8 VanDerWaalsContact O-CE1 3.27Å; R6-H8 PolarHBondContact O-ND1 2.68Å |
| 7 | Y | 83.4 | Confident | 87.6 | Confident | 108 Ų | 108 | 114.5 Ų | 114.5 | 42% | 0.424 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -72.7 | 133.2 | 168.5 | -67.1 | -86.6 | 0 | 0 | 0 | 109 | R34 R36 | Y7-R34 HydrophobicContact CD1-CG 4.12Å; Y7-R34 HydrophobicContact CE1-CG 4.02Å; Y7-R34 VanDerWaalsContact OH-CZ 3.3Å; Y7-R34 PolarHBondContact OH-NE 3Å; Y7-R34 PolarHBondContact OH-NH2 2.87Å; Y7-R36 PolarHBondContact O-NH2 2.98Å |
| 8 | H | 84.3 | Confident | 88.1 | Confident | 166 Ų | 166 | 119.9 Ų | 119.9 | 77% | 0.769 | 63% | 0.631 | S | S | * | * | | | trans | -104.9 | 149.3 | 176.8 | -62.8 | 80 | 0 | 0 | 0 | 109.2 | R6 | R6-H8 PolarHBondContact O-CE1 3.09Å; R6-H8 VanDerWaalsContact O-CE1 3.27Å; R6-H8 PolarHBondContact O-ND1 2.68Å |
| 9 | R | 90.5 | Very high | 88.6 | Confident | 183 Ų | 183 | 118.2 Ų | 118.2 | 69% | 0.691 | 62% | 0.619 | S | S | * | * | | | trans | -70.6 | 144.5 | 168.4 | -172.6 | -179.2 | -176.4 | -159.2 | 3.9 | 107.7 | E38 | R9-E38 IonicContact CZ-OE1 3.14Å; R9-E38 IonicContact NE-OE1 3.23Å; R9-E38 PolarHBondContact NE-OE1 2.75Å; R9-E38 IonicContact NH2-OE1 2.68Å; R9-E38 PolarHBondContact NH2-OE1 3.33Å; R9-E38 IonicContact NH2-OE2 3.96Å |
| 10 | G | 90.6 | Very high | 89 | Confident | 32 Ų | 32 | 114.2 Ų | 114.2 | 33% | 0.33 | 60% | 0.6 | S | S | . | * | | | trans | -152.5 | 159.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | D24 | G10-D24 VanDerWaalsContact CA-OD2 3.28Å; G10-D24 WeakPolarHBondContact CA-OD2 3.49Å |
| 11 | T | 93.7 | Very high | 89.3 | Confident | 95 Ų | 95 | 109.4 Ų | 109.4 | 58% | 0.583 | 58% | 0.576 | S | S | * | * | | | trans | -102.7 | 134 | -179 | -58.6 | 0 | 0 | 0 | 0 | 109.1 | T13 I23 D24 | T11-T13 PolarHBondContact O-N 3.41Å; T11-I23 WeakPolarHBondContact O-CA 3.5Å; T11-D24 PolarHBondContact N-OD1 3.34Å; T11-D24 PolarHBondContact O-N 3.01Å |
| 12 | V | 93.8 | Very high | 90.4 | Very high | 80 Ų | 80 | 104.9 Ų | 104.9 | 49% | 0.485 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 114.3 | 175.3 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | I15 V21 E22 I23 | V12-I15 HydrophobicContact CG1-CG1 4.31Å; V12-V21 HydrophobicContact CG1-CB 4.42Å; V12-E22 CarbonylContact C-O 3.59Å; V12-E22 VanDerWaalsContact CA-O 3.3Å; V12-E22 WeakPolarHBondContact CA-O 3.3Å; V12-I23 HydrophobicContact CG2-CG1 4.4Å |
| 13 | T | 97.1 | Very high | 91 | Very high | 81 Ų | 81 | 94.5 Ų | 94.5 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -16.7 | 179.1 | 53.1 | 0 | 0 | 0 | 0 | 112.9 | T11 E22 G25 | T11-T13 PolarHBondContact O-N 3.41Å; T13-E22 PolarHBondContact N-O 3.44Å; T13-E22 WeakPolarHBondContact OG1-CB 3.34Å; T13-E22 PolarHBondContact OG1-O 3.19Å; T13-G25 PolarHBondContact OG1-N 3.02Å |
| 14 | G | 96.4 | Very high | 91.7 | Very high | 19 Ų | 19 | 93.9 Ų | 93.9 | 20% | 0.196 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 164.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E22 | G14-E22 PolarHBondContact O-N 2.79Å |
| 15 | I | 96.8 | Very high | 92.4 | Very high | 128 Ų | 128 | 89.9 Ų | 89.9 | 66% | 0.656 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 80.6 | 179.3 | -51.9 | 176.4 | 0 | 0 | 0 | 108.8 | V12 S17 V21 | V12-I15 HydrophobicContact CG1-CG1 4.31Å; I15-S17 VanDerWaalsContact C-N 3.28Å; I15-S17 PolarHBondContact O-N 3.04Å; I15-V21 HydrophobicContact CG1-CG1 4.44Å; I15-V21 HydrophobicContact CG2-CG1 4.43Å |
| 16 | P | 95.2 | Very high | 93.3 | Very high | 72 Ų | 72 | 90.8 Ų | 90.8 | 47% | 0.468 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -24.9 | -177.1 | 24.9 | -35.5 | 0 | 0 | 0 | 113.7 | T20 E22 | P16-T20 WeakPolarHBondContact CD-O 3.41Å; P16-T20 HydrophobicContact CG-CG2 3.74Å; P16-E22 HydrophobicContact CG-CG 4.15Å |
| 17 | S | 96.5 | Very high | 94 | Very high | 49 Ų | 49 | 84.4 Ų | 84.4 | 34% | 0.343 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 170.3 | 175.5 | 86.5 | 0 | 0 | 0 | 0 | 113 | I15 H19 T20 | I15-S17 VanDerWaalsContact C-N 3.28Å; I15-S17 PolarHBondContact O-N 3.04Å; S17-H19 PolarHBondContact O-N 3.27Å; S17-H19 PolarHBondContact OG-N 2.97Å; S17-H19 VanDerWaalsContact OG-N 3.15Å; S17-T20 PolarHBondContact N-O 3.37Å; S17-T20 PolarHBondContact O-N 2.96Å; S17-T20 WeakPolarHBondContact OG-CB 3.38Å; S17-T20 PolarHBondContact OG-N 2.87Å; S17-T20 PolarHBondContact OG-OG1 3.41Å |
| 18 | R | 96.2 | Very high | 94.6 | Very high | 212 Ų | 212 | 84.5 Ų | 84.5 | 80% | 0.8 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -19.3 | 172.8 | 69.5 | -178.2 | 178.7 | -176.7 | 3.7 | 114.9 | | |
| 19 | H | 97 | Very high | 95.1 | Very high | 86 Ų | 86 | 79.8 Ų | 79.8 | 40% | 0.398 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -3.9 | -177.4 | -58.4 | 131.2 | 0 | 0 | 0 | 113.2 | S17 H29 V30 | S17-H19 PolarHBondContact O-N 3.27Å; S17-H19 PolarHBondContact OG-N 2.97Å; S17-H19 VanDerWaalsContact OG-N 3.15Å; H19-H29 WeakPolarHBondContact O-CA 3.22Å; H19-H29 PolarHBondContact O-CD2 3.21Å; H19-V30 PolarHBondContact O-N 2.82Å |
| 20 | T | 96.8 | Very high | 95.2 | Very high | 39 Ų | 39 | 73.8 Ų | 73.8 | 24% | 0.239 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 129.3 | -171.5 | -50.7 | 0 | 0 | 0 | 0 | 109.9 | P16 S17 P27 R28 | P16-T20 WeakPolarHBondContact CD-O 3.41Å; P16-T20 HydrophobicContact CG-CG2 3.74Å; S17-T20 PolarHBondContact N-O 3.37Å; S17-T20 PolarHBondContact O-N 2.96Å; S17-T20 WeakPolarHBondContact OG-CB 3.38Å; S17-T20 PolarHBondContact OG-N 2.87Å; S17-T20 PolarHBondContact OG-OG1 3.41Å; T20-P27 HydrophobicContact CG2-CB 3.88Å; T20-R28 CarbonylContact C-O 3.49Å; T20-R28 WeakPolarHBondContact CA-O 3.33Å |
| 21 | V | 95.9 | Very high | 95.3 | Very high | 14 Ų | 14 | 83.1 Ų | 83.1 | 9% | 0.085 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 149.2 | 172.2 | -62.2 | 0 | 0 | 0 | 0 | 109.1 | V12 I15 I23 P27 R28 V30 L33 | V12-V21 HydrophobicContact CG1-CB 4.42Å; I15-V21 HydrophobicContact CG1-CG1 4.44Å; I15-V21 HydrophobicContact CG2-CG1 4.43Å; V21-I23 HydrophobicContact CG2-CD1 4.11Å; V21-I23 HydrophobicContact CG2-CG1 4.05Å; V21-P27 CarbonylContact O-C 3.53Å; V21-P27 WeakPolarHBondContact O-CA 3.45Å; V21-R28 PolarHBondContact N-O 3.18Å; V21-R28 PolarHBondContact O-N 3.27Å; V21-R28 VanDerWaalsContact O-O 3.12Å; V21-V30 HydrophobicContact CG1-CG1 4Å; V21-L33 HydrophobicContact CG2-CD1 3.49Å; V21-L33 VanDerWaalsContact CG2-CD1 3.49Å; V21-L33 HydrophobicContact CG2-CD2 4.22Å; V21-L33 HydrophobicContact CG2-CG 4.3Å |
| 22 | E | 96.7 | Very high | 95.1 | Very high | 64 Ų | 64 | 83.9 Ų | 83.9 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.1 | 168.8 | -71.4 | 171.9 | -174.2 | 0 | 0 | 109 | V12 T13 G14 P16 I26 P27 | V12-E22 CarbonylContact C-O 3.59Å; V12-E22 VanDerWaalsContact CA-O 3.3Å; V12-E22 WeakPolarHBondContact CA-O 3.3Å; T13-E22 PolarHBondContact N-O 3.44Å; T13-E22 WeakPolarHBondContact OG1-CB 3.34Å; T13-E22 PolarHBondContact OG1-O 3.19Å; G14-E22 PolarHBondContact O-N 2.79Å; P16-E22 HydrophobicContact CG-CG 4.15Å; E22-I26 WeakPolarHBondContact CA-O 3.28Å; E22-P27 HydrophobicContact CG-CB 4.49Å; E22-P27 HydrophobicContact CG-CG 4.09Å |
| 23 | I | 94.3 | Very high | 94.9 | Very high | 23 Ų | 23 | 83 Ų | 83 | 12% | 0.118 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.2 | 175.9 | -67.5 | 179.9 | 0 | 0 | 0 | 107.9 | T11 V12 V21 G25 I26 L33 | T11-I23 WeakPolarHBondContact O-CA 3.5Å; V12-I23 HydrophobicContact CG2-CG1 4.4Å; V21-I23 HydrophobicContact CG2-CD1 4.11Å; V21-I23 HydrophobicContact CG2-CG1 4.05Å; I23-G25 PolarHBondContact O-N 3.33Å; I23-I26 PolarHBondContact N-O 3.17Å; I23-I26 WeakPolarHBondContact O-CB 3.42Å; I23-I26 PolarHBondContact O-N 2.89Å; I23-L33 HydrophobicContact CD1-CD1 4.21Å; I23-L33 HydrophobicContact CD1-CD2 3.16Å; I23-L33 HydrophobicContact CD1-CG 4.28Å; I23-L33 HydrophobicContact CG1-CD2 4.49Å |
| 24 | D | 94.2 | Very high | 94.4 | Very high | 96 Ų | 96 | 87.1 Ų | 87.1 | 51% | 0.513 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 38 | -174.6 | -48.8 | -43.1 | 0 | 0 | 0 | 111.6 | G10 T11 I26 | G10-D24 VanDerWaalsContact CA-OD2 3.28Å; G10-D24 WeakPolarHBondContact CA-OD2 3.49Å; T11-D24 PolarHBondContact N-OD1 3.34Å; T11-D24 PolarHBondContact O-N 3.01Å; D24-I26 VanDerWaalsContact C-N 3.31Å; D24-I26 PolarHBondContact O-N 3.23Å |
| 25 | G | 95.3 | Very high | 93.4 | Very high | 49 Ų | 49 | 95.7 Ų | 95.7 | 51% | 0.505 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | -0.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.8 | T13 I23 | T13-G25 PolarHBondContact OG1-N 3.02Å; I23-G25 PolarHBondContact O-N 3.33Å |
| 26 | I | 94.4 | Very high | 92.1 | Very high | 97 Ų | 97 | 97.4 Ų | 97.4 | 50% | 0.497 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 119.5 | -179.7 | -56.6 | 175.4 | 0 | 0 | 0 | 109.9 | E22 I23 D24 R28 | E22-I26 WeakPolarHBondContact CA-O 3.28Å; I23-I26 PolarHBondContact N-O 3.17Å; I23-I26 WeakPolarHBondContact O-CB 3.42Å; I23-I26 PolarHBondContact O-N 2.89Å; D24-I26 VanDerWaalsContact C-N 3.31Å; D24-I26 PolarHBondContact O-N 3.23Å; I26-R28 PolarHBondContact O-N 3.15Å |
| 27 | P | 95.9 | Very high | 90.6 | Very high | 79 Ų | 79 | 98.3 Ų | 98.3 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 129.1 | 173.6 | -23.2 | 33 | 0 | 0 | 0 | 112.6 | T20 V21 E22 | T20-P27 HydrophobicContact CG2-CB 3.88Å; V21-P27 CarbonylContact O-C 3.53Å; V21-P27 WeakPolarHBondContact O-CA 3.45Å; E22-P27 HydrophobicContact CG-CB 4.49Å; E22-P27 HydrophobicContact CG-CG 4.09Å |
| 28 | R | 94.2 | Very high | 89 | Confident | 111 Ų | 111 | 101.2 Ų | 101.2 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 151.6 | 176.8 | -67.6 | -170.4 | 179.1 | -83.8 | -1.2 | 111 | T20 V21 I26 L33 | T20-R28 CarbonylContact C-O 3.49Å; T20-R28 WeakPolarHBondContact CA-O 3.33Å; V21-R28 PolarHBondContact N-O 3.18Å; V21-R28 PolarHBondContact O-N 3.27Å; V21-R28 VanDerWaalsContact O-O 3.12Å; I26-R28 PolarHBondContact O-N 3.15Å; R28-L33 HydrophobicContact CB-CD2 4.34Å |
| 29 | H | 96 | Very high | 87.3 | Confident | 67 Ų | 67 | 95 Ų | 95 | 31% | 0.31 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 141 | 177.9 | -170.7 | -87.5 | 0 | 0 | 0 | 110.9 | H19 R31 E32 | H19-H29 WeakPolarHBondContact O-CA 3.22Å; H19-H29 PolarHBondContact O-CD2 3.21Å; H29-R31 WeakPolarHBondContact ND1-CB 3.34Å; H29-R31 PolarHBondContact ND1-N 3.19Å; H29-R31 VanDerWaalsContact ND1-N 3.11Å; H29-R31 PolarHBondContact O-N 3.38Å; H29-R31 VanDerWaalsContact O-N 3.07Å; H29-E32 HydrophobicContact CB-CG 4.2Å; H29-E32 WeakPolarHBondContact O-CB 3.48Å; H29-E32 PolarHBondContact O-N 2.98Å |
| 30 | V | 93.1 | Very high | 85.5 | Confident | 57 Ų | 57 | 99.2 Ų | 99.2 | 35% | 0.345 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -55.5 | -31.8 | -177.9 | -67.5 | 0 | 0 | 0 | 0 | 113.7 | H19 V21 E32 L33 | H19-V30 PolarHBondContact O-N 2.82Å; V21-V30 HydrophobicContact CG1-CG1 4Å; V30-E32 VanDerWaalsContact C-N 3.29Å; V30-E32 PolarHBondContact O-N 2.88Å; V30-L33 WeakPolarHBondContact O-CG 3.38Å; V30-L33 PolarHBondContact O-N 2.73Å |
| 31 | R | 92.8 | Very high | 83.6 | Confident | 227 Ų | 227 | 106 Ų | 106 | 86% | 0.857 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -71.8 | -17.5 | 176.8 | -66.6 | 179 | 178.7 | -171.6 | -2.3 | 114.6 | H29 L33 | H29-R31 WeakPolarHBondContact ND1-CB 3.34Å; H29-R31 PolarHBondContact ND1-N 3.19Å; H29-R31 VanDerWaalsContact ND1-N 3.11Å; H29-R31 PolarHBondContact O-N 3.38Å; H29-R31 VanDerWaalsContact O-N 3.07Å; R31-L33 VanDerWaalsContact C-N 3.28Å |
| 32 | E | 88.7 | Confident | 81.5 | Confident | 112 Ų | 112 | 110.2 Ų | 110.2 | 52% | 0.523 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -81.5 | -14.5 | 177.4 | -64.7 | 175.6 | -174.7 | 0 | 0 | 111.9 | H29 V30 | H29-E32 HydrophobicContact CB-CG 4.2Å; H29-E32 WeakPolarHBondContact O-CB 3.48Å; H29-E32 PolarHBondContact O-N 2.98Å; V30-E32 VanDerWaalsContact C-N 3.29Å; V30-E32 PolarHBondContact O-N 2.88Å |
| 33 | L | 89.5 | Confident | 79.2 | Confident | 61 Ų | 61 | 118 Ų | 118 | 32% | 0.319 | 58% | 0.578 | S | S | . | * | | | trans | -80.2 | 143.1 | -177.4 | -46.2 | -173.6 | 0 | 0 | 0 | 110.3 | V21 I23 R28 V30 R31 | V21-L33 HydrophobicContact CG2-CD1 3.49Å; V21-L33 VanDerWaalsContact CG2-CD1 3.49Å; V21-L33 HydrophobicContact CG2-CD2 4.22Å; V21-L33 HydrophobicContact CG2-CG 4.3Å; I23-L33 HydrophobicContact CD1-CD1 4.21Å; I23-L33 HydrophobicContact CD1-CD2 3.16Å; I23-L33 HydrophobicContact CD1-CG 4.28Å; I23-L33 HydrophobicContact CG1-CD2 4.49Å; R28-L33 HydrophobicContact CB-CD2 4.34Å; V30-L33 WeakPolarHBondContact O-CG 3.38Å; V30-L33 PolarHBondContact O-N 2.73Å; R31-L33 VanDerWaalsContact C-N 3.28Å |
| 34 | R | 86.5 | Confident | 77 | Confident | 167 Ų | 167 | 125.8 Ų | 125.8 | 63% | 0.63 | 61% | 0.614 | S | S | * | * | | | trans | -117.9 | 125.5 | 168.7 | -64.3 | -168.9 | 175.6 | -158.5 | 5.2 | 107.7 | Y7 R36 | Y7-R34 HydrophobicContact CD1-CG 4.12Å; Y7-R34 HydrophobicContact CE1-CG 4.02Å; Y7-R34 VanDerWaalsContact OH-CZ 3.3Å; Y7-R34 PolarHBondContact OH-NE 3Å; Y7-R34 PolarHBondContact OH-NH2 2.87Å; R34-R36 PolarHBondContact O-N 3.36Å |
| 35 | H | 76.1 | Confident | 74.8 | Confident | 199 Ų | 199 | 130.4 Ų | 130.4 | 92% | 0.921 | 63% | 0.632 | S | S | * | * | | | trans | -60.4 | 112.4 | 164.5 | -73.5 | -87.4 | 0 | 0 | 0 | 107.4 | | |
| 36 | R | 68 | Low | 72.6 | Confident | 164 Ų | 164 | 132.6 Ų | 132.6 | 62% | 0.619 | 65% | 0.645 | S | S | * | * | | | trans | -90 | 115.9 | 154.9 | -77.7 | -169.9 | 176.8 | 166.7 | 6.4 | 105.3 | Y7 R34 E38 | Y7-R36 PolarHBondContact O-NH2 2.98Å; R34-R36 PolarHBondContact O-N 3.36Å; R36-E38 PolarHBondContact O-N 3.41Å |
| 37 | A | 64.5 | Low | 70.4 | Confident | 91 Ų | 91 | 135.4 Ų | 135.4 | 75% | 0.752 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 128 | 154.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 38 | E | 63.2 | Low | 68.5 | Low | 110 Ų | 110 | 137.4 Ų | 137.4 | 51% | 0.514 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 132.3 | 165.7 | -71.6 | -68.8 | 160.3 | 0 | 0 | 106.7 | R9 R36 E40 | R9-E38 IonicContact CZ-OE1 3.14Å; R9-E38 IonicContact NE-OE1 3.23Å; R9-E38 PolarHBondContact NE-OE1 2.75Å; R9-E38 IonicContact NH2-OE1 2.68Å; R9-E38 PolarHBondContact NH2-OE1 3.33Å; R9-E38 IonicContact NH2-OE2 3.96Å; R36-E38 PolarHBondContact O-N 3.41Å; E38-E40 PolarHBondContact O-N 3.05Å |
| 39 | P | 59.9 | Low | 66.1 | Low | 82 Ų | 82 | 139.7 Ų | 139.7 | 53% | 0.532 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 134.5 | 171.5 | 24.9 | -30.7 | 0 | 0 | 0 | 107.8 | E41 | P39-E41 HydrophobicContact CB-CG 4.43Å; P39-E41 PolarHBondContact O-N 2.96Å |
| 40 | E | 60.1 | Low | 64.1 | Low | 175 Ų | 175 | 143.8 Ų | 143.8 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -59.5 | 10.2 | -177.6 | -88 | -171.4 | 141.9 | 0 | 0 | 115.1 | E38 S42 | E38-E40 PolarHBondContact O-N 3.05Å; E40-S42 PolarHBondContact O-N 2.78Å; E40-S42 VanDerWaalsContact O-N 3.09Å |
| 41 | E | 55.8 | Low | 62.1 | Low | 180 Ų | 180 | 148.1 Ų | 148.1 | 84% | 0.841 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 14.9 | -172.7 | -59.2 | -177.5 | 160.1 | 0 | 0 | 114.1 | P39 | P39-E41 HydrophobicContact CB-CG 4.43Å; P39-E41 PolarHBondContact O-N 2.96Å |
| 42 | S | 51.6 | Low | 60.5 | Low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.6 | 21.2 | 176.7 | 38.3 | 0 | 0 | 0 | 0 | 115.3 | E40 | E40-S42 PolarHBondContact O-N 2.78Å; E40-S42 VanDerWaalsContact O-N 3.09Å |
| 43 | R | 48.3 | Very low | 59.1 | Low | 227 Ų | 227 | 143.8 Ų | 143.8 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | | | trans | -98.7 | 59.4 | 166.7 | -87.6 | -174.5 | 169.3 | 179.6 | -4.4 | 111.5 | | |
| 44 | E | 49.8 | Very low | 57.9 | Low | 187 Ų | 187 | 147.1 Ų | 147.1 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | | | trans | -94.3 | 71.4 | 159.9 | -71.7 | -179.8 | 167.2 | 0 | 0 | 109 | | |
| 45 | Q | 46.6 | Very low | 57.2 | Low | 192 Ų | 192 | 147.2 Ų | 147.2 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -168.9 | 119.8 | 155.9 | -113.5 | 164.6 | -17.7 | 0 | 0 | 112 | | |
| 46 | A | 48.5 | Very low | 57.2 | Low | 95 Ų | 95 | 145.2 Ų | 145.2 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | | | trans | 75.2 | 98.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 47 | Q | 49.9 | Very low | 57.7 | Low | 156 Ų | 156 | 141.2 Ų | 141.2 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | | | trans | -47.5 | 131.8 | 150.5 | -80.1 | 172.2 | -82.1 | 0 | 0 | 110.2 | E49 | Q47-E49 HydrophobicContact CB-CG 4.26Å; Q47-E49 PolarHBondContact NE2-OE1 3.27Å |
| 48 | P | 55.7 | Low | 58.4 | Low | 121 Ų | 121 | 143.3 Ų | 143.3 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | | | trans | -88.2 | 108 | 139.4 | 28.6 | -15.6 | 0 | 0 | 0 | 107 | D50 | P48-D50 PolarHBondContact O-N 3.31Š|
| 49 | E | 44.2 | Very low | 59.3 | Low | 160 Ų | 160 | 146.1 Ų | 146.1 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | -71.3 | 101 | 159 | -53.2 | -156.1 | 151 | 0 | 0 | 106.4 | Q47 | Q47-E49 HydrophobicContact CB-CG 4.26Å; Q47-E49 PolarHBondContact NE2-OE1 3.27Å |
| 50 | D | 53.7 | Low | 60.3 | Low | 152 Ų | 152 | 150.7 Ų | 150.7 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | -151.4 | 130.5 | 148.5 | -153.8 | 5.2 | 0 | 0 | 0 | 110 | P48 | P48-D50 PolarHBondContact O-N 3.31Š|
| 51 | D | 50.6 | Low | 61.2 | Low | 149 Ų | 149 | 146.9 Ų | 146.9 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | -102.1 | 104.6 | -161.3 | 175.5 | 19.2 | 0 | 0 | 0 | 107.6 | | |
| 52 | S | 58.4 | Low | 61.8 | Low | 79 Ų | 79 | 146.9 Ų | 146.9 | 55% | 0.552 | 77% | 0.77 | S | S | * | * | | | trans | -166 | 102.7 | 161.7 | 46.5 | 0 | 0 | 0 | 0 | 109.6 | D54 | S52-D54 PolarHBondContact O-N 3.02Š|
| 53 | D | 60.6 | Low | 62.6 | Low | 168 Ų | 168 | 147.4 Ų | 147.4 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | | | trans | -59.4 | 79.6 | 159.7 | -82.4 | -40.6 | 0 | 0 | 0 | 109.3 | E55 | D53-E55 VanDerWaalsContact C-N 3.3Å; D53-E55 PolarHBondContact O-N 3.07Å |
| 54 | D | 64.1 | Low | 63.3 | Low | 131 Ų | 131 | 145.5 Ų | 145.5 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | -73.2 | 89.1 | 167.2 | -78.9 | -34.5 | 0 | 0 | 0 | 108.2 | S52 L56 | S52-D54 PolarHBondContact O-N 3.02Å; D54-L56 PolarHBondContact O-N 2.89Å |
| 55 | E | 71.9 | Confident | 63.8 | Low | 169 Ų | 169 | 143.3 Ų | 143.3 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -52.9 | 108.3 | 169.1 | -172.2 | 179.9 | 171.9 | 0 | 0 | 109.5 | D53 V57 | D53-E55 VanDerWaalsContact C-N 3.3Å; D53-E55 PolarHBondContact O-N 3.07Å; E55-V57 VanDerWaalsContact C-N 3.31Å; E55-V57 HydrophobicContact CG-CG2 3.92Å; E55-V57 PolarHBondContact O-N 3.11Å |
| 56 | L | 75.3 | Confident | 64.4 | Low | 158 Ų | 158 | 141.7 Ų | 141.7 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | | | trans | -72 | 84.3 | 177.3 | -66.7 | 175.9 | 0 | 0 | 0 | 110.3 | D54 L58 | D54-L56 PolarHBondContact O-N 2.89Å; L56-L58 PolarHBondContact O-N 2.87Å |
| 57 | V | 78.7 | Confident | 64.6 | Low | 80 Ų | 80 | 142.4 Ų | 142.4 | 49% | 0.485 | 76% | 0.759 | S | S | . | * | | | trans | -81.6 | 110.5 | 174 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | E55 H59 | E55-V57 VanDerWaalsContact C-N 3.31Å; E55-V57 HydrophobicContact CG-CG2 3.92Å; E55-V57 PolarHBondContact O-N 3.11Å; V57-H59 WeakPolarHBondContact CG1-NE2 3.4Å |
| 58 | L | 80 | Confident | 64.7 | Low | 135 Ų | 135 | 142.8 Ų | 142.8 | 71% | 0.707 | 76% | 0.763 | S | S | * | * | | | trans | -87.5 | 112.1 | 170.7 | -78.1 | 117.4 | 0 | 0 | 0 | 110.9 | L56 F60 | L56-L58 PolarHBondContact O-N 2.87Å; L58-F60 HydrophobicContact CB-CE2 4.26Å; L58-F60 HydrophobicContact CD2-CZ 4.47Å |
| 59 | H | 81.7 | Confident | 64.6 | Low | 169 Ų | 169 | 142.6 Ų | 142.6 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 119.7 | 171.5 | -67.8 | -70.6 | 0 | 0 | 0 | 111.4 | V57 | V57-H59 WeakPolarHBondContact CG1-NE2 3.4Š|
| 60 | F | 81.2 | Confident | 64.7 | Low | 177 Ų | 177 | 143.2 Ų | 143.2 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 126.5 | 169.2 | -62.6 | -80 | 0 | 0 | 0 | 109.9 | L58 Q62 | L58-F60 HydrophobicContact CB-CE2 4.26Å; L58-F60 HydrophobicContact CD2-CZ 4.47Å; F60-Q62 PolarHBondContact O-N 3.18Å |
| 61 | A | 79.4 | Confident | 64.6 | Low | 95 Ų | 95 | 143 Ų | 143 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 125.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 62 | Q | 68.3 | Low | 64.7 | Low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 131.3 | 169.5 | -78.7 | -175.8 | -20.6 | 0 | 0 | 109 | F60 K64 | F60-Q62 PolarHBondContact O-N 3.18Å; Q62-K64 PolarHBondContact O-N 3.12Å |
| 63 | P | 66.8 | Low | 64.7 | Low | 115 Ų | 115 | 148.6 Ų | 148.6 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | | | trans | -63.4 | 114.4 | 174.9 | 25.1 | -29.9 | 0 | 0 | 0 | 107.7 | V65 | P63-V65 PolarHBondContact O-N 2.85Š|
| 64 | K | 64.5 | Low | 64.1 | Low | 187 Ų | 187 | 145 Ų | 145 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | | | trans | -59.3 | 109.1 | 168.1 | -75.6 | -178.5 | 179.1 | 177.4 | 0 | 106.7 | Q62 Q66 | Q62-K64 PolarHBondContact O-N 3.12Å; K64-Q66 PolarHBondContact O-N 3.14Å |
| 65 | V | 60.2 | Low | 63.2 | Low | 140 Ų | 140 | 145.6 Ų | 145.6 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | trans | -64.4 | 83.8 | 168.3 | -176.3 | 0 | 0 | 0 | 0 | 106.5 | P63 S67 | P63-V65 PolarHBondContact O-N 2.85Å; V65-S67 PolarHBondContact O-N 3.18Å |
| 66 | Q | 58.5 | Low | 62 | Low | 159 Ų | 159 | 143.9 Ų | 143.9 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | -74 | 112.9 | 166.2 | -69.4 | -166.5 | 44.6 | 0 | 0 | 106.2 | K64 M68 | K64-Q66 PolarHBondContact O-N 3.14Å; Q66-M68 PolarHBondContact O-N 3.2Å |
| 67 | S | 53.1 | Low | 60.4 | Low | 109 Ų | 109 | 142.2 Ų | 142.2 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -49 | 118.4 | 170.3 | 51.4 | 0 | 0 | 0 | 0 | 109.4 | V65 P69 | V65-S67 PolarHBondContact O-N 3.18Å; S67-P69 WeakPolarHBondContact O-CD 3.49Å |
| 68 | M | 52.7 | Low | 59 | Low | 164 Ų | 164 | 143.4 Ų | 143.4 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 126.7 | 172 | -68.8 | -87 | 72 | 0 | 0 | 109.5 | Q66 | Q66-M68 PolarHBondContact O-N 3.2Š|
| 69 | P | 53.6 | Low | 57.1 | Low | 118 Ų | 118 | 142.4 Ų | 142.4 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 134.8 | 157.6 | 30.3 | -24.3 | 0 | 0 | 0 | 108.1 | S67 | S67-P69 WeakPolarHBondContact O-CD 3.49Š|
| 70 | K | 45.3 | Very low | 55.3 | Low | 172 Ų | 172 | 142.5 Ų | 142.5 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -85 | 152.2 | -177.6 | -158 | -172 | 179.6 | -163.6 | 0 | 109.3 | | |
| 71 | E | 51.5 | Low | 53.5 | Low | 149 Ų | 149 | 136.9 Ų | 136.9 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | | | trans | 75.3 | 137.9 | 166.9 | -26.9 | -97.6 | 132.4 | 0 | 0 | 113.2 | | |
| 72 | E | 52.3 | Low | 51.7 | Low | 168 Ų | 168 | 141.8 Ų | 141.8 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | cis | -154.6 | 146.3 | 28.5 | -75.6 | -175.3 | 106.4 | 0 | 0 | 113.3 | | |
| 73 | E | 59.1 | Low | 50.8 | Low | 177 Ų | 177 | 142.7 Ų | 142.7 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | 63.3 | 151.5 | 141.2 | -86.8 | -148.3 | 91.1 | 0 | 0 | 125.1 | | |
| 74 | P | 47.8 | Very low | 49.8 | Very low | 91 Ų | 91 | 145.1 Ų | 145.1 | 59% | 0.591 | 77% | 0.773 | S | S | * | * | | | trans | -127.1 | -179.9 | -131.5 | 41.5 | -22.6 | 0 | 0 | 0 | 114.1 | | |
| 75 | L | 46.4 | Very low | 49 | Very low | 144 Ų | 144 | 141 Ų | 141 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | trans | 72.6 | 105.6 | 160.7 | -54 | 170.8 | 0 | 0 | 0 | 116.8 | | |
| 76 | T | 45.7 | Very low | 49 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | -140.9 | 86.8 | 131.5 | -46.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 77 | T | 41.6 | Very low | 48.9 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -66.3 | 127.7 | 157.8 | -66.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 78 | C | 49.4 | Very low | 49.2 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 72% | 0.716 | 76% | 0.762 | S | S | * | * | | | trans | -139.8 | 146.8 | 162.5 | -82.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 79 | P | 40.9 | Very low | 49.5 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | | | | -94.2 | 141.8 | -113.4 | 31.4 | -34.2 | 0 | 0 | 0 | 113.1 | G81 | P79-G81 PolarHBondContact O-N 3.36Š|
| 80 | I | 43.3 | Very low | 50.2 | Low | 170 Ų | 170 | 142.1 Ų | 142.1 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | | | trans | -64.7 | 112.6 | 160.3 | -67.8 | 163.3 | 0 | 0 | 0 | 105.6 | E82 | I80-E82 PolarHBondContact O-N 2.78Š|
| 81 | G | 43.1 | Very low | 51.2 | Low | 59 Ų | 59 | 143.9 Ų | 143.9 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | | | trans | -48.8 | 137.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P79 F83 | P79-G81 PolarHBondContact O-N 3.36Å; G81-F83 VanDerWaalsContact C-N 3.3Å; G81-F83 PolarHBondContact O-N 3.44Å |
| 82 | E | 41.2 | Very low | 52.1 | Low | 198 Ų | 198 | 148 Ų | 148 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | | | trans | -51.2 | 91.3 | 174.5 | -65.7 | 168.5 | 152.1 | 0 | 0 | 109.9 | I80 | I80-E82 PolarHBondContact O-N 2.78Š|
| 83 | F | 49.9 | Very low | 53.2 | Low | 201 Ų | 201 | 144.6 Ų | 144.6 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | | | trans | -99.5 | 100.3 | 153.1 | -122.4 | -95.5 | 0 | 0 | 0 | 104.3 | G81 A85 | G81-F83 VanDerWaalsContact C-N 3.3Å; G81-F83 PolarHBondContact O-N 3.44Å; F83-A85 PolarHBondContact O-N 2.87Å |
| 84 | E | 46.8 | Very low | 53.9 | Low | 166 Ų | 166 | 142 Ų | 142 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -39.2 | 111.3 | 165 | -91.7 | -166.4 | 140.3 | 0 | 0 | 107.7 | L86 | E84-L86 PolarHBondContact O-N 2.75Š|
| 85 | A | 47.7 | Very low | 55.5 | Low | 99 Ų | 99 | 147.4 Ų | 147.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -71.2 | 68 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | F83 | F83-A85 PolarHBondContact O-N 2.87Š|
| 86 | L | 59.1 | Low | 56.8 | Low | 132 Ų | 132 | 146.9 Ų | 146.9 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | | | trans | -53.6 | 127.2 | 156.9 | -82.6 | 160.2 | 0 | 0 | 0 | 105.6 | E84 A88 | E84-L86 PolarHBondContact O-N 2.75Å; L86-A88 PolarHBondContact O-N 2.06Å |
| 87 | P | 55.8 | Low | 58.4 | Low | 101 Ų | 101 | 151.3 Ų | 151.3 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | | | trans | -56.8 | 112.5 | -177.4 | 23.6 | -31.7 | 0 | 0 | 0 | 106.4 | R89 | P87-R89 PolarHBondContact O-N 3.17Š|
| 88 | A | 59.4 | Low | 60 | Low | 94 Ų | 94 | 154 Ų | 154 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | -67.7 | 72 | 177.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | L86 L90 | L86-A88 PolarHBondContact O-N 2.06Å; A88-L90 PolarHBondContact O-N 3.3Å |
| 89 | R | 60.2 | Low | 61.3 | Low | 221 Ų | 221 | 153.4 Ų | 153.4 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | | | trans | -59 | 112.6 | 167.3 | -71.4 | -166.7 | 176.2 | -127.3 | 0.9 | 104.3 | P87 K91 | P87-R89 PolarHBondContact O-N 3.17Å; R89-K91 PolarHBondContact O-N 3.38Å |
| 90 | L | 67.1 | Low | 62.9 | Low | 166 Ų | 166 | 159.6 Ų | 159.6 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | trans | -48.2 | 107.3 | 175.8 | -81.8 | 90.7 | 0 | 0 | 0 | 107.6 | A88 R92 | A88-L90 PolarHBondContact O-N 3.3Å; L90-R92 VanDerWaalsContact C-N 3.29Å; L90-R92 PolarHBondContact O-N 3.2Å |
| 91 | K | 67.1 | Low | 64.2 | Low | 210 Ų | 210 | 158.3 Ų | 158.3 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | | | trans | -72.1 | 90.9 | -173.1 | -148.1 | 171.7 | -177.5 | 175.3 | 0 | 106.5 | R89 S93 | R89-K91 PolarHBondContact O-N 3.38Å; K91-S93 PolarHBondContact O-N 3.26Å |
| 92 | R | 69.6 | Low | 65.3 | Low | 236 Ų | 236 | 158.8 Ų | 158.8 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | | | trans | -59.8 | 125 | 174.1 | -72.6 | -175.9 | 172.6 | 177.8 | -1.9 | 107.4 | L90 S94 | L90-R92 VanDerWaalsContact C-N 3.29Å; L90-R92 PolarHBondContact O-N 3.2Å; R92-S94 PolarHBondContact O-N 2.82Å |
| 93 | S | 76.2 | Confident | 66.6 | Low | 96 Ų | 96 | 154.6 Ų | 154.6 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | | | trans | -56.4 | 120.7 | 172.2 | 150.3 | 0 | 0 | 0 | 0 | 109.2 | K91 R95 | K91-S93 PolarHBondContact O-N 3.26Å; S93-R95 PolarHBondContact O-N 2.81Å; S93-R95 WeakPolarHBondContact OG-CB 3.25Å; S93-R95 PolarHBondContact OG-N 2.65Å |
| 94 | S | 74 | Confident | 67.6 | Low | 121 Ų | 121 | 149.5 Ų | 149.5 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -79 | 2.8 | 173.4 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | R92 V96 | R92-S94 PolarHBondContact O-N 2.82Å; S94-V96 PolarHBondContact O-N 3.36Å |
| 95 | R | 81 | Confident | 68.3 | Low | 205 Ų | 205 | 146.2 Ų | 146.2 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | | | trans | -65.9 | 110.7 | -177 | -161.6 | 174.8 | -172.8 | 170.6 | 2.8 | 110.2 | S93 R97 | S93-R95 PolarHBondContact O-N 2.81Å; S93-R95 WeakPolarHBondContact OG-CB 3.25Å; S93-R95 PolarHBondContact OG-N 2.65Å; R95-R97 PolarHBondContact O-N 2.8Å |
| 96 | V | 74.7 | Confident | 68.5 | Low | 134 Ų | 134 | 149.1 Ų | 149.1 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | trans | -59.2 | 117.1 | 168.2 | -178 | 0 | 0 | 0 | 0 | 107.3 | S94 | S94-V96 PolarHBondContact O-N 3.36Š|
| 97 | R | 77.6 | Confident | 67.8 | Low | 227 Ų | 227 | 152.9 Ų | 152.9 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | | | trans | -91.7 | 114.1 | 173.3 | -70.1 | -170.5 | 172.4 | -150.3 | -1.3 | 107.5 | R95 | R95-R97 PolarHBondContact O-N 2.8Š|
| 98 | E | 77 | Confident | 68.4 | Low | 177 Ų | 177 | 155.5 Ų | 155.5 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 137.1 | 167.7 | -68.9 | -176.7 | 162 | 0 | 0 | 109.5 | R100 | E98-R100 PolarHBondContact O-N 3.2Š|
| 99 | A | 75.3 | Confident | 68.8 | Low | 95 Ų | 95 | 158.7 Ų | 158.7 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 123.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | T101 | A99-T101 PolarHBondContact O-N 3.26Š|
| 100 | R | 74.8 | Confident | 69.3 | Low | 243 Ų | 243 | 155.3 Ų | 155.3 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 117.2 | 170.1 | -67.2 | -174.8 | 179.1 | -173.8 | -1.8 | 107.2 | E98 C102 | E98-R100 PolarHBondContact O-N 3.2Å; R100-C102 PolarHBondContact O-N 3.05Å |
| 101 | T | 70.2 | Confident | 69.5 | Low | 144 Ų | 144 | 154.6 Ų | 154.6 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | -59.5 | 108.9 | 166.9 | 40.9 | 0 | 0 | 0 | 0 | 108 | A99 A103 | A99-T101 PolarHBondContact O-N 3.26Å; T101-A103 PolarHBondContact O-N 2.99Å |
| 102 | C | 67.8 | Low | 69.6 | Low | 68 Ų | 68 | 151.2 Ų | 151.2 | 46% | 0.459 | 82% | 0.818 | S | S | . | * | | | trans | -79.7 | 107.1 | 171.2 | 169.7 | 0 | 0 | 0 | 0 | 107 | R100 C104 | R100-C102 PolarHBondContact O-N 3.05Å; C102-C104 VanDerWaalsContact CA-SG 3.6Å; C102-C104 WeakPolarHBondContact CB-SG 3.42Å; C102-C104 PolarHBondContact O-N 2.93Å; C102-C104 WeakPolarHBondContact SG-CB 3.15Å; C102-C104 CovalentContact SG-SG 2.06Å; C102-C104 PolarHBondContact SG-SG 3.06Å |
| 103 | A | 68.5 | Low | 69.6 | Low | 111 Ų | 111 | 145.5 Ų | 145.5 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 22.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | T101 | T101-A103 PolarHBondContact O-N 2.99Š|
| 104 | C | 69.5 | Low | 69.1 | Low | 93 Ų | 93 | 149.1 Ų | 149.1 | 63% | 0.628 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | 4.2 | -164.6 | 23.1 | 0 | 0 | 0 | 0 | 112.9 | C102 | C102-C104 VanDerWaalsContact CA-SG 3.6Å; C102-C104 WeakPolarHBondContact CB-SG 3.42Å; C102-C104 PolarHBondContact O-N 2.93Å; C102-C104 WeakPolarHBondContact SG-CB 3.15Å; C102-C104 CovalentContact SG-SG 2.06Å; C102-C104 PolarHBondContact SG-SG 3.06Å |
| 105 | C | 61 | Low | 68.8 | Low | 98 Ų | 98 | 151.2 Ų | 151.2 | 66% | 0.662 | 82% | 0.821 | S | S | * | * | | | trans | -106.5 | 57.2 | -179.3 | -63.2 | 0 | 0 | 0 | 0 | 111 | | |
| 106 | D | 51.8 | Low | 67.7 | Low | 159 Ų | 159 | 146.8 Ų | 146.8 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | | | trans | -137.6 | 79.3 | 165.1 | -78.4 | -36.6 | 0 | 0 | 0 | 107.9 | | |
| 107 | T | 44.7 | Very low | 67.1 | Low | 212 Ų | 212 | 147.9 Ų | 147.9 | 100% | 1.301 | 83% | 0.826 | S | S | * | * | | | trans | -156.3 | 0 | 157.9 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | | |