| 1 | M | 49.5 | Very low | 70.1 | Confident | 242 Ų | 242 | 99.7 Ų | 99.7 | 100% | 1.192 | 53% | 0.527 | S | S | * | . | | | | 0 | 120 | 0 | -68.3 | 170.8 | 172.5 | 0 | 0 | 107.4 | | |
| 2 | W | 52.6 | Low | 70.5 | Confident | 198 Ų | 198 | 99.8 Ų | 99.8 | 75% | 0.75 | 52% | 0.522 | S | S | * | . | | | trans | -68.4 | 140.7 | 179.9 | -74.5 | 68.2 | 0 | 0 | 0 | 110 | Y4 T38 | W2-Y4 HydrophobicContact CB-CD2 3.94Å; W2-Y4 VanDerWaalsContact C-N 3.3Å; W2-Y4 PolarHBondContact O-N 3.35Å; W2-Y4 WeakPolarHBondContact O-CD2 3.34Å; W2-Y4 HydrophobicContact CG-CE2 4.4Å; W2-Y4 VanDerWaalsContact O-CD2 3.31Å; W2-Y4 HydrophobicContact CB-CE2 3.5Å; W2-T38 HydrophobicContact CE3-CG2 4.35Å |
| 3 | P | 64.3 | Low | 70.3 | Confident | 65 Ų | 65 | 98.2 Ų | 98.2 | 42% | 0.422 | 52% | 0.519 | S | S | . | . | | | trans | -77.3 | 82.7 | -177.1 | 32.2 | -33.7 | 0 | 0 | 0 | 109.8 | K39 | P3-K39 HydrophobicContact CB-CB 4.28Å; P3-K39 HydrophobicContact CG-CB 4.2Å; P3-K39 WeakPolarHBondContact O-CB 3.02Å; P3-K39 PolarHBondContact O-N 3.09Å |
| 4 | Y | 68.5 | Low | 70 | Confident | 130 Ų | 130 | 100 Ų | 100 | 51% | 0.51 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 131.7 | 169.3 | -68.8 | -82.9 | 0 | 0 | 0 | 109.6 | W2 V37 T38 | W2-Y4 HydrophobicContact CB-CD2 3.94Å; W2-Y4 VanDerWaalsContact C-N 3.3Å; W2-Y4 PolarHBondContact O-N 3.35Å; W2-Y4 WeakPolarHBondContact O-CD2 3.34Å; W2-Y4 HydrophobicContact CG-CE2 4.4Å; W2-Y4 VanDerWaalsContact O-CD2 3.31Å; W2-Y4 HydrophobicContact CB-CE2 3.5Å; Y4-V37 CarbonylContact C-O 3.55Å; Y4-V37 WeakPolarHBondContact CA-O 3.1Å; Y4-T38 HydrophobicContact CD1-CG2 3.68Å; Y4-T38 HydrophobicContact CE1-CG2 3.2Å |
| 5 | V | 66 | Low | 69.4 | Low | 56 Ų | 56 | 98.9 Ų | 98.9 | 34% | 0.339 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 129.2 | 170.5 | -178.9 | 0 | 0 | 0 | 0 | 107.7 | Y36 V37 K39 | V5-Y36 CarbonylContact O-C 3.55Å; V5-Y36 WeakPolarHBondContact O-CA 3.36Å; V5-V37 HydrophobicContact CB-CG2 4.26Å; V5-V37 PolarHBondContact N-O 3.08Å; V5-V37 PolarHBondContact O-N 2.88Å; V5-K39 HydrophobicContact CG2-CB 4.23Å |
| 6 | C | 75.2 | Confident | 68.7 | Low | 60 Ų | 60 | 99.7 Ų | 99.7 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124.1 | 175.9 | -171 | 0 | 0 | 0 | 0 | 109.7 | Y36 | C6-Y36 HydrophobicContact CB-CD1 3.86Å; C6-Y36 HydrophobicContact CB-CE1 3.6Å |
| 7 | V | 74.8 | Confident | 67.9 | Low | 63 Ų | 63 | 101.2 Ų | 101.2 | 38% | 0.382 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129 | 176 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | V9 V35 V37 | V7-V9 HydrophobicContact CG1-CG2 4.3Å; V7-V35 PolarHBondContact O-N 2.89Å; V7-V35 PolarHBondContact N-O 2.85Å; V7-V37 HydrophobicContact CG2-CG2 3.98Å |
| 8 | C | 80.9 | Confident | 67 | Low | 59 Ų | 59 | 102.7 Ų | 102.7 | 40% | 0.399 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 121.2 | 174.7 | -162.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 9 | V | 78.6 | Confident | 66 | Low | 73 Ų | 73 | 103.2 Ų | 103.2 | 44% | 0.442 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.8 | 176.8 | -179.6 | 0 | 0 | 0 | 0 | 108 | V7 C32 V33 | V7-V9 HydrophobicContact CG1-CG2 4.3Å; V9-C32 CarbonylContact O-C 3.58Å; V9-C32 WeakPolarHBondContact O-CA 3.36Å; V9-V33 PolarHBondContact N-O 3.39Å; V9-V33 PolarHBondContact O-N 2.86Å |
| 10 | C | 82.3 | Confident | 65.3 | Low | 63 Ų | 63 | 104.7 Ų | 104.7 | 43% | 0.426 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.7 | 176.4 | -62.3 | 0 | 0 | 0 | 0 | 110 | V31 C32 | C10-V31 WeakPolarHBondContact CA-O 3.4Å; C10-C32 PolarHBondContact SG-SG 2.8Å; C10-C32 CovalentContact SG-SG 2.05Å; C10-C32 WeakPolarHBondContact SG-CB 3.46Å; C10-C32 WeakPolarHBondContact CB-SG 3.39Å; C10-C32 HydrophobicContact CB-CB 4.14Å |
| 11 | V | 78.6 | Confident | 64.5 | Low | 88 Ų | 88 | 107.5 Ų | 107.5 | 53% | 0.533 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 124 | 173.5 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | V31 | V11-V31 PolarHBondContact N-O 2.82Å; V11-V31 PolarHBondContact O-N 3.04Å |
| 12 | H | 75.1 | Confident | 64.4 | Low | 101 Ų | 101 | 101.2 Ų | 101.2 | 47% | 0.468 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.6 | 172.8 | -68.3 | -99.7 | 0 | 0 | 0 | 108.3 | Y14 | H12-Y14 HydrophobicContact CB-CD2 4.29Å; H12-Y14 HydrophobicContact CB-CE2 3.55Å |
| 13 | V | 67.9 | Low | 64 | Low | 78 Ų | 78 | 99 Ų | 99 | 47% | 0.473 | 56% | 0.558 | S | S | . | * | | | trans | -96.2 | 119.5 | 173.2 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | G28 T29 | V13-G28 CarbonylContact O-C 3.25Å; V13-G28 VanDerWaalsContact O-C 3.25Å; V13-G28 WeakPolarHBondContact O-CA 3.09Å; V13-T29 PolarHBondContact N-O 2.94Å |
| 14 | Y | 65.3 | Low | 63.2 | Low | 124 Ų | 124 | 102.3 Ų | 102.3 | 49% | 0.486 | 57% | 0.571 | S | S | . | * | | | trans | -104.5 | 125.1 | 172.5 | -63.8 | -85.5 | 0 | 0 | 0 | 108.6 | H12 L27 | H12-Y14 HydrophobicContact CB-CD2 4.29Å; H12-Y14 HydrophobicContact CB-CE2 3.55Å; Y14-L27 HydrophobicContact CE1-CD1 4.2Å |
| 15 | V | 61.8 | Low | 62.6 | Low | 83 Ų | 83 | 102.1 Ų | 102.1 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | B | Isolated β-bridge | trans | -89.6 | 113 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | E17 | V15-E17 PolarHBondContact O-N 2.87Å |
| 16 | C | 57.8 | Low | 62.2 | Low | 112 Ų | 112 | 103.1 Ų | 103.1 | 76% | 0.757 | 59% | 0.585 | S | S | * | * | | | trans | -85.9 | 100.1 | 170.6 | -167.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 17 | E | 54.6 | Low | 61.3 | Low | 126 Ų | 126 | 107.3 Ų | 107.3 | 59% | 0.589 | 60% | 0.602 | S | S | * | * | | | trans | -85.8 | 117.2 | 174.7 | -138.8 | -177 | 122.5 | 0 | 0 | 108.7 | V15 L19 | V15-E17 PolarHBondContact O-N 2.87Å; E17-L19 PolarHBondContact O-N 3.37Å; E17-L19 WeakPolarHBondContact OE1-CD1 3.31Å |
| 18 | S | 52.6 | Low | 60.7 | Low | 127 Ų | 127 | 105.3 Ų | 105.3 | 89% | 0.888 | 60% | 0.595 | S | S | * | * | | | trans | -75.3 | 73.7 | 177.8 | 48.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 19 | L | 47.9 | Very low | 60.1 | Low | 113 Ų | 113 | 107.6 Ų | 107.6 | 59% | 0.592 | 61% | 0.607 | S | S | * | * | | | trans | -99.6 | 155.6 | 166.1 | -85 | 155.2 | 0 | 0 | 0 | 109.5 | E17 K21 | E17-L19 PolarHBondContact O-N 3.37Å; E17-L19 WeakPolarHBondContact OE1-CD1 3.31Å; L19-K21 PolarHBondContact O-N 3.41Å |
| 20 | P | 52.1 | Low | 59.8 | Low | 133 Ų | 133 | 107.5 Ų | 107.5 | 86% | 0.864 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -74.2 | 25 | -167.5 | 31.6 | -36.4 | 0 | 0 | 0 | 114.9 | | |
| 21 | K | 49.3 | Very low | 59.4 | Low | 164 Ų | 164 | 108.5 Ų | 108.5 | 71% | 0.713 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -118.6 | 128.9 | 173.5 | -83.3 | 177.5 | 174.7 | 172 | 0 | 109.3 | L19 | L19-K21 PolarHBondContact O-N 3.41Š|
| 22 | P | 46.3 | Very low | 59.6 | Low | 109 Ų | 109 | 107.6 Ų | 107.6 | 71% | 0.708 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -65.6 | 139.9 | 172 | 31.7 | -32.1 | 0 | 0 | 0 | 107.9 | | |
| 23 | D | 44.3 | Very low | 59.9 | Low | 153 Ų | 153 | 106.7 Ų | 106.7 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | | | trans | 76.2 | 52.5 | 162.8 | -53.7 | -52.3 | 0 | 0 | 0 | 119 | | |
| 24 | L | 48 | Very low | 60.4 | Low | 134 Ų | 134 | 111 Ų | 111 | 70% | 0.702 | 62% | 0.619 | S | S | * | * | | | trans | -117.1 | 86.1 | 153 | -92.5 | 152.1 | 0 | 0 | 0 | 109.7 | T26 | L24-T26 VanDerWaalsContact C-N 3.32Å; L24-T26 PolarHBondContact O-N 2.81Å |
| 25 | L | 54.7 | Low | 61.1 | Low | 126 Ų | 126 | 108 Ų | 108 | 66% | 0.66 | 61% | 0.614 | S | S | * | * | | | trans | -70.7 | 92.4 | 161.7 | -76.4 | 164 | 0 | 0 | 0 | 107.5 | L27 | L25-L27 PolarHBondContact O-N 2.9Å; L25-L27 VanDerWaalsContact O-N 3.13Å |
| 26 | T | 57.4 | Low | 62 | Low | 77 Ų | 77 | 110.8 Ų | 110.8 | 47% | 0.472 | 62% | 0.616 | S | S | . | * | B | Isolated β-bridge | trans | -63.3 | 117.3 | 173.4 | -49.2 | 0 | 0 | 0 | 0 | 107.8 | L24 G28 | L24-T26 VanDerWaalsContact C-N 3.32Å; L24-T26 PolarHBondContact O-N 2.81Å; T26-G28 PolarHBondContact O-N 3.17Å |
| 27 | L | 57.7 | Low | 62.8 | Low | 147 Ų | 147 | 108.8 Ų | 108.8 | 77% | 0.77 | 60% | 0.601 | S | S | * | * | | | trans | -58.8 | 98.3 | -179.5 | -167 | 87 | 0 | 0 | 0 | 108.7 | Y14 L25 | Y14-L27 HydrophobicContact CE1-CD1 4.2Å; L25-L27 PolarHBondContact O-N 2.9Å; L25-L27 VanDerWaalsContact O-N 3.13Å |
| 28 | G | 62.5 | Low | 63.7 | Low | 22 Ų | 22 | 105.4 Ų | 105.4 | 23% | 0.227 | 59% | 0.589 | C | S | . | * | | | trans | -80.5 | 174.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | V13 T26 | V13-G28 CarbonylContact O-C 3.25Å; V13-G28 VanDerWaalsContact O-C 3.25Å; V13-G28 WeakPolarHBondContact O-CA 3.09Å; T26-G28 PolarHBondContact O-N 3.17Å |
| 29 | T | 68.3 | Low | 64.2 | Low | 106 Ų | 106 | 105.5 Ų | 105.5 | 65% | 0.65 | 57% | 0.573 | S | S | * | * | | | trans | -70 | 140.4 | -170.4 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | V13 | V13-T29 PolarHBondContact N-O 2.94Š|
| 30 | S | 71.2 | Confident | 64.5 | Low | 71 Ų | 71 | 108.5 Ų | 108.5 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.7 | 121.8 | 171.7 | 62.6 | 0 | 0 | 0 | 0 | 110 | | |
| 31 | V | 75 | Confident | 64.6 | Low | 84 Ų | 84 | 108.4 Ų | 108.4 | 51% | 0.509 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.8 | 175.1 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | C10 V11 V33 | C10-V31 WeakPolarHBondContact CA-O 3.4Å; V11-V31 PolarHBondContact N-O 2.82Å; V11-V31 PolarHBondContact O-N 3.04Å; V31-V33 HydrophobicContact CG1-CG2 4.48Å |
| 32 | C | 81.9 | Confident | 64.5 | Low | 69 Ų | 69 | 108.3 Ų | 108.3 | 47% | 0.466 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107 | 125.4 | 176.3 | -61.9 | 0 | 0 | 0 | 0 | 110.8 | V9 C10 | V9-C32 CarbonylContact O-C 3.58Å; V9-C32 WeakPolarHBondContact O-CA 3.36Å; C10-C32 PolarHBondContact SG-SG 2.8Å; C10-C32 CovalentContact SG-SG 2.05Å; C10-C32 WeakPolarHBondContact SG-CB 3.46Å; C10-C32 WeakPolarHBondContact CB-SG 3.39Å; C10-C32 HydrophobicContact CB-CB 4.14Å |
| 33 | V | 81.3 | Confident | 64.6 | Low | 83 Ų | 83 | 107.9 Ų | 107.9 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.5 | 131 | 177.2 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | V9 V31 V35 | V9-V33 PolarHBondContact N-O 3.39Å; V9-V33 PolarHBondContact O-N 2.86Å; V31-V33 HydrophobicContact CG1-CG2 4.48Å; V33-V35 HydrophobicContact CG1-CG2 4.22Å |
| 34 | R | 79.1 | Confident | 64.9 | Low | 167 Ų | 167 | 107.1 Ų | 107.1 | 63% | 0.63 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 117.9 | 171.6 | -69.9 | -178.4 | 179 | 177.9 | -1 | 109.5 | | |
| 35 | V | 80.2 | Confident | 64.9 | Low | 63 Ų | 63 | 110.2 Ų | 110.2 | 38% | 0.382 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111 | 128.9 | 177.7 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | V7 V33 V37 | V7-V35 PolarHBondContact O-N 2.89Å; V7-V35 PolarHBondContact N-O 2.85Å; V33-V35 HydrophobicContact CG1-CG2 4.22Å; V35-V37 HydrophobicContact CG1-CG1 4.02Å |
| 36 | Y | 79.2 | Confident | 64.3 | Low | 140 Ų | 140 | 112.7 Ų | 112.7 | 55% | 0.549 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.9 | 107.2 | 174.9 | -68.1 | -86.7 | 0 | 0 | 0 | 109.3 | V5 C6 | V5-Y36 CarbonylContact O-C 3.55Å; V5-Y36 WeakPolarHBondContact O-CA 3.36Å; C6-Y36 HydrophobicContact CB-CD1 3.86Å; C6-Y36 HydrophobicContact CB-CE1 3.6Å |
| 37 | V | 74.8 | Confident | 63.7 | Low | 70 Ų | 70 | 115.5 Ų | 115.5 | 42% | 0.424 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99 | 137.2 | 179.2 | -64.8 | 0 | 0 | 0 | 0 | 110.9 | Y4 V5 V7 V35 K39 | Y4-V37 CarbonylContact C-O 3.55Å; Y4-V37 WeakPolarHBondContact CA-O 3.1Å; V5-V37 HydrophobicContact CB-CG2 4.26Å; V5-V37 PolarHBondContact N-O 3.08Å; V5-V37 PolarHBondContact O-N 2.88Å; V7-V37 HydrophobicContact CG2-CG2 3.98Å; V35-V37 HydrophobicContact CG1-CG1 4.02Å; V37-K39 PolarHBondContact O-N 3.01Å |
| 38 | T | 74.2 | Confident | 63.2 | Low | 56 Ų | 56 | 113.8 Ų | 113.8 | 34% | 0.344 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.2 | 126.5 | 174.3 | 48.5 | 0 | 0 | 0 | 0 | 109.6 | W2 Y4 F40 | W2-T38 HydrophobicContact CE3-CG2 4.35Å; Y4-T38 HydrophobicContact CD1-CG2 3.68Å; Y4-T38 HydrophobicContact CE1-CG2 3.2Å; T38-F40 PolarHBondContact O-N 3.01Å |
| 39 | K | 63.4 | Low | 62 | Low | 128 Ų | 128 | 124.7 Ų | 124.7 | 56% | 0.557 | 63% | 0.627 | S | S | * | * | | | trans | -69 | 98.4 | 172 | -169.4 | 175.1 | -173.6 | 172.1 | 0 | 108.1 | P3 V5 V37 L41 | P3-K39 HydrophobicContact CB-CB 4.28Å; P3-K39 HydrophobicContact CG-CB 4.2Å; P3-K39 WeakPolarHBondContact O-CB 3.02Å; P3-K39 PolarHBondContact O-N 3.09Å; V5-K39 HydrophobicContact CG2-CB 4.23Å; V37-K39 PolarHBondContact O-N 3.01Å; K39-L41 VanDerWaalsContact C-N 3.3Å; K39-L41 PolarHBondContact O-N 2.94Å |
| 40 | F | 54.7 | Low | 60.7 | Low | 177 Ų | 177 | 126.7 Ų | 126.7 | 78% | 0.776 | 63% | 0.633 | S | S | * | * | | | trans | -59.8 | 101.4 | 161.8 | -97.5 | -91.3 | 0 | 0 | 0 | 107 | T38 F42 | T38-F40 PolarHBondContact O-N 3.01Å; F40-F42 PolarHBondContact O-N 3.1Å |
| 41 | L | 52.8 | Low | 59.3 | Low | 131 Ų | 131 | 132.1 Ų | 132.1 | 69% | 0.686 | 65% | 0.648 | S | S | * | * | | | trans | -66.7 | 81 | 169.5 | -78.8 | 157.8 | 0 | 0 | 0 | 107.4 | K39 P43 | K39-L41 VanDerWaalsContact C-N 3.3Å; K39-L41 PolarHBondContact O-N 2.94Å; L41-P43 WeakPolarHBondContact O-CD 3.4Å |
| 42 | F | 48.7 | Very low | 57.9 | Low | 161 Ų | 161 | 137.6 Ų | 137.6 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | | | trans | -56.8 | 118.7 | 163.5 | -112.2 | -86 | 0 | 0 | 0 | 107.5 | F40 I44 | F40-F42 PolarHBondContact O-N 3.1Å; F42-I44 PolarHBondContact O-N 3.13Å; F42-I44 HydrophobicContact CG-CG1 4.47Å; F42-I44 HydrophobicContact CG-CD1 4.08Å; F42-I44 HydrophobicContact CE1-CD1 4.39Å; F42-I44 HydrophobicContact CD1-CD1 3.59Å; F42-I44 HydrophobicContact CB-CG1 4.14Å; F42-I44 HydrophobicContact CB-CD1 4.01Å; F42-I44 HydrophobicContact CD1-CG1 3.89Å |
| 43 | P | 46.6 | Very low | 56.1 | Low | 101 Ų | 101 | 144.1 Ų | 144.1 | 66% | 0.656 | 69% | 0.685 | S | S | * | * | | | trans | -80.7 | 60.2 | -176.5 | 34.6 | -33.9 | 0 | 0 | 0 | 110 | L41 K45 | L41-P43 WeakPolarHBondContact O-CD 3.4Å; P43-K45 VanDerWaalsContact C-N 3.27Å; P43-K45 PolarHBondContact O-N 2.88Å |
| 44 | I | 51.4 | Low | 54.3 | Low | 137 Ų | 137 | 150 Ų | 150 | 70% | 0.703 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 19 | -179.1 | -55.3 | 168.9 | 0 | 0 | 0 | 111.9 | F42 | F42-I44 PolarHBondContact O-N 3.13Å; F42-I44 HydrophobicContact CG-CG1 4.47Å; F42-I44 HydrophobicContact CG-CD1 4.08Å; F42-I44 HydrophobicContact CE1-CD1 4.39Å; F42-I44 HydrophobicContact CD1-CD1 3.59Å; F42-I44 HydrophobicContact CB-CG1 4.14Å; F42-I44 HydrophobicContact CB-CD1 4.01Å; F42-I44 HydrophobicContact CD1-CG1 3.89Å |
| 45 | K | 47.5 | Very low | 52.5 | Low | 199 Ų | 199 | 154.1 Ų | 154.1 | 87% | 0.865 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | 30.1 | 173.5 | -77.3 | -171.2 | 178 | -178.3 | 0 | 114.2 | P43 | P43-K45 VanDerWaalsContact C-N 3.27Å; P43-K45 PolarHBondContact O-N 2.88Å |
| 46 | Q | 42.9 | Very low | 50.8 | Low | 177 Ų | 177 | 160.8 Ų | 160.8 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -86.5 | 4.8 | 166 | -91.6 | -170.3 | -9.7 | 0 | 0 | 114.6 | | |
| 47 | V | 45.6 | Very low | 49.7 | Very low | 136 Ų | 136 | 161 Ų | 161 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -130.5 | 44.4 | 179.6 | -160.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 48 | V | 45.9 | Very low | 48.2 | Very low | 112 Ų | 112 | 161.2 Ų | 161.2 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | | | trans | -135.2 | 90.2 | 155.5 | -173 | 0 | 0 | 0 | 0 | 108.3 | L50 | V48-L50 HydrophobicContact CG1-CD1 3.9Å; V48-L50 HydrophobicContact CG1-CG 4.35Å; V48-L50 PolarHBondContact O-N 2.86Å |
| 49 | R | 37.4 | Very low | 46.8 | Very low | 250 Ų | 250 | 169.2 Ų | 169.2 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | | | trans | -64.6 | 75.4 | 172.1 | -164.5 | -178.9 | -167.3 | 179.8 | 3.7 | 109.7 | | |
| 50 | L | 42.1 | Very low | 45.7 | Very low | 148 Ų | 148 | 171.5 Ų | 171.5 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | | | trans | -104.5 | 95.3 | 167.3 | -98.9 | 157.6 | 0 | 0 | 0 | 109.6 | V48 K52 | V48-L50 HydrophobicContact CG1-CD1 3.9Å; V48-L50 HydrophobicContact CG1-CG 4.35Å; V48-L50 PolarHBondContact O-N 2.86Å; L50-K52 PolarHBondContact O-N 2.82Å |
| 51 | K | 40.1 | Very low | 45.1 | Very low | 185 Ų | 185 | 172.7 Ų | 172.7 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -46.4 | 126.6 | 155.8 | -77.5 | -177.2 | 170.4 | 178.9 | 0 | 108.7 | | |
| 52 | K | 46.4 | Very low | 44.6 | Very low | 199 Ų | 199 | 172.4 Ų | 172.4 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | | | | 167.4 | 124.2 | 120 | -88.2 | 166 | -173.9 | -176.9 | 0 | 113.6 | L50 | L50-K52 PolarHBondContact O-N 2.82Š|
| 53 | K | 44.8 | Very low | 44.5 | Very low | 206 Ų | 206 | 172.6 Ų | 172.6 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | | | trans | 64.1 | 121.3 | 140.5 | -107.7 | 172.9 | 175.5 | 178.4 | 0 | 121.3 | | |
| 54 | K | 42.2 | Very low | 44.3 | Very low | 208 Ų | 208 | 174.9 Ų | 174.9 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | | | trans | -63.8 | 133 | 166.1 | -72.2 | -177.4 | 173 | 178.9 | 0 | 112.7 | | |
| 55 | R | 41.9 | Very low | 44.2 | Very low | 252 Ų | 252 | 173.1 Ų | 173.1 | 95% | 0.951 | 82% | 0.822 | S | S | * | * | | | trans | -168 | 154.4 | 130.6 | -110.5 | -175.1 | -177.3 | -171.2 | 0.4 | 112.2 | | |
| 56 | K | 44.8 | Very low | 44.1 | Very low | 203 Ų | 203 | 167.7 Ų | 167.7 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | | | trans | -78.8 | 135.1 | -168.9 | -64 | 177.7 | 171.6 | -178.6 | 0 | 113.4 | | |
| 57 | T | 55.8 | Low | 44.4 | Very low | 146 Ų | 146 | 164.3 Ų | 164.3 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | | | trans | -175.3 | 119.3 | 148.1 | 9.3 | 0 | 0 | 0 | 0 | 105.3 | | |
| 58 | G | 42.8 | Very low | 44.5 | Very low | 74 Ų | 74 | 168.6 Ų | 168.6 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | | 93.8 | 67.8 | 57 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 59 | R | 46.2 | Very low | 44.4 | Very low | 223 Ų | 223 | 169.4 Ų | 169.4 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | | | trans | -158.3 | 104.7 | 156 | -115.3 | 175.6 | -175.3 | 175.6 | 1.3 | 109.5 | Y61 | R59-Y61 PolarHBondContact O-N 2.8Š|
| 60 | Q | 38.4 | Very low | 44.7 | Very low | 177 Ų | 177 | 166.3 Ų | 166.3 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | | | trans | -66.1 | 112.5 | 169.6 | -165.6 | 171.2 | 57.1 | 0 | 0 | 106.8 | N62 | Q60-N62 PolarHBondContact O-N 3.22Š|
| 61 | Y | 42 | Very low | 45.4 | Very low | 202 Ų | 202 | 166.4 Ų | 166.4 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | | | trans | -78.2 | 95.4 | 169.3 | -73.8 | -91.1 | 0 | 0 | 0 | 106.8 | R59 H63 | R59-Y61 PolarHBondContact O-N 2.8Å; Y61-H63 PolarHBondContact O-N 2.05Å |
| 62 | N | 43.5 | Very low | 45.2 | Very low | 124 Ų | 124 | 160.7 Ų | 160.7 | 66% | 0.663 | 79% | 0.791 | S | S | * | * | | | trans | -62.3 | 104.8 | 162 | -93.2 | -12.8 | 0 | 0 | 0 | 106.9 | Q60 D64 | Q60-N62 PolarHBondContact O-N 3.22Å; N62-D64 PolarHBondContact O-N 2.94Å; N62-D64 VanDerWaalsContact O-N 3.1Å |
| 63 | H | 46.2 | Very low | 44.6 | Very low | 165 Ų | 165 | 163.6 Ų | 163.6 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | | | trans | -87.2 | 38.8 | -171.5 | -145.3 | -77.2 | 0 | 0 | 0 | 111.1 | Y61 | Y61-H63 PolarHBondContact O-N 2.05Š|
| 64 | D | 43.3 | Very low | 44.6 | Very low | 150 Ų | 150 | 161.5 Ų | 161.5 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | | | trans | -101.5 | 2.1 | -176.3 | -96.4 | -51.1 | 0 | 0 | 0 | 114 | N62 C66 | N62-D64 PolarHBondContact O-N 2.94Å; N62-D64 VanDerWaalsContact O-N 3.1Å; D64-C66 PolarHBondContact O-N 2.8Å; D64-C66 VanDerWaalsContact O-N 3.13Å |
| 65 | S | 48.7 | Very low | 44.7 | Very low | 99 Ų | 99 | 159.1 Ų | 159.1 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | trans | -90.5 | 74.9 | 178.9 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | V67 | S65-V67 PolarHBondContact O-N 3.07Š|
| 66 | C | 46 | Very low | 44.9 | Very low | 85 Ų | 85 | 153.9 Ų | 153.9 | 57% | 0.574 | 79% | 0.789 | S | S | * | * | | | trans | -69.5 | 81.7 | 149.8 | -173.3 | 0 | 0 | 0 | 0 | 106.5 | D64 R68 | D64-C66 PolarHBondContact O-N 2.8Å; D64-C66 VanDerWaalsContact O-N 3.13Å; C66-R68 PolarHBondContact O-N 3.13Å |
| 67 | V | 47.9 | Very low | 44.9 | Very low | 107 Ų | 107 | 151 Ų | 151 | 65% | 0.648 | 78% | 0.783 | S | S | * | * | | | trans | -57.9 | 111.4 | 173.6 | 179.8 | 0 | 0 | 0 | 0 | 106.4 | S65 N69 | S65-V67 PolarHBondContact O-N 3.07Å; V67-N69 PolarHBondContact O-N 2.84Å |
| 68 | R | 48.2 | Very low | 44.2 | Very low | 226 Ų | 226 | 151.3 Ų | 151.3 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -62.4 | 104.4 | 165.4 | -70 | 177.2 | 77.3 | 168.3 | 1.8 | 105.5 | C66 E70 | C66-R68 PolarHBondContact O-N 3.13Å; R68-E70 VanDerWaalsContact C-N 3.3Å; R68-E70 PolarHBondContact O-N 2.89Å; R68-E70 VanDerWaalsContact O-N 3.09Å |
| 69 | N | 44.9 | Very low | 44.3 | Very low | 128 Ų | 128 | 156.5 Ų | 156.5 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | | | trans | -72.2 | 96.5 | 160.4 | -96.7 | 20.3 | 0 | 0 | 0 | 106.1 | V67 I71 | V67-N69 PolarHBondContact O-N 2.84Å; N69-I71 VanDerWaalsContact C-N 3.31Å; N69-I71 HydrophobicContact CB-CG1 4.45Å; N69-I71 PolarHBondContact O-N 3.4Å; N69-I71 VanDerWaalsContact O-N 3.08Å |
| 70 | E | 43.4 | Very low | 44.2 | Very low | 185 Ų | 185 | 151.7 Ų | 151.7 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | -61.1 | 102.3 | 151.1 | -96.4 | 179.4 | 99.7 | 0 | 0 | 106.5 | R68 | R68-E70 VanDerWaalsContact C-N 3.3Å; R68-E70 PolarHBondContact O-N 2.89Å; R68-E70 VanDerWaalsContact O-N 3.09Å |
| 71 | I | 56 | Low | 44.6 | Very low | 150 Ų | 150 | 149.8 Ų | 149.8 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -85.7 | 106.9 | 160.6 | -66.4 | 167.9 | 0 | 0 | 0 | 104.2 | N69 | N69-I71 VanDerWaalsContact C-N 3.31Å; N69-I71 HydrophobicContact CB-CG1 4.45Å; N69-I71 PolarHBondContact O-N 3.4Å; N69-I71 VanDerWaalsContact O-N 3.08Å |
| 72 | G | 36 | Very low | 44.9 | Very low | 65 Ų | 65 | 145.4 Ų | 145.4 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | | | trans | -58.5 | 139.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 73 | H | 34.3 | Very low | 45 | Very low | 261 Ų | 261 | 147.4 Ų | 147.4 | 100% | 1.208 | 78% | 0.776 | S | S | * | * | | | trans | -156.6 | 0 | 139.1 | -142 | -88.9 | 0 | 0 | 0 | 109.2 | | |