| 1 | M | 57.4 | Low | 55.7 | Low | 218 Ų | 218 | 135.7 Ų | 135.7 | 100% | 1.074 | 67% | 0.666 | S | S | * | * | | | | 0 | -7.5 | 0 | -74.4 | -61.6 | 169.3 | 0 | 0 | 115 | | |
| 2 | L | 54.4 | Low | 56 | Low | 155 Ų | 155 | 133.1 Ų | 133.1 | 81% | 0.812 | 66% | 0.663 | S | S | * | * | | | trans | -73.9 | -25.6 | 179.7 | -90.6 | 82 | 0 | 0 | 0 | 115.1 | F4 N5 | L2-F4 VanDerWaalsContact C-N 3.31Å; L2-F4 PolarHBondContact O-N 3.29Å; L2-N5 PolarHBondContact O-N 3.03Å |
| 3 | C | 52.4 | Low | 56.5 | Low | 107 Ų | 107 | 126.2 Ų | 126.2 | 72% | 0.723 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.7 | -31.9 | -172.6 | -55.2 | 0 | 0 | 0 | 0 | 113.5 | N5 Y6 T7 | C3-N5 VanDerWaalsContact C-N 3.34Å; C3-N5 PolarHBondContact O-N 3.35Å; C3-Y6 PolarHBondContact O-N 2.95Å; C3-T7 PolarHBondContact O-N 3.28Å; C3-T7 PolarHBondContact O-OG1 3.26Å |
| 4 | F | 50.4 | Low | 56.9 | Low | 164 Ų | 164 | 121.7 Ų | 121.7 | 72% | 0.719 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.1 | -34.2 | -177.6 | -147 | -92 | 0 | 0 | 0 | 112.2 | L2 Y6 V8 | L2-F4 VanDerWaalsContact C-N 3.31Å; L2-F4 PolarHBondContact O-N 3.29Å; F4-Y6 VanDerWaalsContact C-N 3.34Å; F4-Y6 PolarHBondContact O-N 3.28Å; F4-V8 HydrophobicContact CD1-CG2 3.94Å; F4-V8 HydrophobicContact CE1-CG2 3.93Å; F4-V8 WeakPolarHBondContact O-CG2 3.44Å; F4-V8 PolarHBondContact O-N 3.29Å |
| 5 | N | 54.1 | Low | 57.4 | Low | 111 Ų | 111 | 118.1 Ų | 118.1 | 59% | 0.594 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.9 | -30.7 | 179.7 | -101.5 | -81 | 0 | 0 | 0 | 112.7 | L2 C3 R9 | L2-N5 PolarHBondContact O-N 3.03Å; C3-N5 VanDerWaalsContact C-N 3.34Å; C3-N5 PolarHBondContact O-N 3.35Å; N5-R9 WeakPolarHBondContact O-CB 3.41Å; N5-R9 WeakPolarHBondContact O-CD 3.46Å; N5-R9 WeakPolarHBondContact O-CG 3.18Å; N5-R9 PolarHBondContact O-N 3.06Å |
| 6 | Y | 56.9 | Low | 57.8 | Low | 166 Ų | 166 | 116.5 Ų | 116.5 | 65% | 0.651 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74.1 | -43.8 | 179.5 | -164.6 | -96.5 | 0 | 0 | 0 | 111.4 | C3 F4 R9 F10 | C3-Y6 PolarHBondContact O-N 2.95Å; F4-Y6 VanDerWaalsContact C-N 3.34Å; F4-Y6 PolarHBondContact O-N 3.28Å; Y6-R9 PolarHBondContact O-N 3.46Å; Y6-F10 WeakPolarHBondContact O-CB 3.4Å; Y6-F10 PolarHBondContact O-N 3.49Å |
| 7 | T | 55.4 | Low | 57.9 | Low | 83 Ų | 83 | 115.8 Ų | 115.8 | 51% | 0.509 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.9 | -42.8 | -178.5 | -47.4 | 0 | 0 | 0 | 0 | 112.5 | C3 F10 L11 | C3-T7 PolarHBondContact O-N 3.28Å; C3-T7 PolarHBondContact O-OG1 3.26Å; T7-F10 PolarHBondContact O-N 3.17Å; T7-L11 HydrophobicContact CG2-CD1 4.28Å; T7-L11 WeakPolarHBondContact O-CG 3.23Å; T7-L11 PolarHBondContact O-N 3.21Å |
| 8 | V | 58.2 | Low | 58.2 | Low | 73 Ų | 73 | 113.3 Ų | 113.3 | 44% | 0.442 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.9 | -39.6 | 178.9 | -179.3 | 0 | 0 | 0 | 0 | 111 | F4 F10 L11 V12 | F4-V8 HydrophobicContact CD1-CG2 3.94Å; F4-V8 HydrophobicContact CE1-CG2 3.93Å; F4-V8 WeakPolarHBondContact O-CG2 3.44Å; F4-V8 PolarHBondContact O-N 3.29Å; V8-F10 VanDerWaalsContact C-N 3.34Å; V8-F10 PolarHBondContact O-N 3.45Å; V8-L11 PolarHBondContact O-N 2.95Å; V8-V12 WeakPolarHBondContact O-CG2 2.87Å; V8-V12 PolarHBondContact O-N 3.49Å; V8-V12 VanDerWaalsContact O-N 3.16Å |
| 9 | R | 58.4 | Low | 58.5 | Low | 188 Ų | 188 | 117.5 Ų | 117.5 | 71% | 0.709 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.9 | -34.2 | 175.9 | -69.6 | 178.4 | 81.5 | 135.8 | 3.7 | 112.4 | N5 Y6 S13 | N5-R9 WeakPolarHBondContact O-CB 3.41Å; N5-R9 WeakPolarHBondContact O-CD 3.46Å; N5-R9 WeakPolarHBondContact O-CG 3.18Å; N5-R9 PolarHBondContact O-N 3.06Å; Y6-R9 PolarHBondContact O-N 3.46Å; R9-S13 PolarHBondContact O-N 2.88Å; R9-S13 PolarHBondContact O-OG 2.72Å |
| 10 | F | 56.8 | Low | 58.8 | Low | 114 Ų | 114 | 117.5 Ų | 117.5 | 50% | 0.5 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.5 | -48 | 174.8 | -167.8 | -96.5 | 0 | 0 | 0 | 111.2 | Y6 T7 V8 V12 S13 V14 | Y6-F10 WeakPolarHBondContact O-CB 3.4Å; Y6-F10 PolarHBondContact O-N 3.49Å; T7-F10 PolarHBondContact O-N 3.17Å; V8-F10 VanDerWaalsContact C-N 3.34Å; V8-F10 PolarHBondContact O-N 3.45Å; F10-V12 VanDerWaalsContact C-N 3.35Å; F10-V12 PolarHBondContact O-N 2.89Å; F10-S13 WeakPolarHBondContact CA-OG 3.43Å; F10-S13 PolarHBondContact O-N 3.47Å; F10-S13 VanDerWaalsContact O-N 3.11Å; F10-S13 PolarHBondContact O-OG 3.03Å; F10-V14 HydrophobicContact CD1-CG2 4.05Å; F10-V14 HydrophobicContact CE1-CG2 3.86Å; F10-V14 HydrophobicContact CZ-CG2 4.41Å; F10-V14 WeakPolarHBondContact O-CG2 3.4Å; F10-V14 PolarHBondContact O-N 2.79Å; F10-V14 VanDerWaalsContact O-N 3.13Å |
| 11 | L | 57.8 | Low | 58.8 | Low | 114 Ų | 114 | 119 Ų | 119 | 60% | 0.597 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.5 | -34.8 | -179.8 | -70.5 | 170.9 | 0 | 0 | 0 | 113.5 | T7 V8 S13 P15 | T7-L11 HydrophobicContact CG2-CD1 4.28Å; T7-L11 WeakPolarHBondContact O-CG 3.23Å; T7-L11 PolarHBondContact O-N 3.21Å; V8-L11 PolarHBondContact O-N 2.95Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-S13 PolarHBondContact O-N 3.29Å; L11-P15 WeakPolarHBondContact O-CD 3.4Å |
| 12 | V | 60.1 | Low | 58.9 | Low | 104 Ų | 104 | 114.2 Ų | 114.2 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.5 | -24.4 | 176.3 | 176.4 | 0 | 0 | 0 | 0 | 112.3 | V8 F10 | V8-V12 WeakPolarHBondContact O-CG2 2.87Å; V8-V12 PolarHBondContact O-N 3.49Å; V8-V12 VanDerWaalsContact O-N 3.16Å; F10-V12 VanDerWaalsContact C-N 3.35Å; F10-V12 PolarHBondContact O-N 2.89Å |
| 13 | S | 61.5 | Low | 59 | Low | 44 Ų | 44 | 110 Ų | 110 | 31% | 0.308 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -90.9 | -24.5 | -177.7 | 45.1 | 0 | 0 | 0 | 0 | 114.2 | R9 F10 L11 V16 L17 | R9-S13 PolarHBondContact O-N 2.88Å; R9-S13 PolarHBondContact O-OG 2.72Å; F10-S13 WeakPolarHBondContact CA-OG 3.43Å; F10-S13 PolarHBondContact O-N 3.47Å; F10-S13 VanDerWaalsContact O-N 3.11Å; F10-S13 PolarHBondContact O-OG 3.03Å; L11-S13 VanDerWaalsContact C-N 3.31Å; L11-S13 PolarHBondContact O-N 3.29Å; S13-V16 PolarHBondContact O-N 3.38Å; S13-L17 WeakPolarHBondContact O-CB 3.43Å; S13-L17 WeakPolarHBondContact O-CD1 3.22Å; S13-L17 WeakPolarHBondContact O-CG 3.49Å; S13-L17 PolarHBondContact O-N 3.45Å |
| 14 | V | 63.1 | Low | 59.1 | Low | 63 Ų | 63 | 106.8 Ų | 106.8 | 38% | 0.382 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -56.2 | -46.6 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 113.2 | F10 V16 L17 S18 | F10-V14 HydrophobicContact CD1-CG2 4.05Å; F10-V14 HydrophobicContact CE1-CG2 3.86Å; F10-V14 HydrophobicContact CZ-CG2 4.41Å; F10-V14 WeakPolarHBondContact O-CG2 3.4Å; F10-V14 PolarHBondContact O-N 2.79Å; F10-V14 VanDerWaalsContact O-N 3.13Å; V14-V16 VanDerWaalsContact C-N 3.32Å; V14-V16 PolarHBondContact O-N 3.33Å; V14-L17 PolarHBondContact O-N 3.1Å; V14-S18 WeakPolarHBondContact O-CB 3.32Å; V14-S18 PolarHBondContact O-N 2.83Å; V14-S18 PolarHBondContact O-OG 3.31Å |
| 15 | P | 63.4 | Low | 59.3 | Low | 68 Ų | 68 | 107.4 Ų | 107.4 | 44% | 0.442 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.3 | -33.2 | 179.7 | -20.1 | 31.7 | 0 | 0 | 0 | 113.4 | L11 R19 | L11-P15 WeakPolarHBondContact O-CD 3.4Å; P15-R19 WeakPolarHBondContact O-CG 3.28Å; P15-R19 PolarHBondContact O-N 2.91Å |
| 16 | V | 63.8 | Low | 59.2 | Low | 92 Ų | 92 | 106.4 Ų | 106.4 | 56% | 0.558 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.3 | -41.7 | -179.5 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | S13 V14 R19 L20 | S13-V16 PolarHBondContact O-N 3.38Å; V14-V16 VanDerWaalsContact C-N 3.32Å; V14-V16 PolarHBondContact O-N 3.33Å; V16-R19 PolarHBondContact O-N 2.97Å; V16-L20 PolarHBondContact O-N 3.07Å; V16-L20 VanDerWaalsContact O-N 3.07Å |
| 17 | L | 60.7 | Low | 58.7 | Low | 104 Ų | 104 | 101 Ų | 101 | 55% | 0.545 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68 | -39.4 | 177.1 | -73.8 | 162.2 | 0 | 0 | 0 | 112.1 | S13 V14 R19 L20 F21 | S13-L17 WeakPolarHBondContact O-CB 3.43Å; S13-L17 WeakPolarHBondContact O-CD1 3.22Å; S13-L17 WeakPolarHBondContact O-CG 3.49Å; S13-L17 PolarHBondContact O-N 3.45Å; V14-L17 PolarHBondContact O-N 3.1Å; L17-R19 VanDerWaalsContact C-N 3.29Å; L17-R19 PolarHBondContact O-N 3.02Å; L17-L20 PolarHBondContact O-N 3.26Å; L17-L20 VanDerWaalsContact O-N 3.15Å; L17-F21 WeakPolarHBondContact O-CB 3.48Å; L17-F21 PolarHBondContact O-N 2.8Å |
| 18 | S | 62.4 | Low | 58.3 | Low | 71 Ų | 71 | 103.8 Ų | 103.8 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.1 | -39.9 | 173.9 | -71.6 | 0 | 0 | 0 | 0 | 112 | V14 N22 | V14-S18 WeakPolarHBondContact O-CB 3.32Å; V14-S18 PolarHBondContact O-N 2.83Å; V14-S18 PolarHBondContact O-OG 3.31Å; S18-N22 WeakPolarHBondContact O-CB 3.12Å; S18-N22 PolarHBondContact O-N 3.3Å; S18-N22 VanDerWaalsContact O-N 3.09Å |
| 19 | R | 63.9 | Low | 57.8 | Low | 193 Ų | 193 | 103.9 Ų | 103.9 | 73% | 0.728 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.4 | -41 | 174.4 | -67.9 | 179.3 | -162.6 | -166.6 | 4.7 | 112.1 | P15 V16 L17 N22 A23 | P15-R19 WeakPolarHBondContact O-CG 3.28Å; P15-R19 PolarHBondContact O-N 2.91Å; V16-R19 PolarHBondContact O-N 2.97Å; L17-R19 VanDerWaalsContact C-N 3.29Å; L17-R19 PolarHBondContact O-N 3.02Å; R19-N22 PolarHBondContact O-N 3.41Å; R19-A23 WeakPolarHBondContact O-CB 3.17Å; R19-A23 PolarHBondContact O-N 2.73Å |
| 20 | L | 64.4 | Low | 57.2 | Low | 118 Ų | 118 | 106.1 Ų | 106.1 | 62% | 0.618 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.5 | -41.6 | 179 | -135.9 | 93.5 | 0 | 0 | 0 | 112 | V16 L17 A23 G24 | V16-L20 PolarHBondContact O-N 3.07Å; V16-L20 VanDerWaalsContact O-N 3.07Å; L17-L20 PolarHBondContact O-N 3.26Å; L17-L20 VanDerWaalsContact O-N 3.15Å; L20-A23 PolarHBondContact O-N 2.85Å; L20-G24 PolarHBondContact O-N 2.71Å |
| 21 | F | 59.7 | Low | 56.8 | Low | 149 Ų | 149 | 104.5 Ų | 104.5 | 65% | 0.654 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.1 | -38.8 | 179.6 | -164.5 | -100.9 | 0 | 0 | 0 | 111.6 | L17 G24 R25 | L17-F21 WeakPolarHBondContact O-CB 3.48Å; L17-F21 PolarHBondContact O-N 2.8Å; F21-G24 PolarHBondContact O-N 2.77Å; F21-R25 WeakPolarHBondContact O-CB 3.04Å; F21-R25 PolarHBondContact O-N 3.47Å; F21-R25 VanDerWaalsContact O-N 3.1Å |
| 22 | N | 59.6 | Low | 56.2 | Low | 118 Ų | 118 | 101.3 Ų | 101.3 | 63% | 0.631 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69 | -36.7 | 175.2 | -126.4 | -13.7 | 0 | 0 | 0 | 112.3 | S18 R19 R25 S26 | S18-N22 WeakPolarHBondContact O-CB 3.12Å; S18-N22 PolarHBondContact O-N 3.3Å; S18-N22 VanDerWaalsContact O-N 3.09Å; R19-N22 PolarHBondContact O-N 3.41Å; N22-R25 PolarHBondContact O-N 2.78Å; N22-S26 PolarHBondContact O-N 3.1Å; N22-S26 PolarHBondContact O-OG 3.33Å |
| 23 | A | 56.5 | Low | 55.6 | Low | 65 Ų | 65 | 102.9 Ų | 102.9 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.4 | -37.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R19 L20 S26 | R19-A23 WeakPolarHBondContact O-CB 3.17Å; R19-A23 PolarHBondContact O-N 2.73Å; L20-A23 PolarHBondContact O-N 2.85Å; A23-S26 PolarHBondContact O-OG 3.48Å; A23-S26 VanDerWaalsContact O-OG 3.09Å |
| 24 | G | 54.3 | Low | 55 | Low | 41 Ų | 41 | 104.2 Ų | 104.2 | 42% | 0.423 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.6 | -33.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L20 F21 | L20-G24 PolarHBondContact O-N 2.71Å; F21-G24 PolarHBondContact O-N 2.77Å |
| 25 | R | 54.4 | Low | 54.4 | Low | 177 Ų | 177 | 107.8 Ų | 107.8 | 67% | 0.668 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.3 | -25.8 | -177.6 | -151.8 | 172 | 175 | 155 | -0.6 | 113.3 | F21 N22 | F21-R25 WeakPolarHBondContact O-CB 3.04Å; F21-R25 PolarHBondContact O-N 3.47Å; F21-R25 VanDerWaalsContact O-N 3.1Å; N22-R25 PolarHBondContact O-N 2.78Å |
| 26 | S | 52.6 | Low | 53.7 | Low | 89 Ų | 89 | 108.9 Ų | 108.9 | 62% | 0.622 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -81.8 | -18.5 | 178.6 | 34.4 | 0 | 0 | 0 | 0 | 113.7 | N22 A23 | N22-S26 PolarHBondContact O-N 3.1Å; N22-S26 PolarHBondContact O-OG 3.33Å; A23-S26 PolarHBondContact O-OG 3.48Å; A23-S26 VanDerWaalsContact O-OG 3.09Å |
| 27 | G | 45.8 | Very low | 52.9 | Low | 54 Ų | 54 | 107 Ų | 107 | 56% | 0.557 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -86.9 | -28.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 28 | L | 47.8 | Very low | 52.2 | Low | 140 Ų | 140 | 108.6 Ų | 108.6 | 73% | 0.733 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -85.5 | -19.1 | -175 | -86.1 | 155.5 | 0 | 0 | 0 | 114.1 | R30 | L28-R30 VanDerWaalsContact C-N 3.34Å; L28-R30 PolarHBondContact O-N 3.46Å |
| 29 | S | 46.4 | Very low | 51.8 | Low | 75 Ų | 75 | 109.5 Ų | 109.5 | 52% | 0.524 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.2 | -16.6 | -178.4 | -161.9 | 0 | 0 | 0 | 0 | 114 | | |
| 30 | R | 47.5 | Very low | 51.1 | Low | 235 Ų | 235 | 105.5 Ų | 105.5 | 89% | 0.887 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -17.1 | -176.1 | -148.3 | 174.2 | -178 | 174.3 | 0.1 | 113.9 | L28 | L28-R30 VanDerWaalsContact C-N 3.34Å; L28-R30 PolarHBondContact O-N 3.46Å |
| 31 | A | 48 | Very low | 50.4 | Low | 81 Ų | 81 | 109 Ų | 109 | 67% | 0.669 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -13.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 32 | G | 43.9 | Very low | 50 | Low | 46 Ų | 46 | 105.1 Ų | 105.1 | 47% | 0.474 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -101.3 | -6.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 33 | Q | 49 | Very low | 49.7 | Very low | 137 Ų | 137 | 107 Ų | 107 | 64% | 0.64 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -94.2 | -3.5 | -173.6 | -158.9 | 156.9 | -35.2 | 0 | 0 | 113.8 | | |
| 34 | A | 49 | Very low | 49.4 | Very low | 73 Ų | 73 | 108.2 Ų | 108.2 | 60% | 0.603 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -83.6 | -23.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 35 | H | 49 | Very low | 49.3 | Very low | 138 Ų | 138 | 110.6 Ų | 110.6 | 64% | 0.639 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -103.5 | -13.9 | -174.8 | -71.4 | -72.1 | 0 | 0 | 0 | 114.7 | | |
| 36 | T | 50.3 | Low | 49 | Very low | 90 Ų | 90 | 109.6 Ų | 109.6 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -90.7 | -13.7 | -179.6 | 49.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 37 | A | 45 | Very low | 48.6 | Very low | 52 Ų | 52 | 110.8 Ų | 110.8 | 43% | 0.43 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -82.7 | -12.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 38 | E | 48 | Very low | 48.2 | Very low | 139 Ų | 139 | 115.3 Ų | 115.3 | 65% | 0.65 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -92.9 | -34 | 179 | -155.6 | 177.5 | 180 | 0 | 0 | 111.8 | V40 R41 A42 | E38-V40 PolarHBondContact O-N 3.46Å; E38-R41 PolarHBondContact O-N 3.46Å; E38-A42 PolarHBondContact O-N 2.86Å; E38-A42 VanDerWaalsContact O-N 3.1Å |
| 39 | V | 52.5 | Low | 48 | Very low | 89 Ų | 89 | 113 Ų | 113 | 54% | 0.539 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -70.3 | -31.3 | 177.3 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 40 | V | 50.7 | Low | 47.9 | Very low | 110 Ų | 110 | 114 Ų | 114 | 67% | 0.667 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -78.2 | -24.9 | 176.2 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | E38 | E38-V40 PolarHBondContact O-N 3.46Å |
| 41 | R | 48.4 | Very low | 47.8 | Very low | 192 Ų | 192 | 108 Ų | 108 | 73% | 0.725 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -80.1 | -26.3 | 171.6 | -86.6 | -170.9 | -179.3 | 90.5 | -2.2 | 113.3 | E38 | E38-R41 PolarHBondContact O-N 3.46Å |
| 42 | A | 50.9 | Low | 47.9 | Very low | 67 Ų | 67 | 112.5 Ų | 112.5 | 55% | 0.554 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.9 | -21.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E38 | E38-A42 PolarHBondContact O-N 2.86Å; E38-A42 VanDerWaalsContact O-N 3.1Å |
| 43 | Q | 54 | Low | 47.8 | Very low | 157 Ų | 157 | 119 Ų | 119 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -8.1 | 177.9 | -71.8 | -169.9 | -2.4 | 0 | 0 | 114.3 | S45 | Q43-S45 VanDerWaalsContact C-N 3.32Å; Q43-S45 PolarHBondContact O-N 3.4Å |
| 44 | A | 51.2 | Low | 47.5 | Very low | 90 Ų | 90 | 116.1 Ų | 116.1 | 74% | 0.744 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 4.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 45 | S | 51.5 | Low | 47.7 | Very low | 91 Ų | 91 | 118.2 Ų | 118.2 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | | | trans | -119.4 | 5.9 | -165.5 | -30.4 | 0 | 0 | 0 | 0 | 115.2 | Q43 | Q43-S45 VanDerWaalsContact C-N 3.32Å; Q43-S45 PolarHBondContact O-N 3.4Å |
| 46 | L | 47.7 | Very low | 47.6 | Very low | 156 Ų | 156 | 121.2 Ų | 121.2 | 82% | 0.817 | 71% | 0.707 | S | S | * | * | | | trans | -101.6 | 119.5 | -176.3 | -83.4 | 163 | 0 | 0 | 0 | 112 | | |
| 47 | P | 43.5 | Very low | 47.6 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | | | trans | -83.9 | 144.3 | -173.7 | 33 | -32.9 | 0 | 0 | 0 | 113.1 | | |
| 48 | T | 38.1 | Very low | 47.6 | Very low | 148 Ų | 148 | 133 Ų | 133 | 91% | 0.908 | 74% | 0.742 | S | S | * | * | | | trans | -38.6 | 123.3 | 163.3 | -46.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 49 | A | 44 | Very low | 47.9 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -163.5 | 134.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 50 | A | 43.2 | Very low | 47.8 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | 66.1 | 103.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 51 | S | 45.7 | Very low | 47.7 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | | 50.2 | 91.5 | 61.7 | -169 | 0 | 0 | 0 | 0 | 112.8 | | |
| 52 | E | 50.7 | Low | 47.9 | Very low | 176 Ų | 176 | 133 Ų | 133 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | | -179.7 | 142.4 | 125.4 | -109.2 | 170.2 | 134.8 | 0 | 0 | 113.4 | | |
| 53 | E | 40.8 | Very low | 47.9 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | trans | 68 | 118.8 | 155.2 | -76.5 | -166.4 | 116 | 0 | 0 | 123.6 | | |
| 54 | A | 43.8 | Very low | 47.8 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | | | trans | -76.1 | -172.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 55 | P | 53 | Low | 47.9 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | cis | -148.5 | 134.3 | 47.8 | 33.8 | -8.7 | 0 | 0 | 0 | 118.4 | | |
| 56 | R | 47.5 | Very low | 47.8 | Very low | 201 Ų | 201 | 154.7 Ų | 154.7 | 76% | 0.758 | 82% | 0.82 | S | S | * | * | | | | 51.9 | 114.3 | 123.4 | -53.4 | -164.2 | 172.4 | -163.4 | -0.7 | 120.8 | | |
| 57 | L | 49 | Very low | 47.7 | Very low | 178 Ų | 178 | 159.6 Ų | 159.6 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | | | trans | -133.5 | 113.6 | 137 | -94.2 | 161.2 | 0 | 0 | 0 | 108.4 | | |
| 58 | R | 45.8 | Very low | 47.6 | Very low | 213 Ų | 213 | 157.5 Ų | 157.5 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | | | trans | -98.9 | 128.7 | 175 | -78.2 | -166.5 | 172.1 | 174.6 | -2 | 108.9 | | |
| 59 | V | 53.4 | Low | 48.2 | Very low | 150 Ų | 150 | 154.8 Ų | 154.8 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | -114.8 | 115.2 | 161.6 | 176.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 60 | A | 50.6 | Low | 48.4 | Very low | 83 Ų | 83 | 158.6 Ų | 158.6 | 69% | 0.686 | 83% | 0.827 | S | S | * | * | | | trans | -99.3 | 150.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 61 | D | 49.8 | Very low | 48.7 | Very low | 146 Ų | 146 | 162.2 Ų | 162.2 | 78% | 0.781 | 83% | 0.828 | S | S | * | * | | | trans | 41.4 | 108 | 150.3 | -85.6 | -37.4 | 0 | 0 | 0 | 121.4 | | |
| 62 | V | 53 | Low | 49.1 | Very low | 151 Ų | 151 | 162.9 Ų | 162.9 | 92% | 0.915 | 83% | 0.83 | S | S | * | * | | | trans | -136.9 | 78.4 | 142.9 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 63 | R | 49.1 | Very low | 48.7 | Very low | 224 Ų | 224 | 165.6 Ų | 165.6 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | | | trans | -136.8 | 141.3 | 161.6 | -79.5 | -173.2 | 174.2 | 173.9 | -0.6 | 108.2 | | |
| 64 | Q | 52.8 | Low | 48.8 | Very low | 193 Ų | 193 | 161.4 Ų | 161.4 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | | | trans | 93.4 | 85.6 | 169.8 | -56.3 | 174.8 | -20.4 | 0 | 0 | 117.7 | | |
| 65 | Q | 53 | Low | 48.9 | Very low | 188 Ų | 188 | 169.5 Ų | 169.5 | 88% | 0.879 | 84% | 0.843 | S | S | * | * | | | trans | -158.7 | 37.2 | 149.5 | -146.9 | 178.6 | -27.5 | 0 | 0 | 116.9 | | |
| 66 | R | 49.2 | Very low | 48.9 | Very low | 255 Ų | 255 | 169.4 Ų | 169.4 | 96% | 0.962 | 85% | 0.845 | S | S | * | * | | | trans | -136.9 | 75.2 | 165.8 | -70.1 | -164.8 | -176.6 | -163.2 | 2.4 | 112.2 | | |
| 67 | R | 45.1 | Very low | 49.1 | Very low | 258 Ų | 258 | 171.4 Ų | 171.4 | 97% | 0.974 | 85% | 0.852 | S | S | * | * | | | trans | -126.6 | 133.5 | 154.7 | -82.1 | -170.3 | -179.4 | -176.3 | 1.2 | 107.3 | | |
| 68 | G | 43.2 | Very low | 48.7 | Very low | 71 Ų | 71 | 168.9 Ų | 168.9 | 73% | 0.732 | 85% | 0.847 | S | S | * | * | | | trans | 152.8 | 77.2 | -179 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 69 | A | 49.2 | Very low | 48.5 | Very low | 92 Ų | 92 | 164.1 Ų | 164.1 | 76% | 0.76 | 85% | 0.853 | S | S | * | * | | | | 57.6 | 98.2 | 80.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 70 | D | 49.5 | Very low | 48.1 | Very low | 172 Ų | 172 | 160 Ų | 160 | 92% | 0.92 | 84% | 0.84 | S | S | * | * | | | trans | -173.2 | 119.8 | 135.8 | -90.8 | -24.6 | 0 | 0 | 0 | 110.5 | | |
| 71 | Q | 49.6 | Very low | 47.8 | Very low | 171 Ų | 171 | 164.3 Ų | 164.3 | 80% | 0.799 | 85% | 0.846 | S | S | * | * | | | trans | -134.6 | 132 | 168.2 | -154.6 | -152.1 | 95 | 0 | 0 | 106.5 | | |
| 72 | P | 53 | Low | 47.7 | Very low | 124 Ų | 124 | 165.2 Ų | 165.2 | 81% | 0.805 | 85% | 0.851 | S | S | * | * | | | trans | -123.8 | 131.6 | 157.6 | 26.3 | -9.4 | 0 | 0 | 0 | 112.6 | | |
| 73 | R | 41.9 | Very low | 47.3 | Very low | 233 Ų | 233 | 162.5 Ų | 162.5 | 88% | 0.879 | 85% | 0.845 | S | S | * | * | | | trans | -71.2 | 145.2 | 163.6 | -75.1 | 170.7 | 163.3 | 174.7 | -4.8 | 110.9 | | |
| 74 | A | 42.7 | Very low | 47.2 | Very low | 93 Ų | 93 | 158.4 Ų | 158.4 | 77% | 0.769 | 85% | 0.845 | S | S | * | * | | | trans | 169.2 | 109.5 | 134.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 75 | R | 46.8 | Very low | 47 | Very low | 248 Ų | 248 | 155.2 Ų | 155.2 | 94% | 0.936 | 84% | 0.841 | S | S | * | * | | | | 59.5 | 105.1 | 100 | -88.5 | -173.3 | 177.8 | -173 | -0.2 | 115.6 | | |
| 76 | S | 52 | Low | 46.6 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | | | | -177.1 | 114.9 | 129.9 | 46.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 77 | R | 52.6 | Low | 46.7 | Very low | 243 Ų | 243 | 147 Ų | 147 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | | | trans | 60.8 | 129.2 | 137.6 | -70.6 | 176.6 | 127.2 | 144.6 | -3.2 | 122.8 | | |
| 78 | P | 41.3 | Very low | 46.7 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | | | trans | -101.1 | 154.4 | 150.3 | 37.1 | -26.1 | 0 | 0 | 0 | 111.7 | | |
| 79 | A | 41.7 | Very low | 46.7 | Very low | 112 Ų | 112 | 148.7 Ų | 148.7 | 93% | 0.926 | 83% | 0.831 | S | S | * | * | | | trans | 145.5 | 141.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 80 | G | 43.9 | Very low | 47 | Very low | 63 Ų | 63 | 149 Ų | 149 | 65% | 0.649 | 83% | 0.827 | S | S | * | * | | | trans | 124.2 | 86.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 81 | E | 44.2 | Very low | 47.3 | Very low | 175 Ų | 175 | 145.7 Ų | 145.7 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | | 75.8 | 142.4 | 74.9 | -67.9 | 179.4 | 155.2 | 0 | 0 | 114 | | |
| 82 | N | 48 | Very low | 47.3 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | | | trans | 94.2 | 132.4 | 172 | -44.5 | -34.1 | 0 | 0 | 0 | 115.7 | | |
| 83 | A | 45 | Very low | 47.1 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | | | cis | -172.1 | 136 | -14.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 84 | T | 46.4 | Very low | 47.3 | Very low | 138 Ų | 138 | 148.1 Ų | 148.1 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | | | trans | -68.8 | 175.5 | 164 | -2.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 85 | P | 48.6 | Very low | 47.6 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | | | cis | -147.2 | 178.9 | 24.3 | 36.8 | -13.2 | 0 | 0 | 0 | 117.3 | | |
| 86 | G | 44.1 | Very low | 47.3 | Very low | 68 Ų | 68 | 142.3 Ų | 142.3 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | | | trans | 142.7 | 121.6 | 138.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 87 | K | 51.7 | Low | 46.9 | Very low | 201 Ų | 201 | 143.4 Ų | 143.4 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | | | trans | 81.9 | 104.5 | 147.9 | -56.1 | -175.4 | -179 | -175.2 | 0 | 117.5 | | |
| 88 | R | 44.7 | Very low | 46.9 | Very low | 248 Ų | 248 | 136 Ų | 136 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | | | | 72.8 | 104.9 | 76.6 | -79.4 | -169.2 | -171.2 | -179.8 | 3.2 | 114.3 | | |
| 89 | S | 44.6 | Very low | 47.3 | Very low | 118 Ų | 118 | 135 Ų | 135 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | 163.9 | 144 | 140.5 | -115.4 | 0 | 0 | 0 | 0 | 106.6 | | |
| 90 | S | 54.7 | Low | 47.6 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | | | cis | 172.1 | 147.3 | -3.4 | 39.7 | 0 | 0 | 0 | 0 | 104.6 | | |
| 91 | S | 56.9 | Low | 47.5 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | | | trans | 69.6 | 98.8 | 156.7 | -178.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 92 | D | 49.2 | Very low | 47.5 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | | | | 68.8 | 126 | 78.6 | -73.9 | -39.7 | 0 | 0 | 0 | 115.4 | | |
| 93 | R | 48.7 | Very low | 47.3 | Very low | 237 Ų | 237 | 140.7 Ų | 140.7 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | | | trans | 89.2 | 81.6 | 156.2 | -67.3 | 173.9 | -177.4 | 156.2 | 2 | 118.8 | | |
| 94 | Q | 46.3 | Very low | 47.1 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 94% | 0.935 | 80% | 0.795 | S | S | * | * | | | trans | -17.4 | 119.2 | 136.6 | -64.6 | 165.6 | -13.3 | 0 | 0 | 115 | | |
| 95 | S | 47.3 | Very low | 47.4 | Very low | 123 Ų | 123 | 142 Ų | 142 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -151.3 | 140.5 | 145.9 | -158.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 96 | A | 41.8 | Very low | 47 | Very low | 96 Ų | 96 | 141 Ų | 141 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | | | trans | -55.7 | 122.9 | -157.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 97 | T | 43.9 | Very low | 47.1 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | | | trans | -149.4 | 95.3 | 149.2 | -53.6 | 0 | 0 | 0 | 0 | 107.1 | P99 | T97-P99 WeakPolarHBondContact O-CD 3.46Š|
| 98 | A | 52.1 | Low | 46.7 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | | | trans | -92.7 | 117.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 99 | P | 48.8 | Very low | 46.7 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | | | trans | -85.4 | 112.4 | 155.9 | 32.2 | -23.8 | 0 | 0 | 0 | 106.9 | T97 T101 | T97-P99 WeakPolarHBondContact O-CD 3.46Å; P99-T101 VanDerWaalsContact C-N 3.25Å; P99-T101 PolarHBondContact O-N 2.77Å |
| 100 | N | 48.8 | Very low | 46.6 | Very low | 164 Ų | 164 | 132.3 Ų | 132.3 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | trans | -64.3 | 85.3 | 175.6 | -81.4 | -17.3 | 0 | 0 | 0 | 110.3 | | |
| 101 | T | 41.8 | Very low | 46 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | | | trans | -140.8 | 57.9 | 177.4 | -26.8 | 0 | 0 | 0 | 0 | 110.8 | P99 | P99-T101 VanDerWaalsContact C-N 3.25Å; P99-T101 PolarHBondContact O-N 2.77Å |
| 102 | L | 44.9 | Very low | 45.8 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | | | trans | -153.9 | 140.1 | 169.3 | -75.9 | 176.9 | 0 | 0 | 0 | 104.8 | | |
| 103 | R | 43 | Very low | 45.8 | Very low | 208 Ų | 208 | 141 Ų | 141 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | cis | -178.7 | 146.6 | 27.1 | -128 | 160.2 | 167.8 | 166.6 | -9.6 | 106.4 | | |
| 104 | S | 40.3 | Very low | 46.1 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | | | trans | 33.2 | 125.1 | 149.7 | 66.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 105 | I | 53.2 | Low | 46.5 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | | | | -165.3 | 120.4 | 92.2 | -79.6 | 140 | 0 | 0 | 0 | 107.9 | | |
| 106 | S | 39.3 | Very low | 46.8 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | trans | -68.5 | 177.2 | 165 | -52.5 | 0 | 0 | 0 | 0 | 111 | | |
| 107 | P | 46.9 | Very low | 47.1 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | | | cis | -138.5 | 171.6 | 1.1 | 33.3 | -11.4 | 0 | 0 | 0 | 114.5 | | |
| 108 | T | 44.1 | Very low | 47.8 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | | | trans | 83.9 | 94.9 | 165 | -25.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 109 | G | 43.2 | Very low | 48.1 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | trans | 152.9 | 76.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 110 | S | 44.3 | Very low | 48.5 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | trans | -56 | 142.7 | 166.2 | 47.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 111 | A | 41.3 | Very low | 48.7 | Very low | 92 Ų | 92 | 125.7 Ų | 125.7 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | | | trans | 86.9 | 64.9 | 148.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 112 | L | 53.2 | Low | 49.6 | Very low | 174 Ų | 174 | 124.3 Ų | 124.3 | 91% | 0.911 | 74% | 0.738 | S | S | * | * | | | trans | -131.8 | 82 | 164.4 | -71.9 | 174.3 | 0 | 0 | 0 | 113.2 | A114 | L112-A114 PolarHBondContact O-N 3.24Š|
| 113 | R | 49.3 | Very low | 50.3 | Low | 257 Ų | 257 | 122 Ų | 122 | 97% | 0.97 | 73% | 0.732 | S | S | * | * | | | trans | -80.6 | 90 | 163.6 | -155.2 | -176.3 | -167.8 | -116.7 | 3.9 | 106.8 | N115 | R113-N115 PolarHBondContact O-N 2.94Š|
| 114 | A | 53.3 | Low | 51.1 | Low | 97 Ų | 97 | 120 Ų | 120 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | | | trans | -77.3 | 115.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L112 | L112-A114 PolarHBondContact O-N 3.24Š|
| 115 | N | 55 | Low | 51.8 | Low | 124 Ų | 124 | 119.9 Ų | 119.9 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | | | trans | -73.2 | 124.8 | 170 | 176.6 | 19.6 | 0 | 0 | 0 | 109.9 | R113 C117 | R113-N115 PolarHBondContact O-N 2.94Å; N115-C117 VanDerWaalsContact C-N 3.3Å; N115-C117 PolarHBondContact ND2-SG 3.42Å; N115-C117 PolarHBondContact O-N 3.42Å |
| 116 | P | 55 | Low | 52 | Low | 117 Ų | 117 | 118.4 Ų | 118.4 | 76% | 0.76 | 71% | 0.711 | S | S | * | * | | | trans | -77.4 | 82.1 | 176.8 | 32.8 | -32.4 | 0 | 0 | 0 | 109.6 | S118 | P116-S118 PolarHBondContact O-N 2.7Š|
| 117 | C | 48.2 | Very low | 53.2 | Low | 58 Ų | 58 | 117.5 Ų | 117.5 | 39% | 0.392 | 70% | 0.697 | S | S | . | * | | | trans | -77 | 102.6 | 162.8 | -67.3 | 0 | 0 | 0 | 0 | 107.8 | N115 E119 R126 | N115-C117 VanDerWaalsContact C-N 3.3Å; N115-C117 PolarHBondContact ND2-SG 3.42Å; N115-C117 PolarHBondContact O-N 3.42Å; C117-E119 PolarHBondContact O-N 2.95Å; C117-R126 PolarHBondContact O-NH2 3.38Å |
| 118 | S | 57 | Low | 53.7 | Low | 78 Ų | 78 | 116.1 Ų | 116.1 | 55% | 0.545 | 69% | 0.688 | S | S | . | * | | | trans | -54.2 | 137.2 | 174.6 | 46.5 | 0 | 0 | 0 | 0 | 111.2 | P116 G120 T121 R126 | P116-S118 PolarHBondContact O-N 2.7Å; S118-G120 PolarHBondContact O-N 3.46Å; S118-T121 PolarHBondContact OG-OG1 3.49Å; S118-R126 PolarHBondContact O-NH2 2.94Å |
| 119 | E | 59.1 | Low | 54.4 | Low | 199 Ų | 199 | 115.2 Ų | 115.2 | 93% | 0.93 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 43.5 | -169.6 | -165.2 | 156.4 | -174.5 | 0 | 0 | 112.8 | C117 | C117-E119 PolarHBondContact O-N 2.95Š|
| 120 | G | 57.2 | Low | 55 | Low | 75 Ų | 75 | 115.7 Ų | 115.7 | 77% | 0.773 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167.5 | 16.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | S118 | S118-G120 PolarHBondContact O-N 3.46Š|
| 121 | T | 53.8 | Low | 55.6 | Low | 80 Ų | 80 | 112.2 Ų | 112.2 | 49% | 0.491 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -122.9 | 112.2 | -172.6 | -33.3 | 0 | 0 | 0 | 0 | 110.3 | S118 | S118-T121 PolarHBondContact OG-OG1 3.49Š|
| 122 | D | 59.4 | Low | 56.3 | Low | 88 Ų | 88 | 111.9 Ų | 111.9 | 47% | 0.471 | 63% | 0.632 | S | S | . | * | | | trans | 14.6 | 120.1 | 167.7 | -146.7 | 50.9 | 0 | 0 | 0 | 117.4 | F124 C125 | D122-F124 PolarHBondContact O-N 3.3Å; D122-F124 WeakPolarHBondContact OD2-CB 3.4Å; D122-F124 WeakPolarHBondContact OD2-CD2 3.14Å; D122-C125 HydrophobicContact CB-CB 4.37Å; D122-C125 WeakPolarHBondContact O-CB 3.33Å; D122-C125 PolarHBondContact O-N 3.4Å |
| 123 | P | 61.1 | Low | 56.4 | Low | 95 Ų | 95 | 110.3 Ų | 110.3 | 62% | 0.617 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -20.3 | -179 | 23.2 | -32.1 | 0 | 0 | 0 | 113.4 | C125 | P123-C125 VanDerWaalsContact C-N 3.32Š|
| 124 | F | 59 | Low | 56.5 | Low | 168 Ų | 168 | 104.8 Ų | 104.8 | 74% | 0.737 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -19.2 | 174.2 | -60.2 | -78.2 | 0 | 0 | 0 | 113.5 | D122 | D122-F124 PolarHBondContact O-N 3.3Å; D122-F124 WeakPolarHBondContact OD2-CB 3.4Å; D122-F124 WeakPolarHBondContact OD2-CD2 3.14Å |
| 125 | C | 55.4 | Low | 56.8 | Low | 93 Ų | 93 | 108.8 Ų | 108.8 | 63% | 0.628 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -9.1 | -179.8 | -63.6 | 0 | 0 | 0 | 0 | 113.7 | D122 P123 | D122-C125 HydrophobicContact CB-CB 4.37Å; D122-C125 WeakPolarHBondContact O-CB 3.33Å; D122-C125 PolarHBondContact O-N 3.4Å; P123-C125 VanDerWaalsContact C-N 3.32Å |
| 126 | R | 56.8 | Low | 56.9 | Low | 134 Ų | 134 | 107 Ų | 107 | 51% | 0.506 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -91.7 | -12.7 | 173.7 | -73.8 | -156.4 | -179.3 | -169.9 | -0.8 | 114.4 | C117 S118 P128 | C117-R126 PolarHBondContact O-NH2 3.38Å; S118-R126 PolarHBondContact O-NH2 2.94Å; R126-P128 VanDerWaalsContact O-CD 3.23Å; R126-P128 WeakPolarHBondContact O-CD 3.37Å |
| 127 | L | 64.3 | Low | 57 | Low | 86 Ų | 86 | 107.9 Ų | 107.9 | 45% | 0.45 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -76.6 | 117.2 | 170.4 | -90.3 | 80.3 | 0 | 0 | 0 | 107.8 | L129 L132 | L127-L129 PolarHBondContact O-N 3.3Å; L127-L132 HydrophobicContact CB-CD1 4.39Å; L127-L132 HydrophobicContact CD2-CD1 3.58Å; L127-L132 HydrophobicContact CD2-CD2 3.62Å; L127-L132 HydrophobicContact CD2-CG 3.63Å |
| 128 | P | 58 | Low | 57.4 | Low | 82 Ų | 82 | 107.9 Ų | 107.9 | 53% | 0.532 | 60% | 0.596 | S | S | . | * | | | trans | -58.1 | 113.1 | 163.8 | 23.6 | -26.8 | 0 | 0 | 0 | 105.2 | R126 S130 A131 | R126-P128 VanDerWaalsContact O-CD 3.23Å; R126-P128 WeakPolarHBondContact O-CD 3.37Å; P128-S130 PolarHBondContact O-N 3.4Å; P128-A131 HydrophobicContact CG-CB 3.75Å; P128-A131 PolarHBondContact O-N 3.45Å |
| 129 | L | 58.4 | Low | 57.4 | Low | 127 Ų | 127 | 109.7 Ų | 109.7 | 67% | 0.665 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -46 | -33.6 | 175.8 | -84.8 | 149.1 | 0 | 0 | 0 | 110.3 | L127 A131 L132 F133 | L127-L129 PolarHBondContact O-N 3.3Å; L129-A131 VanDerWaalsContact C-N 3.31Å; L129-A131 PolarHBondContact O-N 3.35Å; L129-L132 PolarHBondContact O-N 3.31Å; L129-F133 HydrophobicContact CD2-CE2 4.34Å; L129-F133 WeakPolarHBondContact O-CD2 3.37Å; L129-F133 PolarHBondContact O-N 3.49Å |
| 130 | S | 55.8 | Low | 57.6 | Low | 87 Ų | 87 | 105 Ų | 105 | 61% | 0.608 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.3 | -14.6 | 175.5 | -45.3 | 0 | 0 | 0 | 0 | 116.7 | P128 N134 | P128-S130 PolarHBondContact O-N 3.4Å; S130-N134 WeakPolarHBondContact O-CB 3.25Å; S130-N134 PolarHBondContact O-N 3.47Å; S130-N134 PolarHBondContact O-ND2 2.86Å |
| 131 | A | 56.4 | Low | 58 | Low | 46 Ų | 46 | 105.8 Ų | 105.8 | 38% | 0.38 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -91.3 | -26.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P128 L129 F133 | P128-A131 HydrophobicContact CG-CB 3.75Å; P128-A131 PolarHBondContact O-N 3.45Å; L129-A131 VanDerWaalsContact C-N 3.31Å; L129-A131 PolarHBondContact O-N 3.35Å; A131-F133 VanDerWaalsContact C-N 3.3Å |
| 132 | L | 56.2 | Low | 58.8 | Low | 84 Ų | 84 | 104.1 Ų | 104.1 | 44% | 0.44 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72 | -26.9 | 171.6 | -72.6 | 173 | 0 | 0 | 0 | 112.1 | L127 L129 | L127-L132 HydrophobicContact CB-CD1 4.39Å; L127-L132 HydrophobicContact CD2-CD1 3.58Å; L127-L132 HydrophobicContact CD2-CD2 3.62Å; L127-L132 HydrophobicContact CD2-CG 3.63Å; L129-L132 PolarHBondContact O-N 3.31Å |
| 133 | F | 56.1 | Low | 59.3 | Low | 142 Ų | 142 | 103.7 Ų | 103.7 | 62% | 0.623 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 1.1 | -179.6 | -65.2 | -72.1 | 0 | 0 | 0 | 114.9 | L129 A131 A138 | L129-F133 HydrophobicContact CD2-CE2 4.34Å; L129-F133 WeakPolarHBondContact O-CD2 3.37Å; L129-F133 PolarHBondContact O-N 3.49Å; A131-F133 VanDerWaalsContact C-N 3.3Å; F133-A138 WeakPolarHBondContact O-CB 3.38Å |
| 134 | N | 50.8 | Low | 59.7 | Low | 141 Ų | 141 | 104 Ų | 104 | 75% | 0.754 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -7.1 | 170.4 | -99.1 | -41.9 | 0 | 0 | 0 | 113.5 | S130 | S130-N134 WeakPolarHBondContact O-CB 3.25Å; S130-N134 PolarHBondContact O-N 3.47Å; S130-N134 PolarHBondContact O-ND2 2.86Å |
| 135 | W | 60.2 | Low | 60.4 | Low | 180 Ų | 180 | 100.6 Ų | 100.6 | 68% | 0.682 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -64.6 | 146.5 | 159.6 | -110.5 | -56.3 | 0 | 0 | 0 | 107.5 | E137 | W135-E137 PolarHBondContact O-N 3.09Š|
| 136 | P | 55.9 | Low | 61.4 | Low | 88 Ų | 88 | 104.4 Ų | 104.4 | 57% | 0.571 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 14.9 | -159.5 | 29.9 | -35.5 | 0 | 0 | 0 | 116 | H140 | P136-H140 PolarHBondContact O-CD2 3.47Š|
| 137 | E | 57.3 | Low | 62 | Low | 135 Ų | 135 | 103.3 Ų | 103.3 | 63% | 0.631 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -80 | -20.6 | 177 | -159.7 | 163.8 | -170.7 | 0 | 0 | 112.8 | W135 H140 L141 | W135-E137 PolarHBondContact O-N 3.09Å; E137-H140 CarbonylContact O-C 3.56Å; E137-H140 PolarHBondContact O-N 3.38Å; E137-L141 HydrophobicContact CG-CD1 4.28Å; E137-L141 WeakPolarHBondContact O-CD1 3.48Å; E137-L141 PolarHBondContact O-N 3.1Å |
| 138 | A | 57.4 | Low | 62.4 | Low | 58 Ų | 58 | 106.5 Ų | 106.5 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -75.9 | -27.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | F133 H140 | F133-A138 WeakPolarHBondContact O-CB 3.38Å; A138-H140 VanDerWaalsContact C-N 3.33Å |
| 139 | V | 56.7 | Low | 63 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 70% | 0.697 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -75.2 | -29.1 | 171.1 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 140 | H | 63.5 | Low | 63.6 | Low | 102 Ų | 102 | 110.2 Ų | 110.2 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -93.6 | -5.7 | -178.4 | -62 | -16.8 | 0 | 0 | 0 | 113.8 | P136 E137 A138 G142 D143 L144 | P136-H140 PolarHBondContact O-CD2 3.47Å; E137-H140 CarbonylContact O-C 3.56Å; E137-H140 PolarHBondContact O-N 3.38Å; A138-H140 VanDerWaalsContact C-N 3.33Å; H140-G142 VanDerWaalsContact C-N 3.3Å; H140-G142 PolarHBondContact O-N 3.36Å; H140-D143 IonicContact ND1-OD2 3.8Å; H140-D143 PolarHBondContact O-N 2.93Å; H140-L144 WeakPolarHBondContact O-CB 3.47Å; H140-L144 PolarHBondContact O-N 3.09Å |
| 141 | L | 65.6 | Low | 64 | Low | 91 Ų | 91 | 107.8 Ų | 107.8 | 48% | 0.476 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 173.9 | -128.8 | 79.3 | 0 | 0 | 0 | 111.4 | E137 L144 L145 | E137-L141 HydrophobicContact CG-CD1 4.28Å; E137-L141 WeakPolarHBondContact O-CD1 3.48Å; E137-L141 PolarHBondContact O-N 3.1Å; L141-L144 PolarHBondContact O-N 3.5Å; L141-L145 WeakPolarHBondContact O-CB 3.44Å; L141-L145 VanDerWaalsContact O-CG 3.25Å; L141-L145 WeakPolarHBondContact O-CG 3.47Å; L141-L145 PolarHBondContact O-N 2.85Å |
| 142 | G | 71.7 | Confident | 64.2 | Low | 45 Ų | 45 | 106.4 Ų | 106.4 | 46% | 0.464 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | H140 L145 R146 | H140-G142 VanDerWaalsContact C-N 3.3Å; H140-G142 PolarHBondContact O-N 3.36Å; G142-L145 PolarHBondContact O-N 2.98Å; G142-R146 VanDerWaalsContact O-CB 3.28Å; G142-R146 WeakPolarHBondContact O-CB 3.35Å; G142-R146 PolarHBondContact O-N 3.07Å |
| 143 | D | 70 | Confident | 64.3 | Low | 79 Ų | 79 | 107.5 Ų | 107.5 | 42% | 0.422 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.7 | -38.7 | 175.6 | -68.9 | -33.6 | 0 | 0 | 0 | 111.8 | H140 R146 I147 | H140-D143 IonicContact ND1-OD2 3.8Å; H140-D143 PolarHBondContact O-N 2.93Å; D143-R146 PolarHBondContact O-N 3.38Å; D143-I147 WeakPolarHBondContact O-CB 3.46Å; D143-I147 WeakPolarHBondContact O-CD1 3.41Å; D143-I147 WeakPolarHBondContact O-CG1 3.47Å; D143-I147 PolarHBondContact O-N 3.32Å |
| 144 | L | 69.3 | Low | 64.5 | Low | 100 Ų | 100 | 106.3 Ų | 106.3 | 52% | 0.524 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 174.2 | -127.6 | 70.6 | 0 | 0 | 0 | 110.9 | H140 L141 I147 W148 | H140-L144 WeakPolarHBondContact O-CB 3.47Å; H140-L144 PolarHBondContact O-N 3.09Å; L141-L144 PolarHBondContact O-N 3.5Å; L144-I147 PolarHBondContact O-N 2.99Å; L144-W148 WeakPolarHBondContact O-CB 3.32Å; L144-W148 PolarHBondContact O-N 3.43Å |
| 145 | L | 72.2 | Confident | 64.9 | Low | 98 Ų | 98 | 103.7 Ų | 103.7 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 175.2 | -72.8 | 170.6 | 0 | 0 | 0 | 111.3 | L141 G142 W148 V149 | L141-L145 WeakPolarHBondContact O-CB 3.44Å; L141-L145 VanDerWaalsContact O-CG 3.25Å; L141-L145 WeakPolarHBondContact O-CG 3.47Å; L141-L145 PolarHBondContact O-N 2.85Å; G142-L145 PolarHBondContact O-N 2.98Å; L145-W148 PolarHBondContact O-N 3.16Å; L145-V149 WeakPolarHBondContact O-CB 3.47Å; L145-V149 VanDerWaalsContact O-CG2 3.23Å; L145-V149 WeakPolarHBondContact O-CG2 3.39Å; L145-V149 PolarHBondContact O-N 3.15Å |
| 146 | R | 76.6 | Confident | 64.7 | Low | 173 Ų | 173 | 103.4 Ų | 103.4 | 65% | 0.653 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.9 | -41.1 | 176.4 | -169.7 | 174.9 | -174.2 | -177.2 | 2 | 112.3 | G142 D143 W148 R150 | G142-R146 VanDerWaalsContact O-CB 3.28Å; G142-R146 WeakPolarHBondContact O-CB 3.35Å; G142-R146 PolarHBondContact O-N 3.07Å; D143-R146 PolarHBondContact O-N 3.38Å; R146-W148 VanDerWaalsContact C-N 3.34Å; R146-R150 WeakPolarHBondContact O-CB 3.36Å; R146-R150 PolarHBondContact O-N 3.35Å; R146-R150 VanDerWaalsContact O-N 3.07Å |
| 147 | I | 70.1 | Confident | 64.8 | Low | 111 Ų | 111 | 100.8 Ų | 100.8 | 57% | 0.569 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.9 | -38.8 | 172.9 | -66.3 | 162.4 | 0 | 0 | 0 | 109.4 | D143 L144 R150 A151 | D143-I147 WeakPolarHBondContact O-CB 3.46Å; D143-I147 WeakPolarHBondContact O-CD1 3.41Å; D143-I147 WeakPolarHBondContact O-CG1 3.47Å; D143-I147 PolarHBondContact O-N 3.32Å; L144-I147 PolarHBondContact O-N 2.99Å; I147-R150 PolarHBondContact O-N 3.11Å; I147-A151 WeakPolarHBondContact O-CA 3.2Å; I147-A151 WeakPolarHBondContact O-CB 3.45Å; I147-A151 PolarHBondContact O-N 3.13Å |
| 148 | W | 73.1 | Confident | 64.9 | Low | 153 Ų | 153 | 98 Ų | 98 | 58% | 0.58 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.1 | -38.1 | 178.8 | -169.7 | 71.4 | 0 | 0 | 0 | 112.9 | L144 L145 R146 A151 S152 | L144-W148 WeakPolarHBondContact O-CB 3.32Å; L144-W148 PolarHBondContact O-N 3.43Å; L145-W148 PolarHBondContact O-N 3.16Å; R146-W148 VanDerWaalsContact C-N 3.34Å; W148-A151 PolarHBondContact O-N 3.37Å; W148-S152 WeakPolarHBondContact O-CA 3.17Å; W148-S152 WeakPolarHBondContact O-CB 3.41Å; W148-S152 PolarHBondContact O-N 3.25Å; W148-S152 PolarHBondContact O-OG 3Å |
| 149 | V | 69.5 | Low | 64.9 | Low | 94 Ų | 94 | 98 Ų | 98 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.4 | -42.6 | 173.5 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | L145 | L145-V149 WeakPolarHBondContact O-CB 3.47Å; L145-V149 VanDerWaalsContact O-CG2 3.23Å; L145-V149 WeakPolarHBondContact O-CG2 3.39Å; L145-V149 PolarHBondContact O-N 3.15Å |
| 150 | R | 70.9 | Confident | 64.9 | Low | 192 Ų | 192 | 101.9 Ų | 101.9 | 73% | 0.725 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.5 | -31.4 | 174 | -77 | -179.8 | 95 | 176.9 | 7.2 | 113.4 | R146 I147 T153 | R146-R150 WeakPolarHBondContact O-CB 3.36Å; R146-R150 PolarHBondContact O-N 3.35Å; R146-R150 VanDerWaalsContact O-N 3.07Å; I147-R150 PolarHBondContact O-N 3.11Å; R150-T153 PolarHBondContact O-OG1 3.35Å |
| 151 | A | 64.7 | Low | 64.6 | Low | 36 Ų | 36 | 103 Ų | 103 | 30% | 0.298 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -81.4 | -28.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I147 W148 T153 N154 L155 | I147-A151 WeakPolarHBondContact O-CA 3.2Å; I147-A151 WeakPolarHBondContact O-CB 3.45Å; I147-A151 PolarHBondContact O-N 3.13Å; W148-A151 PolarHBondContact O-N 3.37Å; A151-T153 VanDerWaalsContact C-N 3.28Å; A151-T153 PolarHBondContact O-N 3.26Å; A151-N154 CarbonylContact O-C 3.5Å; A151-N154 WeakPolarHBondContact O-CA 3.4Å; A151-N154 WeakPolarHBondContact O-CB 3.34Å; A151-N154 PolarHBondContact O-N 3.45Å; A151-L155 HydrophobicContact CB-CD1 4.36Å; A151-L155 PolarHBondContact O-N 3.49Å |
| 152 | S | 60.9 | Low | 64.1 | Low | 17 Ų | 17 | 106.7 Ų | 106.7 | 12% | 0.119 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -61.7 | -38.6 | 179.6 | -74.9 | 0 | 0 | 0 | 0 | 111 | W148 N154 L155 Y156 | W148-S152 WeakPolarHBondContact O-CA 3.17Å; W148-S152 WeakPolarHBondContact O-CB 3.41Å; W148-S152 PolarHBondContact O-N 3.25Å; W148-S152 PolarHBondContact O-OG 3Å; S152-N154 PolarHBondContact O-N 2.98Å; S152-L155 PolarHBondContact O-N 3.3Å; S152-Y156 WeakPolarHBondContact O-CD2 3.33Å; S152-Y156 WeakPolarHBondContact O-CE2 3.37Å; S152-Y156 PolarHBondContact O-N 3.45Å; S152-Y156 VanDerWaalsContact O-N 3.1Å |
| 153 | T | 58.4 | Low | 63.3 | Low | 108 Ų | 108 | 109.3 Ų | 109.3 | 66% | 0.663 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.3 | -29.9 | 173 | 57.1 | 0 | 0 | 0 | 0 | 112.7 | R150 A151 | R150-T153 PolarHBondContact O-OG1 3.35Å; A151-T153 VanDerWaalsContact C-N 3.28Å; A151-T153 PolarHBondContact O-N 3.26Å |
| 154 | N | 60.8 | Low | 62.6 | Low | 117 Ų | 117 | 110.4 Ų | 110.4 | 63% | 0.626 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -83.1 | -33.9 | 175.5 | -141.6 | -51.8 | 0 | 0 | 0 | 112.3 | A151 S152 Y156 G157 V158 | A151-N154 CarbonylContact O-C 3.5Å; A151-N154 WeakPolarHBondContact O-CA 3.4Å; A151-N154 WeakPolarHBondContact O-CB 3.34Å; A151-N154 PolarHBondContact O-N 3.45Å; S152-N154 PolarHBondContact O-N 2.98Å; N154-Y156 PolarHBondContact O-N 3.16Å; N154-G157 WeakPolarHBondContact O-CA 3.18Å; N154-G157 PolarHBondContact O-N 3.45Å; N154-V158 WeakPolarHBondContact O-CG2 3.39Å; N154-V158 PolarHBondContact O-N 3.29Å |
| 155 | L | 58.1 | Low | 62 | Low | 85 Ų | 85 | 115.6 Ų | 115.6 | 45% | 0.445 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.4 | -32.8 | 176.3 | -83.8 | 148.7 | 0 | 0 | 0 | 112.7 | A151 S152 G157 V158 A159 | A151-L155 HydrophobicContact CB-CD1 4.36Å; A151-L155 PolarHBondContact O-N 3.49Å; S152-L155 PolarHBondContact O-N 3.3Å; L155-G157 PolarHBondContact O-N 3.3Å; L155-V158 PolarHBondContact O-N 2.95Å; L155-A159 VanDerWaalsContact O-CB 3.22Å; L155-A159 WeakPolarHBondContact O-CB 3.4Å; L155-A159 PolarHBondContact O-N 2.9Å |
| 156 | Y | 57.2 | Low | 61 | Low | 174 Ų | 174 | 121.2 Ų | 121.2 | 68% | 0.682 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.3 | -29 | 170.8 | -67.3 | -68.3 | 0 | 0 | 0 | 112.3 | S152 N154 R160 | S152-Y156 WeakPolarHBondContact O-CD2 3.33Å; S152-Y156 WeakPolarHBondContact O-CE2 3.37Å; S152-Y156 PolarHBondContact O-N 3.45Å; S152-Y156 VanDerWaalsContact O-N 3.1Å; N154-Y156 PolarHBondContact O-N 3.16Å; Y156-R160 WeakPolarHBondContact O-CG 3.43Å; Y156-R160 PolarHBondContact O-N 2.68Å |
| 157 | G | 57.8 | Low | 59.9 | Low | 33 Ų | 33 | 120.1 Ų | 120.1 | 34% | 0.34 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -75.3 | -43.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | N154 L155 R160 L161 | N154-G157 WeakPolarHBondContact O-CA 3.18Å; N154-G157 PolarHBondContact O-N 3.45Å; L155-G157 PolarHBondContact O-N 3.3Å; G157-R160 PolarHBondContact O-N 3.48Å; G157-L161 PolarHBondContact O-N 2.78Å |
| 158 | V | 59 | Low | 59 | Low | 78 Ų | 78 | 124.8 Ų | 124.8 | 47% | 0.473 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.5 | -38 | 178 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | N154 L155 R160 L161 F162 | N154-V158 WeakPolarHBondContact O-CG2 3.39Å; N154-V158 PolarHBondContact O-N 3.29Å; L155-V158 PolarHBondContact O-N 2.95Å; V158-R160 VanDerWaalsContact C-N 3.32Å; V158-R160 PolarHBondContact O-N 2.99Å; V158-L161 PolarHBondContact O-N 2.9Å; V158-F162 PolarHBondContact O-N 3.17Å |
| 159 | A | 56.3 | Low | 57.9 | Low | 58 Ų | 58 | 122.1 Ų | 122.1 | 48% | 0.479 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.2 | -40.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L155 F162 T163 | L155-A159 VanDerWaalsContact O-CB 3.22Å; L155-A159 WeakPolarHBondContact O-CB 3.4Å; L155-A159 PolarHBondContact O-N 2.9Å; A159-F162 PolarHBondContact O-N 3.38Å; A159-T163 PolarHBondContact O-N 3.32Å; A159-T163 PolarHBondContact O-OG1 2.82Å |
| 160 | R | 57.4 | Low | 57.1 | Low | 195 Ų | 195 | 126 Ų | 126 | 74% | 0.736 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64 | -41.2 | 173.4 | -83.5 | -174.8 | 171.9 | -144.8 | -0.8 | 112.7 | Y156 G157 V158 F162 T163 D164 | Y156-R160 WeakPolarHBondContact O-CG 3.43Å; Y156-R160 PolarHBondContact O-N 2.68Å; G157-R160 PolarHBondContact O-N 3.48Å; V158-R160 VanDerWaalsContact C-N 3.32Å; V158-R160 PolarHBondContact O-N 2.99Å; R160-F162 VanDerWaalsContact C-N 3.33Å; R160-F162 PolarHBondContact O-N 3.34Å; R160-T163 WeakPolarHBondContact CA-OG1 3.49Å; R160-T163 PolarHBondContact O-N 3.24Å; R160-T163 PolarHBondContact O-OG1 2.92Å; R160-T163 VanDerWaalsContact O-OG1 3.06Å; R160-D164 WeakPolarHBondContact O-CB 3.23Å; R160-D164 PolarHBondContact O-N 3.03Å |
| 161 | L | 57.7 | Low | 56.1 | Low | 125 Ų | 125 | 126.6 Ų | 126.6 | 65% | 0.654 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65 | -34.6 | 175.1 | -95.4 | 135.2 | 0 | 0 | 0 | 112.6 | G157 V158 R165 | G157-L161 PolarHBondContact O-N 2.78Å; V158-L161 PolarHBondContact O-N 2.9Å; L161-R165 WeakPolarHBondContact O-CB 3.39Å; L161-R165 PolarHBondContact O-N 3.48Å |
| 162 | F | 53.5 | Low | 55.5 | Low | 170 Ų | 170 | 134.3 Ų | 134.3 | 75% | 0.746 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -76.3 | -33 | 178.9 | -140.8 | -89.2 | 0 | 0 | 0 | 112.6 | V158 A159 R160 | V158-F162 PolarHBondContact O-N 3.17Å; A159-F162 PolarHBondContact O-N 3.38Å; R160-F162 VanDerWaalsContact C-N 3.33Å; R160-F162 PolarHBondContact O-N 3.34Å |
| 163 | T | 55.5 | Low | 55.1 | Low | 99 Ų | 99 | 136.7 Ų | 136.7 | 61% | 0.607 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -76.3 | -36.5 | 172.5 | 47.1 | 0 | 0 | 0 | 0 | 112.6 | A159 R160 | A159-T163 PolarHBondContact O-N 3.32Å; A159-T163 PolarHBondContact O-OG1 2.82Å; R160-T163 WeakPolarHBondContact CA-OG1 3.49Å; R160-T163 PolarHBondContact O-N 3.24Å; R160-T163 PolarHBondContact O-OG1 2.92Å; R160-T163 VanDerWaalsContact O-OG1 3.06Å |
| 164 | D | 56 | Low | 54.6 | Low | 102 Ų | 102 | 143.3 Ų | 143.3 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -72.8 | -32.9 | -178.3 | -170.3 | 73 | 0 | 0 | 0 | 112.5 | R160 R166 | R160-D164 WeakPolarHBondContact O-CB 3.23Å; R160-D164 PolarHBondContact O-N 3.03Å; D164-R166 PolarHBondContact O-N 2.92Å |
| 165 | R | 55.3 | Low | 54.1 | Low | 210 Ų | 210 | 150 Ų | 150 | 79% | 0.792 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -77.8 | -17.8 | -176.4 | -151.6 | 178.1 | -168.5 | -164.1 | 3.4 | 114.4 | L161 | L161-R165 WeakPolarHBondContact O-CB 3.39Å; L161-R165 PolarHBondContact O-N 3.48Å |
| 166 | R | 52.9 | Low | 53.6 | Low | 215 Ų | 215 | 149 Ų | 149 | 81% | 0.811 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -81.4 | -22.1 | -179.1 | -161.1 | 173.7 | -176.2 | -169.3 | 0.4 | 113.1 | D164 | D164-R166 PolarHBondContact O-N 2.92Å |
| 167 | E | 52.7 | Low | 53.3 | Low | 150 Ų | 150 | 147.3 Ų | 147.3 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -96.8 | -8.5 | -174 | -125.6 | 177 | 173.1 | 0 | 0 | 114.6 | | |
| 168 | R | 50.8 | Low | 53.1 | Low | 210 Ų | 210 | 153.4 Ų | 153.4 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -99.9 | -5.9 | -176.5 | -92.1 | -177 | -177.8 | -164.5 | 1.9 | 116.6 | | |
| 169 | S | 50.4 | Low | 52.7 | Low | 97 Ų | 97 | 161.1 Ų | 161.1 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -103.4 | -2.7 | -175 | 84 | 0 | 0 | 0 | 0 | 116.3 | | |
| 170 | E | 53.7 | Low | 52.5 | Low | 174 Ų | 174 | 170.4 Ų | 170.4 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -114.1 | 23.5 | -175.2 | -66.3 | -172.7 | 167.2 | 0 | 0 | 114.2 | | |
| 171 | R | 49.3 | Very low | 52.2 | Low | 205 Ų | 205 | 168.1 Ų | 168.1 | 77% | 0.774 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -120.8 | 22.5 | 176.4 | -63 | -169.9 | -173.8 | -178.4 | 5.1 | 114.4 | | |
| 172 | H | 52.7 | Low | 52 | Low | 199 Ų | 199 | 172.6 Ų | 172.6 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -133.3 | 72.3 | 174.7 | -101.8 | 55.7 | 0 | 0 | 0 | 110.4 | | |
| 173 | G | 50.6 | Low | 51.9 | Low | 67 Ų | 67 | 174.6 Ų | 174.6 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 173.3 | 124.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 174 | R | 49.9 | Very low | 51.5 | Low | 247 Ų | 247 | 179.4 Ų | 179.4 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | | | trans | 82.6 | 67.8 | 171.6 | -49.8 | -178.7 | 175.1 | -162.7 | -1.2 | 117.7 | | |
| 175 | R | 49.6 | Very low | 51.4 | Low | 258 Ų | 258 | 182.1 Ų | 182.1 | 97% | 0.974 | 81% | 0.809 | S | S | * | * | | | trans | -149.1 | 50.6 | 142.8 | -70.6 | -161.3 | -178.3 | -177.8 | -0.1 | 111.4 | | |
| 176 | G | 46.9 | Very low | 51.4 | Low | 63 Ų | 63 | 183.4 Ų | 183.4 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | | | trans | -95 | 145.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 177 | V | 50.6 | Low | 51.4 | Low | 139 Ų | 139 | 179.8 Ų | 179.8 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | S | Bend | trans | 94.8 | 118.6 | 176.6 | -168.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 178 | L | 53.8 | Low | 51.8 | Low | 160 Ų | 160 | 178.1 Ų | 178.1 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | trans | 87 | 87.8 | 172.7 | -59.1 | 154.9 | 0 | 0 | 0 | 117.7 | | |
| 179 | R | 51.5 | Low | 51.9 | Low | 241 Ų | 241 | 178.6 Ų | 178.6 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | | -175 | 78.7 | 117.9 | -96.9 | 175.8 | -163.9 | -107.7 | 3.8 | 110.3 | H181 | R179-H181 PolarHBondContact O-N 3.31Š|
| 180 | R | 51.1 | Low | 52.1 | Low | 253 Ų | 253 | 182.7 Ų | 182.7 | 96% | 0.955 | 82% | 0.824 | S | S | * | * | | | trans | -72 | 98.4 | 150.7 | -79.1 | -175.5 | 176.7 | -176.3 | -0.4 | 106.5 | | |
| 181 | H | 52.4 | Low | 52.2 | Low | 147 Ų | 147 | 182.5 Ų | 182.5 | 68% | 0.681 | 82% | 0.823 | S | S | * | * | | | trans | -156.5 | 118.9 | 165 | -135.5 | -98.8 | 0 | 0 | 0 | 112.4 | R179 | R179-H181 PolarHBondContact O-N 3.31Š|
| 182 | R | 52.8 | Low | 52.5 | Low | 218 Ų | 218 | 182.7 Ų | 182.7 | 82% | 0.823 | 82% | 0.824 | S | S | * | * | | | trans | 67.6 | 77.7 | 159.8 | -72.1 | 177 | 178.6 | 174.2 | -1.9 | 117.9 | | |
| 183 | R | 51.3 | Low | 52.5 | Low | 213 Ų | 213 | 180.9 Ų | 180.9 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | | -74.3 | 158.1 | 128.7 | -71.9 | -175.3 | -177.4 | -176 | 0.7 | 108.1 | | |
| 184 | Y | 47 | Very low | 52.5 | Low | 200 Ų | 200 | 190 Ų | 190 | 78% | 0.784 | 83% | 0.834 | S | S | * | * | | | trans | 94.1 | 119.7 | 172.7 | -49.2 | -69.2 | 0 | 0 | 0 | 116.2 | | |
| 185 | L | 54.5 | Low | 52.6 | Low | 158 Ų | 158 | 183 Ų | 183 | 83% | 0.827 | 83% | 0.828 | S | S | * | * | | | trans | 83.3 | 94.9 | 154.2 | -58.8 | 150.7 | 0 | 0 | 0 | 116.6 | | |
| 186 | R | 55.4 | Low | 52.9 | Low | 238 Ų | 238 | 182.6 Ų | 182.6 | 90% | 0.898 | 84% | 0.844 | S | S | * | * | | | | -167.3 | 92.9 | 120.5 | -101.5 | 165.4 | -174.9 | -163.4 | 0.4 | 110.7 | | |
| 187 | T | 53.1 | Low | 53.2 | Low | 138 Ų | 138 | 188.6 Ų | 188.6 | 85% | 0.847 | 85% | 0.854 | S | S | * | * | | | trans | -66.4 | 115.2 | 152.9 | 45.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 188 | T | 60.2 | Low | 53.3 | Low | 116 Ų | 116 | 191.2 Ų | 191.2 | 71% | 0.712 | 85% | 0.854 | S | S | * | * | | | trans | -144 | 112.4 | 160.7 | 1.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 189 | R | 52.9 | Low | 53.3 | Low | 220 Ų | 220 | 192.9 Ų | 192.9 | 83% | 0.83 | 86% | 0.855 | S | S | * | * | | | trans | -40.9 | 123.5 | 172.7 | -62.6 | 168.9 | 178.9 | -175.5 | -1.6 | 112.6 | | |
| 190 | F | 55.8 | Low | 53.4 | Low | 183 Ų | 183 | 190.1 Ų | 190.1 | 80% | 0.803 | 85% | 0.852 | S | S | * | * | | | trans | -117.2 | 88.1 | 148.7 | -79.8 | -76.7 | 0 | 0 | 0 | 108.4 | R192 | F190-R192 PolarHBondContact O-N 2.74Š|
| 191 | Q | 55.5 | Low | 53.6 | Low | 169 Ų | 169 | 186.1 Ų | 186.1 | 79% | 0.79 | 85% | 0.846 | S | S | * | * | | | trans | -60.7 | 108 | 151.2 | -75.6 | 168.7 | -11.4 | 0 | 0 | 107.4 | | |
| 192 | R | 55.6 | Low | 53.6 | Low | 209 Ų | 209 | 188.7 Ų | 188.7 | 79% | 0.789 | 86% | 0.857 | S | S | * | * | | | trans | -144.7 | 99.7 | 157.3 | -79.5 | -164.2 | 177 | 170.4 | -1.8 | 109.7 | F190 | F190-R192 PolarHBondContact O-N 2.74Š|
| 193 | L | 52.9 | Low | 53.7 | Low | 162 Ų | 162 | 186.6 Ų | 186.6 | 85% | 0.848 | 86% | 0.859 | S | S | * | * | | | | 52.9 | 86 | 127.8 | -64.5 | 159.3 | 0 | 0 | 0 | 116.3 | | |
| 194 | R | 50 | Low | 53.9 | Low | 259 Ų | 259 | 184.6 Ų | 184.6 | 98% | 0.977 | 86% | 0.864 | S | S | * | * | | | trans | -137.1 | 87.7 | 140.8 | -92.1 | -171.9 | -173 | -178.3 | 1.4 | 108.3 | | |
| 195 | A | 51.3 | Low | 54.4 | Low | 99 Ų | 99 | 183.3 Ų | 183.3 | 82% | 0.818 | 87% | 0.87 | S | S | * | * | | | trans | -112.7 | 106.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 196 | L | 56 | Low | 54.4 | Low | 249 Ų | 249 | 185.6 Ų | 185.6 | 100% | 1.304 | 87% | 0.874 | S | S | * | * | | | trans | -144.1 | 0 | 156.8 | -92.8 | 174.2 | 0 | 0 | 0 | 105.6 | | |