| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.9 | Low | 59.5 | Low | 212 Ų | 212 | 116.7 Ų | 116.7 | 100% | 1.044 | 58% | 0.584 | S | S | * | * | 0 | -43.4 | 0 | -65.7 | -151 | 178.1 | 0 | 0 | 113.1 | F3 A4 T5 | M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 2.79Å; M1-A4 PolarHBondContact O-N 3.11Å; M1-A4 VanDerWaalsContact O-N 3.12Å; M1-T5 PolarHBondContact O-N 2.77Å; M1-T5 PolarHBondContact O-OG1 3.2Å | |||
| 2 | L | 54.4 | Low | 59 | Low | 100 Ų | 100 | 114.8 Ų | 114.8 | 52% | 0.524 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -55.5 | -37.1 | 176.9 | -97.1 | 127.6 | 0 | 0 | 0 | 115.6 | A4 T5 L6 V112 | L2-A4 VanDerWaalsContact C-N 3.33Å; L2-A4 PolarHBondContact O-N 3.34Å; L2-T5 WeakPolarHBondContact CA-OG1 3.08Å; L2-T5 PolarHBondContact O-OG1 3.04Å; L2-L6 WeakPolarHBondContact O-CG 3.18Å; L2-L6 PolarHBondContact O-N 3.47Å; L2-V112 HydrophobicContact CD2-CG1 3.73Å |
| 3 | F | 57.9 | Low | 58.4 | Low | 166 Ų | 166 | 118.4 Ų | 118.4 | 73% | 0.728 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.9 | -34.6 | 177.7 | -114.8 | -91.6 | 0 | 0 | 0 | 112.7 | M1 L7 | M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 2.79Å; F3-L7 WeakPolarHBondContact O-CB 3.39Å; F3-L7 VanDerWaalsContact O-CG 3.29Å; F3-L7 WeakPolarHBondContact O-CG 3.11Å; F3-L7 PolarHBondContact O-N 3.22Å |
| 4 | A | 62.2 | Low | 57.6 | Low | 60 Ų | 60 | 121.1 Ų | 121.1 | 50% | 0.496 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.1 | -39 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1 L2 F8 | M1-A4 PolarHBondContact O-N 3.11Å; M1-A4 VanDerWaalsContact O-N 3.12Å; L2-A4 VanDerWaalsContact C-N 3.33Å; L2-A4 PolarHBondContact O-N 3.34Å; A4-F8 WeakPolarHBondContact O-CB 3.25Å; A4-F8 PolarHBondContact O-N 3.47Å |
| 5 | T | 62 | Low | 57.1 | Low | 75 Ų | 75 | 120.2 Ų | 120.2 | 46% | 0.46 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.7 | -44 | 173.3 | 29.4 | 0 | 0 | 0 | 0 | 111.4 | M1 L2 L7 F8 F9 | M1-T5 PolarHBondContact O-N 2.77Å; M1-T5 PolarHBondContact O-OG1 3.2Å; L2-T5 WeakPolarHBondContact CA-OG1 3.08Å; L2-T5 PolarHBondContact O-OG1 3.04Å; T5-L7 PolarHBondContact O-N 2.94Å; T5-F8 PolarHBondContact O-N 3.15Å; T5-F9 WeakPolarHBondContact O-CD2 3.17Å; T5-F9 PolarHBondContact O-N 3.24Å |
| 6 | L | 60.8 | Low | 56.6 | Low | 50 Ų | 50 | 119 Ų | 119 | 26% | 0.262 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60.3 | -45.5 | 175.2 | -76.4 | 167.9 | 0 | 0 | 0 | 112.2 | L2 F8 F9 F10 V109 | L2-L6 WeakPolarHBondContact O-CG 3.18Å; L2-L6 PolarHBondContact O-N 3.47Å; L6-F8 VanDerWaalsContact C-N 3.33Å; L6-F8 PolarHBondContact O-N 2.99Å; L6-F9 PolarHBondContact O-N 3.2Å; L6-F10 WeakPolarHBondContact O-CD2 3.36Å; L6-F10 PolarHBondContact O-N 3.42Å; L6-V109 HydrophobicContact CD2-CG1 4.08Å |
| 7 | L | 65.7 | Low | 55.4 | Low | 98 Ų | 98 | 116.4 Ų | 116.4 | 51% | 0.513 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.6 | -33.8 | 177 | -73.2 | 174.1 | 0 | 0 | 0 | 112.9 | F3 T5 N11 | F3-L7 WeakPolarHBondContact O-CB 3.39Å; F3-L7 VanDerWaalsContact O-CG 3.29Å; F3-L7 WeakPolarHBondContact O-CG 3.11Å; F3-L7 PolarHBondContact O-N 3.22Å; T5-L7 PolarHBondContact O-N 2.94Å; L7-N11 WeakPolarHBondContact O-CB 3.28Å; L7-N11 PolarHBondContact O-N 2.82Å; L7-N11 PolarHBondContact O-ND2 3.46Å |
| 8 | F | 66.2 | Low | 54.7 | Low | 156 Ų | 156 | 120.4 Ų | 120.4 | 68% | 0.684 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.3 | -45.4 | 171.8 | -117 | -90.5 | 0 | 0 | 0 | 111.1 | A4 T5 L6 N11 V12 | A4-F8 WeakPolarHBondContact O-CB 3.25Å; A4-F8 PolarHBondContact O-N 3.47Å; T5-F8 PolarHBondContact O-N 3.15Å; L6-F8 VanDerWaalsContact C-N 3.33Å; L6-F8 PolarHBondContact O-N 2.99Å; F8-N11 PolarHBondContact O-N 2.79Å; F8-V12 WeakPolarHBondContact O-CB 3.02Å; F8-V12 WeakPolarHBondContact O-CG2 3.4Å; F8-V12 PolarHBondContact O-N 2.72Å |
| 9 | F | 58.5 | Low | 53.8 | Low | 123 Ų | 123 | 124.3 Ų | 124.3 | 54% | 0.539 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66.7 | -38.4 | 177.4 | -77.3 | -68.3 | 0 | 0 | 0 | 112.7 | T5 L6 V12 R13 | T5-F9 WeakPolarHBondContact O-CD2 3.17Å; T5-F9 PolarHBondContact O-N 3.24Å; L6-F9 PolarHBondContact O-N 3.2Å; F9-V12 PolarHBondContact O-N 3.14Å; F9-R13 WeakPolarHBondContact O-CB 3.31Å; F9-R13 PolarHBondContact O-N 3.43Å |
| 10 | F | 59.2 | Low | 53.2 | Low | 140 Ų | 140 | 125.5 Ų | 125.5 | 61% | 0.614 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.1 | -40.8 | 173.3 | -92 | -81.5 | 0 | 0 | 0 | 112 | L6 R13 Q14 | L6-F10 WeakPolarHBondContact O-CD2 3.36Å; L6-F10 PolarHBondContact O-N 3.42Å; F10-R13 PolarHBondContact O-N 3.28Å; F10-Q14 PolarHBondContact O-N 2.76Å |
| 11 | N | 55.7 | Low | 52.3 | Low | 104 Ų | 104 | 125.3 Ų | 125.3 | 56% | 0.556 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.6 | -44.6 | 174.6 | -94.9 | -78.4 | 0 | 0 | 0 | 112.3 | L7 F8 R13 Q14 S15 | L7-N11 WeakPolarHBondContact O-CB 3.28Å; L7-N11 PolarHBondContact O-N 2.82Å; L7-N11 PolarHBondContact O-ND2 3.46Å; F8-N11 PolarHBondContact O-N 2.79Å; N11-R13 VanDerWaalsContact C-N 3.28Å; N11-R13 PolarHBondContact O-N 2.67Å; N11-Q14 PolarHBondContact O-N 2.73Å; N11-S15 PolarHBondContact O-N 3.39Å |
| 12 | V | 53.2 | Low | 51.4 | Low | 93 Ų | 93 | 122.8 Ų | 122.8 | 56% | 0.564 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62 | -38.7 | 178 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | F8 F9 S15 | F8-V12 WeakPolarHBondContact O-CB 3.02Å; F8-V12 WeakPolarHBondContact O-CG2 3.4Å; F8-V12 PolarHBondContact O-N 2.72Å; F9-V12 PolarHBondContact O-N 3.14Å; V12-S15 PolarHBondContact O-N 2.9Å |
| 13 | R | 52.1 | Low | 50.3 | Low | 162 Ų | 162 | 121.4 Ų | 121.4 | 61% | 0.611 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.7 | -31.8 | 176.6 | -161.7 | 167.4 | -171.6 | 176.7 | 2.4 | 112.9 | F9 F10 N11 S15 S16 | F9-R13 WeakPolarHBondContact O-CB 3.31Å; F9-R13 PolarHBondContact O-N 3.43Å; F10-R13 PolarHBondContact O-N 3.28Å; N11-R13 VanDerWaalsContact C-N 3.28Å; N11-R13 PolarHBondContact O-N 2.67Å; R13-S15 VanDerWaalsContact C-N 3.26Å; R13-S15 PolarHBondContact O-N 3.07Å; R13-S16 PolarHBondContact O-N 2.85Å |
| 14 | Q | 47.2 | Very low | 49.2 | Very low | 157 Ų | 157 | 121.6 Ų | 121.6 | 73% | 0.734 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.8 | -28.6 | 176.2 | -150.3 | -167.4 | 44 | 0 | 0 | 112.3 | F10 N11 S16 G17 | F10-Q14 PolarHBondContact O-N 2.76Å; N11-Q14 PolarHBondContact O-N 2.73Å; Q14-S16 VanDerWaalsContact C-N 3.31Å; Q14-S16 PolarHBondContact O-N 3.15Å; Q14-G17 PolarHBondContact O-N 2.05Å |
| 15 | S | 49.2 | Very low | 47.6 | Very low | 107 Ų | 107 | 126 Ų | 126 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.5 | -21.2 | 175.1 | -167.5 | 0 | 0 | 0 | 0 | 113.7 | N11 V12 R13 G17 | N11-S15 PolarHBondContact O-N 3.39Å; V12-S15 PolarHBondContact O-N 2.9Å; R13-S15 VanDerWaalsContact C-N 3.26Å; R13-S15 PolarHBondContact O-N 3.07Å; S15-G17 PolarHBondContact O-N 3.29Å |
| 16 | S | 49 | Very low | 46.2 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -89.7 | 64.6 | 165.2 | -90.2 | 0 | 0 | 0 | 0 | 109.6 | R13 Q14 K18 | R13-S16 PolarHBondContact O-N 2.85Å; Q14-S16 VanDerWaalsContact C-N 3.31Å; Q14-S16 PolarHBondContact O-N 3.15Å; S16-K18 PolarHBondContact O-N 3.31Å |
| 17 | G | 36.3 | Very low | 45 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 69% | 0.691 | S | S | * | * | trans | -66.9 | 74 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q14 S15 | Q14-G17 PolarHBondContact O-N 2.05Å; S15-G17 PolarHBondContact O-N 3.29Å | ||
| 18 | K | 43.4 | Very low | 43.6 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | trans | -105.6 | 108.7 | 161.6 | -128.1 | 171.7 | -176 | 170.5 | 0 | 107 | S16 I20 | S16-K18 PolarHBondContact O-N 3.31Å; K18-I20 PolarHBondContact O-N 3.29Å | ||
| 19 | K | 38 | Very low | 42.5 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 84% | 0.839 | 69% | 0.687 | S | S | * | * | trans | -50.9 | 105.7 | 163.1 | -76.2 | -179.7 | 177.4 | -175.3 | 0 | 107 | D21 | K19-D21 PolarHBondContact O-N 3.23Š| ||
| 20 | I | 41.9 | Very low | 42 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | trans | -78.8 | 80.8 | 161.9 | -57.5 | 173.5 | 0 | 0 | 0 | 103.8 | K18 L22 | K18-I20 PolarHBondContact O-N 3.29Å; I20-L22 PolarHBondContact O-N 3.05Å; I20-L22 VanDerWaalsContact O-N 3.11Å | ||
| 21 | D | 33.8 | Very low | 41.7 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 65% | 0.647 | 67% | 0.668 | S | S | * | * | trans | -61.2 | 112.3 | 164.7 | -123.2 | -56.8 | 0 | 0 | 0 | 105.8 | K19 S23 | K19-D21 PolarHBondContact O-N 3.23Å; D21-S23 PolarHBondContact O-N 3.04Å | ||
| 22 | L | 32.9 | Very low | 41.5 | Very low | 159 Ų | 159 | 123 Ų | 123 | 83% | 0.832 | 65% | 0.654 | S | S | * | * | trans | -72.8 | 58.6 | 177.8 | -161.1 | 77.6 | 0 | 0 | 0 | 108.8 | I20 | I20-L22 PolarHBondContact O-N 3.05Å; I20-L22 VanDerWaalsContact O-N 3.11Å | ||
| 23 | S | 31.8 | Very low | 41.6 | Very low | 72 Ų | 72 | 124.5 Ų | 124.5 | 50% | 0.503 | 66% | 0.658 | S | S | . | * | trans | -105.2 | 47.3 | 168.1 | -60.6 | 0 | 0 | 0 | 0 | 108.3 | D21 L25 | D21-S23 PolarHBondContact O-N 3.04Å; S23-L25 PolarHBondContact O-N 3.44Å | ||
| 24 | L | 34 | Very low | 42.1 | Very low | 169 Ų | 169 | 119.3 Ų | 119.3 | 89% | 0.885 | 66% | 0.655 | S | S | * | * | trans | -71.5 | 34 | 170.7 | -154 | 119.3 | 0 | 0 | 0 | 111.4 | ||||
| 25 | L | 29.2 | Very low | 42.8 | Very low | 152 Ų | 152 | 116 Ų | 116 | 80% | 0.796 | 64% | 0.642 | S | S | * | * | trans | -148.3 | 47 | -170 | -126.4 | 152.9 | 0 | 0 | 0 | 107.7 | S23 | S23-L25 PolarHBondContact O-N 3.44Š| ||
| 26 | Q | 31.4 | Very low | 43.6 | Very low | 148 Ų | 148 | 120 Ų | 120 | 69% | 0.692 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -135.4 | 101.5 | 167.9 | -75.6 | -63.9 | -63.8 | 0 | 0 | 109.1 | ||
| 27 | L | 36.5 | Very low | 44.6 | Very low | 131 Ų | 131 | 115.2 Ų | 115.2 | 69% | 0.686 | 61% | 0.607 | S | S | * | * | trans | 56.3 | 87.9 | 154.3 | -73.4 | 85.8 | 0 | 0 | 0 | 116.6 | S29 | L27-S29 PolarHBondContact O-N 3.08Š| ||
| 28 | Y | 36.5 | Very low | 46.1 | Very low | 191 Ų | 191 | 112.9 Ų | 112.9 | 75% | 0.749 | 58% | 0.583 | S | S | * | * | trans | -52.2 | 92.5 | 135 | -130 | -91.5 | 0 | 0 | 0 | 106.9 | P30 I33 | Y28-P30 WeakPolarHBondContact O-CD 3.2Å; Y28-I33 HydrophobicContact CE1-CG1 4.25Å | ||
| 29 | S | 43.6 | Very low | 47.2 | Very low | 53 Ų | 53 | 106 Ų | 106 | 37% | 0.371 | 57% | 0.566 | S | S | . | * | trans | -59.4 | 118.2 | 163.3 | -69 | 0 | 0 | 0 | 0 | 105.8 | L27 L31 | L27-S29 PolarHBondContact O-N 3.08Å; S29-L31 PolarHBondContact O-N 3.19Å | ||
| 30 | P | 48.1 | Very low | 48.6 | Very low | 96 Ų | 96 | 98.9 Ų | 98.9 | 62% | 0.623 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 4.3 | -168 | 26.7 | -34 | 0 | 0 | 0 | 114.2 | Y28 C32 Q40 | Y28-P30 WeakPolarHBondContact O-CD 3.2Å; P30-C32 PolarHBondContact O-N 2.88Å; P30-Q40 VanDerWaalsContact C-OE1 3.23Å; P30-Q40 PolarHBondContact O-OE1 3.13Å |
| 31 | L | 52.9 | Low | 49.8 | Very low | 26 Ų | 26 | 95.7 Ų | 95.7 | 14% | 0.136 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -22.3 | -173.8 | -94.8 | 97.1 | 0 | 0 | 0 | 115.4 | S29 P78 | S29-L31 PolarHBondContact O-N 3.19Å; L31-P78 HydrophobicContact CD2-CG 4.31Å |
| 32 | C | 51.6 | Low | 51.4 | Low | 38 Ų | 38 | 91.2 Ų | 91.2 | 26% | 0.257 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 104.9 | -161.4 | -50.4 | 0 | 0 | 0 | 0 | 111 | P30 C75 | P30-C32 PolarHBondContact O-N 2.88Å; C32-C75 HydrophobicContact CB-CB 4.05Å; C32-C75 WeakPolarHBondContact SG-CB 3.33Å |
| 33 | I | 54.8 | Low | 53.1 | Low | 126 Ų | 126 | 88.4 Ų | 88.4 | 65% | 0.646 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 99.5 | 168.4 | -69.5 | 168.2 | 0 | 0 | 0 | 107.1 | Y28 R36 | Y28-I33 HydrophobicContact CE1-CG1 4.25Å; I33-R36 PolarHBondContact N-O 3.41Å; I33-R36 PolarHBondContact O-N 3.46Å |
| 34 | G | 61.6 | Low | 54.8 | Low | 53 Ų | 53 | 89.7 Ų | 89.7 | 55% | 0.546 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | -132.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R36 | G34-R36 VanDerWaalsContact C-N 3.3Š|
| 35 | D | 62.7 | Low | 56.4 | Low | 88 Ų | 88 | 86.6 Ų | 86.6 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 0.9 | -178 | -53.7 | -32.4 | 0 | 0 | 0 | 113.2 | T62 C63 | D35-T62 WeakPolarHBondContact O-CA 3.49Å; D35-C63 PolarHBondContact O-N 3.11Å; D35-C63 VanDerWaalsContact O-N 3.09Å |
| 36 | R | 66 | Low | 58.1 | Low | 189 Ų | 189 | 82.5 Ų | 82.5 | 71% | 0.713 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.4 | 177.4 | -67.7 | -175.5 | -178.5 | -131.3 | 1.3 | 109.8 | I33 G34 | I33-R36 PolarHBondContact N-O 3.41Å; I33-R36 PolarHBondContact O-N 3.46Å; G34-R36 VanDerWaalsContact C-N 3.3Å |
| 37 | C | 69.1 | Low | 59.7 | Low | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.007 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.9 | 179.3 | -41.3 | 0 | 0 | 0 | 0 | 109.2 | P60 Y61 C75 | C37-P60 CarbonylContact O-C 3.51Å; C37-P60 VanDerWaalsContact O-CA 3.31Å; C37-P60 WeakPolarHBondContact O-CA 3.38Å; C37-Y61 HydrophobicContact CB-CD1 3.92Å; C37-Y61 HydrophobicContact CB-CD2 3.85Å; C37-Y61 HydrophobicContact CB-CE1 3.5Å; C37-Y61 HydrophobicContact CB-CE2 3.43Å; C37-Y61 VanDerWaalsContact CB-CE2 3.43Å; C37-Y61 HydrophobicContact CB-CG 4.09Å; C37-Y61 PolarHBondContact N-O 3.36Å; C37-Y61 PolarHBondContact O-N 2.98Å; C37-Y61 VanDerWaalsContact O-O 3.08Å; C37-Y61 VanDerWaalsContact SG-CE2 3.54Å; C37-C75 WeakPolarHBondContact CA-SG 3.2Å; C37-C75 HydrophobicContact CB-CB 3.72Å; C37-C75 WeakPolarHBondContact CB-SG 3.42Å; C37-C75 WeakPolarHBondContact SG-CA 3.29Å; C37-C75 WeakPolarHBondContact SG-CB 3.4Å; C37-C75 CovalentContact SG-SG 1.99Å; C37-C75 PolarHBondContact SG-SG 3.45Å |
| 38 | G | 67.7 | Low | 61 | Low | 25 Ų | 25 | 80.2 Ų | 80.2 | 26% | 0.258 | 47% | 0.471 | S | S | . | . | trans | 84.3 | -169.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 39 | G | 68.1 | Low | 62.1 | Low | 46 Ų | 46 | 77.3 Ų | 77.3 | 47% | 0.474 | 48% | 0.479 | S | S | . | . | trans | 91.1 | 16.9 | -167 | 0 | 0 | 0 | 0 | 0 | 113.9 | I58 | G39-I58 PolarHBondContact N-O 3.27Š| ||
| 40 | Q | 67.2 | Low | 63.1 | Low | 44 Ų | 44 | 79.3 Ų | 79.3 | 21% | 0.206 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 154.4 | 179.9 | 59.7 | 172.7 | 57.5 | 0 | 0 | 112.2 | P30 I58 | P30-Q40 VanDerWaalsContact C-OE1 3.23Å; P30-Q40 PolarHBondContact O-OE1 3.13Å; Q40-I58 PolarHBondContact O-N 3.32Å |
| 41 | T | 67.1 | Low | 63.9 | Low | 81 Ų | 81 | 78.9 Ų | 78.9 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 114 | 174.7 | -51.9 | 0 | 0 | 0 | 0 | 108.1 | ||
| 42 | V | 67.4 | Low | 64.5 | Low | 27 Ų | 27 | 88.3 Ų | 88.3 | 16% | 0.164 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 120.2 | 171 | -85.5 | 0 | 0 | 0 | 0 | 108.6 | S55 I56 I58 | V42-S55 WeakPolarHBondContact O-CA 3.43Å; V42-I56 HydrophobicContact CG2-CB 4.24Å; V42-I56 VanDerWaalsContact CG2-O 3.31Å; V42-I56 WeakPolarHBondContact CG2-O 3.35Å; V42-I56 PolarHBondContact N-O 3.29Å; V42-I56 PolarHBondContact O-N 3.49Å; V42-I58 HydrophobicContact CG1-CD1 4.2Å; V42-I58 HydrophobicContact CG2-CD1 3.5Å; V42-I58 HydrophobicContact CG2-CG1 4.05Å |
| 43 | T | 68.7 | Low | 65.3 | Low | 101 Ų | 101 | 90.4 Ų | 90.4 | 62% | 0.62 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 104.7 | 172.9 | 39.2 | 0 | 0 | 0 | 0 | 109.1 | S45 | T43-S45 PolarHBondContact O-N 3.15Å |
| 44 | L | 67 | Low | 66.1 | Low | 98 Ų | 98 | 89.5 Ų | 89.5 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 102.9 | 172.5 | -63.1 | 169.4 | 0 | 0 | 0 | 108 | P53 L54 I56 | L44-P53 WeakPolarHBondContact O-CA 3.4Å; L44-L54 HydrophobicContact CB-CB 4.46Å; L44-L54 PolarHBondContact N-O 2.98Å; L44-L54 PolarHBondContact O-N 2.97Å; L44-L54 VanDerWaalsContact O-N 3.07Å; L44-I56 HydrophobicContact CD1-CD1 3.53Å; L44-I56 HydrophobicContact CD1-CG1 4.32Å |
| 45 | S | 68 | Low | 66.6 | Low | 105 Ų | 105 | 90.6 Ų | 90.6 | 73% | 0.734 | 53% | 0.531 | S | S | * | . | trans | -92.3 | 117.6 | 170.6 | -166.4 | 0 | 0 | 0 | 0 | 109.1 | T43 | T43-S45 PolarHBondContact O-N 3.15Š| ||
| 46 | S | 64.8 | Low | 67 | Low | 66 Ų | 66 | 89.9 Ų | 89.9 | 46% | 0.462 | 53% | 0.526 | S | S | . | . | trans | -79.9 | 143.8 | 174 | -177.2 | 0 | 0 | 0 | 0 | 110.3 | N48 | S46-N48 PolarHBondContact O-N 3.06Å; S46-N48 VanDerWaalsContact O-N 3.09Å; S46-N48 PolarHBondContact OG-N 2.91Å | ||
| 47 | S | 65.2 | Low | 67.4 | Low | 132 Ų | 132 | 86.9 Ų | 86.9 | 92% | 0.923 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -63.1 | -8.8 | 174.2 | 176.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 48 | N | 62.3 | Low | 67.5 | Low | 98 Ų | 98 | 87.5 Ų | 87.5 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -97.6 | 115.2 | 179.8 | -154.6 | -21.2 | 0 | 0 | 0 | 110.1 | S46 S50 V51 | S46-N48 PolarHBondContact O-N 3.06Å; S46-N48 VanDerWaalsContact O-N 3.09Å; S46-N48 PolarHBondContact OG-N 2.91Å; N48-S50 PolarHBondContact O-N 2.95Å; N48-V51 PolarHBondContact O-N 3.49Å; N48-V51 VanDerWaalsContact O-N 3.15Å |
| 49 | S | 61.1 | Low | 67.7 | Low | 130 Ų | 130 | 93.6 Ų | 93.6 | 91% | 0.909 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -6.1 | -173.5 | 60.1 | 0 | 0 | 0 | 0 | 116.1 | ||
| 50 | S | 64.2 | Low | 68 | Low | 96 Ų | 96 | 95.8 Ų | 95.8 | 67% | 0.671 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -5.9 | 179.4 | 61.1 | 0 | 0 | 0 | 0 | 114.9 | N48 | N48-S50 PolarHBondContact O-N 2.95Š|
| 51 | V | 64.7 | Low | 68.3 | Low | 87 Ų | 87 | 96.3 Ų | 96.3 | 53% | 0.527 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -107.7 | 121.8 | -175.2 | -168.1 | 0 | 0 | 0 | 0 | 110.3 | N48 | N48-V51 PolarHBondContact O-N 3.49Å; N48-V51 VanDerWaalsContact O-N 3.15Å |
| 52 | R | 64.5 | Low | 68.6 | Low | 223 Ų | 223 | 96.5 Ų | 96.5 | 84% | 0.842 | 55% | 0.551 | S | S | * | * | trans | -60.6 | 139.8 | 174.3 | -67.2 | -174.4 | 180 | -160.1 | -0.3 | 109.7 | L54 | R52-L54 PolarHBondContact O-N 2.94Š| ||
| 53 | P | 68.7 | Low | 68.8 | Low | 83 Ų | 83 | 95.4 Ų | 95.4 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | trans | -59.2 | 126.1 | 177 | 24.6 | -32.7 | 0 | 0 | 0 | 109.5 | L44 S55 | L44-P53 WeakPolarHBondContact O-CA 3.4Å; P53-S55 PolarHBondContact O-N 3.12Å | ||
| 54 | L | 72.9 | Confident | 68.9 | Low | 107 Ų | 107 | 93.9 Ų | 93.9 | 56% | 0.56 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 110.5 | 177 | -174.4 | 67.6 | 0 | 0 | 0 | 108.2 | L44 R52 I56 | L44-L54 HydrophobicContact CB-CB 4.46Å; L44-L54 PolarHBondContact N-O 2.98Å; L44-L54 PolarHBondContact O-N 2.97Å; L44-L54 VanDerWaalsContact O-N 3.07Å; R52-L54 PolarHBondContact O-N 2.94Å; L54-I56 HydrophobicContact CD2-CD1 3.96Å; L54-I56 HydrophobicContact CD2-CG1 4.04Å; L54-I56 HydrophobicContact CG-CD1 4.43Å; L54-I56 HydrophobicContact CG-CG1 3.99Å |
| 55 | S | 70.7 | Confident | 69.1 | Low | 76 Ų | 76 | 90.8 Ų | 90.8 | 53% | 0.531 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 112.3 | 172.1 | 56.7 | 0 | 0 | 0 | 0 | 109.6 | V42 P53 | V42-S55 WeakPolarHBondContact O-CA 3.43Å; P53-S55 PolarHBondContact O-N 3.12Å |
| 56 | I | 72.5 | Confident | 69.3 | Low | 72 Ų | 72 | 92.4 Ų | 92.4 | 37% | 0.369 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 124.2 | 174 | -56.2 | 174.6 | 0 | 0 | 0 | 107.8 | V42 L44 L54 | V42-I56 HydrophobicContact CG2-CB 4.24Å; V42-I56 VanDerWaalsContact CG2-O 3.31Å; V42-I56 WeakPolarHBondContact CG2-O 3.35Å; V42-I56 PolarHBondContact N-O 3.29Å; V42-I56 PolarHBondContact O-N 3.49Å; L44-I56 HydrophobicContact CD1-CD1 3.53Å; L44-I56 HydrophobicContact CD1-CG1 4.32Å; L54-I56 HydrophobicContact CD2-CD1 3.96Å; L54-I56 HydrophobicContact CD2-CG1 4.04Å; L54-I56 HydrophobicContact CG-CD1 4.43Å; L54-I56 HydrophobicContact CG-CG1 3.99Å |
| 57 | F | 73.7 | Confident | 69.5 | Low | 126 Ų | 126 | 93.5 Ų | 93.5 | 55% | 0.553 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 118 | 173.7 | -177.9 | -101.3 | 0 | 0 | 0 | 109.5 | Q59 | F57-Q59 HydrophobicContact CD1-CG 4.48Å; F57-Q59 HydrophobicContact CE1-CG 4.28Å |
| 58 | I | 71.4 | Confident | 69.6 | Low | 14 Ų | 14 | 89.5 Ų | 89.5 | 7% | 0.072 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 115.6 | 178 | -55.1 | 151 | 0 | 0 | 0 | 107.4 | G39 Q40 V42 Y61 H81 | G39-I58 PolarHBondContact N-O 3.27Å; Q40-I58 PolarHBondContact O-N 3.32Å; V42-I58 HydrophobicContact CG1-CD1 4.2Å; V42-I58 HydrophobicContact CG2-CD1 3.5Å; V42-I58 HydrophobicContact CG2-CG1 4.05Å; I58-Y61 HydrophobicContact CG2-CE1 4.25Å; I58-H81 WeakPolarHBondContact CD1-CE1 3.37Å |
| 59 | Q | 72.5 | Confident | 70.1 | Confident | 153 Ų | 153 | 87.8 Ų | 87.8 | 72% | 0.715 | 52% | 0.518 | S | S | * | . | trans | -59.9 | 141.6 | 175.4 | -71.9 | -169.6 | -6.2 | 0 | 0 | 110.5 | F57 Y61 | F57-Q59 HydrophobicContact CD1-CG 4.48Å; F57-Q59 HydrophobicContact CE1-CG 4.28Å; Q59-Y61 PolarHBondContact O-N 3.3Å | ||
| 60 | P | 73.6 | Confident | 70.5 | Confident | 93 Ų | 93 | 89.9 Ų | 89.9 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | trans | -63.3 | 125 | 176.4 | 26.9 | -33.2 | 0 | 0 | 0 | 109.8 | C37 | C37-P60 CarbonylContact O-C 3.51Å; C37-P60 VanDerWaalsContact O-CA 3.31Å; C37-P60 WeakPolarHBondContact O-CA 3.38Å | ||
| 61 | Y | 74.3 | Confident | 70.7 | Confident | 55 Ų | 55 | 89.7 Ų | 89.7 | 22% | 0.216 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 151.9 | 174.1 | 66.4 | -86.3 | 0 | 0 | 0 | 110.3 | C37 I58 Q59 N82 | C37-Y61 HydrophobicContact CB-CD1 3.92Å; C37-Y61 HydrophobicContact CB-CD2 3.85Å; C37-Y61 HydrophobicContact CB-CE1 3.5Å; C37-Y61 HydrophobicContact CB-CE2 3.43Å; C37-Y61 VanDerWaalsContact CB-CE2 3.43Å; C37-Y61 HydrophobicContact CB-CG 4.09Å; C37-Y61 PolarHBondContact N-O 3.36Å; C37-Y61 PolarHBondContact O-N 2.98Å; C37-Y61 VanDerWaalsContact O-O 3.08Å; C37-Y61 VanDerWaalsContact SG-CE2 3.54Å; I58-Y61 HydrophobicContact CG2-CE1 4.25Å; Q59-Y61 PolarHBondContact O-N 3.3Å; Y61-N82 PolarHBondContact OH-O 3.49Å |
| 62 | T | 73.4 | Confident | 71 | Confident | 84 Ų | 84 | 89.2 Ų | 89.2 | 52% | 0.515 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 134.6 | 179.3 | -49.7 | 0 | 0 | 0 | 0 | 108.9 | D35 P64 | D35-T62 WeakPolarHBondContact O-CA 3.49Å; T62-P64 CarbonylContact O-C 3.52Å |
| 63 | C | 70.6 | Confident | 71.3 | Confident | 4 Ų | 4 | 81 Ų | 81 | 3% | 0.027 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -93.5 | 138.6 | 170.6 | -67.1 | 0 | 0 | 0 | 0 | 110 | D35 C83 | D35-C63 PolarHBondContact O-N 3.11Å; D35-C63 VanDerWaalsContact O-N 3.09Å; C63-C83 VanDerWaalsContact CA-SG 3.54Å; C63-C83 HydrophobicContact CB-CB 3.98Å; C63-C83 WeakPolarHBondContact CB-SG 3.46Å; C63-C83 VanDerWaalsContact SG-CA 3.6Å; C63-C83 WeakPolarHBondContact SG-CB 3.29Å; C63-C83 CovalentContact SG-SG 2.05Å; C63-C83 PolarHBondContact SG-SG 3.24Å |
| 64 | P | 71.8 | Confident | 71.3 | Confident | 69 Ų | 69 | 77.5 Ų | 77.5 | 45% | 0.448 | 44% | 0.443 | S | S | . | . | S | Bend | cis | -80.4 | 138.6 | 3.4 | 31.9 | -33.6 | 0 | 0 | 0 | 113.2 | T62 V68 | T62-P64 CarbonylContact O-C 3.52Å; P64-V68 HydrophobicContact CB-CG2 4.2Å |
| 65 | A | 70.9 | Confident | 71.3 | Confident | 33 Ų | 33 | 73.2 Ų | 73.2 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 149.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G67 V68 | A65-G67 PolarHBondContact O-N 3.09Å; A65-G67 VanDerWaalsContact O-N 3.11Å; A65-V68 HydrophobicContact CB-CG1 4.47Å; A65-V68 HydrophobicContact CB-CG2 3.94Å; A65-V68 WeakPolarHBondContact O-CG2 3.36Å; A65-V68 PolarHBondContact O-N 3.32Å |
| 66 | P | 71.2 | Confident | 71.4 | Confident | 140 Ų | 140 | 70.1 Ų | 70.1 | 91% | 0.909 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 116.5 | 175.6 | 25.5 | -32.5 | 0 | 0 | 0 | 110 | ||
| 67 | G | 70.5 | Confident | 71.2 | Confident | 88 Ų | 88 | 71.6 Ų | 71.6 | 91% | 0.907 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.2 | -5.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A65 | A65-G67 PolarHBondContact O-N 3.09Å; A65-G67 VanDerWaalsContact O-N 3.11Å |
| 68 | V | 67 | Low | 70.8 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 29% | 0.291 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -95.1 | 151.3 | 167.7 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | P64 A65 W72 | P64-V68 HydrophobicContact CB-CG2 4.2Å; A65-V68 HydrophobicContact CB-CG1 4.47Å; A65-V68 HydrophobicContact CB-CG2 3.94Å; A65-V68 WeakPolarHBondContact O-CG2 3.36Å; A65-V68 PolarHBondContact O-N 3.32Å; V68-W72 HydrophobicContact CB-CE3 4.16Å; V68-W72 HydrophobicContact CG1-CE3 4.05Å; V68-W72 HydrophobicContact CG1-CZ3 4.49Å; V68-W72 HydrophobicContact CG2-CB 4.24Å |
| 69 | P | 72.7 | Confident | 70.3 | Confident | 62 Ų | 62 | 73.8 Ų | 73.8 | 40% | 0.403 | 44% | 0.437 | S | S | . | . | trans | -67.7 | 145.5 | 179.1 | 31.1 | -38.2 | 0 | 0 | 0 | 111 | H71 W72 | P69-H71 WeakPolarHBondContact CB-CE1 3.44Å; P69-H71 WeakPolarHBondContact CB-ND1 3.22Å; P69-H71 WeakPolarHBondContact CG-CE1 3.35Å; P69-H71 PolarHBondContact O-N 2.79Å; P69-W72 HydrophobicContact CG-CG 4.44Å; P69-W72 PolarHBondContact O-N 2.94Å | ||
| 70 | Q | 68.5 | Low | 69.8 | Low | 175 Ų | 175 | 69 Ų | 69 | 82% | 0.818 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -14 | -171.1 | -69.2 | -179.1 | -9.7 | 0 | 0 | 115.5 | W72 T73 | Q70-W72 PolarHBondContact O-N 3.4Å; Q70-T73 WeakPolarHBondContact O-CG2 3.43Å |
| 71 | H | 68.2 | Low | 69.3 | Low | 91 Ų | 91 | 68.6 Ų | 68.6 | 42% | 0.421 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 3.9 | 178.4 | 61.4 | -89.4 | 0 | 0 | 0 | 113.9 | P69 | P69-H71 WeakPolarHBondContact CB-CE1 3.44Å; P69-H71 WeakPolarHBondContact CB-ND1 3.22Å; P69-H71 WeakPolarHBondContact CG-CE1 3.35Å; P69-H71 PolarHBondContact O-N 2.79Å |
| 72 | W | 72.1 | Confident | 69 | Low | 77 Ų | 77 | 69 Ų | 69 | 29% | 0.292 | 42% | 0.416 | S | S | . | . | trans | -104.4 | 68 | 178.1 | -71.9 | 24 | 0 | 0 | 0 | 110.2 | V68 P69 Q70 C83 | V68-W72 HydrophobicContact CB-CE3 4.16Å; V68-W72 HydrophobicContact CG1-CE3 4.05Å; V68-W72 HydrophobicContact CG1-CZ3 4.49Å; V68-W72 HydrophobicContact CG2-CB 4.24Å; P69-W72 HydrophobicContact CG-CG 4.44Å; P69-W72 PolarHBondContact O-N 2.94Å; Q70-W72 PolarHBondContact O-N 3.4Å; W72-C83 HydrophobicContact CB-CB 3.92Å; W72-C83 HydrophobicContact CE3-CB 4.4Å; W72-C83 WeakPolarHBondContact CZ3-O 3.33Å; W72-C83 WeakPolarHBondContact O-CB 3.36Å | ||
| 73 | T | 70.7 | Confident | 69.1 | Low | 50 Ų | 50 | 65.2 Ų | 65.2 | 31% | 0.307 | 39% | 0.393 | S | S | . | . | trans | -94.8 | -1.6 | -175.9 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | Q70 | Q70-T73 WeakPolarHBondContact O-CG2 3.43Š| ||
| 74 | S | 68.6 | Low | 69.2 | Low | 11 Ų | 11 | 66.9 Ų | 66.9 | 8% | 0.077 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 147 | -174.4 | -64.6 | 0 | 0 | 0 | 0 | 112 | C83 C84 | S74-C83 CarbonylContact O-C 3.58Å; S74-C83 WeakPolarHBondContact O-CA 3.33Å; S74-C84 PolarHBondContact O-N 3.28Å |
| 75 | C | 72.4 | Confident | 69.1 | Low | 17 Ų | 17 | 69.7 Ų | 69.7 | 12% | 0.115 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 136.4 | 173.5 | -45.6 | 0 | 0 | 0 | 0 | 110.6 | C32 C37 | C32-C75 HydrophobicContact CB-CB 4.05Å; C32-C75 WeakPolarHBondContact SG-CB 3.33Å; C37-C75 WeakPolarHBondContact CA-SG 3.2Å; C37-C75 HydrophobicContact CB-CB 3.72Å; C37-C75 WeakPolarHBondContact CB-SG 3.42Å; C37-C75 WeakPolarHBondContact SG-CA 3.29Å; C37-C75 WeakPolarHBondContact SG-CB 3.4Å; C37-C75 CovalentContact SG-SG 1.99Å; C37-C75 PolarHBondContact SG-SG 3.45Å |
| 76 | C | 73.3 | Confident | 68.8 | Low | 10 Ų | 10 | 70.9 Ų | 70.9 | 7% | 0.068 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 150.6 | 170.9 | -37.7 | 0 | 0 | 0 | 0 | 111.2 | S80 N82 C84 | C76-S80 WeakPolarHBondContact CB-O 3.06Å; C76-N82 PolarHBondContact N-O 3.35Å; C76-N82 VanDerWaalsContact SG-C 3.54Å; C76-N82 PolarHBondContact SG-O 2.93Å; C76-N82 PolarHBondContact SG-OD1 3.21Å; C76-C84 HydrophobicContact CB-CB 4.03Å; C76-C84 WeakPolarHBondContact CB-SG 3.41Å; C76-C84 WeakPolarHBondContact SG-CA 3.32Å; C76-C84 WeakPolarHBondContact SG-CB 3.34Å; C76-C84 PolarHBondContact SG-N 2.99Å; C76-C84 CovalentContact SG-SG 1.99Å; C76-C84 PolarHBondContact SG-SG 3.07Å |
| 77 | D | 67.3 | Low | 68 | Low | 103 Ų | 103 | 70 Ų | 70 | 55% | 0.551 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -68 | 148 | 168.6 | -73.4 | -53.6 | 0 | 0 | 0 | 111.4 | ||
| 78 | P | 65.1 | Low | 67.2 | Low | 62 Ų | 62 | 68.8 Ų | 68.8 | 40% | 0.403 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 143.6 | 179.2 | 26.4 | -32.7 | 0 | 0 | 0 | 110.2 | L31 | L31-P78 HydrophobicContact CD2-CG 4.31Š|
| 79 | P | 61.7 | Low | 66.3 | Low | 125 Ų | 125 | 71.9 Ų | 71.9 | 81% | 0.812 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -95.2 | -5 | 29.1 | 34.2 | -36.5 | 0 | 0 | 0 | 116.1 | H81 | P79-H81 PolarHBondContact O-N 3.06Š|
| 80 | S | 61.2 | Low | 65.1 | Low | 51 Ų | 51 | 74.5 Ų | 74.5 | 36% | 0.357 | 41% | 0.407 | S | S | . | . | trans | -92.9 | 102.4 | -177.8 | 59.9 | 0 | 0 | 0 | 0 | 110.5 | C76 N82 | C76-S80 WeakPolarHBondContact CB-O 3.06Å; S80-N82 WeakPolarHBondContact CB-OD1 3.3Å; S80-N82 PolarHBondContact O-N 2.9Å; S80-N82 PolarHBondContact O-OD1 2.91Å; S80-N82 PolarHBondContact OG-OD1 3.49Å; S80-N82 VanDerWaalsContact OG-OD1 3.09Å | ||
| 81 | H | 64.7 | Low | 64.1 | Low | 85 Ų | 85 | 72 Ų | 72 | 39% | 0.394 | 41% | 0.406 | S | S | . | . | trans | -78.5 | 61.3 | 173.2 | -58 | -54.1 | 0 | 0 | 0 | 111.2 | I58 P79 | I58-H81 WeakPolarHBondContact CD1-CE1 3.37Å; P79-H81 PolarHBondContact O-N 3.06Å | ||
| 82 | N | 67.9 | Low | 62.9 | Low | 64 Ų | 64 | 69.4 Ų | 69.4 | 34% | 0.342 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -121.3 | 170.6 | 176.4 | 53.1 | -12.2 | 0 | 0 | 0 | 110.6 | Y61 C76 S80 | Y61-N82 PolarHBondContact OH-O 3.49Å; C76-N82 PolarHBondContact N-O 3.35Å; C76-N82 VanDerWaalsContact SG-C 3.54Å; C76-N82 PolarHBondContact SG-O 2.93Å; C76-N82 PolarHBondContact SG-OD1 3.21Å; S80-N82 WeakPolarHBondContact CB-OD1 3.3Å; S80-N82 PolarHBondContact O-N 2.9Å; S80-N82 PolarHBondContact O-OD1 2.91Å; S80-N82 PolarHBondContact OG-OD1 3.49Å; S80-N82 VanDerWaalsContact OG-OD1 3.09Å |
| 83 | C | 74.7 | Confident | 61.6 | Low | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.034 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 139.8 | 162.2 | -59.8 | 0 | 0 | 0 | 0 | 107.5 | C63 W72 S74 | C63-C83 VanDerWaalsContact CA-SG 3.54Å; C63-C83 HydrophobicContact CB-CB 3.98Å; C63-C83 WeakPolarHBondContact CB-SG 3.46Å; C63-C83 VanDerWaalsContact SG-CA 3.6Å; C63-C83 WeakPolarHBondContact SG-CB 3.29Å; C63-C83 CovalentContact SG-SG 2.05Å; C63-C83 PolarHBondContact SG-SG 3.24Å; W72-C83 HydrophobicContact CB-CB 3.92Å; W72-C83 HydrophobicContact CE3-CB 4.4Å; W72-C83 WeakPolarHBondContact CZ3-O 3.33Å; W72-C83 WeakPolarHBondContact O-CB 3.36Å; S74-C83 CarbonylContact O-C 3.58Å; S74-C83 WeakPolarHBondContact O-CA 3.33Å |
| 84 | C | 72.4 | Confident | 60.6 | Low | 38 Ų | 38 | 75.9 Ų | 75.9 | 26% | 0.257 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 152.7 | 175.9 | -78.2 | 0 | 0 | 0 | 0 | 109.8 | S74 C76 V86 | S74-C84 PolarHBondContact O-N 3.28Å; C76-C84 HydrophobicContact CB-CB 4.03Å; C76-C84 WeakPolarHBondContact CB-SG 3.41Å; C76-C84 WeakPolarHBondContact SG-CA 3.32Å; C76-C84 WeakPolarHBondContact SG-CB 3.34Å; C76-C84 PolarHBondContact SG-N 2.99Å; C76-C84 CovalentContact SG-SG 1.99Å; C76-C84 PolarHBondContact SG-SG 3.07Å; C84-V86 PolarHBondContact O-N 3.48Å |
| 85 | R | 70.8 | Confident | 59.5 | Low | 129 Ų | 129 | 81 Ų | 81 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | trans | -70.9 | 113 | 153.5 | -175 | -176.4 | 178.7 | 125.2 | 2.2 | 107.2 | P87 E90 | R85-P87 WeakPolarHBondContact O-CD 3.49Å; R85-E90 IonicContact NH2-OE1 3.48Å; R85-E90 PolarHBondContact NH2-OE1 3.46Å | ||
| 86 | V | 63.6 | Low | 58.4 | Low | 57 Ų | 57 | 87 Ų | 87 | 35% | 0.345 | 48% | 0.483 | S | S | . | . | trans | -78.5 | 112.6 | 167.1 | 172.1 | 0 | 0 | 0 | 0 | 107.3 | C84 G88 K89 | C84-V86 PolarHBondContact O-N 3.48Å; V86-G88 PolarHBondContact O-N 3.41Å; V86-K89 HydrophobicContact CB-CB 4.05Å; V86-K89 HydrophobicContact CG1-CB 4.04Å; V86-K89 PolarHBondContact O-N 3.42Å; V86-K89 VanDerWaalsContact O-N 3.15Å | ||
| 87 | P | 55.7 | Low | 57.4 | Low | 122 Ų | 122 | 91.1 Ų | 91.1 | 79% | 0.792 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 98 | 171.9 | 29.3 | -31.7 | 0 | 0 | 0 | 107.6 | R85 | R85-P87 WeakPolarHBondContact O-CD 3.49Š|
| 88 | G | 52.1 | Low | 57.1 | Low | 62 Ų | 62 | 91.1 Ų | 91.1 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 132.7 | -11.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V86 | V86-G88 PolarHBondContact O-N 3.41Š|
| 89 | K | 48.9 | Very low | 57 | Low | 114 Ų | 114 | 93.9 Ų | 93.9 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | trans | -111.6 | 50.7 | 166.8 | -157 | -179 | -176.6 | -179.6 | 0 | 109.1 | V86 | V86-K89 HydrophobicContact CB-CB 4.05Å; V86-K89 HydrophobicContact CG1-CB 4.04Å; V86-K89 PolarHBondContact O-N 3.42Å; V86-K89 VanDerWaalsContact O-N 3.15Å | ||
| 90 | E | 46.3 | Very low | 57.4 | Low | 116 Ų | 116 | 90.9 Ų | 90.9 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | trans | -58.9 | 148.2 | 158.8 | -66.2 | -174.7 | 120.6 | 0 | 0 | 106.9 | R85 S92 | R85-E90 IonicContact NH2-OE1 3.48Å; R85-E90 PolarHBondContact NH2-OE1 3.46Å; E90-S92 PolarHBondContact O-N 3.25Å; E90-S92 PolarHBondContact O-OG 3.18Å | ||
| 91 | P | 47.7 | Very low | 57.8 | Low | 124 Ų | 124 | 90.5 Ų | 90.5 | 81% | 0.805 | 49% | 0.491 | S | S | * | . | trans | -69.1 | 63.7 | 162.5 | 32.2 | -33.5 | 0 | 0 | 0 | 106.9 | N93 | P91-N93 PolarHBondContact O-N 3.01Š| ||
| 92 | S | 44.6 | Very low | 58.3 | Low | 35 Ų | 35 | 88.1 Ų | 88.1 | 25% | 0.245 | 49% | 0.489 | C | S | . | . | trans | -77.8 | 81.3 | 176.7 | 41.4 | 0 | 0 | 0 | 0 | 105 | E90 L94 F95 E96 | E90-S92 PolarHBondContact O-N 3.25Å; E90-S92 PolarHBondContact O-OG 3.18Å; S92-L94 PolarHBondContact O-N 3.22Å; S92-F95 PolarHBondContact O-N 3.39Å; S92-F95 WeakPolarHBondContact OG-CB 3.27Å; S92-E96 PolarHBondContact O-N 3.46Å | ||
| 93 | N | 44.5 | Very low | 58.8 | Low | 133 Ų | 133 | 90.5 Ų | 90.5 | 71% | 0.711 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -14.2 | 153.6 | -66.5 | -28.3 | 0 | 0 | 0 | 110.9 | P91 I97 | P91-N93 PolarHBondContact O-N 3.01Å; N93-I97 WeakPolarHBondContact O-CD1 3.21Å; N93-I97 WeakPolarHBondContact O-CG1 3.28Å |
| 94 | L | 48.1 | Very low | 59 | Low | 131 Ų | 131 | 97.7 Ų | 97.7 | 69% | 0.686 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -30.7 | 170.6 | -56.8 | 180 | 0 | 0 | 0 | 114.8 | S92 I97 D98 | S92-L94 PolarHBondContact O-N 3.22Å; L94-I97 WeakPolarHBondContact O-CB 3.28Å; L94-I97 PolarHBondContact O-N 3.5Å; L94-D98 PolarHBondContact O-N 2.88Å; L94-D98 VanDerWaalsContact O-N 3.15Å |
| 95 | F | 46.9 | Very low | 59.4 | Low | 119 Ų | 119 | 99.4 Ų | 99.4 | 52% | 0.522 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -86.3 | -29.8 | -177.2 | -161.5 | -98.4 | 0 | 0 | 0 | 112.4 | S92 D98 Q99 | S92-F95 PolarHBondContact O-N 3.39Å; S92-F95 WeakPolarHBondContact OG-CB 3.27Å; F95-D98 PolarHBondContact O-N 3.23Å; F95-Q99 PolarHBondContact O-N 2.96Å; F95-Q99 VanDerWaalsContact O-N 3.08Å |
| 96 | E | 49.7 | Very low | 59.7 | Low | 142 Ų | 142 | 94.9 Ų | 94.9 | 66% | 0.664 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.7 | -29.7 | 167.7 | -165.3 | 157.2 | 105.6 | 0 | 0 | 111 | S92 T100 | S92-E96 PolarHBondContact O-N 3.46Å; E96-T100 WeakPolarHBondContact O-CB 3.06Å; E96-T100 WeakPolarHBondContact O-CG2 3.37Å; E96-T100 PolarHBondContact O-N 3.26Å; E96-T100 PolarHBondContact O-OG1 2.98Å |
| 97 | I | 51.7 | Low | 60.7 | Low | 97 Ų | 97 | 94 Ų | 94 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67 | -38.2 | 169.8 | -75.9 | 172.7 | 0 | 0 | 0 | 111.5 | N93 L94 T100 A101 | N93-I97 WeakPolarHBondContact O-CD1 3.21Å; N93-I97 WeakPolarHBondContact O-CG1 3.28Å; L94-I97 WeakPolarHBondContact O-CB 3.28Å; L94-I97 PolarHBondContact O-N 3.5Å; I97-T100 WeakPolarHBondContact CA-OG1 3.34Å; I97-T100 PolarHBondContact O-OG1 2.86Å; I97-T100 VanDerWaalsContact O-OG1 3.06Å; I97-A101 WeakPolarHBondContact O-CB 3.4Å; I97-A101 PolarHBondContact O-N 3.33Å |
| 98 | D | 59.9 | Low | 62.2 | Low | 102 Ų | 102 | 89.7 Ų | 89.7 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.6 | -37.5 | 177.5 | -70.9 | -33.2 | 0 | 0 | 0 | 112.9 | L94 F95 G102 | L94-D98 PolarHBondContact O-N 2.88Å; L94-D98 VanDerWaalsContact O-N 3.15Å; F95-D98 PolarHBondContact O-N 3.23Å; D98-G102 PolarHBondContact O-N 3.11Å |
| 99 | Q | 64.4 | Low | 63.7 | Low | 121 Ų | 121 | 89.2 Ų | 89.2 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.5 | -45.6 | 174.3 | -78.9 | -171.2 | -18.2 | 0 | 0 | 111.6 | F95 G102 I103 | F95-Q99 PolarHBondContact O-N 2.96Å; F95-Q99 VanDerWaalsContact O-N 3.08Å; Q99-G102 PolarHBondContact O-N 3.31Å; Q99-I103 WeakPolarHBondContact O-CD1 3.19Å; Q99-I103 VanDerWaalsContact O-CG1 3.28Å; Q99-I103 WeakPolarHBondContact O-CG1 3.43Å; Q99-I103 PolarHBondContact O-N 3.45Å |
| 100 | T | 69.2 | Low | 65.6 | Low | 61 Ų | 61 | 88.9 Ų | 88.9 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 176 | 51.1 | 0 | 0 | 0 | 0 | 111.2 | E96 I97 G102 I103 F104 | E96-T100 WeakPolarHBondContact O-CB 3.06Å; E96-T100 WeakPolarHBondContact O-CG2 3.37Å; E96-T100 PolarHBondContact O-N 3.26Å; E96-T100 PolarHBondContact O-OG1 2.98Å; I97-T100 WeakPolarHBondContact CA-OG1 3.34Å; I97-T100 PolarHBondContact O-OG1 2.86Å; I97-T100 VanDerWaalsContact O-OG1 3.06Å; T100-G102 VanDerWaalsContact C-N 3.33Å; T100-G102 PolarHBondContact O-N 3.49Å; T100-I103 PolarHBondContact O-N 3Å; T100-F104 WeakPolarHBondContact O-CD2 3.13Å; T100-F104 PolarHBondContact O-N 2.92Å |
| 101 | A | 70.1 | Confident | 67.6 | Low | 44 Ų | 44 | 88.5 Ų | 88.5 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I97 I103 F104 V105 | I97-A101 WeakPolarHBondContact O-CB 3.4Å; I97-A101 PolarHBondContact O-N 3.33Å; A101-I103 VanDerWaalsContact C-N 3.32Å; A101-I103 PolarHBondContact O-N 3.05Å; A101-F104 PolarHBondContact O-N 3Å; A101-V105 VanDerWaalsContact O-CG2 3.28Å; A101-V105 WeakPolarHBondContact O-CG2 3.34Å; A101-V105 PolarHBondContact O-N 3.25Å |
| 102 | G | 74 | Confident | 69.5 | Low | 34 Ų | 34 | 85.6 Ų | 85.6 | 35% | 0.351 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | D98 Q99 T100 A106 | D98-G102 PolarHBondContact O-N 3.11Å; Q99-G102 PolarHBondContact O-N 3.31Å; T100-G102 VanDerWaalsContact C-N 3.33Å; T100-G102 PolarHBondContact O-N 3.49Å; G102-A106 WeakPolarHBondContact O-CB 3.18Å; G102-A106 PolarHBondContact O-N 3.46Å; G102-A106 VanDerWaalsContact O-N 3.08Å |
| 103 | I | 79.3 | Confident | 71.5 | Confident | 114 Ų | 114 | 87.7 Ų | 87.7 | 59% | 0.585 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.5 | -43.8 | 175.9 | -65.5 | 159.3 | 0 | 0 | 0 | 110.8 | Q99 T100 A101 V105 A106 A107 | Q99-I103 WeakPolarHBondContact O-CD1 3.19Å; Q99-I103 VanDerWaalsContact O-CG1 3.28Å; Q99-I103 WeakPolarHBondContact O-CG1 3.43Å; Q99-I103 PolarHBondContact O-N 3.45Å; T100-I103 PolarHBondContact O-N 3Å; A101-I103 VanDerWaalsContact C-N 3.32Å; A101-I103 PolarHBondContact O-N 3.05Å; I103-V105 VanDerWaalsContact C-N 3.35Å; I103-V105 PolarHBondContact O-N 3.19Å; I103-A106 PolarHBondContact O-N 2.95Å; I103-A107 WeakPolarHBondContact O-CB 3.46Å; I103-A107 PolarHBondContact O-N 2.94Å |
| 104 | F | 78.7 | Confident | 73.6 | Confident | 156 Ų | 156 | 85.4 Ų | 85.4 | 68% | 0.684 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.5 | -41.5 | 177.5 | -91.6 | -73.7 | 0 | 0 | 0 | 112.3 | T100 A101 A107 G108 | T100-F104 WeakPolarHBondContact O-CD2 3.13Å; T100-F104 PolarHBondContact O-N 2.92Å; A101-F104 PolarHBondContact O-N 3Å; F104-A107 PolarHBondContact O-N 3.39Å; F104-G108 PolarHBondContact O-N 3.42Å |
| 105 | V | 80.6 | Confident | 75.6 | Confident | 74 Ų | 74 | 83 Ų | 83 | 45% | 0.448 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 176.1 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | A101 I103 G108 V109 | A101-V105 VanDerWaalsContact O-CG2 3.28Å; A101-V105 WeakPolarHBondContact O-CG2 3.34Å; A101-V105 PolarHBondContact O-N 3.25Å; I103-V105 VanDerWaalsContact C-N 3.35Å; I103-V105 PolarHBondContact O-N 3.19Å; V105-G108 PolarHBondContact O-N 3.47Å; V105-V109 WeakPolarHBondContact O-CG2 3.02Å; V105-V109 PolarHBondContact O-N 2.97Å |
| 106 | A | 78.5 | Confident | 77.4 | Confident | 34 Ų | 34 | 79.9 Ų | 79.9 | 28% | 0.281 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G102 I103 G108 V109 I110 | G102-A106 WeakPolarHBondContact O-CB 3.18Å; G102-A106 PolarHBondContact O-N 3.46Å; G102-A106 VanDerWaalsContact O-N 3.08Å; I103-A106 PolarHBondContact O-N 2.95Å; A106-G108 PolarHBondContact O-N 3.42Å; A106-V109 PolarHBondContact O-N 3.27Å; A106-I110 WeakPolarHBondContact O-CD1 3.24Å; A106-I110 VanDerWaalsContact O-CG1 3.3Å; A106-I110 WeakPolarHBondContact O-CG1 3.34Å; A106-I110 PolarHBondContact O-N 2.96Å |
| 107 | A | 84.4 | Confident | 79.1 | Confident | 40 Ų | 40 | 75.4 Ų | 75.4 | 33% | 0.331 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I103 F104 V109 I110 I111 | I103-A107 WeakPolarHBondContact O-CB 3.46Å; I103-A107 PolarHBondContact O-N 2.94Å; F104-A107 PolarHBondContact O-N 3.39Å; A107-V109 PolarHBondContact O-N 3.22Å; A107-I110 PolarHBondContact O-N 2.8Å; A107-I111 VanDerWaalsContact O-CG1 3.27Å; A107-I111 WeakPolarHBondContact O-CG1 3.35Å; A107-I111 PolarHBondContact O-N 2.82Å |
| 108 | G | 85.5 | Confident | 80.8 | Confident | 31 Ų | 31 | 74.3 Ų | 74.3 | 32% | 0.32 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F104 V105 A106 I110 I111 V112 | F104-G108 PolarHBondContact O-N 3.42Å; V105-G108 PolarHBondContact O-N 3.47Å; A106-G108 PolarHBondContact O-N 3.42Å; G108-I110 VanDerWaalsContact C-N 3.34Å; G108-I110 PolarHBondContact O-N 3.02Å; G108-I111 PolarHBondContact O-N 2.76Å; G108-V112 WeakPolarHBondContact O-CG2 3.08Å; G108-V112 PolarHBondContact O-N 3.49Å |
| 109 | V | 85.7 | Confident | 81.9 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 31% | 0.309 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 176.5 | 175.6 | 0 | 0 | 0 | 0 | 111 | L6 V105 A106 A107 V112 C113 | L6-V109 HydrophobicContact CD2-CG1 4.08Å; V105-V109 WeakPolarHBondContact O-CG2 3.02Å; V105-V109 PolarHBondContact O-N 2.97Å; A106-V109 PolarHBondContact O-N 3.27Å; A107-V109 PolarHBondContact O-N 3.22Å; V109-V112 PolarHBondContact O-N 2.92Å; V109-C113 WeakPolarHBondContact O-CB 3.43Å; V109-C113 PolarHBondContact O-N 3.34Å |
| 110 | I | 88.5 | Confident | 82.8 | Confident | 107 Ų | 107 | 71.3 Ų | 71.3 | 55% | 0.549 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 177.8 | -64.7 | 163.5 | 0 | 0 | 0 | 110.4 | A106 A107 G108 V112 C113 V114 | A106-I110 WeakPolarHBondContact O-CD1 3.24Å; A106-I110 VanDerWaalsContact O-CG1 3.3Å; A106-I110 WeakPolarHBondContact O-CG1 3.34Å; A106-I110 PolarHBondContact O-N 2.96Å; A107-I110 PolarHBondContact O-N 2.8Å; G108-I110 VanDerWaalsContact C-N 3.34Å; G108-I110 PolarHBondContact O-N 3.02Å; I110-V112 PolarHBondContact O-N 2.84Å; I110-C113 PolarHBondContact O-N 3.42Å; I110-V114 HydrophobicContact CG2-CG2 4.4Å; I110-V114 VanDerWaalsContact O-CG2 3.32Å; I110-V114 WeakPolarHBondContact O-CG2 3.31Å; I110-V114 PolarHBondContact O-N 3.45Å |
| 111 | I | 88.3 | Confident | 83.4 | Confident | 108 Ų | 108 | 73.6 Ų | 73.6 | 55% | 0.554 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.7 | -47.4 | -179.8 | -66.8 | 163.3 | 0 | 0 | 0 | 110.7 | A107 G108 C113 V114 V115 | A107-I111 VanDerWaalsContact O-CG1 3.27Å; A107-I111 WeakPolarHBondContact O-CG1 3.35Å; A107-I111 PolarHBondContact O-N 2.82Å; G108-I111 PolarHBondContact O-N 2.76Å; I111-C113 VanDerWaalsContact C-N 3.3Å; I111-C113 PolarHBondContact O-N 3.27Å; I111-V114 PolarHBondContact O-N 2.9Å; I111-V115 HydrophobicContact CG2-CG2 4.34Å; I111-V115 VanDerWaalsContact O-CG2 3.29Å; I111-V115 WeakPolarHBondContact O-CG2 3.16Å; I111-V115 PolarHBondContact O-N 3.48Å |
| 112 | V | 86.8 | Confident | 84.1 | Confident | 63 Ų | 63 | 75.9 Ų | 75.9 | 38% | 0.382 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 178.4 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | L2 G108 V109 I110 V115 T116 | L2-V112 HydrophobicContact CD2-CG1 3.73Å; G108-V112 WeakPolarHBondContact O-CG2 3.08Å; G108-V112 PolarHBondContact O-N 3.49Å; V109-V112 PolarHBondContact O-N 2.92Å; I110-V112 PolarHBondContact O-N 2.84Å; V112-V115 PolarHBondContact O-N 3.49Å; V112-T116 HydrophobicContact CG1-CG2 4.38Å; V112-T116 WeakPolarHBondContact O-CG2 3.49Å; V112-T116 PolarHBondContact O-N 3.31Å; V112-T116 PolarHBondContact O-OG1 2.88Å; V112-T116 VanDerWaalsContact O-OG1 3.07Å |
| 113 | C | 86.1 | Confident | 84.3 | Confident | 79 Ų | 79 | 75.5 Ų | 75.5 | 53% | 0.534 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 178.5 | -137.6 | 0 | 0 | 0 | 0 | 112.7 | V109 I110 I111 T116 A117 | V109-C113 WeakPolarHBondContact O-CB 3.43Å; V109-C113 PolarHBondContact O-N 3.34Å; I110-C113 PolarHBondContact O-N 3.42Å; I111-C113 VanDerWaalsContact C-N 3.3Å; I111-C113 PolarHBondContact O-N 3.27Å; C113-T116 WeakPolarHBondContact CA-OG1 3.23Å; C113-T116 PolarHBondContact O-OG1 3.42Å; C113-A117 WeakPolarHBondContact O-CB 2.99Å; C113-A117 PolarHBondContact O-N 3.08Å |
| 114 | V | 89.7 | Confident | 84.1 | Confident | 85 Ų | 85 | 71.7 Ų | 71.7 | 52% | 0.515 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.7 | -45.1 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | I110 I111 T116 A117 V118 | I110-V114 HydrophobicContact CG2-CG2 4.4Å; I110-V114 VanDerWaalsContact O-CG2 3.32Å; I110-V114 WeakPolarHBondContact O-CG2 3.31Å; I110-V114 PolarHBondContact O-N 3.45Å; I111-V114 PolarHBondContact O-N 2.9Å; V114-T116 PolarHBondContact O-N 3.27Å; V114-A117 PolarHBondContact O-N 3.41Å; V114-V118 HydrophobicContact CG1-CG2 4.49Å; V114-V118 WeakPolarHBondContact O-CG2 3.47Å; V114-V118 PolarHBondContact O-N 3.18Å |
| 115 | V | 89.3 | Confident | 84 | Confident | 81 Ų | 81 | 68.9 Ų | 68.9 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 178.7 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | I111 V112 A117 V118 V119 | I111-V115 HydrophobicContact CG2-CG2 4.34Å; I111-V115 VanDerWaalsContact O-CG2 3.29Å; I111-V115 WeakPolarHBondContact O-CG2 3.16Å; I111-V115 PolarHBondContact O-N 3.48Å; V112-V115 PolarHBondContact O-N 3.49Å; V115-A117 PolarHBondContact O-N 3Å; V115-V118 PolarHBondContact O-N 3.08Å; V115-V119 HydrophobicContact CG1-CG2 4.29Å; V115-V119 WeakPolarHBondContact O-CB 2.97Å; V115-V119 WeakPolarHBondContact O-CG2 3.49Å; V115-V119 PolarHBondContact O-N 3.06Å |
| 116 | T | 85 | Confident | 83.7 | Confident | 54 Ų | 54 | 73.3 Ų | 73.3 | 33% | 0.331 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 177.3 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | V112 C113 V114 V118 V119 L120 | V112-T116 HydrophobicContact CG1-CG2 4.38Å; V112-T116 WeakPolarHBondContact O-CG2 3.49Å; V112-T116 PolarHBondContact O-N 3.31Å; V112-T116 PolarHBondContact O-OG1 2.88Å; V112-T116 VanDerWaalsContact O-OG1 3.07Å; C113-T116 WeakPolarHBondContact CA-OG1 3.23Å; C113-T116 PolarHBondContact O-OG1 3.42Å; V114-T116 PolarHBondContact O-N 3.27Å; T116-V118 PolarHBondContact O-N 3.15Å; T116-V119 PolarHBondContact O-N 2.82Å; T116-L120 VanDerWaalsContact O-CG 3.28Å; T116-L120 WeakPolarHBondContact O-CG 3.44Å; T116-L120 PolarHBondContact O-N 3.33Å |
| 117 | A | 84.7 | Confident | 83.1 | Confident | 48 Ų | 48 | 80 Ų | 80 | 40% | 0.397 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C113 V114 V115 L120 I121 | C113-A117 WeakPolarHBondContact O-CB 2.99Å; C113-A117 PolarHBondContact O-N 3.08Å; V114-A117 PolarHBondContact O-N 3.41Å; V115-A117 PolarHBondContact O-N 3Å; A117-L120 PolarHBondContact O-N 3.03Å; A117-I121 WeakPolarHBondContact O-CG1 2.87Å; A117-I121 PolarHBondContact O-N 2.83Å; A117-I121 VanDerWaalsContact O-N 3.09Å |
| 118 | V | 87.4 | Confident | 82.4 | Confident | 73 Ų | 73 | 89.4 Ų | 89.4 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 177.4 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | V114 V115 T116 L120 I121 L122 | V114-V118 HydrophobicContact CG1-CG2 4.49Å; V114-V118 WeakPolarHBondContact O-CG2 3.47Å; V114-V118 PolarHBondContact O-N 3.18Å; V115-V118 PolarHBondContact O-N 3.08Å; T116-V118 PolarHBondContact O-N 3.15Å; V118-L120 VanDerWaalsContact C-N 3.33Å; V118-L120 PolarHBondContact O-N 3.23Å; V118-I121 PolarHBondContact O-N 2.87Å; V118-L122 HydrophobicContact CG1-CD1 3.96Å; V118-L122 HydrophobicContact CG1-CG 4.35Å; V118-L122 WeakPolarHBondContact O-CG 3.06Å; V118-L122 PolarHBondContact O-N 2.88Å |
| 119 | V | 84.2 | Confident | 81.4 | Confident | 73 Ų | 73 | 89.5 Ų | 89.5 | 44% | 0.442 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 176.8 | 170.8 | 0 | 0 | 0 | 0 | 111 | V115 T116 L122 C123 | V115-V119 HydrophobicContact CG1-CG2 4.29Å; V115-V119 WeakPolarHBondContact O-CB 2.97Å; V115-V119 WeakPolarHBondContact O-CG2 3.49Å; V115-V119 PolarHBondContact O-N 3.06Å; T116-V119 PolarHBondContact O-N 2.82Å; V119-L122 PolarHBondContact O-N 3.15Å; V119-C123 WeakPolarHBondContact O-CB 3.44Å; V119-C123 PolarHBondContact O-N 2.92Å; V119-C123 PolarHBondContact O-SG 3.21Å |
| 120 | L | 82.2 | Confident | 80.3 | Confident | 87 Ų | 87 | 92.5 Ų | 92.5 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 175.8 | -71.9 | 174.4 | 0 | 0 | 0 | 111.6 | T116 A117 V118 C123 C124 L131 | T116-L120 VanDerWaalsContact O-CG 3.28Å; T116-L120 WeakPolarHBondContact O-CG 3.44Å; T116-L120 PolarHBondContact O-N 3.33Å; A117-L120 PolarHBondContact O-N 3.03Å; V118-L120 VanDerWaalsContact C-N 3.33Å; V118-L120 PolarHBondContact O-N 3.23Å; L120-C123 PolarHBondContact O-N 2.78Å; L120-C124 PolarHBondContact O-N 2.82Å; L120-C124 PolarHBondContact O-SG 3.49Å; L120-L131 HydrophobicContact CD2-CD2 3.46Å; L120-L131 VanDerWaalsContact CD2-CD2 3.46Å |
| 121 | I | 83.1 | Confident | 78.9 | Confident | 109 Ų | 109 | 91 Ų | 91 | 56% | 0.559 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.2 | -49.4 | 178.1 | -65 | 164.9 | 0 | 0 | 0 | 110.5 | A117 V118 C123 C124 C125 | A117-I121 WeakPolarHBondContact O-CG1 2.87Å; A117-I121 PolarHBondContact O-N 2.83Å; A117-I121 VanDerWaalsContact O-N 3.09Å; V118-I121 PolarHBondContact O-N 2.87Å; I121-C123 PolarHBondContact O-N 3.49Å; I121-C124 PolarHBondContact O-N 3.16Å; I121-C125 PolarHBondContact O-N 3.09Å; I121-C125 VanDerWaalsContact O-N 3.11Å; I121-C125 PolarHBondContact O-SG 3.48Å |
| 122 | L | 83.4 | Confident | 77.5 | Confident | 93 Ų | 93 | 89.3 Ų | 89.3 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 178.5 | -68.6 | 175.9 | 0 | 0 | 0 | 111.7 | V118 V119 C124 C125 W126 | V118-L122 HydrophobicContact CG1-CD1 3.96Å; V118-L122 HydrophobicContact CG1-CG 4.35Å; V118-L122 WeakPolarHBondContact O-CG 3.06Å; V118-L122 PolarHBondContact O-N 2.88Å; V119-L122 PolarHBondContact O-N 3.15Å; L122-C124 VanDerWaalsContact C-N 3.3Å; L122-C124 PolarHBondContact O-N 2.9Å; L122-C125 CarbonylContact O-C 3.59Å; L122-C125 PolarHBondContact O-N 2.78Å; L122-C125 VanDerWaalsContact O-N 3.15Å; L122-W126 WeakPolarHBondContact O-CB 3.36Å; L122-W126 PolarHBondContact O-N 3.15Å |
| 123 | C | 78.5 | Confident | 76.1 | Confident | 25 Ų | 25 | 93.1 Ų | 93.1 | 17% | 0.169 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -65.3 | -30.3 | 176.2 | -74.5 | 0 | 0 | 0 | 0 | 112.9 | V119 L120 I121 C129 | V119-C123 WeakPolarHBondContact O-CB 3.44Å; V119-C123 PolarHBondContact O-N 2.92Å; V119-C123 PolarHBondContact O-SG 3.21Å; L120-C123 PolarHBondContact O-N 2.78Å; I121-C123 PolarHBondContact O-N 3.49Å; C123-C129 HydrophobicContact CB-CB 3.89Å |
| 124 | C | 75.4 | Confident | 75 | Confident | 34 Ų | 34 | 95.4 Ų | 95.4 | 23% | 0.23 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -71.9 | -31 | 173.3 | -63.7 | 0 | 0 | 0 | 0 | 112 | L120 I121 L122 Y132 C135 | L120-C124 PolarHBondContact O-N 2.82Å; L120-C124 PolarHBondContact O-SG 3.49Å; I121-C124 PolarHBondContact O-N 3.16Å; L122-C124 VanDerWaalsContact C-N 3.3Å; L122-C124 PolarHBondContact O-N 2.9Å; C124-Y132 WeakPolarHBondContact O-CD2 3.42Å; C124-C135 HydrophobicContact CB-CB 3.82Å; C124-C135 WeakPolarHBondContact CB-SG 3.26Å; C124-C135 WeakPolarHBondContact SG-CB 3.13Å; C124-C135 CovalentContact SG-SG 2.05Å; C124-C135 PolarHBondContact SG-SG 3.22Å |
| 125 | C | 76.7 | Confident | 73.7 | Confident | 98 Ų | 98 | 94.8 Ų | 94.8 | 66% | 0.662 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -87.5 | -10.4 | 177.6 | -62.6 | 0 | 0 | 0 | 0 | 113.9 | I121 L122 | I121-C125 PolarHBondContact O-N 3.09Å; I121-C125 VanDerWaalsContact O-N 3.11Å; I121-C125 PolarHBondContact O-SG 3.48Å; L122-C125 CarbonylContact O-C 3.59Å; L122-C125 PolarHBondContact O-N 2.78Å; L122-C125 VanDerWaalsContact O-N 3.15Å |
| 126 | W | 73.5 | Confident | 72.4 | Confident | 166 Ų | 166 | 97.7 Ų | 97.7 | 63% | 0.629 | 50% | 0.504 | S | S | * | . | trans | -104.6 | 113.1 | -178.5 | -80.8 | 47.1 | 0 | 0 | 0 | 110.9 | L122 R128 C129 | L122-W126 WeakPolarHBondContact O-CB 3.36Å; L122-W126 PolarHBondContact O-N 3.15Å; W126-R128 PolarHBondContact O-N 3.2Å; W126-C129 PolarHBondContact O-N 3.07Å; W126-C129 VanDerWaalsContact O-N 3.13Å | ||
| 127 | E | 67.3 | Low | 71 | Confident | 176 Ų | 176 | 100.4 Ų | 100.4 | 82% | 0.822 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -17 | -179 | -56.6 | -179.3 | 170.9 | 0 | 0 | 114.1 | ||
| 128 | R | 68.1 | Low | 69.5 | Low | 237 Ų | 237 | 104.8 Ų | 104.8 | 89% | 0.894 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -4.9 | -179.2 | -68.7 | -166.3 | -179.8 | -180 | 1.6 | 114.9 | W126 | W126-R128 PolarHBondContact O-N 3.2Š|
| 129 | C | 65.2 | Low | 67.7 | Low | 32 Ų | 32 | 105.8 Ų | 105.8 | 22% | 0.216 | 55% | 0.549 | C | S | . | . | S | Bend | trans | -92.7 | 133.8 | -176.9 | -71.7 | 0 | 0 | 0 | 0 | 111.8 | C123 W126 L131 Y132 | C123-C129 HydrophobicContact CB-CB 3.89Å; W126-C129 PolarHBondContact O-N 3.07Å; W126-C129 VanDerWaalsContact O-N 3.13Å; C129-L131 PolarHBondContact O-N 2.85Å; C129-Y132 VanDerWaalsContact O-CB 3.31Å; C129-Y132 WeakPolarHBondContact O-CB 3.16Å; C129-Y132 PolarHBondContact O-N 3.09Å |
| 130 | P | 62.5 | Low | 66.1 | Low | 115 Ų | 115 | 109.5 Ų | 109.5 | 75% | 0.747 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -10.1 | -178.1 | 28 | -35.6 | 0 | 0 | 0 | 113.8 | Y132 | P130-Y132 VanDerWaalsContact C-N 3.33Š|
| 131 | L | 60.1 | Low | 64.6 | Low | 75 Ų | 75 | 107.2 Ų | 107.2 | 39% | 0.393 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -9.5 | 174.2 | -97.6 | 82.3 | 0 | 0 | 0 | 114 | L120 C129 L133 I134 C135 | L120-L131 HydrophobicContact CD2-CD2 3.46Å; L120-L131 VanDerWaalsContact CD2-CD2 3.46Å; C129-L131 PolarHBondContact O-N 2.85Å; L131-L133 PolarHBondContact O-N 2.86Å; L131-I134 PolarHBondContact O-N 2.68Å; L131-C135 PolarHBondContact O-N 2.88Å |
| 132 | Y | 57.4 | Low | 63.3 | Low | 73 Ų | 73 | 110.6 Ų | 110.6 | 29% | 0.286 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -55.5 | -38.2 | 179.1 | -175.1 | -100.7 | 0 | 0 | 0 | 112.4 | C124 C129 P130 I134 C135 R136 | C124-Y132 WeakPolarHBondContact O-CD2 3.42Å; C129-Y132 VanDerWaalsContact O-CB 3.31Å; C129-Y132 WeakPolarHBondContact O-CB 3.16Å; C129-Y132 PolarHBondContact O-N 3.09Å; P130-Y132 VanDerWaalsContact C-N 3.33Å; Y132-I134 VanDerWaalsContact C-N 3.27Å; Y132-I134 PolarHBondContact O-N 3.35Å; Y132-C135 PolarHBondContact O-N 3.49Å; Y132-R136 HydrophobicContact CE1-CB 4.32Å; Y132-R136 WeakPolarHBondContact O-CB 3.41Å; Y132-R136 PolarHBondContact O-N 2.91Å; Y132-R136 PolarHBondContact OH-NH1 2.98Å |
| 133 | L | 57.9 | Low | 62.1 | Low | 143 Ų | 143 | 115.2 Ų | 115.2 | 75% | 0.749 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.1 | -22.5 | 178.9 | -100.8 | 132.4 | 0 | 0 | 0 | 114.7 | L131 | L131-L133 PolarHBondContact O-N 2.86Å |
| 134 | I | 63.4 | Low | 60.8 | Low | 126 Ų | 126 | 119 Ų | 119 | 65% | 0.646 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -89.9 | -35.7 | 177.7 | -59.9 | 167.8 | 0 | 0 | 0 | 110.2 | L131 Y132 T137 | L131-I134 PolarHBondContact O-N 2.68Å; Y132-I134 VanDerWaalsContact C-N 3.27Å; Y132-I134 PolarHBondContact O-N 3.35Å; I134-T137 WeakPolarHBondContact O-CG2 3.31Å; I134-T137 PolarHBondContact O-N 2.83Å |
| 135 | C | 62.6 | Low | 59.6 | Low | 72 Ų | 72 | 120.6 Ų | 120.6 | 49% | 0.486 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -76.4 | -35.7 | -178.8 | -142 | 0 | 0 | 0 | 0 | 111.6 | C124 L131 Y132 T137 | C124-C135 HydrophobicContact CB-CB 3.82Å; C124-C135 WeakPolarHBondContact CB-SG 3.26Å; C124-C135 WeakPolarHBondContact SG-CB 3.13Å; C124-C135 CovalentContact SG-SG 2.05Å; C124-C135 PolarHBondContact SG-SG 3.22Å; L131-C135 PolarHBondContact O-N 2.88Å; Y132-C135 PolarHBondContact O-N 3.49Å; C135-T137 PolarHBondContact O-N 3.47Å; C135-T137 VanDerWaalsContact O-N 3.15Å |
| 136 | R | 61.3 | Low | 58.3 | Low | 142 Ų | 142 | 120.9 Ų | 120.9 | 54% | 0.536 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -84.2 | 65.9 | 161.7 | -161 | -179.6 | -169.3 | 153.4 | -1.5 | 107.2 | Y132 E138 | Y132-R136 HydrophobicContact CE1-CB 4.32Å; Y132-R136 WeakPolarHBondContact O-CB 3.41Å; Y132-R136 PolarHBondContact O-N 2.91Å; Y132-R136 PolarHBondContact OH-NH1 2.98Å; R136-E138 PolarHBondContact O-N 3.45Å |
| 137 | T | 56.5 | Low | 57.4 | Low | 112 Ų | 112 | 116.2 Ų | 116.2 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | trans | -54.4 | 102.6 | 161.3 | 53.3 | 0 | 0 | 0 | 0 | 104.8 | I134 C135 A139 | I134-T137 WeakPolarHBondContact O-CG2 3.31Å; I134-T137 PolarHBondContact O-N 2.83Å; C135-T137 PolarHBondContact O-N 3.47Å; C135-T137 VanDerWaalsContact O-N 3.15Å; T137-A139 PolarHBondContact O-N 3.5Å | ||
| 138 | E | 52 | Low | 56.7 | Low | 139 Ų | 139 | 115.5 Ų | 115.5 | 65% | 0.65 | 62% | 0.618 | S | S | * | * | trans | -45.4 | 111.1 | 166.7 | -68.8 | -73 | 142 | 0 | 0 | 104.4 | R136 K140 | R136-E138 PolarHBondContact O-N 3.45Å; E138-K140 PolarHBondContact O-N 3.46Å | ||
| 139 | A | 51.2 | Low | 56 | Low | 95 Ų | 95 | 111.6 Ų | 111.6 | 79% | 0.785 | 61% | 0.61 | S | S | * | * | trans | -63.4 | 75.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 103.7 | T137 P141 | T137-A139 PolarHBondContact O-N 3.5Å; A139-P141 WeakPolarHBondContact O-CD 3.5Å | ||
| 140 | K | 49.2 | Very low | 55.5 | Low | 150 Ų | 150 | 113.5 Ų | 113.5 | 65% | 0.652 | 62% | 0.621 | S | S | * | * | trans | -58.6 | 111.6 | 178.4 | -176.4 | 162 | -179.9 | 157.9 | 0 | 102.5 | E138 D142 | E138-K140 PolarHBondContact O-N 3.46Å; K140-D142 PolarHBondContact O-N 1.99Å; K140-D142 VanDerWaalsContact O-N 3.14Å | ||
| 141 | P | 50.6 | Low | 55 | Low | 40 Ų | 40 | 113 Ų | 113 | 26% | 0.26 | 62% | 0.615 | S | S | . | * | trans | -63.8 | 125.8 | 175.8 | -7.7 | 21.8 | 0 | 0 | 0 | 105.4 | A139 Y143 I144 | A139-P141 WeakPolarHBondContact O-CD 3.5Å; P141-Y143 HydrophobicContact CB-CD1 3.17Å; P141-Y143 HydrophobicContact CB-CD2 4.24Å; P141-Y143 HydrophobicContact CB-CE1 2.95Å; P141-Y143 HydrophobicContact CB-CE2 4.04Å; P141-Y143 HydrophobicContact CB-CG 3.83Å; P141-Y143 HydrophobicContact CG-CD1 4.28Å; P141-Y143 HydrophobicContact CG-CE1 3.65Å; P141-Y143 HydrophobicContact CG-CE2 4.25Å; P141-Y143 PolarHBondContact O-N 3.03Å; P141-I144 HydrophobicContact CG-CD1 4.49Å; P141-I144 PolarHBondContact O-N 3.19Å | ||
| 142 | D | 56.3 | Low | 54.7 | Low | 179 Ų | 179 | 117.7 Ų | 117.7 | 96% | 0.957 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 24.8 | 173.6 | -87.9 | -34.2 | 0 | 0 | 0 | 113 | K140 | K140-D142 PolarHBondContact O-N 1.99Å; K140-D142 VanDerWaalsContact O-N 3.14Å |
| 143 | Y | 57.9 | Low | 54.8 | Low | 190 Ų | 190 | 119.6 Ų | 119.6 | 75% | 0.745 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | -1.2 | 178.1 | 67.6 | -114.3 | 0 | 0 | 0 | 114.7 | P141 A145 | P141-Y143 HydrophobicContact CB-CD1 3.17Å; P141-Y143 HydrophobicContact CB-CD2 4.24Å; P141-Y143 HydrophobicContact CB-CE1 2.95Å; P141-Y143 HydrophobicContact CB-CE2 4.04Å; P141-Y143 HydrophobicContact CB-CG 3.83Å; P141-Y143 HydrophobicContact CG-CD1 4.28Å; P141-Y143 HydrophobicContact CG-CE1 3.65Å; P141-Y143 HydrophobicContact CG-CE2 4.25Å; P141-Y143 PolarHBondContact O-N 3.03Å; Y143-A145 PolarHBondContact O-N 2.96Å |
| 144 | I | 51.7 | Low | 55 | Low | 106 Ų | 106 | 116.9 Ų | 116.9 | 54% | 0.544 | 65% | 0.651 | S | S | . | * | trans | -88 | 92.4 | 177.8 | -47.3 | 175.9 | 0 | 0 | 0 | 108.8 | P141 T146 | P141-I144 HydrophobicContact CG-CD1 4.49Å; P141-I144 PolarHBondContact O-N 3.19Å; I144-T146 PolarHBondContact O-N 3.05Å | ||
| 145 | A | 49.4 | Very low | 54.7 | Low | 67 Ų | 67 | 117.8 Ų | 117.8 | 55% | 0.554 | 65% | 0.654 | S | S | * | * | trans | -52.7 | 124 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y143 G147 | Y143-A145 PolarHBondContact O-N 2.96Å; A145-G147 PolarHBondContact O-N 3.21Å | ||
| 146 | T | 51.1 | Low | 54.7 | Low | 104 Ų | 104 | 120.4 Ų | 120.4 | 64% | 0.638 | 67% | 0.67 | S | S | * | * | trans | -51.5 | 130.8 | 171.5 | -51.4 | 0 | 0 | 0 | 0 | 109.1 | I144 D148 | I144-T146 PolarHBondContact O-N 3.05Å; T146-D148 PolarHBondContact O-N 2.96Å | ||
| 147 | G | 52.9 | Low | 54.6 | Low | 67 Ų | 67 | 119.3 Ų | 119.3 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 28.5 | -163.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | A145 | A145-G147 PolarHBondContact O-N 3.21Š|
| 148 | D | 53.8 | Low | 54.5 | Low | 161 Ų | 161 | 123 Ų | 123 | 86% | 0.861 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118 | 6 | -179.5 | -83.9 | -30.8 | 0 | 0 | 0 | 114.2 | T146 | T146-D148 PolarHBondContact O-N 2.96Š|
| 149 | E | 54 | Low | 54.4 | Low | 156 Ų | 156 | 122.7 Ų | 122.7 | 73% | 0.729 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -134.4 | 12.5 | -177.4 | 43.6 | -165.7 | 140.7 | 0 | 0 | 114.9 | V151 | E149-V151 PolarHBondContact O-N 1.99Š|
| 150 | V | 54 | Low | 54.5 | Low | 72 Ų | 72 | 127.7 Ų | 127.7 | 44% | 0.436 | 70% | 0.699 | S | S | . | * | trans | -94.5 | 99.5 | 176.8 | -163.3 | 0 | 0 | 0 | 0 | 110.2 | Y152 | V150-Y152 VanDerWaalsContact C-N 3.33Å; V150-Y152 HydrophobicContact CB-CD2 4.47Å; V150-Y152 HydrophobicContact CB-CE2 4.09Å; V150-Y152 HydrophobicContact CG1-CE2 4.37Å; V150-Y152 WeakPolarHBondContact O-CD2 3.08Å; V150-Y152 PolarHBondContact O-N 3.4Å | ||
| 151 | V | 51.1 | Low | 54.7 | Low | 104 Ų | 104 | 128.6 Ų | 128.6 | 63% | 0.63 | 71% | 0.705 | S | S | * | * | trans | -67.5 | 91.6 | 168.3 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | E149 S153 A154 | E149-V151 PolarHBondContact O-N 1.99Å; V151-S153 VanDerWaalsContact CG1-OG 3.25Å; V151-S153 WeakPolarHBondContact CG1-OG 3.16Å; V151-S153 PolarHBondContact O-N 3.17Å; V151-A154 PolarHBondContact O-N 2.79Å | ||
| 152 | Y | 55.3 | Low | 54.6 | Low | 174 Ų | 174 | 134 Ų | 134 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -60.7 | -9.9 | 174.5 | -73.6 | -84.9 | 0 | 0 | 0 | 113.4 | V150 A154 | V150-Y152 VanDerWaalsContact C-N 3.33Å; V150-Y152 HydrophobicContact CB-CD2 4.47Å; V150-Y152 HydrophobicContact CB-CE2 4.09Å; V150-Y152 HydrophobicContact CG1-CE2 4.37Å; V150-Y152 WeakPolarHBondContact O-CD2 3.08Å; V150-Y152 PolarHBondContact O-N 3.4Å; Y152-A154 PolarHBondContact O-N 3.05Å |
| 153 | S | 58.8 | Low | 54.2 | Low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -71.1 | -5.1 | 179.6 | -22.8 | 0 | 0 | 0 | 0 | 114.9 | V151 | V151-S153 VanDerWaalsContact CG1-OG 3.25Å; V151-S153 WeakPolarHBondContact CG1-OG 3.16Å; V151-S153 PolarHBondContact O-N 3.17Å |
| 154 | A | 61.2 | Low | 54 | Low | 86 Ų | 86 | 132.9 Ų | 132.9 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -104.8 | 0.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V151 Y152 | V151-A154 PolarHBondContact O-N 2.79Å; Y152-A154 PolarHBondContact O-N 3.05Å |
| 155 | M | 57.2 | Low | 53.9 | Low | 145 Ų | 145 | 135 Ų | 135 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -85.5 | 130.9 | 173.6 | -86.2 | -172.3 | -174.6 | 0 | 0 | 110.7 | T157 | M155-T157 PolarHBondContact O-N 3.25Å; M155-T157 VanDerWaalsContact O-N 3.11Å |
| 156 | P | 62.9 | Low | 53.8 | Low | 127 Ų | 127 | 141.4 Ų | 141.4 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | -65.6 | 113.4 | 172.4 | 27 | -31.2 | 0 | 0 | 0 | 108.5 | E158 | P156-E158 PolarHBondContact O-N 2.83Š| ||
| 157 | T | 59.4 | Low | 54.1 | Low | 119 Ų | 119 | 140.7 Ų | 140.7 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | trans | -64.1 | 122.7 | 170.6 | 47.5 | 0 | 0 | 0 | 0 | 108.3 | M155 N159 | M155-T157 PolarHBondContact O-N 3.25Å; M155-T157 VanDerWaalsContact O-N 3.11Å; T157-N159 PolarHBondContact O-N 3.28Å; T157-N159 PolarHBondContact O-OD1 2.86Å | ||
| 158 | E | 55.4 | Low | 54.3 | Low | 191 Ų | 191 | 142 Ų | 142 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | trans | -72 | 102.3 | 166.8 | 57.4 | -161.6 | 129.5 | 0 | 0 | 108.6 | P156 E160 | P156-E158 PolarHBondContact O-N 2.83Å; E158-E160 PolarHBondContact O-N 2.8Å; E158-E160 VanDerWaalsContact O-N 3.15Å | ||
| 159 | N | 50 | Low | 54.2 | Low | 131 Ų | 131 | 141.3 Ų | 141.3 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | -70.9 | 103.9 | 175.2 | -1.6 | -25.4 | 0 | 0 | 0 | 108.8 | T157 E161 | T157-N159 PolarHBondContact O-N 3.28Å; T157-N159 PolarHBondContact O-OD1 2.86Å; N159-E161 VanDerWaalsContact C-N 3.32Å; N159-E161 PolarHBondContact O-N 2.93Å | ||
| 160 | E | 53.2 | Low | 53.9 | Low | 201 Ų | 201 | 143.5 Ų | 143.5 | 94% | 0.939 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 32.7 | 15.9 | 143.8 | -69 | -169.3 | 106.3 | 0 | 0 | 123.6 | E158 | E158-E160 PolarHBondContact O-N 2.8Å; E158-E160 VanDerWaalsContact O-N 3.15Å |
| 161 | E | 52.9 | Low | 53.4 | Low | 168 Ų | 168 | 150.8 Ų | 150.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -124.3 | -9 | -172.5 | -54.6 | -167.5 | -171.5 | 0 | 0 | 117.8 | N159 | N159-E161 VanDerWaalsContact C-N 3.32Å; N159-E161 PolarHBondContact O-N 2.93Å |
| 162 | D | 47.9 | Very low | 53.3 | Low | 155 Ų | 155 | 151.8 Ų | 151.8 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -140.5 | 78.4 | -178.9 | -84.6 | -52.6 | 0 | 0 | 0 | 113.3 | K164 | D162-K164 PolarHBondContact O-N 3.09Š| ||
| 163 | L | 49.4 | Very low | 52.7 | Low | 167 Ų | 167 | 148.8 Ų | 148.8 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -70.4 | 67.8 | 168.2 | -158.3 | 93.1 | 0 | 0 | 0 | 110.7 | L165 | L163-L165 HydrophobicContact CD2-CD1 4.22Å; L163-L165 HydrophobicContact CG-CD1 4.34Å; L163-L165 PolarHBondContact O-N 2.05Å | ||
| 164 | K | 52.6 | Low | 52 | Low | 177 Ų | 177 | 150.2 Ų | 150.2 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -89.6 | 85.2 | 176 | -154.7 | 170 | -171.7 | 172.8 | 0 | 109.7 | D162 Y166 | D162-K164 PolarHBondContact O-N 3.09Å; K164-Y166 PolarHBondContact O-N 3.11Å | ||
| 165 | L | 50.7 | Low | 51.3 | Low | 150 Ų | 150 | 154 Ų | 154 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -53.1 | 106.6 | 167.9 | -113.3 | 77.1 | 0 | 0 | 0 | 109.5 | L163 A167 | L163-L165 HydrophobicContact CD2-CD1 4.22Å; L163-L165 HydrophobicContact CG-CD1 4.34Å; L163-L165 PolarHBondContact O-N 2.05Å; L165-A167 PolarHBondContact O-N 3.19Å | ||
| 166 | Y | 45.6 | Very low | 51 | Low | 202 Ų | 202 | 154.5 Ų | 154.5 | 79% | 0.792 | 83% | 0.827 | S | S | * | * | trans | -94.9 | 87.4 | 173.7 | -143.6 | -85 | 0 | 0 | 0 | 108.5 | K164 | K164-Y166 PolarHBondContact O-N 3.11Š| ||
| 167 | A | 57.1 | Low | 50.3 | Low | 90 Ų | 90 | 155.9 Ų | 155.9 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | trans | -91.5 | 116.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108 | L165 | L165-A167 PolarHBondContact O-N 3.19Š| ||
| 168 | P | 57.5 | Low | 49.8 | Very low | 95 Ų | 95 | 158 Ų | 158 | 62% | 0.617 | 83% | 0.832 | S | S | * | * | trans | -75.5 | 148.9 | -176.6 | 32.4 | -33.3 | 0 | 0 | 0 | 110.6 | ||||
| 169 | N | 51.7 | Low | 49.5 | Very low | 145 Ų | 145 | 156.1 Ų | 156.1 | 78% | 0.775 | 83% | 0.829 | S | S | * | * | trans | 59.1 | 80.2 | 155.7 | 50.6 | -22.4 | 0 | 0 | 0 | 120.6 | ||||
| 170 | Q | 47.9 | Very low | 49.5 | Very low | 202 Ų | 202 | 157.6 Ų | 157.6 | 94% | 0.944 | 84% | 0.837 | S | S | * | * | trans | -66.4 | 123.1 | 148.2 | -71.1 | -174.8 | -18.7 | 0 | 0 | 110.5 | ||||
| 171 | R | 44.8 | Very low | 49.2 | Very low | 225 Ų | 225 | 154.7 Ų | 154.7 | 85% | 0.849 | 83% | 0.83 | S | S | * | * | trans | -110.6 | 146.6 | 160.6 | -90.5 | -170.3 | -179.2 | -173 | 1.3 | 108.4 | ||||
| 172 | T | 47.1 | Very low | 49 | Very low | 126 Ų | 126 | 153.8 Ų | 153.8 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | 70.1 | 134.1 | 158.2 | 33.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 173 | T | 44.2 | Very low | 49 | Very low | 110 Ų | 110 | 153.7 Ų | 153.7 | 68% | 0.675 | 83% | 0.834 | S | S | * | * | cis | 172.2 | 149.1 | -10.1 | 12 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 174 | V | 43.3 | Very low | 49 | Very low | 143 Ų | 143 | 152.6 Ų | 152.6 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | trans | 71.4 | 132.7 | 148.8 | 178.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 175 | A | 45.5 | Very low | 48.7 | Very low | 166 Ų | 166 | 150.4 Ų | 150.4 | 100% | 1.372 | 84% | 0.836 | S | S | * | * | cis | -141.5 | 0 | 19 | 0 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 175 of 175 residues in 79.4 ms
(Link to these results)