| 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 | 41.2 | Very low | 51.2 | Low | 204 Ų | 204 | 120.3 Ų | 120.3 | 100% | 1.005 | 58% | 0.576 | S | S | * | * | 0 | -55.2 | 0 | -87 | 170.3 | 167.8 | 0 | 0 | 114.3 | Q3 R4 L5 | M1-Q3 PolarHBondContact O-N 3.23Å; M1-Q3 VanDerWaalsContact O-N 3.08Å; M1-R4 WeakPolarHBondContact O-CA 3.05Å; M1-R4 PolarHBondContact O-N 3.25Å; M1-L5 PolarHBondContact O-N 3.01Å | |||
| 2 | Y | 36 | Very low | 51 | Low | 89 Ų | 89 | 118.1 Ų | 118.1 | 35% | 0.349 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -49.7 | -42.4 | -162.8 | -140.6 | -82.5 | 0 | 0 | 0 | 117.1 | L5 V6 I632 R633 R634 | Y2-L5 PolarHBondContact O-N 3.41Å; Y2-V6 HydrophobicContact CD1-CG2 3.92Å; Y2-V6 HydrophobicContact CE1-CG2 3.97Å; Y2-V6 WeakPolarHBondContact O-CG2 3.36Å; Y2-V6 PolarHBondContact O-N 3Å; Y2-I632 WeakPolarHBondContact CE2-O 3.24Å; Y2-R633 WeakPolarHBondContact CE2-O 3.25Å; Y2-R633 PolarHBondContact OH-O 2.63Å; Y2-R634 HydrophobicContact CE1-CG 4.02Å; Y2-R634 WeakPolarHBondContact OH-CB 3.29Å; Y2-R634 WeakPolarHBondContact OH-CG 3.35Å; Y2-R634 PolarHBondContact OH-N 3.37Å |
| 3 | Q | 39.1 | Very low | 50.2 | Low | 168 Ų | 168 | 121.8 Ų | 121.8 | 79% | 0.785 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.2 | -32.7 | 176 | -84.6 | 171.7 | -48.5 | 0 | 0 | 114 | M1 V6 L7 | M1-Q3 PolarHBondContact O-N 3.23Å; M1-Q3 VanDerWaalsContact O-N 3.08Å; Q3-V6 PolarHBondContact O-N 3.39Å; Q3-L7 WeakPolarHBondContact O-CB 3.41Å; Q3-L7 WeakPolarHBondContact O-CG 3.37Å; Q3-L7 PolarHBondContact O-N 3.09Å |
| 4 | R | 49.9 | Very low | 50.1 | Low | 205 Ų | 205 | 119.9 Ų | 119.9 | 77% | 0.774 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.7 | -37.9 | 172.7 | -74.6 | -170.8 | 178.7 | 178.9 | -0.5 | 111.1 | M1 L7 V8 | M1-R4 WeakPolarHBondContact O-CA 3.05Å; M1-R4 PolarHBondContact O-N 3.25Å; R4-L7 PolarHBondContact O-N 3.39Å; R4-V8 WeakPolarHBondContact O-CB 3.4Å; R4-V8 VanDerWaalsContact O-CG2 3.28Å; R4-V8 WeakPolarHBondContact O-CG2 3.28Å; R4-V8 PolarHBondContact O-N 3.11Å |
| 5 | L | 53.3 | Low | 50 | Low | 84 Ų | 84 | 118.1 Ų | 118.1 | 44% | 0.44 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.9 | -42.4 | 172.2 | -98.2 | 157.5 | 0 | 0 | 0 | 112.1 | M1 Y2 V8 F9 | M1-L5 PolarHBondContact O-N 3.01Å; Y2-L5 PolarHBondContact O-N 3.41Å; L5-V8 PolarHBondContact O-N 3.06Å; L5-F9 HydrophobicContact CD2-CD2 4.15Å; L5-F9 HydrophobicContact CD2-CE2 3.84Å; L5-F9 WeakPolarHBondContact O-CB 3.08Å; L5-F9 WeakPolarHBondContact O-CD2 3.42Å; L5-F9 PolarHBondContact O-N 3.09Å |
| 6 | V | 58.9 | Low | 49.5 | Very low | 64 Ų | 64 | 116.6 Ų | 116.6 | 39% | 0.388 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.2 | -43.5 | 173.2 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | Y2 Q3 F9 S10 | Y2-V6 HydrophobicContact CD1-CG2 3.92Å; Y2-V6 HydrophobicContact CE1-CG2 3.97Å; Y2-V6 WeakPolarHBondContact O-CG2 3.36Å; Y2-V6 PolarHBondContact O-N 3Å; Q3-V6 PolarHBondContact O-N 3.39Å; V6-F9 PolarHBondContact O-N 3.17Å; V6-S10 WeakPolarHBondContact O-CB 3.35Å; V6-S10 PolarHBondContact O-N 2.04Å; V6-S10 PolarHBondContact O-OG 3.48Å; V6-S10 VanDerWaalsContact O-OG 3.08Å |
| 7 | L | 59 | Low | 49.1 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 56% | 0.56 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.8 | -38.1 | 175.6 | -80 | 168 | 0 | 0 | 0 | 112.7 | Q3 R4 S10 F11 | Q3-L7 WeakPolarHBondContact O-CB 3.41Å; Q3-L7 WeakPolarHBondContact O-CG 3.37Å; Q3-L7 PolarHBondContact O-N 3.09Å; R4-L7 PolarHBondContact O-N 3.39Å; L7-S10 PolarHBondContact O-N 2.83Å; L7-F11 WeakPolarHBondContact O-CB 3.45Å; L7-F11 PolarHBondContact O-N 3.24Å |
| 8 | V | 64.6 | Low | 48.8 | Very low | 81 Ų | 81 | 118.8 Ų | 118.8 | 49% | 0.491 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.6 | -41.7 | 175.2 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | R4 L5 F11 L12 | R4-V8 WeakPolarHBondContact O-CB 3.4Å; R4-V8 VanDerWaalsContact O-CG2 3.28Å; R4-V8 WeakPolarHBondContact O-CG2 3.28Å; R4-V8 PolarHBondContact O-N 3.11Å; L5-V8 PolarHBondContact O-N 3.06Å; V8-F11 PolarHBondContact O-N 3.22Å; V8-L12 HydrophobicContact CG1-CD1 3.86Å; V8-L12 HydrophobicContact CG1-CG 4.36Å; V8-L12 VanDerWaalsContact O-CB 3.31Å; V8-L12 WeakPolarHBondContact O-CB 3.36Å; V8-L12 VanDerWaalsContact O-CG 3.27Å; V8-L12 WeakPolarHBondContact O-CG 3.37Å; V8-L12 PolarHBondContact O-N 3.26Å |
| 9 | F | 55.2 | Low | 48.2 | Very low | 136 Ų | 136 | 116.2 Ų | 116.2 | 60% | 0.596 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.7 | -34.5 | 172.6 | -86.3 | -67.5 | 0 | 0 | 0 | 112.6 | L5 V6 W13 | L5-F9 HydrophobicContact CD2-CD2 4.15Å; L5-F9 HydrophobicContact CD2-CE2 3.84Å; L5-F9 WeakPolarHBondContact O-CB 3.08Å; L5-F9 WeakPolarHBondContact O-CD2 3.42Å; L5-F9 PolarHBondContact O-N 3.09Å; V6-F9 PolarHBondContact O-N 3.17Å; F9-W13 VanDerWaalsContact O-CB 3.23Å; F9-W13 WeakPolarHBondContact O-CB 3.26Å; F9-W13 PolarHBondContact O-N 3.14Å |
| 10 | S | 53.7 | Low | 47.4 | Very low | 51 Ų | 51 | 115 Ų | 115 | 36% | 0.357 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.6 | -41.5 | 171.6 | -67.4 | 0 | 0 | 0 | 0 | 112 | V6 L7 W13 I14 | V6-S10 WeakPolarHBondContact O-CB 3.35Å; V6-S10 PolarHBondContact O-N 2.04Å; V6-S10 PolarHBondContact O-OG 3.48Å; V6-S10 VanDerWaalsContact O-OG 3.08Å; L7-S10 PolarHBondContact O-N 2.83Å; S10-W13 PolarHBondContact O-N 3.02Å; S10-I14 WeakPolarHBondContact O-CB 3.36Å; S10-I14 WeakPolarHBondContact O-CD1 3.39Å; S10-I14 WeakPolarHBondContact O-CG1 3.45Å; S10-I14 PolarHBondContact O-N 2.99Å |
| 11 | F | 52.3 | Low | 46.8 | Very low | 134 Ų | 134 | 114.1 Ų | 114.1 | 59% | 0.588 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.8 | -45.2 | 173.4 | -105.1 | -94.3 | 0 | 0 | 0 | 111.5 | L7 V8 W13 I14 I15 | L7-F11 WeakPolarHBondContact O-CB 3.45Å; L7-F11 PolarHBondContact O-N 3.24Å; V8-F11 PolarHBondContact O-N 3.22Å; F11-W13 VanDerWaalsContact C-N 3.31Å; F11-W13 PolarHBondContact O-N 2.93Å; F11-I14 PolarHBondContact O-N 3.45Å; F11-I15 HydrophobicContact CD1-CD1 4.45Å; F11-I15 WeakPolarHBondContact O-CB 3.35Å; F11-I15 WeakPolarHBondContact O-CD1 3.46Å; F11-I15 WeakPolarHBondContact O-CG1 3.23Å; F11-I15 PolarHBondContact O-N 3.47Å |
| 12 | L | 49.5 | Very low | 46.4 | Very low | 94 Ų | 94 | 109.7 Ų | 109.7 | 49% | 0.492 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.7 | -38 | 175.2 | -74.3 | 169.4 | 0 | 0 | 0 | 111.7 | V8 I15 D16 | V8-L12 HydrophobicContact CG1-CD1 3.86Å; V8-L12 HydrophobicContact CG1-CG 4.36Å; V8-L12 VanDerWaalsContact O-CB 3.31Å; V8-L12 WeakPolarHBondContact O-CB 3.36Å; V8-L12 VanDerWaalsContact O-CG 3.27Å; V8-L12 WeakPolarHBondContact O-CG 3.37Å; V8-L12 PolarHBondContact O-N 3.26Å; L12-I15 PolarHBondContact O-N 2.92Å; L12-D16 WeakPolarHBondContact O-CB 3.39Å; L12-D16 PolarHBondContact O-N 3.23Å |
| 13 | W | 40.2 | Very low | 46.8 | Very low | 167 Ų | 167 | 108 Ų | 108 | 63% | 0.633 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -75.5 | -25.6 | 177 | -160.4 | 46.7 | 0 | 0 | 0 | 113.4 | F9 S10 F11 K17 | F9-W13 VanDerWaalsContact O-CB 3.23Å; F9-W13 WeakPolarHBondContact O-CB 3.26Å; F9-W13 PolarHBondContact O-N 3.14Å; S10-W13 PolarHBondContact O-N 3.02Å; F11-W13 VanDerWaalsContact C-N 3.31Å; F11-W13 PolarHBondContact O-N 2.93Å; W13-K17 WeakPolarHBondContact O-CB 3.33Å; W13-K17 WeakPolarHBondContact O-CG 3.49Å; W13-K17 PolarHBondContact O-N 2.72Å; W13-K17 VanDerWaalsContact O-N 3.11Å |
| 14 | I | 48.8 | Very low | 47.9 | Very low | 94 Ų | 94 | 108.7 Ų | 108.7 | 48% | 0.482 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -75.9 | -38.7 | 169.7 | -71.6 | 164.7 | 0 | 0 | 0 | 110.7 | S10 F11 N18 | S10-I14 WeakPolarHBondContact O-CB 3.36Å; S10-I14 WeakPolarHBondContact O-CD1 3.39Å; S10-I14 WeakPolarHBondContact O-CG1 3.45Å; S10-I14 PolarHBondContact O-N 2.99Å; F11-I14 PolarHBondContact O-N 3.45Å; I14-N18 WeakPolarHBondContact O-CB 3.33Å; I14-N18 PolarHBondContact O-N 3.09Å |
| 15 | I | 48 | Very low | 49.1 | Very low | 93 Ų | 93 | 99.6 Ų | 99.6 | 48% | 0.477 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -46.1 | 173.6 | -71.1 | 162.7 | 0 | 0 | 0 | 109.9 | F11 L12 K17 N18 S19 | F11-I15 HydrophobicContact CD1-CD1 4.45Å; F11-I15 WeakPolarHBondContact O-CB 3.35Å; F11-I15 WeakPolarHBondContact O-CD1 3.46Å; F11-I15 WeakPolarHBondContact O-CG1 3.23Å; F11-I15 PolarHBondContact O-N 3.47Å; L12-I15 PolarHBondContact O-N 2.92Å; I15-K17 PolarHBondContact O-N 3.14Å; I15-N18 CarbonylContact O-C 3.48Å; I15-N18 WeakPolarHBondContact O-CA 3.33Å; I15-N18 PolarHBondContact O-N 3.11Å; I15-S19 WeakPolarHBondContact O-CB 3.32Å; I15-S19 PolarHBondContact O-N 3.1Å |
| 16 | D | 42.2 | Very low | 50.7 | Low | 95 Ų | 95 | 96.2 Ų | 96.2 | 51% | 0.508 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 176.9 | -170.2 | 40.5 | 0 | 0 | 0 | 111.4 | L12 N18 S19 C20 | L12-D16 WeakPolarHBondContact O-CB 3.39Å; L12-D16 PolarHBondContact O-N 3.23Å; D16-N18 VanDerWaalsContact C-N 3.29Å; D16-N18 PolarHBondContact O-N 2.93Å; D16-S19 PolarHBondContact O-N 3.4Å; D16-S19 VanDerWaalsContact O-N 3.11Å; D16-C20 PolarHBondContact O-N 3.32Å; D16-C20 PolarHBondContact O-SG 3.12Å |
| 17 | K | 43.1 | Very low | 52.1 | Low | 137 Ų | 137 | 94 Ų | 94 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.9 | -34.1 | 170.8 | -83.8 | -169.2 | 172.7 | -167.8 | 0 | 114.2 | W13 I15 | W13-K17 WeakPolarHBondContact O-CB 3.33Å; W13-K17 WeakPolarHBondContact O-CG 3.49Å; W13-K17 PolarHBondContact O-N 2.72Å; W13-K17 VanDerWaalsContact O-N 3.11Å; I15-K17 PolarHBondContact O-N 3.14Å |
| 18 | N | 42.8 | Very low | 53 | Low | 135 Ų | 135 | 90.7 Ų | 90.7 | 72% | 0.722 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -87.9 | -9.6 | 176.5 | -71.4 | -5.3 | 0 | 0 | 0 | 113.3 | I14 I15 D16 | I14-N18 WeakPolarHBondContact O-CB 3.33Å; I14-N18 PolarHBondContact O-N 3.09Å; I15-N18 CarbonylContact O-C 3.48Å; I15-N18 WeakPolarHBondContact O-CA 3.33Å; I15-N18 PolarHBondContact O-N 3.11Å; D16-N18 VanDerWaalsContact C-N 3.29Å; D16-N18 PolarHBondContact O-N 2.93Å |
| 19 | S | 37.5 | Very low | 53.7 | Low | 69 Ų | 69 | 93.9 Ų | 93.9 | 48% | 0.483 | 53% | 0.53 | S | S | . | . | trans | -102.4 | 5.2 | 179.8 | -165.5 | 0 | 0 | 0 | 0 | 113 | I15 D16 A21 | I15-S19 WeakPolarHBondContact O-CB 3.32Å; I15-S19 PolarHBondContact O-N 3.1Å; D16-S19 PolarHBondContact O-N 3.4Å; D16-S19 VanDerWaalsContact O-N 3.11Å; S19-A21 PolarHBondContact O-N 3.44Å | ||
| 20 | C | 31.9 | Very low | 54.9 | Low | 92 Ų | 92 | 96.3 Ų | 96.3 | 62% | 0.622 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 32.6 | 173.7 | -72.3 | 0 | 0 | 0 | 0 | 114.2 | D16 | D16-C20 PolarHBondContact O-N 3.32Å; D16-C20 PolarHBondContact O-SG 3.12Å |
| 21 | A | 35 | Very low | 56.4 | Low | 98 Ų | 98 | 96.4 Ų | 96.4 | 81% | 0.81 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | 7.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S19 | S19-A21 PolarHBondContact O-N 3.44Š|
| 22 | S | 33.1 | Very low | 57.9 | Low | 111 Ų | 111 | 93 Ų | 93 | 78% | 0.776 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -138.9 | 41.5 | -177.1 | 68.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 23 | G | 44.2 | Very low | 59.5 | Low | 54 Ų | 54 | 89.6 Ų | 89.6 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -158.3 | 113.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G25 | G23-G25 VanDerWaalsContact C-N 3.3Å; G23-G25 PolarHBondContact O-N 2.93Å |
| 24 | D | 61.9 | Low | 61.5 | Low | 181 Ų | 181 | 90 Ų | 90 | 97% | 0.968 | 51% | 0.509 | S | S | * | . | trans | -77 | 62.8 | -161.1 | -56.8 | -55.9 | 0 | 0 | 0 | 114.9 | ||||
| 25 | G | 75 | Confident | 63.1 | Low | 14 Ų | 14 | 87.2 Ų | 87.2 | 14% | 0.144 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -159.7 | 162.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G23 E71 R309 | G23-G25 VanDerWaalsContact C-N 3.3Å; G23-G25 PolarHBondContact O-N 2.93Å; G25-E71 WeakPolarHBondContact CA-OE1 3.42Å; G25-E71 WeakPolarHBondContact CA-OE2 3.21Å; G25-R309 PolarHBondContact O-NH2 2.8Å |
| 26 | C | 87.5 | Confident | 64.8 | Low | 14 Ų | 14 | 88.1 Ų | 88.1 | 10% | 0.095 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -77.8 | -27.9 | -173.6 | -61 | 0 | 0 | 0 | 0 | 113.5 | I67 E71 C305 R309 | C26-I67 HydrophobicContact CB-CG2 3.63Å; C26-E71 VanDerWaalsContact N-CD 3.3Å; C26-E71 PolarHBondContact N-OE1 3.3Å; C26-E71 PolarHBondContact N-OE2 2.75Å; C26-C305 VanDerWaalsContact CA-SG 3.53Å; C26-C305 HydrophobicContact CB-CB 4.26Å; C26-C305 WeakPolarHBondContact CB-SG 3.14Å; C26-C305 WeakPolarHBondContact SG-CB 3.47Å; C26-C305 CovalentContact SG-SG 2.04Å; C26-C305 PolarHBondContact SG-SG 2.95Å; C26-R309 WeakPolarHBondContact O-CG 3.39Å; C26-R309 PolarHBondContact O-NE 2.88Å |
| 27 | F | 88.1 | Confident | 66.9 | Low | 17 Ų | 17 | 83.7 Ų | 83.7 | 8% | 0.075 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -107.2 | 161.9 | -176.1 | -56.6 | -64.8 | 0 | 0 | 0 | 114.3 | E31 K32 I67 L68 E71 R72 L308 W315 | F27-E31 HydrophobicContact CB-CB 3.97Å; F27-K32 HydrophobicContact CB-CG 4.23Å; F27-K32 WeakPolarHBondContact O-CE 3.26Å; F27-K32 PolarHBondContact O-NZ 3.13Å; F27-I67 HydrophobicContact CE2-CG2 3.81Å; F27-I67 HydrophobicContact CZ-CG2 4.3Å; F27-L68 HydrophobicContact CE2-CD2 4.05Å; F27-L68 HydrophobicContact CZ-CD2 3.59Å; F27-L68 HydrophobicContact CZ-CG 4.42Å; F27-E71 HydrophobicContact CD2-CB 3.71Å; F27-E71 HydrophobicContact CE2-CB 4.24Å; F27-E71 PolarHBondContact N-OE2 3.11Å; F27-R72 HydrophobicContact CD2-CB 4.48Å; F27-R72 HydrophobicContact CE2-CB 4.18Å; F27-L308 HydrophobicContact CE1-CB 4.26Å; F27-L308 HydrophobicContact CZ-CB 4.24Å; F27-L308 HydrophobicContact CZ-CD1 4.07Å; F27-L308 HydrophobicContact CZ-CD2 4.43Å; F27-L308 HydrophobicContact CZ-CG 4.48Å; F27-W315 AromaticContact CD1-CH2 3.76Å; F27-W315 HydrophobicContact CD1-CH2 3.76Å; F27-W315 AromaticContact CD1-CZ2 3.69Å; F27-W315 HydrophobicContact CD1-CZ2 3.69Å; F27-W315 HydrophobicContact CE1-CD2 4.08Å; F27-W315 AromaticContact CE1-CE2 3.53Å; F27-W315 HydrophobicContact CE1-CE3 4.33Å; F27-W315 AromaticContact CE1-CH2 3.62Å; F27-W315 HydrophobicContact CE1-CH2 3.62Å; F27-W315 AromaticContact CE1-CZ2 3.32Å; F27-W315 HydrophobicContact CE1-CZ2 3.32Å; F27-W315 HydrophobicContact CE1-CZ3 4.12Å; F27-W315 HydrophobicContact CZ-CD2 4.4Å; F27-W315 HydrophobicContact CZ-CH2 4.45Å; F27-W315 HydrophobicContact CZ-CZ2 4.34Å |
| 28 | G | 78.8 | Confident | 68.6 | Low | 37 Ų | 37 | 79 Ų | 79 | 38% | 0.381 | 46% | 0.458 | S | S | . | . | trans | -79.9 | 166 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F30 E31 K32 | G28-F30 VanDerWaalsContact C-N 3.32Å; G28-F30 PolarHBondContact O-N 3.38Å; G28-E31 WeakPolarHBondContact O-CA 3.22Å; G28-E31 WeakPolarHBondContact O-CB 3.48Å; G28-E31 PolarHBondContact O-N 3.43Å; G28-K32 PolarHBondContact O-N 2.95Å | ||
| 29 | L | 78.6 | Confident | 70.5 | Confident | 148 Ų | 148 | 73 Ų | 73 | 78% | 0.775 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -56.8 | -39.5 | -173.4 | -161.7 | 84.8 | 0 | 0 | 0 | 113.9 | E31 | L29-E31 PolarHBondContact O-N 3.03Š|
| 30 | F | 81.8 | Confident | 72.3 | Confident | 187 Ų | 187 | 70.4 Ų | 70.4 | 82% | 0.82 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -75.9 | -7.8 | 177.2 | -64 | -80.5 | 0 | 0 | 0 | 113.9 | G28 | G28-F30 VanDerWaalsContact C-N 3.32Å; G28-F30 PolarHBondContact O-N 3.38Å |
| 31 | E | 84 | Confident | 74.5 | Confident | 53 Ų | 53 | 67.1 Ų | 67.1 | 25% | 0.248 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -102.8 | -5.1 | 179.7 | -65 | -172.5 | 132.1 | 0 | 0 | 113.1 | F27 G28 L29 R72 K316 | F27-E31 HydrophobicContact CB-CB 3.97Å; G28-E31 WeakPolarHBondContact O-CA 3.22Å; G28-E31 WeakPolarHBondContact O-CB 3.48Å; G28-E31 PolarHBondContact O-N 3.43Å; L29-E31 PolarHBondContact O-N 3.03Å; E31-R72 WeakPolarHBondContact O-CD 3.42Å; E31-R72 PolarHBondContact O-NH1 3.46Å; E31-K316 VanDerWaalsContact OE1-CE 3.23Å; E31-K316 WeakPolarHBondContact OE1-CE 3.13Å; E31-K316 IonicContact OE1-NZ 3.48Å; E31-K316 PolarHBondContact OE1-NZ 3.01Å |
| 32 | K | 84.2 | Confident | 76.1 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 27% | 0.274 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -99.3 | 151.7 | 176.9 | -58.3 | -170.2 | -161.1 | -158.1 | 0 | 112.2 | F27 G28 E71 | F27-K32 HydrophobicContact CB-CG 4.23Å; F27-K32 WeakPolarHBondContact O-CE 3.26Å; F27-K32 PolarHBondContact O-NZ 3.13Å; G28-K32 PolarHBondContact O-N 2.95Å; K32-E71 WeakPolarHBondContact CA-O 3.49Å; K32-E71 HydrophobicContact CD-CB 4.42Å; K32-E71 WeakPolarHBondContact CE-OE2 3.31Å; K32-E71 HydrophobicContact CG-CB 4.44Å; K32-E71 IonicContact NZ-OE2 2.78Å; K32-E71 PolarHBondContact NZ-OE2 2.92Å |
| 33 | L | 83.6 | Confident | 77.5 | Confident | 23 Ų | 23 | 65 Ų | 65 | 12% | 0.12 | 35% | 0.348 | C | S | . | . | trans | -73.6 | 136.2 | 175.2 | -161.3 | 61.9 | 0 | 0 | 0 | 110 | W35 R37 E71 L73 W322 D323 | L33-W35 VanDerWaalsContact C-N 3.26Å; L33-W35 HydrophobicContact CD1-CD2 4.29Å; L33-W35 HydrophobicContact CD1-CH2 4.17Å; L33-W35 HydrophobicContact CD1-CZ2 3.64Å; L33-W35 WeakPolarHBondContact CD2-O 3.46Å; L33-W35 HydrophobicContact CG-CD2 4.2Å; L33-W35 HydrophobicContact CG-CG 4.31Å; L33-W35 HydrophobicContact CG-CZ2 4.36Å; L33-W35 WeakPolarHBondContact CG-O 3.39Å; L33-W35 PolarHBondContact O-N 3.32Å; L33-R37 HydrophobicContact CD2-CG 3.86Å; L33-E71 PolarHBondContact N-O 3.4Å; L33-L73 WeakPolarHBondContact CD2-O 3.48Å; L33-W322 HydrophobicContact CB-CZ3 4.41Å; L33-W322 HydrophobicContact CD1-CE3 4.02Å; L33-W322 HydrophobicContact CD1-CZ3 4.11Å; L33-D323 HydrophobicContact CD1-CB 4.32Å | ||
| 34 | K | 81.5 | Confident | 78.7 | Confident | 174 Ų | 174 | 69.3 Ų | 69.3 | 76% | 0.757 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -82 | -3.5 | -176.3 | -66.8 | -174.1 | 179.5 | -179.6 | 0 | 114.2 | ||
| 35 | W | 82.4 | Confident | 79.4 | Confident | 37 Ų | 37 | 63.2 Ų | 63.2 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -139.8 | 153.8 | 179.3 | 57.2 | 79.1 | 0 | 0 | 0 | 108.8 | L33 D323 K325 N365 E367 | L33-W35 VanDerWaalsContact C-N 3.26Å; L33-W35 HydrophobicContact CD1-CD2 4.29Å; L33-W35 HydrophobicContact CD1-CH2 4.17Å; L33-W35 HydrophobicContact CD1-CZ2 3.64Å; L33-W35 WeakPolarHBondContact CD2-O 3.46Å; L33-W35 HydrophobicContact CG-CD2 4.2Å; L33-W35 HydrophobicContact CG-CG 4.31Å; L33-W35 HydrophobicContact CG-CZ2 4.36Å; L33-W35 WeakPolarHBondContact CG-O 3.39Å; L33-W35 PolarHBondContact O-N 3.32Å; W35-D323 WeakPolarHBondContact CH2-O 3.42Å; W35-D323 WeakPolarHBondContact CZ2-O 3.23Å; W35-K325 HydrophobicContact CH2-CD 4.28Å; W35-K325 HydrophobicContact CH2-CG 3.87Å; W35-K325 HydrophobicContact CZ2-CD 4.45Å; W35-K325 HydrophobicContact CZ2-CG 3.66Å; W35-N365 WeakPolarHBondContact CB-O 3.31Å; W35-E367 VanDerWaalsContact CD1-CB 3.42Å; W35-E367 HydrophobicContact CG-CB 4.43Å |
| 36 | N | 84.1 | Confident | 79.8 | Confident | 111 Ų | 111 | 63.7 Ų | 63.7 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | trans | -80.6 | 151.5 | 174.3 | -64.6 | -36 | 0 | 0 | 0 | 110.3 | G74 T76 | N36-G74 WeakPolarHBondContact CA-O 3.41Å; N36-T76 HydrophobicContact CB-CG2 4.28Å; N36-T76 WeakPolarHBondContact OD1-CG2 3.34Å | ||
| 37 | R | 85.6 | Confident | 80 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 1% | 0.011 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -107.9 | 150.8 | 168.4 | -62.7 | -163.4 | -176.4 | -92.3 | 6.4 | 111.3 | L33 L73 G74 Y75 W322 K324 E367 | L33-R37 HydrophobicContact CD2-CG 3.86Å; R37-L73 WeakPolarHBondContact CD-O 3.5Å; R37-L73 VanDerWaalsContact CG-O 3.3Å; R37-L73 WeakPolarHBondContact CG-O 3.41Å; R37-L73 PolarHBondContact NE-O 2.79Å; R37-G74 PolarHBondContact N-O 3.36Å; R37-Y75 HydrophobicContact CB-CD1 4.09Å; R37-Y75 HydrophobicContact CB-CD2 4.16Å; R37-Y75 HydrophobicContact CB-CE1 3.88Å; R37-Y75 HydrophobicContact CB-CE2 3.97Å; R37-Y75 HydrophobicContact CB-CG 4.23Å; R37-Y75 HydrophobicContact CG-CE2 4.41Å; R37-W322 PolarHBondContact NH2-O 3.08Å; R37-K324 PolarHBondContact NH2-O 3.35Å; R37-E367 VanDerWaalsContact CA-OE1 3.29Å; R37-E367 WeakPolarHBondContact CA-OE1 3.17Å; R37-E367 WeakPolarHBondContact CD-OE2 3.35Å; R37-E367 HydrophobicContact CG-CB 4.39Å; R37-E367 VanDerWaalsContact CG-OE2 3.24Å; R37-E367 WeakPolarHBondContact CG-OE2 3.4Å; R37-E367 IonicContact CZ-OE2 2.76Å; R37-E367 IonicContact NE-OE2 3.25Å; R37-E367 IonicContact NH1-OE2 3.43Å; R37-E367 PolarHBondContact NH1-OE2 3.34Å |
| 38 | T | 78.8 | Confident | 80.2 | Confident | 39 Ų | 39 | 64.7 Ų | 64.7 | 24% | 0.239 | 33% | 0.327 | C | S | . | . | trans | -106.8 | 137.5 | 173.6 | 62 | 0 | 0 | 0 | 0 | 112.1 | V45 E367 P707 | T38-V45 HydrophobicContact CG2-CG1 4.42Å; T38-E367 PolarHBondContact N-OE1 3.31Å; T38-P707 HydrophobicContact CG2-CB 4.2Å; T38-P707 HydrophobicContact CG2-CG 4.46Å | ||
| 39 | F | 82.8 | Confident | 81 | Confident | 7 Ų | 7 | 67 Ų | 67 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | trans | -87.4 | 119.1 | 162.7 | 170.6 | -136.3 | 0 | 0 | 0 | 106.8 | L46 L48 Y75 H109 W257 L260 A263 A264 | F39-L46 HydrophobicContact CD1-CB 3.53Å; F39-L46 HydrophobicContact CE1-CB 3.62Å; F39-L46 HydrophobicContact CE1-CD1 4Å; F39-L46 HydrophobicContact CE1-CG 4.48Å; F39-L46 HydrophobicContact CG-CB 4.25Å; F39-L46 HydrophobicContact CZ-CB 4.41Å; F39-L46 HydrophobicContact CZ-CD1 4Å; F39-L46 PolarHBondContact O-N 2.95Å; F39-L48 HydrophobicContact CD1-CB 4.03Å; F39-L48 HydrophobicContact CD1-CD1 4.4Å; F39-L48 HydrophobicContact CE1-CB 4.41Å; F39-L48 HydrophobicContact CE1-CD1 4.21Å; F39-L48 HydrophobicContact CZ-CD1 4.43Å; F39-Y75 HydrophobicContact CB-CD1 4.19Å; F39-Y75 HydrophobicContact CB-CE1 4.28Å; F39-H109 AromaticContact CE1-CD2 3.91Å; F39-H109 AromaticContact CE1-CE1 3.96Å; F39-H109 AromaticContact CE1-NE2 3.81Å; F39-H109 AromaticContact CZ-CD2 3.57Å; F39-H109 AromaticContact CZ-NE2 3.79Å; F39-W257 HydrophobicContact CE2-CZ3 4.33Å; F39-W257 HydrophobicContact CZ-CZ3 4.19Å; F39-L260 HydrophobicContact CD2-CD1 4.2Å; F39-L260 HydrophobicContact CE2-CD1 3.51Å; F39-L260 HydrophobicContact CZ-CD1 3.96Å; F39-A263 HydrophobicContact CD2-CB 4.02Å; F39-A263 HydrophobicContact CE2-CB 3.59Å; F39-A264 HydrophobicContact CD2-CB 3.81Å; F39-A264 HydrophobicContact CE2-CB 4.49Å | ||
| 40 | S | 76.2 | Confident | 81.8 | Confident | 16 Ų | 16 | 60 Ų | 60 | 11% | 0.112 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 146.7 | -176.2 | 65.4 | 0 | 0 | 0 | 0 | 112.9 | K44 A263 | S40-K44 CarbonylContact C-O 3.55Å; S40-K44 WeakPolarHBondContact CA-O 3.41Å; S40-K44 VanDerWaalsContact CB-O 3.3Å; S40-K44 WeakPolarHBondContact CB-O 3.2Å; S40-A263 PolarHBondContact N-O 3.12Å; S40-A263 WeakPolarHBondContact O-CA 3.34Å; S40-A263 VanDerWaalsContact O-CB 3.25Å; S40-A263 WeakPolarHBondContact O-CB 3.48Å |
| 41 | F | 76.5 | Confident | 82.4 | Confident | 23 Ų | 23 | 51 Ų | 51 | 10% | 0.101 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 145.7 | 179.7 | -178.4 | -104.5 | 0 | 0 | 0 | 110.2 | N43 K44 L46 C102 L105 W257 K259 A263 | F41-N43 VanDerWaalsContact C-N 3.28Å; F41-N43 PolarHBondContact O-N 2.96Å; F41-K44 PolarHBondContact N-O 3.39Å; F41-K44 PolarHBondContact O-N 2.94Å; F41-L46 HydrophobicContact CB-CD1 3.88Å; F41-C102 HydrophobicContact CE1-CB 4.25Å; F41-L105 HydrophobicContact CD1-CD2 3.86Å; F41-W257 HydrophobicContact CB-CH2 4.19Å; F41-W257 AromaticContact CD1-CH2 3.69Å; F41-W257 HydrophobicContact CD1-CH2 3.69Å; F41-W257 HydrophobicContact CD1-CZ2 4.15Å; F41-W257 AromaticContact CD2-CH2 3.88Å; F41-W257 HydrophobicContact CD2-CH2 3.88Å; F41-W257 AromaticContact CE1-CH2 3.96Å; F41-W257 HydrophobicContact CE1-CH2 3.96Å; F41-W257 AromaticContact CE1-CZ2 3.96Å; F41-W257 HydrophobicContact CE1-CZ2 3.96Å; F41-W257 HydrophobicContact CE2-CH2 4.16Å; F41-W257 HydrophobicContact CE2-CZ2 4.43Å; F41-W257 AromaticContact CG-CH2 3.64Å; F41-W257 HydrophobicContact CG-CH2 3.64Å; F41-W257 HydrophobicContact CG-CZ2 4.45Å; F41-W257 HydrophobicContact CZ-CH2 4.21Å; F41-W257 HydrophobicContact CZ-CZ2 4.13Å; F41-K259 HydrophobicContact CE1-CD 4.46Å; F41-K259 HydrophobicContact CE2-CB 4.08Å; F41-K259 HydrophobicContact CE2-CD 3.66Å; F41-K259 HydrophobicContact CZ-CD 3.42Å; F41-K259 VanDerWaalsContact CZ-CD 3.42Å; F41-A263 HydrophobicContact CB-CB 4.05Å; F41-A263 HydrophobicContact CD2-CB 4.24Å |
| 42 | N | 69.4 | Low | 82.8 | Confident | 87 Ų | 87 | 48.5 Ų | 48.5 | 47% | 0.465 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.2 | 52.5 | -178.3 | -72.7 | 0.6 | 0 | 0 | 0 | 113.1 | K44 C102 | N42-K44 VanDerWaalsContact C-N 3.27Å; N42-K44 PolarHBondContact O-N 3.2Å; N42-C102 PolarHBondContact ND2-O 2.84Å |
| 43 | N | 62.4 | Low | 83.1 | Confident | 76 Ų | 76 | 46.7 Ų | 46.7 | 41% | 0.406 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 27.8 | 179.8 | -153.6 | 41.3 | 0 | 0 | 0 | 115.6 | F41 N706 | F41-N43 VanDerWaalsContact C-N 3.28Å; F41-N43 PolarHBondContact O-N 2.96Å; N43-N706 PolarHBondContact ND2-ND2 2.89Å; N43-N706 PolarHBondContact OD1-ND2 3.41Å; N43-N706 PolarHBondContact OD1-OD1 2.66Å |
| 44 | K | 69.4 | Low | 83.1 | Confident | 145 Ų | 145 | 51.1 Ų | 51.1 | 63% | 0.63 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 137.8 | 175.9 | -64.5 | -177.5 | -176.3 | -179.7 | 0 | 111.5 | S40 F41 N42 L46 | S40-K44 CarbonylContact C-O 3.55Å; S40-K44 WeakPolarHBondContact CA-O 3.41Å; S40-K44 VanDerWaalsContact CB-O 3.3Å; S40-K44 WeakPolarHBondContact CB-O 3.2Å; F41-K44 PolarHBondContact N-O 3.39Å; F41-K44 PolarHBondContact O-N 2.94Å; N42-K44 VanDerWaalsContact C-N 3.27Å; N42-K44 PolarHBondContact O-N 3.2Å; K44-L46 HydrophobicContact CB-CD2 4.14Å |
| 45 | V | 76.3 | Confident | 83 | Confident | 54 Ų | 54 | 45.4 Ų | 45.4 | 33% | 0.327 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 133.7 | 169.3 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | T38 K77 | T38-V45 HydrophobicContact CG2-CG1 4.42Å; V45-K77 HydrophobicContact CG1-CD 4.4Å |
| 46 | L | 83.8 | Confident | 83.2 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 13% | 0.126 | 23% | 0.234 | C | C | . | . | trans | -122.7 | 166.4 | -168.5 | -55.9 | -179.7 | 0 | 0 | 0 | 112.1 | F39 F41 K44 L105 | F39-L46 HydrophobicContact CD1-CB 3.53Å; F39-L46 HydrophobicContact CE1-CB 3.62Å; F39-L46 HydrophobicContact CE1-CD1 4Å; F39-L46 HydrophobicContact CE1-CG 4.48Å; F39-L46 HydrophobicContact CG-CB 4.25Å; F39-L46 HydrophobicContact CZ-CB 4.41Å; F39-L46 HydrophobicContact CZ-CD1 4Å; F39-L46 PolarHBondContact O-N 2.95Å; F41-L46 HydrophobicContact CB-CD1 3.88Å; K44-L46 HydrophobicContact CB-CD2 4.14Å; L46-L105 HydrophobicContact CD1-CD1 3.47Å; L46-L105 VanDerWaalsContact CD1-CD1 3.47Å; L46-L105 HydrophobicContact CD1-CD2 3.69Å; L46-L105 HydrophobicContact CD1-CG 4.23Å; L46-L105 HydrophobicContact CD2-CD1 3.42Å; L46-L105 VanDerWaalsContact CD2-CD1 3.42Å; L46-L105 HydrophobicContact CG-CD1 4.08Å | ||
| 47 | T | 91.1 | Very high | 83.2 | Confident | 50 Ų | 50 | 39.9 Ų | 39.9 | 31% | 0.307 | 21% | 0.207 | S | C | . | . | trans | -99.1 | 128.8 | 167 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | R49 K77 E79 H109 | T47-R49 PolarHBondContact O-N 3.3Å; T47-K77 HydrophobicContact CG2-CB 4.35Å; T47-E79 HydrophobicContact CG2-CB 3.49Å; T47-E79 VanDerWaalsContact CG2-CB 3.49Å; T47-H109 PolarHBondContact O-CE1 2.82Å | ||
| 48 | L | 93.3 | Very high | 83.5 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 121.8 | 174.1 | -177.1 | 69 | 0 | 0 | 0 | 108.5 | F39 L50 F65 K77 I78 E79 H109 L260 I267 | F39-L48 HydrophobicContact CD1-CB 4.03Å; F39-L48 HydrophobicContact CD1-CD1 4.4Å; F39-L48 HydrophobicContact CE1-CB 4.41Å; F39-L48 HydrophobicContact CE1-CD1 4.21Å; F39-L48 HydrophobicContact CZ-CD1 4.43Å; L48-L50 HydrophobicContact CD2-CD1 4.12Å; L48-L50 HydrophobicContact CG-CD1 4.01Å; L48-F65 HydrophobicContact CD2-CE1 4.15Å; L48-K77 PolarHBondContact N-O 2.87Å; L48-I78 HydrophobicContact CB-CG1 4.4Å; L48-I78 HydrophobicContact CD2-CD1 4.49Å; L48-I78 WeakPolarHBondContact O-CA 3.39Å; L48-E79 PolarHBondContact O-N 2.87Å; L48-H109 HydrophobicContact CD1-CB 3.9Å; L48-L260 HydrophobicContact CD1-CD1 3.98Å; L48-I267 HydrophobicContact CD1-CG2 4.02Å; L48-I267 HydrophobicContact CD2-CD1 4.04Å; L48-I267 HydrophobicContact CD2-CG1 4.22Å; L48-I267 HydrophobicContact CD2-CG2 3.66Å |
| 49 | R | 95.4 | Very high | 84.1 | Confident | 85 Ų | 85 | 39 Ų | 39 | 32% | 0.321 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.2 | -177.6 | -68.7 | 179.6 | 165.2 | -163 | -19.4 | 111.2 | T47 E79 V81 E107 H109 L110 | T47-R49 PolarHBondContact O-N 3.3Å; R49-E79 WeakPolarHBondContact CA-O 3.32Å; R49-E79 HydrophobicContact CG-CB 4.3Å; R49-E79 HydrophobicContact CG-CG 4.48Å; R49-E79 IonicContact CZ-OE1 3.33Å; R49-E79 IonicContact CZ-OE2 2.99Å; R49-E79 VanDerWaalsContact CZ-OE2 3.31Å; R49-E79 IonicContact NE-OE1 3.1Å; R49-E79 IonicContact NE-OE2 3.87Å; R49-E79 PolarHBondContact NE-OE2 3.1Å; R49-E79 IonicContact NH2-OE1 2.9Å; R49-E79 PolarHBondContact NH2-OE1 3.09Å; R49-E79 IonicContact NH2-OE2 3.77Å; R49-E79 PolarHBondContact NH2-OE2 3.25Å; R49-V81 HydrophobicContact CB-CG2 4.19Å; R49-V81 HydrophobicContact CG-CG2 4.33Å; R49-E107 WeakPolarHBondContact CD-O 3.43Å; R49-H109 PolarHBondContact N-ND1 3.11Å; R49-H109 PolarHBondContact O-N 3.25Å; R49-L110 PolarHBondContact O-N 3.25Å |
| 50 | L | 95.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 134.5 | 176.4 | -62.7 | 84.8 | 0 | 0 | 0 | 109.8 | L48 N62 F65 I78 E79 F80 V81 L110 L112 | L48-L50 HydrophobicContact CD2-CD1 4.12Å; L48-L50 HydrophobicContact CG-CD1 4.01Å; L50-N62 WeakPolarHBondContact CB-OD1 3.42Å; L50-N62 WeakPolarHBondContact CD2-OD1 3.29Å; L50-F65 HydrophobicContact CD2-CB 4.48Å; L50-F65 HydrophobicContact CD2-CD1 3.73Å; L50-F65 HydrophobicContact CD2-CE1 4.23Å; L50-F65 HydrophobicContact CD2-CG 4.21Å; L50-I78 HydrophobicContact CD1-CG2 3.36Å; L50-E79 PolarHBondContact N-O 3.41Å; L50-F80 HydrophobicContact CB-CD1 4.15Å; L50-F80 HydrophobicContact CB-CE1 4.5Å; L50-F80 HydrophobicContact CD1-CD1 4.41Å; L50-F80 HydrophobicContact CD1-CE1 4.4Å; L50-V81 PolarHBondContact O-N 3.14Å; L50-L110 VanDerWaalsContact CA-O 3.29Å; L50-L110 WeakPolarHBondContact CA-O 3.44Å; L50-L110 HydrophobicContact CD2-CD2 3.68Å; L50-L110 HydrophobicContact CD2-CG 4.26Å; L50-L110 HydrophobicContact CG-CB 4.34Å; L50-L110 HydrophobicContact CG-CD2 4.04Å; L50-L110 HydrophobicContact CG-CG 4.31Å; L50-L112 HydrophobicContact CD2-CD1 4.03Å |
| 51 | E | 94.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 137.2 | 171.8 | -176.4 | 162.2 | 120.7 | 0 | 0 | 110.2 | H58 N62 I83 S91 R94 I108 L110 N111 | E51-H58 PolarHBondContact O-CE1 3.39Å; E51-H58 PolarHBondContact O-NE2 2.82Å; E51-H58 VanDerWaalsContact O-NE2 3.12Å; E51-N62 PolarHBondContact O-ND2 3.07Å; E51-N62 VanDerWaalsContact O-ND2 3.15Å; E51-I83 HydrophobicContact CG-CB 4.48Å; E51-I83 HydrophobicContact CG-CG1 3.85Å; E51-S91 WeakPolarHBondContact OE1-CB 3.5Å; E51-S91 PolarHBondContact OE1-OG 3.03Å; E51-R94 IonicContact OE1-CZ 2.84Å; E51-R94 IonicContact OE1-NH2 2.76Å; E51-R94 PolarHBondContact OE1-NH2 3.03Å; E51-R94 IonicContact OE2-CZ 2.69Å; E51-R94 IonicContact OE2-NE 3.75Å; E51-R94 PolarHBondContact OE2-NE 3.06Å; E51-R94 IonicContact OE2-NH2 2.79Å; E51-R94 PolarHBondContact OE2-NH2 3.45Å; E51-R94 VanDerWaalsContact OE2-NH2 3.1Å; E51-I108 HydrophobicContact CB-CD1 4.11Å; E51-I108 HydrophobicContact CB-CG1 4.27Å; E51-I108 HydrophobicContact CB-CG2 3.8Å; E51-L110 PolarHBondContact N-O 3.29Å; E51-N111 HydrophobicContact CB-CB 3.93Å; E51-N111 PolarHBondContact OE1-ND2 3.48Å |
| 52 | V | 92.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 151.1 | 175.4 | -157 | 0 | 0 | 0 | 0 | 108.5 | H58 W59 N62 F80 V81 L82 I83 | V52-H58 HydrophobicContact CG1-CB 4.38Å; V52-W59 HydrophobicContact CG1-CB 4.46Å; V52-W59 HydrophobicContact CG1-CD2 3.66Å; V52-W59 HydrophobicContact CG1-CE3 4.27Å; V52-W59 HydrophobicContact CG1-CG 3.75Å; V52-W59 HydrophobicContact CG1-CZ2 4.16Å; V52-N62 HydrophobicContact CG2-CB 4.31Å; V52-F80 HydrophobicContact CG2-CB 3.74Å; V52-F80 HydrophobicContact CG2-CD1 4.37Å; V52-F80 HydrophobicContact CG2-CD2 4.14Å; V52-F80 HydrophobicContact CG2-CG 3.85Å; V52-V81 PolarHBondContact N-O 3.42Å; V52-L82 CarbonylContact O-C 3.59Å; V52-L82 WeakPolarHBondContact O-CA 3.46Å; V52-I83 PolarHBondContact O-N 3.27Å |
| 53 | T | 89 | Confident | 87.4 | Confident | 25 Ų | 25 | 33.4 Ų | 33.4 | 15% | 0.153 | 17% | 0.169 | C | C | . | . | trans | -122 | 173.3 | 176.5 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | N55 H58 W59 | T53-N55 PolarHBondContact O-N 3.29Å; T53-H58 PolarHBondContact N-ND1 3.09Å; T53-H58 PolarHBondContact OG1-ND1 3.15Å; T53-H58 VanDerWaalsContact OG1-ND1 3.09Å; T53-W59 VanDerWaalsContact O-CD1 3.24Å; T53-W59 PolarHBondContact O-NE1 2.92Å | ||
| 54 | N | 84 | Confident | 88.9 | Confident | 115 Ų | 115 | 29.8 Ų | 29.8 | 62% | 0.615 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -65.3 | 3 | 177.9 | -75.3 | -36.4 | 0 | 0 | 0 | 115 | ||
| 55 | N | 81 | Confident | 90.2 | Very high | 54 Ų | 54 | 22.9 Ų | 22.9 | 29% | 0.289 | 12% | 0.119 | S | C | . | . | trans | -83.9 | 122.6 | 179.3 | -177.5 | -19.3 | 0 | 0 | 0 | 111.2 | T53 E57 H58 W59 | T53-N55 PolarHBondContact O-N 3.29Å; N55-E57 VanDerWaalsContact ND2-CD 3.32Å; N55-E57 PolarHBondContact ND2-OE1 3.06Å; N55-E57 PolarHBondContact O-N 2.87Å; N55-E57 VanDerWaalsContact O-N 3.12Å; N55-E57 VanDerWaalsContact OD1-CG 3.24Å; N55-E57 WeakPolarHBondContact OD1-CG 3.47Å; N55-E57 PolarHBondContact OD1-N 3.4Å; N55-E57 VanDerWaalsContact OD1-N 3.12Å; N55-H58 HydrophobicContact CB-CB 4.5Å; N55-H58 WeakPolarHBondContact O-CB 3.32Å; N55-H58 PolarHBondContact O-N 2.92Å; N55-W59 PolarHBondContact O-N 2.95Å | ||
| 56 | P | 84.9 | Confident | 91.1 | Very high | 27 Ų | 27 | 21 Ų | 21 | 18% | 0.175 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -52 | -36.1 | -178.9 | -28.3 | 35.1 | 0 | 0 | 0 | 114.6 | H58 W59 I60 Y300 | P56-H58 VanDerWaalsContact C-N 3.28Å; P56-H58 PolarHBondContact O-N 2.99Å; P56-W59 PolarHBondContact O-N 3.47Å; P56-I60 WeakPolarHBondContact O-CG1 3.39Å; P56-I60 PolarHBondContact O-N 3.22Å; P56-I60 VanDerWaalsContact O-N 3.07Å; P56-Y300 HydrophobicContact CB-CE1 3.94Å; P56-Y300 HydrophobicContact CB-CE2 4.35Å |
| 57 | E | 85.8 | Confident | 91.6 | Very high | 6 Ų | 6 | 20.1 Ų | 20.1 | 3% | 0.028 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.7 | -30.6 | -176.7 | 85.5 | -153.5 | 169.6 | 0 | 0 | 111.9 | N55 V61 L113 R141 L281 V285 | N55-E57 VanDerWaalsContact ND2-CD 3.32Å; N55-E57 PolarHBondContact ND2-OE1 3.06Å; N55-E57 PolarHBondContact O-N 2.87Å; N55-E57 VanDerWaalsContact O-N 3.12Å; N55-E57 VanDerWaalsContact OD1-CG 3.24Å; N55-E57 WeakPolarHBondContact OD1-CG 3.47Å; N55-E57 PolarHBondContact OD1-N 3.4Å; N55-E57 VanDerWaalsContact OD1-N 3.12Å; E57-V61 WeakPolarHBondContact O-CB 3.36Å; E57-V61 WeakPolarHBondContact O-CG2 3.37Å; E57-V61 PolarHBondContact O-N 2.74Å; E57-L113 HydrophobicContact CG-CD2 3.52Å; E57-R141 IonicContact OE1-CZ 2.77Å; E57-R141 IonicContact OE1-NH1 2.76Å; E57-R141 PolarHBondContact OE1-NH1 2.59Å; E57-R141 IonicContact OE1-NH2 3.2Å; E57-R141 IonicContact OE2-CZ 2.89Å; E57-R141 IonicContact OE2-NH1 3.97Å; E57-R141 PolarHBondContact OE2-NH1 2.77Å; E57-R141 IonicContact OE2-NH2 3.77Å; E57-R141 PolarHBondContact OE2-NH2 2.93Å; E57-L281 HydrophobicContact CB-CD1 4.14Å; E57-L281 HydrophobicContact CB-CG 4.48Å; E57-V285 HydrophobicContact CB-CG2 3.36Å |
| 58 | H | 90 | Very high | 91.8 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -72.4 | -35.5 | 175.6 | -157.8 | 179 | 0 | 0 | 0 | 111.6 | E51 V52 T53 N55 P56 N62 N111 L113 | E51-H58 PolarHBondContact O-CE1 3.39Å; E51-H58 PolarHBondContact O-NE2 2.82Å; E51-H58 VanDerWaalsContact O-NE2 3.12Å; V52-H58 HydrophobicContact CG1-CB 4.38Å; T53-H58 PolarHBondContact N-ND1 3.09Å; T53-H58 PolarHBondContact OG1-ND1 3.15Å; T53-H58 VanDerWaalsContact OG1-ND1 3.09Å; N55-H58 HydrophobicContact CB-CB 4.5Å; N55-H58 WeakPolarHBondContact O-CB 3.32Å; N55-H58 PolarHBondContact O-N 2.92Å; P56-H58 VanDerWaalsContact C-N 3.28Å; P56-H58 PolarHBondContact O-N 2.99Å; H58-N62 PolarHBondContact CD2-ND2 3.35Å; H58-N62 PolarHBondContact NE2-ND2 2.81Å; H58-N62 WeakPolarHBondContact O-CB 3.32Å; H58-N62 PolarHBondContact O-N 3.08Å; H58-N62 VanDerWaalsContact O-N 3.11Å; H58-N62 PolarHBondContact O-ND2 3.42Å; H58-N111 PolarHBondContact NE2-OD1 3.08Å; H58-L113 HydrophobicContact CB-CD2 3.8Å; H58-L113 VanDerWaalsContact CD2-CB 3.41Å; H58-L113 WeakPolarHBondContact CD2-CB 3.38Å |
| 59 | W | 91.8 | Very high | 91.8 | Very high | 22 Ų | 22 | 17.6 Ų | 17.6 | 8% | 0.083 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.5 | -47.8 | 174.1 | -78 | 88 | 0 | 0 | 0 | 112.3 | V52 T53 N55 P56 V61 N62 Y63 F80 L82 Q297 Y300 | V52-W59 HydrophobicContact CG1-CB 4.46Å; V52-W59 HydrophobicContact CG1-CD2 3.66Å; V52-W59 HydrophobicContact CG1-CE3 4.27Å; V52-W59 HydrophobicContact CG1-CG 3.75Å; V52-W59 HydrophobicContact CG1-CZ2 4.16Å; T53-W59 VanDerWaalsContact O-CD1 3.24Å; T53-W59 PolarHBondContact O-NE1 2.92Å; N55-W59 PolarHBondContact O-N 2.95Å; P56-W59 PolarHBondContact O-N 3.47Å; W59-V61 VanDerWaalsContact C-N 3.34Å; W59-V61 PolarHBondContact O-N 3.29Å; W59-N62 PolarHBondContact O-N 3.06Å; W59-Y63 HydrophobicContact CB-CE2 4.42Å; W59-Y63 AromaticContact CE3-CE2 3.7Å; W59-Y63 HydrophobicContact CE3-CE2 3.7Å; W59-Y63 AromaticContact CE3-CZ 3.9Å; W59-Y63 HydrophobicContact CZ3-CE2 4.45Å; W59-Y63 WeakPolarHBondContact O-CD2 3.49Å; W59-Y63 PolarHBondContact O-N 2.8Å; W59-F80 HydrophobicContact CE3-CD2 4.17Å; W59-F80 HydrophobicContact CE3-CE2 4.41Å; W59-F80 AromaticContact CZ3-CD2 3.78Å; W59-F80 HydrophobicContact CZ3-CD2 3.78Å; W59-F80 HydrophobicContact CZ3-CE2 4.38Å; W59-L82 HydrophobicContact CZ2-CD1 4.28Å; W59-Q297 HydrophobicContact CD2-CG 4.47Å; W59-Q297 HydrophobicContact CE3-CG 4.01Å; W59-Q297 HydrophobicContact CH2-CG 4.17Å; W59-Q297 HydrophobicContact CZ3-CG 3.82Å; W59-Y300 HydrophobicContact CB-CD2 3.41Å; W59-Y300 VanDerWaalsContact CB-CD2 3.41Å; W59-Y300 HydrophobicContact CB-CE2 4.07Å; W59-Y300 HydrophobicContact CB-CG 4.09Å; W59-Y300 HydrophobicContact CD2-CD2 4.47Å; W59-Y300 AromaticContact CG-CD2 3.83Å; W59-Y300 HydrophobicContact CG-CD2 3.83Å; W59-Y300 HydrophobicContact CG-CE2 4.16Å |
| 60 | I | 91.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | -178.5 | -62.5 | 162.1 | 0 | 0 | 0 | 110.7 | P56 Y63 L64 L284 V285 A288 Y300 A304 | P56-I60 WeakPolarHBondContact O-CG1 3.39Å; P56-I60 PolarHBondContact O-N 3.22Å; P56-I60 VanDerWaalsContact O-N 3.07Å; I60-Y63 PolarHBondContact O-N 3.49Å; I60-L64 HydrophobicContact CG2-CD1 4.44Å; I60-L64 WeakPolarHBondContact O-CG 3.23Å; I60-L64 PolarHBondContact O-N 3.22Å; I60-L284 HydrophobicContact CG2-CB 4.24Å; I60-L284 HydrophobicContact CG2-CD1 4.29Å; I60-L284 HydrophobicContact CG2-CD2 4.02Å; I60-L284 HydrophobicContact CG2-CG 4.44Å; I60-V285 HydrophobicContact CD1-CG2 4.26Å; I60-A288 HydrophobicContact CD1-CB 3.63Å; I60-Y300 HydrophobicContact CD1-CD1 4.28Å; I60-Y300 HydrophobicContact CG1-CD1 4.03Å; I60-Y300 HydrophobicContact CG1-CG 4.07Å; I60-A304 HydrophobicContact CG2-CB 4.48Å |
| 61 | V | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62 | -43.7 | 176.4 | 169.3 | 0 | 0 | 0 | 0 | 111.7 | E57 W59 L64 F65 L112 L137 M274 M276 L281 | E57-V61 WeakPolarHBondContact O-CB 3.36Å; E57-V61 WeakPolarHBondContact O-CG2 3.37Å; E57-V61 PolarHBondContact O-N 2.74Å; W59-V61 VanDerWaalsContact C-N 3.34Å; W59-V61 PolarHBondContact O-N 3.29Å; V61-L64 PolarHBondContact O-N 2.94Å; V61-F65 PolarHBondContact O-N 3.42Å; V61-F65 VanDerWaalsContact O-N 3.12Å; V61-L112 HydrophobicContact CG1-CB 3.66Å; V61-L112 HydrophobicContact CG1-CD1 4.06Å; V61-L112 HydrophobicContact CG1-CG 4.42Å; V61-L137 HydrophobicContact CB-CD2 4.35Å; V61-L137 HydrophobicContact CG1-CD1 4.3Å; V61-L137 HydrophobicContact CG1-CD2 3.72Å; V61-L137 HydrophobicContact CG2-CD2 3.69Å; V61-M274 HydrophobicContact CG1-CE 3.99Å; V61-M276 HydrophobicContact CG2-SD 4.39Å; V61-L281 HydrophobicContact CG2-CD1 3.91Å |
| 62 | N | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.5 | -35.6 | 175.8 | -82.7 | -65.1 | 0 | 0 | 0 | 112.7 | L50 E51 V52 H58 W59 F65 E66 F80 | L50-N62 WeakPolarHBondContact CB-OD1 3.42Å; L50-N62 WeakPolarHBondContact CD2-OD1 3.29Å; E51-N62 PolarHBondContact O-ND2 3.07Å; E51-N62 VanDerWaalsContact O-ND2 3.15Å; V52-N62 HydrophobicContact CG2-CB 4.31Å; H58-N62 PolarHBondContact CD2-ND2 3.35Å; H58-N62 PolarHBondContact NE2-ND2 2.81Å; H58-N62 WeakPolarHBondContact O-CB 3.32Å; H58-N62 PolarHBondContact O-N 3.08Å; H58-N62 VanDerWaalsContact O-N 3.11Å; H58-N62 PolarHBondContact O-ND2 3.42Å; W59-N62 PolarHBondContact O-N 3.06Å; N62-F65 PolarHBondContact O-N 3.01Å; N62-E66 WeakPolarHBondContact O-CB 3.45Å; N62-E66 PolarHBondContact O-N 3.13Å; N62-F80 HydrophobicContact CB-CE1 4Å; N62-F80 HydrophobicContact CB-CE2 4.15Å; N62-F80 HydrophobicContact CB-CZ 3.75Å; N62-F80 WeakPolarHBondContact O-CZ 3.49Å |
| 63 | Y | 95.5 | Very high | 91.2 | Very high | 16 Ų | 16 | 20.3 Ų | 20.3 | 6% | 0.063 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.4 | -39.7 | 173.3 | -76.8 | -56.1 | 0 | 0 | 0 | 113.2 | W59 I60 F65 E66 I67 F80 Q297 K301 | W59-Y63 HydrophobicContact CB-CE2 4.42Å; W59-Y63 AromaticContact CE3-CE2 3.7Å; W59-Y63 HydrophobicContact CE3-CE2 3.7Å; W59-Y63 AromaticContact CE3-CZ 3.9Å; W59-Y63 HydrophobicContact CZ3-CE2 4.45Å; W59-Y63 WeakPolarHBondContact O-CD2 3.49Å; W59-Y63 PolarHBondContact O-N 2.8Å; I60-Y63 PolarHBondContact O-N 3.49Å; Y63-F65 VanDerWaalsContact C-N 3.25Å; Y63-F65 PolarHBondContact O-N 3.4Å; Y63-E66 WeakPolarHBondContact CD1-OE2 3.42Å; Y63-E66 PolarHBondContact O-N 3.45Å; Y63-I67 WeakPolarHBondContact O-CB 3.47Å; Y63-I67 WeakPolarHBondContact O-CD1 3.18Å; Y63-I67 VanDerWaalsContact O-CG1 3.24Å; Y63-I67 WeakPolarHBondContact O-CG1 3.36Å; Y63-I67 PolarHBondContact O-N 3.25Å; Y63-F80 AromaticContact CD1-CE2 3.72Å; Y63-F80 HydrophobicContact CD1-CE2 3.72Å; Y63-F80 AromaticContact CD1-CZ 4Å; Y63-F80 HydrophobicContact CD1-CZ 4Å; Y63-F80 HydrophobicContact CE1-CD2 4.42Å; Y63-F80 AromaticContact CE1-CE2 3.5Å; Y63-F80 HydrophobicContact CE1-CE2 3.5Å; Y63-F80 VanDerWaalsContact CE1-CE2 3.5Å; Y63-F80 HydrophobicContact CE1-CZ 4.18Å; Y63-F80 HydrophobicContact CE2-CE2 4.46Å; Y63-F80 HydrophobicContact CG-CE2 4.28Å; Y63-F80 AromaticContact CZ-CE2 3.9Å; Y63-Q297 WeakPolarHBondContact CE2-O 3.16Å; Y63-Q297 WeakPolarHBondContact OH-CB 3.34Å; Y63-K301 HydrophobicContact CD1-CB 3.8Å; Y63-K301 HydrophobicContact CD1-CD 3.78Å; Y63-K301 HydrophobicContact CD1-CG 3.73Å; Y63-K301 HydrophobicContact CD2-CB 4.01Å; Y63-K301 HydrophobicContact CE1-CB 3.92Å; Y63-K301 HydrophobicContact CE1-CD 3.73Å; Y63-K301 HydrophobicContact CE1-CG 4.06Å; Y63-K301 HydrophobicContact CE2-CB 4.11Å; Y63-K301 HydrophobicContact CG-CB 3.87Å; Y63-K301 HydrophobicContact CG-CG 4.13Å |
| 64 | L | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -56.2 | -43.6 | 172.5 | -74.9 | 172.7 | 0 | 0 | 0 | 111 | I60 V61 L68 M274 M276 L284 A304 W307 L308 | I60-L64 HydrophobicContact CG2-CD1 4.44Å; I60-L64 WeakPolarHBondContact O-CG 3.23Å; I60-L64 PolarHBondContact O-N 3.22Å; V61-L64 PolarHBondContact O-N 2.94Å; L64-L68 WeakPolarHBondContact O-CG 3.44Å; L64-L68 PolarHBondContact O-N 3.34Å; L64-M274 HydrophobicContact CB-CE 3.69Å; L64-M274 HydrophobicContact CD1-CE 4.08Å; L64-M276 HydrophobicContact CD1-SD 3.9Å; L64-L284 HydrophobicContact CD1-CD1 4.18Å; L64-A304 HydrophobicContact CD2-CB 3.78Å; L64-A304 WeakPolarHBondContact CD2-O 3.45Å; L64-A304 HydrophobicContact CG-CB 3.82Å; L64-W307 HydrophobicContact CD1-CE3 4.39Å; L64-W307 HydrophobicContact CD2-CB 4.42Å; L64-W307 HydrophobicContact CD2-CD2 4.23Å; L64-W307 HydrophobicContact CD2-CE3 3.56Å; L64-W307 HydrophobicContact CD2-CZ3 4.24Å; L64-L308 HydrophobicContact CD2-CD1 4.11Å; L64-L308 HydrophobicContact CD2-CD2 4.03Å; L64-L308 HydrophobicContact CD2-CG 3.66Å |
| 65 | F | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.7 | -46.7 | 175.6 | -167.6 | -80 | 0 | 0 | 0 | 112.5 | L48 L50 V61 N62 Y63 I67 L68 A69 L110 L112 I267 L270 A271 M274 | L48-F65 HydrophobicContact CD2-CE1 4.15Å; L50-F65 HydrophobicContact CD2-CB 4.48Å; L50-F65 HydrophobicContact CD2-CD1 3.73Å; L50-F65 HydrophobicContact CD2-CE1 4.23Å; L50-F65 HydrophobicContact CD2-CG 4.21Å; V61-F65 PolarHBondContact O-N 3.42Å; V61-F65 VanDerWaalsContact O-N 3.12Å; N62-F65 PolarHBondContact O-N 3.01Å; Y63-F65 VanDerWaalsContact C-N 3.25Å; Y63-F65 PolarHBondContact O-N 3.4Å; F65-I67 PolarHBondContact O-N 2.93Å; F65-L68 PolarHBondContact O-N 2.91Å; F65-A69 HydrophobicContact CD1-CB 4.16Å; F65-A69 HydrophobicContact CE1-CB 4.08Å; F65-A69 VanDerWaalsContact O-CB 3.24Å; F65-A69 WeakPolarHBondContact O-CB 3.05Å; F65-A69 PolarHBondContact O-N 3.34Å; F65-L110 HydrophobicContact CD1-CD2 4.21Å; F65-L110 HydrophobicContact CD2-CD2 4.23Å; F65-L110 HydrophobicContact CE1-CD2 3.71Å; F65-L110 HydrophobicContact CE2-CD2 3.71Å; F65-L110 HydrophobicContact CG-CD2 4.46Å; F65-L110 HydrophobicContact CZ-CD2 3.44Å; F65-L110 VanDerWaalsContact CZ-CD2 3.44Å; F65-L112 HydrophobicContact CB-CD1 3.52Å; F65-L112 HydrophobicContact CD2-CD1 3.68Å; F65-L112 HydrophobicContact CD2-CD2 3.98Å; F65-L112 HydrophobicContact CD2-CG 4.44Å; F65-L112 HydrophobicContact CE2-CD2 4.3Å; F65-L112 HydrophobicContact CG-CD1 3.69Å; F65-I267 HydrophobicContact CE1-CD1 4.33Å; F65-I267 HydrophobicContact CE1-CG2 4.25Å; F65-I267 HydrophobicContact CZ-CG2 3.91Å; F65-L270 HydrophobicContact CD1-CD2 4.31Å; F65-L270 HydrophobicContact CD2-CD2 3.87Å; F65-L270 HydrophobicContact CD2-CG 3.85Å; F65-L270 HydrophobicContact CE1-CD2 4.15Å; F65-L270 HydrophobicContact CE2-CB 3.99Å; F65-L270 HydrophobicContact CE2-CD2 3.72Å; F65-L270 HydrophobicContact CE2-CG 3.54Å; F65-L270 HydrophobicContact CG-CD2 4.17Å; F65-L270 HydrophobicContact CZ-CB 4.26Å; F65-L270 HydrophobicContact CZ-CD2 3.86Å; F65-L270 HydrophobicContact CZ-CG 4.07Å; F65-A271 HydrophobicContact CE2-CB 4Å; F65-M274 HydrophobicContact CB-SD 4.38Å; F65-M274 HydrophobicContact CD2-SD 4.13Å |
| 66 | E | 95.3 | Very high | 91.9 | Very high | 14 Ų | 14 | 15 Ų | 15 | 7% | 0.065 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58 | -47.5 | -179.5 | -172.5 | -157.6 | -156 | 0 | 0 | 111.7 | N62 Y63 L68 A69 R70 I78 F80 K301 | N62-E66 WeakPolarHBondContact O-CB 3.45Å; N62-E66 PolarHBondContact O-N 3.13Å; Y63-E66 WeakPolarHBondContact CD1-OE2 3.42Å; Y63-E66 PolarHBondContact O-N 3.45Å; E66-L68 PolarHBondContact O-N 2.9Å; E66-A69 PolarHBondContact O-N 3.48Å; E66-R70 VanDerWaalsContact CD-NE 3.33Å; E66-R70 HydrophobicContact CG-CG 4.21Å; E66-R70 WeakPolarHBondContact O-CB 3.41Å; E66-R70 WeakPolarHBondContact O-CG 3.35Å; E66-R70 PolarHBondContact O-N 2.89Å; E66-R70 IonicContact OE1-CZ 3.45Å; E66-R70 IonicContact OE1-NE 3.76Å; E66-R70 PolarHBondContact OE1-NE 3.5Å; E66-R70 IonicContact OE1-NH2 2.79Å; E66-R70 PolarHBondContact OE1-NH2 3.43Å; E66-I78 HydrophobicContact CG-CG2 4.43Å; E66-F80 HydrophobicContact CB-CE1 4.09Å; E66-F80 HydrophobicContact CB-CZ 3.83Å; E66-F80 HydrophobicContact CG-CE1 4.39Å; E66-F80 HydrophobicContact CG-CZ 4.27Å; E66-K301 IonicContact OE1-NZ 2.66Å; E66-K301 IonicContact OE2-NZ 3.34Å; E66-K301 PolarHBondContact OE2-NZ 3.05Å |
| 67 | I | 94.3 | Very high | 92.1 | Very high | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.026 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | -177.9 | -67 | 162 | 0 | 0 | 0 | 110.4 | C26 F27 Y63 F65 E71 K301 A304 C305 L308 | C26-I67 HydrophobicContact CB-CG2 3.63Å; F27-I67 HydrophobicContact CE2-CG2 3.81Å; F27-I67 HydrophobicContact CZ-CG2 4.3Å; Y63-I67 WeakPolarHBondContact O-CB 3.47Å; Y63-I67 WeakPolarHBondContact O-CD1 3.18Å; Y63-I67 VanDerWaalsContact O-CG1 3.24Å; Y63-I67 WeakPolarHBondContact O-CG1 3.36Å; Y63-I67 PolarHBondContact O-N 3.25Å; F65-I67 PolarHBondContact O-N 2.93Å; I67-E71 WeakPolarHBondContact O-CB 3.36Å; I67-E71 PolarHBondContact O-N 3.16Å; I67-K301 HydrophobicContact CD1-CG 4.37Å; I67-A304 HydrophobicContact CD1-CB 4.07Å; I67-C305 HydrophobicContact CD1-CB 4.17Å; I67-L308 HydrophobicContact CB-CD1 3.74Å; I67-L308 HydrophobicContact CD1-CD1 4.15Å; I67-L308 HydrophobicContact CG2-CD1 3.48Å; I67-L308 VanDerWaalsContact CG2-CD1 3.48Å |
| 68 | L | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | I | π-helix | trans | -66 | -44 | 174 | -72 | 169 | 0 | 0 | 0 | 111.8 | F27 L64 F65 E66 R72 L73 L270 L308 W315 W318 T319 | F27-L68 HydrophobicContact CE2-CD2 4.05Å; F27-L68 HydrophobicContact CZ-CD2 3.59Å; F27-L68 HydrophobicContact CZ-CG 4.42Å; L64-L68 WeakPolarHBondContact O-CG 3.44Å; L64-L68 PolarHBondContact O-N 3.34Å; F65-L68 PolarHBondContact O-N 2.91Å; E66-L68 PolarHBondContact O-N 2.9Å; L68-R72 HydrophobicContact CD2-CB 4.18Å; L68-R72 HydrophobicContact CD2-CG 4.37Å; L68-R72 CarbonylContact O-C 3.57Å; L68-R72 WeakPolarHBondContact O-CA 3.23Å; L68-R72 VanDerWaalsContact O-CB 3.26Å; L68-R72 WeakPolarHBondContact O-CB 3.23Å; L68-R72 PolarHBondContact O-N 3.42Å; L68-R72 VanDerWaalsContact O-N 3.08Å; L68-L73 PolarHBondContact O-N 3.04Å; L68-L270 HydrophobicContact CB-CD1 4.42Å; L68-L270 HydrophobicContact CB-CD2 3.88Å; L68-L270 HydrophobicContact CD1-CD1 3.99Å; L68-L308 HydrophobicContact CD1-CD2 3.93Å; L68-L308 HydrophobicContact CD2-CD2 4.15Å; L68-L308 HydrophobicContact CG-CD1 4.46Å; L68-L308 HydrophobicContact CG-CD2 3.99Å; L68-W315 HydrophobicContact CD1-CB 4.01Å; L68-W315 HydrophobicContact CD2-CB 4.03Å; L68-W315 HydrophobicContact CD2-CD2 4.08Å; L68-W315 HydrophobicContact CD2-CE3 3.86Å; L68-W315 HydrophobicContact CD2-CG 4.17Å; L68-W318 HydrophobicContact CD1-CE3 3.79Å; L68-W318 HydrophobicContact CD1-CZ3 4.12Å; L68-T319 HydrophobicContact CD2-CG2 4.04Å |
| 69 | A | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | I | π-helix | trans | -65.7 | -41 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F65 E66 L73 G74 Y75 I78 I267 L270 | F65-A69 HydrophobicContact CD1-CB 4.16Å; F65-A69 HydrophobicContact CE1-CB 4.08Å; F65-A69 VanDerWaalsContact O-CB 3.24Å; F65-A69 WeakPolarHBondContact O-CB 3.05Å; F65-A69 PolarHBondContact O-N 3.34Å; E66-A69 PolarHBondContact O-N 3.48Å; A69-L73 CarbonylContact O-C 3.52Å; A69-L73 WeakPolarHBondContact O-CB 3.44Å; A69-G74 PolarHBondContact O-N 3.45Å; A69-G74 VanDerWaalsContact O-N 3.16Å; A69-Y75 PolarHBondContact O-N 2.89Å; A69-I78 HydrophobicContact CB-CD1 3.36Å; A69-I267 HydrophobicContact CB-CD1 3.69Å; A69-L270 HydrophobicContact CB-CD2 4.43Å |
| 70 | R | 92.7 | Very high | 92.9 | Very high | 81 Ų | 81 | 23.7 Ų | 23.7 | 31% | 0.306 | 11% | 0.11 | S | C | . | . | I | π-helix | trans | -73.6 | -63.2 | 176.8 | -67.8 | -172.9 | -168.5 | -83.9 | 0.7 | 112.3 | E66 G74 Y75 T76 I78 | E66-R70 VanDerWaalsContact CD-NE 3.33Å; E66-R70 HydrophobicContact CG-CG 4.21Å; E66-R70 WeakPolarHBondContact O-CB 3.41Å; E66-R70 WeakPolarHBondContact O-CG 3.35Å; E66-R70 PolarHBondContact O-N 2.89Å; E66-R70 IonicContact OE1-CZ 3.45Å; E66-R70 IonicContact OE1-NE 3.76Å; E66-R70 PolarHBondContact OE1-NE 3.5Å; E66-R70 IonicContact OE1-NH2 2.79Å; E66-R70 PolarHBondContact OE1-NH2 3.43Å; R70-G74 WeakPolarHBondContact O-CA 3.39Å; R70-G74 PolarHBondContact O-N 2.87Å; R70-G74 VanDerWaalsContact O-N 3.1Å; R70-Y75 WeakPolarHBondContact CA-O 3.3Å; R70-T76 PolarHBondContact NH1-O 3.17Å; R70-I78 HydrophobicContact CG-CD1 3.89Å; R70-I78 HydrophobicContact CG-CG1 4.45Å; R70-I78 PolarHBondContact NH2-O 3.23Å |
| 71 | E | 90.8 | Very high | 93 | Very high | 36 Ų | 36 | 25 Ų | 25 | 17% | 0.168 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -81.5 | -37.8 | -168.2 | -67.2 | -173.2 | -120.5 | 0 | 0 | 113.3 | G25 C26 F27 K32 L33 I67 | G25-E71 WeakPolarHBondContact CA-OE1 3.42Å; G25-E71 WeakPolarHBondContact CA-OE2 3.21Å; C26-E71 VanDerWaalsContact N-CD 3.3Å; C26-E71 PolarHBondContact N-OE1 3.3Å; C26-E71 PolarHBondContact N-OE2 2.75Å; F27-E71 HydrophobicContact CD2-CB 3.71Å; F27-E71 HydrophobicContact CE2-CB 4.24Å; F27-E71 PolarHBondContact N-OE2 3.11Å; K32-E71 WeakPolarHBondContact CA-O 3.49Å; K32-E71 HydrophobicContact CD-CB 4.42Å; K32-E71 WeakPolarHBondContact CE-OE2 3.31Å; K32-E71 HydrophobicContact CG-CB 4.44Å; K32-E71 IonicContact NZ-OE2 2.78Å; K32-E71 PolarHBondContact NZ-OE2 2.92Å; L33-E71 PolarHBondContact N-O 3.4Å; I67-E71 WeakPolarHBondContact O-CB 3.36Å; I67-E71 PolarHBondContact O-N 3.16Å |
| 72 | R | 91.2 | Very high | 93 | Very high | 20 Ų | 20 | 28.9 Ų | 28.9 | 8% | 0.075 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -92.7 | -32.2 | -175.1 | -177 | 61.5 | 171.7 | -179.1 | 4.1 | 112.7 | F27 E31 L68 W315 T319 W322 | F27-R72 HydrophobicContact CD2-CB 4.48Å; F27-R72 HydrophobicContact CE2-CB 4.18Å; E31-R72 WeakPolarHBondContact O-CD 3.42Å; E31-R72 PolarHBondContact O-NH1 3.46Å; L68-R72 HydrophobicContact CD2-CB 4.18Å; L68-R72 HydrophobicContact CD2-CG 4.37Å; L68-R72 CarbonylContact O-C 3.57Å; L68-R72 WeakPolarHBondContact O-CA 3.23Å; L68-R72 VanDerWaalsContact O-CB 3.26Å; L68-R72 WeakPolarHBondContact O-CB 3.23Å; L68-R72 PolarHBondContact O-N 3.42Å; L68-R72 VanDerWaalsContact O-N 3.08Å; R72-W315 HydrophobicContact CG-CZ3 4.4Å; R72-T319 HydrophobicContact CG-CG2 3.79Å; R72-T319 PolarHBondContact NE-OG1 3.05Å; R72-W322 VanDerWaalsContact CZ-CD2 3.42Å; R72-W322 VanDerWaalsContact NH1-CZ2 3.34Å; R72-W322 VanDerWaalsContact NH2-NE1 3.12Å; R72-W322 VanDerWaalsContact O-CE3 3.3Å |
| 73 | L | 90.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -8.2 | 178.8 | -55.9 | -179.4 | 0 | 0 | 0 | 114.5 | L33 R37 L68 A69 Y75 Q266 I267 L270 T319 W322 | L33-L73 WeakPolarHBondContact CD2-O 3.48Å; R37-L73 WeakPolarHBondContact CD-O 3.5Å; R37-L73 VanDerWaalsContact CG-O 3.3Å; R37-L73 WeakPolarHBondContact CG-O 3.41Å; R37-L73 PolarHBondContact NE-O 2.79Å; L68-L73 PolarHBondContact O-N 3.04Å; A69-L73 CarbonylContact O-C 3.52Å; A69-L73 WeakPolarHBondContact O-CB 3.44Å; L73-Y75 HydrophobicContact CB-CD2 3.8Å; L73-Y75 HydrophobicContact CB-CE2 4.08Å; L73-Q266 HydrophobicContact CD1-CB 4.2Å; L73-Q266 HydrophobicContact CD2-CB 4.39Å; L73-I267 HydrophobicContact CD1-CD1 4.26Å; L73-L270 HydrophobicContact CD1-CB 4.12Å; L73-L270 HydrophobicContact CD1-CD2 3.82Å; L73-T319 HydrophobicContact CD2-CG2 4.23Å; L73-W322 HydrophobicContact CD2-CB 3.68Å |
| 74 | G | 89.7 | Confident | 91.8 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | trans | 79.9 | 8.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | N36 R37 A69 R70 T76 | N36-G74 WeakPolarHBondContact CA-O 3.41Å; R37-G74 PolarHBondContact N-O 3.36Å; A69-G74 PolarHBondContact O-N 3.45Å; A69-G74 VanDerWaalsContact O-N 3.16Å; R70-G74 WeakPolarHBondContact O-CA 3.39Å; R70-G74 PolarHBondContact O-N 2.87Å; R70-G74 VanDerWaalsContact O-N 3.1Å; G74-T76 PolarHBondContact O-N 3.47Å | ||
| 75 | Y | 90.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -81.6 | 103.5 | -179.9 | -71.3 | -90 | 0 | 0 | 0 | 111.1 | R37 F39 A69 R70 L73 A264 Q266 I267 | R37-Y75 HydrophobicContact CB-CD1 4.09Å; R37-Y75 HydrophobicContact CB-CD2 4.16Å; R37-Y75 HydrophobicContact CB-CE1 3.88Å; R37-Y75 HydrophobicContact CB-CE2 3.97Å; R37-Y75 HydrophobicContact CB-CG 4.23Å; R37-Y75 HydrophobicContact CG-CE2 4.41Å; F39-Y75 HydrophobicContact CB-CD1 4.19Å; F39-Y75 HydrophobicContact CB-CE1 4.28Å; A69-Y75 PolarHBondContact O-N 2.89Å; R70-Y75 WeakPolarHBondContact CA-O 3.3Å; L73-Y75 HydrophobicContact CB-CD2 3.8Å; L73-Y75 HydrophobicContact CB-CE2 4.08Å; Y75-A264 HydrophobicContact CE1-CB 3.94Å; Y75-Q266 HydrophobicContact CE2-CB 4.16Å; Y75-Q266 PolarHBondContact OH-OE1 3.41Å; Y75-I267 HydrophobicContact CD1-CG1 4.24Å; Y75-I267 HydrophobicContact CD2-CD1 3.54Å; Y75-I267 HydrophobicContact CD2-CG1 3.79Å; Y75-I267 HydrophobicContact CE1-CG1 4.15Å; Y75-I267 HydrophobicContact CE2-CD1 3.88Å; Y75-I267 HydrophobicContact CE2-CG1 3.67Å; Y75-I267 HydrophobicContact CG-CD1 3.91Å; Y75-I267 HydrophobicContact CG-CG1 4.06Å |
| 76 | T | 87.3 | Confident | 89.3 | Confident | 71 Ų | 71 | 45.6 Ų | 45.6 | 44% | 0.436 | 23% | 0.23 | S | C | . | . | trans | -84.4 | -18.8 | -173.3 | 56.9 | 0 | 0 | 0 | 0 | 114.9 | N36 R70 G74 | N36-T76 HydrophobicContact CB-CG2 4.28Å; N36-T76 WeakPolarHBondContact OD1-CG2 3.34Å; R70-T76 PolarHBondContact NH1-O 3.17Å; G74-T76 PolarHBondContact O-N 3.47Å | ||
| 77 | K | 90.3 | Very high | 88.6 | Confident | 112 Ų | 112 | 48.1 Ų | 48.1 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | trans | -102.3 | 89.1 | -179.7 | -65.7 | -172.4 | 178.8 | -177.6 | 0 | 111.5 | V45 T47 L48 | V45-K77 HydrophobicContact CG1-CD 4.4Å; T47-K77 HydrophobicContact CG2-CB 4.35Å; L48-K77 PolarHBondContact N-O 2.87Å | ||
| 78 | I | 93.5 | Very high | 88.1 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 7% | 0.072 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137.3 | 177 | -48.2 | -174.4 | 0 | 0 | 0 | 109.2 | L48 L50 E66 A69 R70 | L48-I78 HydrophobicContact CB-CG1 4.4Å; L48-I78 HydrophobicContact CD2-CD1 4.49Å; L48-I78 WeakPolarHBondContact O-CA 3.39Å; L50-I78 HydrophobicContact CD1-CG2 3.36Å; E66-I78 HydrophobicContact CG-CG2 4.43Å; A69-I78 HydrophobicContact CB-CD1 3.36Å; R70-I78 HydrophobicContact CG-CD1 3.89Å; R70-I78 HydrophobicContact CG-CG1 4.45Å; R70-I78 PolarHBondContact NH2-O 3.23Å |
| 79 | E | 94.7 | Very high | 87.7 | Confident | 69 Ų | 69 | 52.2 Ų | 52.2 | 32% | 0.322 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 138.8 | -174.7 | 176.4 | -179.2 | -163.6 | 0 | 0 | 109.4 | T47 L48 R49 L50 | T47-E79 HydrophobicContact CG2-CB 3.49Å; T47-E79 VanDerWaalsContact CG2-CB 3.49Å; L48-E79 PolarHBondContact O-N 2.87Å; R49-E79 WeakPolarHBondContact CA-O 3.32Å; R49-E79 HydrophobicContact CG-CB 4.3Å; R49-E79 HydrophobicContact CG-CG 4.48Å; R49-E79 IonicContact CZ-OE1 3.33Å; R49-E79 IonicContact CZ-OE2 2.99Å; R49-E79 VanDerWaalsContact CZ-OE2 3.31Å; R49-E79 IonicContact NE-OE1 3.1Å; R49-E79 IonicContact NE-OE2 3.87Å; R49-E79 PolarHBondContact NE-OE2 3.1Å; R49-E79 IonicContact NH2-OE1 2.9Å; R49-E79 PolarHBondContact NH2-OE1 3.09Å; R49-E79 IonicContact NH2-OE2 3.77Å; R49-E79 PolarHBondContact NH2-OE2 3.25Å; L50-E79 PolarHBondContact N-O 3.41Å |
| 80 | F | 95.2 | Very high | 87.4 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 20% | 0.197 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 133.5 | 174.1 | -69 | -7.7 | 0 | 0 | 0 | 109.2 | L50 V52 W59 N62 Y63 E66 | L50-F80 HydrophobicContact CB-CD1 4.15Å; L50-F80 HydrophobicContact CB-CE1 4.5Å; L50-F80 HydrophobicContact CD1-CD1 4.41Å; L50-F80 HydrophobicContact CD1-CE1 4.4Å; V52-F80 HydrophobicContact CG2-CB 3.74Å; V52-F80 HydrophobicContact CG2-CD1 4.37Å; V52-F80 HydrophobicContact CG2-CD2 4.14Å; V52-F80 HydrophobicContact CG2-CG 3.85Å; W59-F80 HydrophobicContact CE3-CD2 4.17Å; W59-F80 HydrophobicContact CE3-CE2 4.41Å; W59-F80 AromaticContact CZ3-CD2 3.78Å; W59-F80 HydrophobicContact CZ3-CD2 3.78Å; W59-F80 HydrophobicContact CZ3-CE2 4.38Å; N62-F80 HydrophobicContact CB-CE1 4Å; N62-F80 HydrophobicContact CB-CE2 4.15Å; N62-F80 HydrophobicContact CB-CZ 3.75Å; N62-F80 WeakPolarHBondContact O-CZ 3.49Å; Y63-F80 AromaticContact CD1-CE2 3.72Å; Y63-F80 HydrophobicContact CD1-CE2 3.72Å; Y63-F80 AromaticContact CD1-CZ 4Å; Y63-F80 HydrophobicContact CD1-CZ 4Å; Y63-F80 HydrophobicContact CE1-CD2 4.42Å; Y63-F80 AromaticContact CE1-CE2 3.5Å; Y63-F80 HydrophobicContact CE1-CE2 3.5Å; Y63-F80 VanDerWaalsContact CE1-CE2 3.5Å; Y63-F80 HydrophobicContact CE1-CZ 4.18Å; Y63-F80 HydrophobicContact CE2-CE2 4.46Å; Y63-F80 HydrophobicContact CG-CE2 4.28Å; Y63-F80 AromaticContact CZ-CE2 3.9Å; E66-F80 HydrophobicContact CB-CE1 4.09Å; E66-F80 HydrophobicContact CB-CZ 3.83Å; E66-F80 HydrophobicContact CG-CE1 4.39Å; E66-F80 HydrophobicContact CG-CZ 4.27Å |
| 81 | V | 94.1 | Very high | 87.3 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 110.6 | 178.2 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | R49 L50 V52 I83 I108 | R49-V81 HydrophobicContact CB-CG2 4.19Å; R49-V81 HydrophobicContact CG-CG2 4.33Å; L50-V81 PolarHBondContact O-N 3.14Å; V52-V81 PolarHBondContact N-O 3.42Å; V81-I83 HydrophobicContact CG1-CD1 3.98Å; V81-I108 HydrophobicContact CB-CD1 3.56Å; V81-I108 HydrophobicContact CG1-CD1 3.89Å; V81-I108 HydrophobicContact CG2-CD1 3.79Å |
| 82 | L | 92.8 | Very high | 87.3 | Confident | 82 Ų | 82 | 48.1 Ų | 48.1 | 43% | 0.429 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 126.2 | 176.6 | 179.1 | 59.9 | 0 | 0 | 0 | 109.8 | V52 W59 | V52-L82 CarbonylContact O-C 3.59Å; V52-L82 WeakPolarHBondContact O-CA 3.46Å; W59-L82 HydrophobicContact CZ2-CD1 4.28Å |
| 83 | I | 88.5 | Confident | 87.2 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | trans | -119.6 | 136.8 | 173.2 | -52.2 | -65.8 | 0 | 0 | 0 | 109.4 | E51 V52 V81 D85 | E51-I83 HydrophobicContact CG-CB 4.48Å; E51-I83 HydrophobicContact CG-CG1 3.85Å; V52-I83 PolarHBondContact O-N 3.27Å; V81-I83 HydrophobicContact CG1-CD1 3.98Å; I83-D85 HydrophobicContact CG2-CB 4.37Å; I83-D85 VanDerWaalsContact CG2-O 3.29Å; I83-D85 WeakPolarHBondContact CG2-O 3.5Å | ||
| 84 | E | 77.5 | Confident | 87.3 | Confident | 173 Ų | 173 | 56 Ų | 56 | 81% | 0.808 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -86.9 | -34.1 | 178.4 | -59.7 | -178.8 | 153.4 | 0 | 0 | 112.1 | ||
| 85 | D | 70 | Confident | 87.5 | Confident | 72 Ų | 72 | 55.8 Ų | 55.8 | 39% | 0.385 | 29% | 0.29 | S | S | . | . | trans | -83.8 | 119.7 | 176.4 | 170 | 34.5 | 0 | 0 | 0 | 113.1 | I83 N87 S90 | I83-D85 HydrophobicContact CG2-CB 4.37Å; I83-D85 VanDerWaalsContact CG2-O 3.29Å; I83-D85 WeakPolarHBondContact CG2-O 3.5Å; D85-N87 WeakPolarHBondContact OD1-CB 3.5Å; D85-N87 PolarHBondContact OD1-N 2.78Å; D85-S90 WeakPolarHBondContact OD2-CB 3.29Å; D85-S90 PolarHBondContact OD2-OG 2.72Å | ||
| 86 | S | 66.5 | Low | 87.5 | Confident | 96 Ų | 96 | 58 Ų | 58 | 67% | 0.671 | 30% | 0.301 | S | S | * | . | trans | -94.6 | 16.1 | 176.2 | 64.3 | 0 | 0 | 0 | 0 | 114.8 | I88 | S86-I88 PolarHBondContact O-N 2.68Š| ||
| 87 | N | 81.5 | Confident | 87.5 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 35% | 0.353 | 29% | 0.29 | S | S | . | . | trans | -64.5 | 125.4 | 178.6 | -175.4 | -29.7 | 0 | 0 | 0 | 112 | D85 S89 S90 S91 | D85-N87 WeakPolarHBondContact OD1-CB 3.5Å; D85-N87 PolarHBondContact OD1-N 2.78Å; N87-S89 PolarHBondContact O-N 2.78Å; N87-S89 VanDerWaalsContact O-N 3.16Å; N87-S89 WeakPolarHBondContact OD1-CB 3.41Å; N87-S89 PolarHBondContact OD1-N 3.01Å; N87-S90 PolarHBondContact O-N 3.46Å; N87-S90 PolarHBondContact O-OG 3.17Å; N87-S90 VanDerWaalsContact O-OG 3.05Å; N87-S91 PolarHBondContact O-N 2.98Å; N87-S91 PolarHBondContact O-OG 3.3Å | ||
| 88 | I | 84.6 | Confident | 87.1 | Confident | 28 Ų | 28 | 55 Ų | 55 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -52.1 | -40.9 | 179.8 | -62.2 | 166.3 | 0 | 0 | 0 | 112.1 | S86 L92 L114 W115 L116 W125 | S86-I88 PolarHBondContact O-N 2.68Å; I88-L92 HydrophobicContact CG2-CD1 3.77Å; I88-L92 HydrophobicContact CG2-CG 4.46Å; I88-L92 WeakPolarHBondContact O-CB 3.38Å; I88-L92 WeakPolarHBondContact O-CG 3.42Å; I88-L92 PolarHBondContact O-N 3.06Å; I88-L114 HydrophobicContact CG1-CD1 4.46Å; I88-W115 WeakPolarHBondContact CD1-O 3.38Å; I88-W115 WeakPolarHBondContact CG1-O 3.49Å; I88-L116 HydrophobicContact CB-CD2 4.31Å; I88-L116 HydrophobicContact CD1-CD2 3.78Å; I88-L116 HydrophobicContact CG1-CD2 3.89Å; I88-L116 HydrophobicContact CG2-CD2 3.46Å; I88-L116 VanDerWaalsContact CG2-CD2 3.46Å; I88-W125 HydrophobicContact CD1-CH2 4.43Å; I88-W125 HydrophobicContact CD1-CZ2 4.42Å; I88-W125 HydrophobicContact CG2-CD2 3.73Å; I88-W125 HydrophobicContact CG2-CE3 3.86Å; I88-W125 HydrophobicContact CG2-CG 4.34Å; I88-W125 HydrophobicContact CG2-CH2 4.01Å; I88-W125 HydrophobicContact CG2-CZ2 3.88Å; I88-W125 HydrophobicContact CG2-CZ3 3.99Å |
| 89 | S | 85.5 | Confident | 86.5 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.8 | -37.5 | -178.3 | -168.6 | 0 | 0 | 0 | 0 | 112.1 | N87 K93 | N87-S89 PolarHBondContact O-N 2.78Å; N87-S89 VanDerWaalsContact O-N 3.16Å; N87-S89 WeakPolarHBondContact OD1-CB 3.41Å; N87-S89 PolarHBondContact OD1-N 3.01Å; S89-K93 VanDerWaalsContact O-CB 3.24Å; S89-K93 WeakPolarHBondContact O-CB 3.45Å; S89-K93 PolarHBondContact O-N 2.74Å; S89-K93 VanDerWaalsContact O-N 3.11Å |
| 90 | S | 87.9 | Confident | 85.5 | Confident | 26 Ų | 26 | 60.8 Ų | 60.8 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.3 | -44.8 | 178.1 | 78.5 | 0 | 0 | 0 | 0 | 110.9 | D85 N87 L92 K93 R94 | D85-S90 WeakPolarHBondContact OD2-CB 3.29Å; D85-S90 PolarHBondContact OD2-OG 2.72Å; N87-S90 PolarHBondContact O-N 3.46Å; N87-S90 PolarHBondContact O-OG 3.17Å; N87-S90 VanDerWaalsContact O-OG 3.05Å; S90-L92 PolarHBondContact O-N 3.36Å; S90-K93 WeakPolarHBondContact O-CB 3.23Å; S90-K93 PolarHBondContact O-N 2.71Å; S90-K93 VanDerWaalsContact O-N 3.13Å; S90-R94 WeakPolarHBondContact O-CG 3.2Å; S90-R94 PolarHBondContact O-N 3.1Å; S90-R94 PolarHBondContact OG-NH1 3.11Å |
| 91 | S | 89.7 | Confident | 84.3 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.8 | -51.5 | 173 | -68.3 | 0 | 0 | 0 | 0 | 112.4 | E51 N87 K93 R94 L95 | E51-S91 WeakPolarHBondContact OE1-CB 3.5Å; E51-S91 PolarHBondContact OE1-OG 3.03Å; N87-S91 PolarHBondContact O-N 2.98Å; N87-S91 PolarHBondContact O-OG 3.3Å; S91-K93 PolarHBondContact O-N 3.3Å; S91-R94 VanDerWaalsContact CA-NH2 3.26Å; S91-R94 PolarHBondContact O-N 2.87Å; S91-R94 PolarHBondContact OG-NH2 3.37Å; S91-L95 PolarHBondContact O-N 3.37Å |
| 92 | L | 91.1 | Very high | 83.4 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.3 | -17.4 | -180 | -68.4 | 175.7 | 0 | 0 | 0 | 113.2 | I88 S90 L95 Q96 L114 V122 W125 V131 V255 | I88-L92 HydrophobicContact CG2-CD1 3.77Å; I88-L92 HydrophobicContact CG2-CG 4.46Å; I88-L92 WeakPolarHBondContact O-CB 3.38Å; I88-L92 WeakPolarHBondContact O-CG 3.42Å; I88-L92 PolarHBondContact O-N 3.06Å; S90-L92 PolarHBondContact O-N 3.36Å; L92-L95 HydrophobicContact CD2-CD1 4.24Å; L92-Q96 WeakPolarHBondContact O-CG 3.4Å; L92-Q96 PolarHBondContact O-NE2 3.42Å; L92-L114 HydrophobicContact CD1-CD2 4.08Å; L92-L114 HydrophobicContact CD2-CD2 3.59Å; L92-L114 HydrophobicContact CG-CD2 3.73Å; L92-V122 HydrophobicContact CD1-CG1 4.15Å; L92-V122 HydrophobicContact CD2-CG1 3.9Å; L92-W125 HydrophobicContact CB-CB 4.3Å; L92-W125 HydrophobicContact CD1-CB 3.63Å; L92-W125 HydrophobicContact CD1-CD2 4.09Å; L92-W125 HydrophobicContact CD1-CE3 3.85Å; L92-W125 HydrophobicContact CD1-CG 4.05Å; L92-V131 HydrophobicContact CD2-CG1 4.13Å; L92-V255 HydrophobicContact CD2-CB 4.37Å; L92-V255 HydrophobicContact CD2-CG1 4.22Å; L92-V255 HydrophobicContact CD2-CG2 4.15Å |
| 93 | K | 90.4 | Very high | 82.6 | Confident | 157 Ų | 157 | 65.3 Ų | 65.3 | 68% | 0.683 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -80.3 | -38.5 | 171.4 | -171 | 176.7 | -178.3 | -178.7 | 0 | 112.3 | S89 S90 S91 L95 Q96 | S89-K93 VanDerWaalsContact O-CB 3.24Å; S89-K93 WeakPolarHBondContact O-CB 3.45Å; S89-K93 PolarHBondContact O-N 2.74Å; S89-K93 VanDerWaalsContact O-N 3.11Å; S90-K93 WeakPolarHBondContact O-CB 3.23Å; S90-K93 PolarHBondContact O-N 2.71Å; S90-K93 VanDerWaalsContact O-N 3.13Å; S91-K93 PolarHBondContact O-N 3.3Å; K93-L95 PolarHBondContact O-N 3.25Å; K93-Q96 PolarHBondContact O-N 2.84Å; K93-Q96 VanDerWaalsContact O-N 3.1Å |
| 94 | R | 92.6 | Very high | 82.2 | Confident | 32 Ų | 32 | 71.3 Ų | 71.3 | 12% | 0.121 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.2 | -25.9 | 177.5 | -72.5 | -174.1 | -66.4 | -92.4 | 2.8 | 113.8 | E51 S90 S91 P106 E107 I108 | E51-R94 IonicContact OE1-CZ 2.84Å; E51-R94 IonicContact OE1-NH2 2.76Å; E51-R94 PolarHBondContact OE1-NH2 3.03Å; E51-R94 IonicContact OE2-CZ 2.69Å; E51-R94 IonicContact OE2-NE 3.75Å; E51-R94 PolarHBondContact OE2-NE 3.06Å; E51-R94 IonicContact OE2-NH2 2.79Å; E51-R94 PolarHBondContact OE2-NH2 3.45Å; E51-R94 VanDerWaalsContact OE2-NH2 3.1Å; S90-R94 WeakPolarHBondContact O-CG 3.2Å; S90-R94 PolarHBondContact O-N 3.1Å; S90-R94 PolarHBondContact OG-NH1 3.11Å; S91-R94 VanDerWaalsContact CA-NH2 3.26Å; S91-R94 PolarHBondContact O-N 2.87Å; S91-R94 PolarHBondContact OG-NH2 3.37Å; R94-P106 WeakPolarHBondContact O-CB 3.47Å; R94-E107 PolarHBondContact O-N 3.13Å; R94-E107 VanDerWaalsContact O-N 3.14Å; R94-I108 HydrophobicContact CB-CB 4.23Å; R94-I108 HydrophobicContact CB-CG1 3.83Å; R94-I108 PolarHBondContact O-N 2.92Å; R94-I108 VanDerWaalsContact O-N 3.16Å |
| 95 | L | 92.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -6.3 | 175.9 | -73.9 | 156.9 | 0 | 0 | 0 | 114.6 | S91 L92 K93 I108 N111 V131 V255 | S91-L95 PolarHBondContact O-N 3.37Å; L92-L95 HydrophobicContact CD2-CD1 4.24Å; K93-L95 PolarHBondContact O-N 3.25Å; L95-I108 HydrophobicContact CD2-CB 4.33Å; L95-I108 HydrophobicContact CD2-CG2 3.76Å; L95-I108 HydrophobicContact CG-CB 4.44Å; L95-I108 HydrophobicContact CG-CG2 4.16Å; L95-N111 HydrophobicContact CD1-CB 4.46Å; L95-V131 HydrophobicContact CB-CG1 4.48Å; L95-V131 HydrophobicContact CB-CG2 3.84Å; L95-V131 HydrophobicContact CD1-CG1 4.33Å; L95-V255 HydrophobicContact CD1-CB 4.11Å; L95-V255 HydrophobicContact CD1-CG2 3.53Å |
| 96 | Q | 90.9 | Very high | 83.5 | Confident | 55 Ų | 55 | 62.1 Ų | 62.1 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -101.5 | 142.4 | -175.8 | -66.3 | -177.5 | 72.9 | 0 | 0 | 112 | L92 K93 S130 V131 | L92-Q96 WeakPolarHBondContact O-CG 3.4Å; L92-Q96 PolarHBondContact O-NE2 3.42Å; K93-Q96 PolarHBondContact O-N 2.84Å; K93-Q96 VanDerWaalsContact O-N 3.1Å; Q96-S130 PolarHBondContact OE1-OG 2.78Å; Q96-V131 HydrophobicContact CG-CG2 3.59Å |
| 97 | C | 87.5 | Confident | 84.6 | Confident | 30 Ų | 30 | 62.4 Ų | 62.4 | 20% | 0.203 | 33% | 0.327 | C | S | . | . | trans | -66 | 136.4 | 174.2 | -53.5 | 0 | 0 | 0 | 0 | 110.5 | N99 C102 W257 | C97-N99 WeakPolarHBondContact CB-O 3.11Å; C97-N99 PolarHBondContact O-N 3.26Å; C97-N99 VanDerWaalsContact O-N 3.09Å; C97-C102 HydrophobicContact CB-CB 3.64Å; C97-C102 WeakPolarHBondContact CB-SG 3.17Å; C97-C102 WeakPolarHBondContact SG-CB 3.37Å; C97-C102 CovalentContact SG-SG 2.03Å; C97-C102 PolarHBondContact SG-SG 3.48Å; C97-W257 PolarHBondContact SG-NE1 3.37Å | ||
| 98 | P | 82.9 | Confident | 85.1 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 58% | 0.584 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -62.4 | -13.9 | 175.2 | -27.4 | 37 | 0 | 0 | 0 | 115.5 | K104 | P98-K104 WeakPolarHBondContact CD-O 3.33Å; P98-K104 HydrophobicContact CG-CB 4.44Å; P98-K104 HydrophobicContact CG-CD 4.2Å; P98-K104 HydrophobicContact CG-CG 4.29Å |
| 99 | N | 80.7 | Confident | 85.6 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 32% | 0.321 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -140.7 | 159.1 | 171.9 | 77.4 | -21.5 | 0 | 0 | 0 | 112.6 | C97 Q101 C102 L103 | C97-N99 WeakPolarHBondContact CB-O 3.11Å; C97-N99 PolarHBondContact O-N 3.26Å; C97-N99 VanDerWaalsContact O-N 3.09Å; N99-Q101 PolarHBondContact O-N 2.92Å; N99-C102 PolarHBondContact O-N 3.48Å; N99-C102 VanDerWaalsContact OD1-CA 3.28Å; N99-C102 WeakPolarHBondContact OD1-CA 3.27Å; N99-C102 PolarHBondContact OD1-N 2.88Å; N99-C102 VanDerWaalsContact OD1-N 3.09Å; N99-L103 PolarHBondContact OD1-N 3.27Å |
| 100 | T | 72.7 | Confident | 86.1 | Confident | 143 Ų | 143 | 55.2 Ų | 55.2 | 88% | 0.877 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -38.8 | -174.1 | 47.9 | 0 | 0 | 0 | 0 | 114.1 | C102 | T100-C102 VanDerWaalsContact C-N 3.28Å; T100-C102 PolarHBondContact O-N 3.39Å |
| 101 | Q | 71 | Confident | 86.3 | Confident | 127 Ų | 127 | 54.1 Ų | 54.1 | 59% | 0.593 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -22.4 | 176.3 | -69.6 | 178.7 | -10.8 | 0 | 0 | 112.9 | N99 L103 K259 | N99-Q101 PolarHBondContact O-N 2.92Å; Q101-L103 HydrophobicContact CB-CD2 4.46Å; Q101-L103 HydrophobicContact CB-CG 4.08Å; Q101-K259 PolarHBondContact O-NZ 2.84Å; Q101-K259 VanDerWaalsContact O-NZ 3.17Å |
| 102 | C | 75.2 | Confident | 86.5 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | trans | 61.8 | 50.2 | -168.3 | -150.6 | 0 | 0 | 0 | 0 | 113.3 | F41 N42 C97 N99 T100 K104 | F41-C102 HydrophobicContact CE1-CB 4.25Å; N42-C102 PolarHBondContact ND2-O 2.84Å; C97-C102 HydrophobicContact CB-CB 3.64Å; C97-C102 WeakPolarHBondContact CB-SG 3.17Å; C97-C102 WeakPolarHBondContact SG-CB 3.37Å; C97-C102 CovalentContact SG-SG 2.03Å; C97-C102 PolarHBondContact SG-SG 3.48Å; N99-C102 PolarHBondContact O-N 3.48Å; N99-C102 VanDerWaalsContact OD1-CA 3.28Å; N99-C102 WeakPolarHBondContact OD1-CA 3.27Å; N99-C102 PolarHBondContact OD1-N 2.88Å; N99-C102 VanDerWaalsContact OD1-N 3.09Å; T100-C102 VanDerWaalsContact C-N 3.28Å; T100-C102 PolarHBondContact O-N 3.39Å; C102-K104 VanDerWaalsContact C-N 3.34Å; C102-K104 PolarHBondContact SG-O 2.81Å | ||
| 103 | L | 75.5 | Confident | 86.5 | Confident | 121 Ų | 121 | 54.3 Ų | 54.3 | 63% | 0.634 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -72.3 | -32.3 | 170.3 | -62.4 | 178 | 0 | 0 | 0 | 111.4 | N99 Q101 | N99-L103 PolarHBondContact OD1-N 3.27Å; Q101-L103 HydrophobicContact CB-CD2 4.46Å; Q101-L103 HydrophobicContact CB-CG 4.08Å |
| 104 | K | 80.4 | Confident | 86.4 | Confident | 151 Ų | 151 | 47 Ų | 47 | 66% | 0.657 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -104.3 | 132.5 | 163.6 | -171.1 | 173.4 | 177.8 | -176.9 | 0 | 108 | P98 C102 | P98-K104 WeakPolarHBondContact CD-O 3.33Å; P98-K104 HydrophobicContact CG-CB 4.44Å; P98-K104 HydrophobicContact CG-CD 4.2Å; P98-K104 HydrophobicContact CG-CG 4.29Å; C102-K104 VanDerWaalsContact C-N 3.34Å; C102-K104 PolarHBondContact SG-O 2.81Å |
| 105 | L | 83.7 | Confident | 86 | Confident | 45 Ų | 45 | 47.9 Ų | 47.9 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | trans | -72.3 | 159.2 | 177.9 | -74.4 | 146.8 | 0 | 0 | 0 | 111.2 | F41 L46 W257 | F41-L105 HydrophobicContact CD1-CD2 3.86Å; L46-L105 HydrophobicContact CD1-CD1 3.47Å; L46-L105 VanDerWaalsContact CD1-CD1 3.47Å; L46-L105 HydrophobicContact CD1-CD2 3.69Å; L46-L105 HydrophobicContact CD1-CG 4.23Å; L46-L105 HydrophobicContact CD2-CD1 3.42Å; L46-L105 VanDerWaalsContact CD2-CD1 3.42Å; L46-L105 HydrophobicContact CG-CD1 4.08Å; L105-W257 HydrophobicContact CD2-CH2 3.48Å; L105-W257 VanDerWaalsContact CD2-CH2 3.48Å; L105-W257 HydrophobicContact CD2-CZ2 3.85Å; L105-W257 HydrophobicContact CD2-CZ3 4.07Å | ||
| 106 | P | 89.9 | Confident | 85.4 | Confident | 7 Ų | 7 | 48 Ų | 48 | 5% | 0.045 | 25% | 0.248 | C | C | . | . | trans | -62 | 162.7 | 166.9 | 31.8 | -38.3 | 0 | 0 | 0 | 111.1 | R94 I108 W257 | R94-P106 WeakPolarHBondContact O-CB 3.47Å; P106-I108 WeakPolarHBondContact CB-O 3.12Å; P106-I108 WeakPolarHBondContact CG-O 3.43Å; P106-W257 HydrophobicContact CG-CB 4.04Å; P106-W257 HydrophobicContact CG-CD2 4Å; P106-W257 HydrophobicContact CG-CG 3.72Å | ||
| 107 | E | 89.9 | Confident | 84.5 | Confident | 103 Ų | 103 | 46.9 Ų | 46.9 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -72.5 | -40.1 | 176.1 | -179.8 | 171.1 | -154.4 | 0 | 0 | 111.3 | R49 R94 | R49-E107 WeakPolarHBondContact CD-O 3.43Å; R94-E107 PolarHBondContact O-N 3.13Å; R94-E107 VanDerWaalsContact O-N 3.14Å |
| 108 | I | 93.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -115.7 | 140.5 | -180 | -60 | -60.6 | 0 | 0 | 0 | 108.7 | E51 V81 R94 L95 P106 L110 | E51-I108 HydrophobicContact CB-CD1 4.11Å; E51-I108 HydrophobicContact CB-CG1 4.27Å; E51-I108 HydrophobicContact CB-CG2 3.8Å; V81-I108 HydrophobicContact CB-CD1 3.56Å; V81-I108 HydrophobicContact CG1-CD1 3.89Å; V81-I108 HydrophobicContact CG2-CD1 3.79Å; R94-I108 HydrophobicContact CB-CB 4.23Å; R94-I108 HydrophobicContact CB-CG1 3.83Å; R94-I108 PolarHBondContact O-N 2.92Å; R94-I108 VanDerWaalsContact O-N 3.16Å; L95-I108 HydrophobicContact CD2-CB 4.33Å; L95-I108 HydrophobicContact CD2-CG2 3.76Å; L95-I108 HydrophobicContact CG-CB 4.44Å; L95-I108 HydrophobicContact CG-CG2 4.16Å; P106-I108 WeakPolarHBondContact CB-O 3.12Å; P106-I108 WeakPolarHBondContact CG-O 3.43Å; I108-L110 VanDerWaalsContact CG2-O 3.28Å; I108-L110 WeakPolarHBondContact CG2-O 3.34Å | ||
| 109 | H | 94.6 | Very high | 83.1 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 3% | 0.032 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -102.3 | -26.2 | 177.1 | -60.8 | 97.2 | 0 | 0 | 0 | 112.5 | F39 T47 L48 R49 T256 W257 | F39-H109 AromaticContact CE1-CD2 3.91Å; F39-H109 AromaticContact CE1-CE1 3.96Å; F39-H109 AromaticContact CE1-NE2 3.81Å; F39-H109 AromaticContact CZ-CD2 3.57Å; F39-H109 AromaticContact CZ-NE2 3.79Å; T47-H109 PolarHBondContact O-CE1 2.82Å; L48-H109 HydrophobicContact CD1-CB 3.9Å; R49-H109 PolarHBondContact N-ND1 3.11Å; R49-H109 PolarHBondContact O-N 3.25Å; H109-T256 WeakPolarHBondContact O-CA 2.89Å; H109-W257 AromaticContact CD2-CE3 3.85Å; H109-W257 PolarHBondContact O-N 3.02Å |
| 110 | L | 95.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 136.2 | -176.5 | 166.9 | 61.9 | 0 | 0 | 0 | 110.6 | R49 L50 E51 F65 I108 L112 V255 T256 A271 | R49-L110 PolarHBondContact O-N 3.25Å; L50-L110 VanDerWaalsContact CA-O 3.29Å; L50-L110 WeakPolarHBondContact CA-O 3.44Å; L50-L110 HydrophobicContact CD2-CD2 3.68Å; L50-L110 HydrophobicContact CD2-CG 4.26Å; L50-L110 HydrophobicContact CG-CB 4.34Å; L50-L110 HydrophobicContact CG-CD2 4.04Å; L50-L110 HydrophobicContact CG-CG 4.31Å; E51-L110 PolarHBondContact N-O 3.29Å; F65-L110 HydrophobicContact CD1-CD2 4.21Å; F65-L110 HydrophobicContact CD2-CD2 4.23Å; F65-L110 HydrophobicContact CE1-CD2 3.71Å; F65-L110 HydrophobicContact CE2-CD2 3.71Å; F65-L110 HydrophobicContact CG-CD2 4.46Å; F65-L110 HydrophobicContact CZ-CD2 3.44Å; F65-L110 VanDerWaalsContact CZ-CD2 3.44Å; I108-L110 VanDerWaalsContact CG2-O 3.28Å; I108-L110 WeakPolarHBondContact CG2-O 3.34Å; L110-L112 HydrophobicContact CD1-CD2 3.78Å; L110-L112 HydrophobicContact CD1-CG 3.91Å; L110-L112 HydrophobicContact CD2-CD1 4.27Å; L110-L112 HydrophobicContact CD2-CD2 4.17Å; L110-L112 HydrophobicContact CD2-CG 4.05Å; L110-L112 HydrophobicContact CG-CD2 4.29Å; L110-L112 HydrophobicContact CG-CG 3.99Å; L110-V255 WeakPolarHBondContact CA-O 3.33Å; L110-T256 HydrophobicContact CB-CG2 4.2Å; L110-T256 HydrophobicContact CD1-CG2 3.48Å; L110-T256 VanDerWaalsContact CD1-CG2 3.48Å; L110-T256 HydrophobicContact CG-CG2 4.37Å; L110-A271 HydrophobicContact CD1-CB 4.08Å |
| 111 | N | 94.1 | Very high | 83 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.011 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127 | 160.6 | 176.7 | -27.3 | 0 | 0 | 0 | 107.1 | E51 H58 L95 L113 L114 V255 | E51-N111 HydrophobicContact CB-CB 3.93Å; E51-N111 PolarHBondContact OE1-ND2 3.48Å; H58-N111 PolarHBondContact NE2-OD1 3.08Å; L95-N111 HydrophobicContact CD1-CB 4.46Å; N111-L113 VanDerWaalsContact OD1-C 3.29Å; N111-L113 PolarHBondContact OD1-N 3.02Å; N111-L114 PolarHBondContact OD1-N 2.84Å; N111-V255 HydrophobicContact CB-CG2 4.02Å; N111-V255 PolarHBondContact N-O 3.23Å; N111-V255 PolarHBondContact O-N 3.48Å |
| 112 | L | 93.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -9.1 | -175.5 | -74.2 | 166.4 | 0 | 0 | 0 | 114.2 | L50 V61 F65 L110 K254 | L50-L112 HydrophobicContact CD2-CD1 4.03Å; V61-L112 HydrophobicContact CG1-CB 3.66Å; V61-L112 HydrophobicContact CG1-CD1 4.06Å; V61-L112 HydrophobicContact CG1-CG 4.42Å; F65-L112 HydrophobicContact CB-CD1 3.52Å; F65-L112 HydrophobicContact CD2-CD1 3.68Å; F65-L112 HydrophobicContact CD2-CD2 3.98Å; F65-L112 HydrophobicContact CD2-CG 4.44Å; F65-L112 HydrophobicContact CE2-CD2 4.3Å; F65-L112 HydrophobicContact CG-CD1 3.69Å; L110-L112 HydrophobicContact CD1-CD2 3.78Å; L110-L112 HydrophobicContact CD1-CG 3.91Å; L110-L112 HydrophobicContact CD2-CD1 4.27Å; L110-L112 HydrophobicContact CD2-CD2 4.17Å; L110-L112 HydrophobicContact CD2-CG 4.05Å; L110-L112 HydrophobicContact CG-CD2 4.29Å; L110-L112 HydrophobicContact CG-CG 3.99Å; L112-K254 HydrophobicContact CD2-CB 4.39Å; L112-K254 HydrophobicContact CD2-CD 4.44Å; L112-K254 HydrophobicContact CD2-CG 4.18Å; L112-K254 WeakPolarHBondContact O-CG 3.38Å |
| 113 | L | 89.9 | Confident | 84.2 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 61.6 | -174.4 | -163.2 | 87.1 | 0 | 0 | 0 | 111.5 | E57 H58 N111 W115 L137 A252 | E57-L113 HydrophobicContact CG-CD2 3.52Å; H58-L113 HydrophobicContact CB-CD2 3.8Å; H58-L113 VanDerWaalsContact CD2-CB 3.41Å; H58-L113 WeakPolarHBondContact CD2-CB 3.38Å; N111-L113 VanDerWaalsContact OD1-C 3.29Å; N111-L113 PolarHBondContact OD1-N 3.02Å; L113-W115 HydrophobicContact CD1-CZ2 4.33Å; L113-L137 HydrophobicContact CD1-CD2 3.63Å; L113-A252 HydrophobicContact CD1-CB 3.7Å; L113-A252 HydrophobicContact CG-CB 4.25Å |
| 114 | L | 89.6 | Confident | 84.5 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 113.9 | 171 | -178.8 | 63.2 | 0 | 0 | 0 | 109.7 | I88 L92 N111 L116 A252 V253 V255 | I88-L114 HydrophobicContact CG1-CD1 4.46Å; L92-L114 HydrophobicContact CD1-CD2 4.08Å; L92-L114 HydrophobicContact CD2-CD2 3.59Å; L92-L114 HydrophobicContact CG-CD2 3.73Å; N111-L114 PolarHBondContact OD1-N 2.84Å; L114-L116 HydrophobicContact CD2-CD2 4.07Å; L114-L116 HydrophobicContact CG-CD2 4.07Å; L114-L116 HydrophobicContact CG-CG 4.45Å; L114-A252 CarbonylContact O-C 3.51Å; L114-A252 WeakPolarHBondContact O-CA 3.29Å; L114-V253 HydrophobicContact CB-CG2 4.13Å; L114-V253 HydrophobicContact CD2-CG2 4.44Å; L114-V253 HydrophobicContact CG-CG2 4.48Å; L114-V253 PolarHBondContact N-O 3.32Å; L114-V253 PolarHBondContact O-N 3.36Å; L114-V255 HydrophobicContact CB-CG2 4.19Å; L114-V255 HydrophobicContact CD2-CG1 4.42Å; L114-V255 HydrophobicContact CD2-CG2 3.91Å |
| 115 | W | 83.4 | Confident | 84.6 | Confident | 50 Ų | 50 | 41.3 Ų | 41.3 | 19% | 0.189 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 120.2 | 175.9 | -67.8 | 98.8 | 0 | 0 | 0 | 110.9 | I88 L113 R141 Q251 A252 | I88-W115 WeakPolarHBondContact CD1-O 3.38Å; I88-W115 WeakPolarHBondContact CG1-O 3.49Å; L113-W115 HydrophobicContact CD1-CZ2 4.33Å; W115-R141 HydrophobicContact CH2-CB 4.28Å; W115-R141 VanDerWaalsContact CH2-CD 3.46Å; W115-R141 HydrophobicContact CH2-CG 3.75Å; W115-R141 HydrophobicContact CZ3-CB 3.91Å; W115-R141 HydrophobicContact CZ3-CG 3.9Å; W115-Q251 WeakPolarHBondContact CA-O 3.46Å; W115-A252 HydrophobicContact CD2-CB 3.93Å; W115-A252 HydrophobicContact CE3-CB 3.8Å; W115-A252 HydrophobicContact CH2-CB 3.77Å; W115-A252 HydrophobicContact CZ2-CB 3.92Å; W115-A252 HydrophobicContact CZ3-CB 3.72Å |
| 116 | L | 79.4 | Confident | 84.7 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 148.7 | 173.7 | -59 | -178.4 | 0 | 0 | 0 | 110.1 | I88 L114 G120 V122 W125 Y250 Q251 V253 | I88-L116 HydrophobicContact CB-CD2 4.31Å; I88-L116 HydrophobicContact CD1-CD2 3.78Å; I88-L116 HydrophobicContact CG1-CD2 3.89Å; I88-L116 HydrophobicContact CG2-CD2 3.46Å; I88-L116 VanDerWaalsContact CG2-CD2 3.46Å; L114-L116 HydrophobicContact CD2-CD2 4.07Å; L114-L116 HydrophobicContact CG-CD2 4.07Å; L114-L116 HydrophobicContact CG-CG 4.45Å; L116-G120 WeakPolarHBondContact CD1-O 3.4Å; L116-V122 HydrophobicContact CD1-CG2 3.77Å; L116-W125 HydrophobicContact CD2-CH2 4.27Å; L116-W125 HydrophobicContact CD2-CZ3 3.95Å; L116-Y250 CarbonylContact O-C 3.51Å; L116-Y250 WeakPolarHBondContact O-CA 3.36Å; L116-Y250 VanDerWaalsContact O-CB 3.29Å; L116-Y250 WeakPolarHBondContact O-CB 3.38Å; L116-Y250 WeakPolarHBondContact O-CD1 3.43Å; L116-Q251 HydrophobicContact CB-CG 4.36Å; L116-Q251 PolarHBondContact N-O 3.04Å; L116-Q251 PolarHBondContact O-N 3.3Å; L116-V253 HydrophobicContact CD1-CG1 4.24Å; L116-V253 HydrophobicContact CD1-CG2 3.56Å; L116-V253 HydrophobicContact CG-CG2 3.92Å |
| 117 | P | 73.4 | Confident | 84.5 | Confident | 32 Ų | 32 | 46.4 Ų | 46.4 | 21% | 0.208 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 156.8 | 163.4 | -19.8 | 30.3 | 0 | 0 | 0 | 110.7 | D119 G120 Y250 | P117-D119 VanDerWaalsContact C-N 3.31Å; P117-D119 PolarHBondContact O-N 3.4Å; P117-G120 WeakPolarHBondContact O-CA 3.27Å; P117-G120 PolarHBondContact O-N 2.93Å; P117-Y250 HydrophobicContact CB-CE1 4.28Å; P117-Y250 HydrophobicContact CG-CD1 4.29Å; P117-Y250 HydrophobicContact CG-CE1 3.66Å |
| 118 | L | 70.7 | Confident | 84.2 | Confident | 79 Ų | 79 | 44.5 Ų | 44.5 | 41% | 0.414 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -48.6 | 177.5 | -94.3 | 173.3 | 0 | 0 | 0 | 113.4 | G120 I140 S249 Q251 | L118-G120 VanDerWaalsContact C-N 3.25Å; L118-G120 PolarHBondContact O-N 3.33Å; L118-I140 HydrophobicContact CD1-CG2 4.47Å; L118-I140 HydrophobicContact CD2-CD1 3.72Å; L118-I140 HydrophobicContact CD2-CG1 3.83Å; L118-I140 HydrophobicContact CD2-CG2 4.24Å; L118-I140 HydrophobicContact CG-CG2 4.3Å; L118-S249 WeakPolarHBondContact CG-O 3.28Å; L118-S249 PolarHBondContact N-O 2.97Å; L118-Q251 PolarHBondContact O-NE2 3.09Å |
| 119 | D | 69.7 | Low | 83.8 | Confident | 153 Ų | 153 | 49.1 Ų | 49.1 | 82% | 0.818 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -5.7 | 179.4 | -52 | -52.4 | 0 | 0 | 0 | 113.1 | P117 N121 | P117-D119 VanDerWaalsContact C-N 3.31Å; P117-D119 PolarHBondContact O-N 3.4Å; D119-N121 PolarHBondContact O-N 3.39Å |
| 120 | G | 70.1 | Confident | 83.5 | Confident | 10 Ų | 10 | 50 Ų | 50 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | trans | -73.2 | 107.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L116 P117 L118 | L116-G120 WeakPolarHBondContact CD1-O 3.4Å; P117-G120 WeakPolarHBondContact O-CA 3.27Å; P117-G120 PolarHBondContact O-N 2.93Å; L118-G120 VanDerWaalsContact C-N 3.25Å; L118-G120 PolarHBondContact O-N 3.33Å | ||
| 121 | N | 81.1 | Confident | 83.2 | Confident | 49 Ų | 49 | 50.1 Ų | 50.1 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | trans | -101.5 | 133 | 174.8 | -162.7 | -78.6 | 0 | 0 | 0 | 111.2 | D119 K123 F124 W125 | D119-N121 PolarHBondContact O-N 3.39Å; N121-K123 PolarHBondContact O-N 2.96Å; N121-K123 VanDerWaalsContact OD1-CB 3.25Å; N121-K123 WeakPolarHBondContact OD1-CB 3.39Å; N121-K123 WeakPolarHBondContact OD1-CD 3.34Å; N121-K123 VanDerWaalsContact OD1-CG 3.27Å; N121-K123 WeakPolarHBondContact OD1-CG 3.22Å; N121-K123 PolarHBondContact OD1-N 2.81Å; N121-K123 VanDerWaalsContact OD1-N 3.11Å; N121-F124 HydrophobicContact CB-CD2 3.86Å; N121-F124 HydrophobicContact CB-CE2 3.75Å; N121-F124 WeakPolarHBondContact O-CD2 3.31Å; N121-F124 PolarHBondContact O-N 3.38Å; N121-W125 VanDerWaalsContact O-CE3 3.3Å; N121-W125 VanDerWaalsContact O-CZ3 3.23Å; N121-W125 WeakPolarHBondContact O-CZ3 3.36Å | ||
| 122 | V | 85.9 | Confident | 83.1 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -48.3 | -30.5 | 177.4 | 176.3 | 0 | 0 | 0 | 0 | 112.7 | L92 L116 F124 W125 A126 V131 D133 V253 V255 | L92-V122 HydrophobicContact CD1-CG1 4.15Å; L92-V122 HydrophobicContact CD2-CG1 3.9Å; L116-V122 HydrophobicContact CD1-CG2 3.77Å; V122-F124 PolarHBondContact O-N 3.46Å; V122-W125 PolarHBondContact O-N 3.36Å; V122-A126 HydrophobicContact CG1-CB 4.46Å; V122-A126 PolarHBondContact O-N 3.4Å; V122-V131 HydrophobicContact CG1-CG1 4.3Å; V122-D133 HydrophobicContact CB-CB 4.22Å; V122-D133 HydrophobicContact CG2-CB 4.04Å; V122-D133 WeakPolarHBondContact CG2-OD2 3.32Å; V122-V253 HydrophobicContact CG2-CG2 4.3Å; V122-V255 HydrophobicContact CG1-CG1 4.32Å; V122-V255 HydrophobicContact CG2-CG1 3.75Å |
| 123 | K | 85.4 | Confident | 83 | Confident | 74 Ų | 74 | 53.9 Ų | 53.9 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -71 | -5.6 | -177.9 | -59.4 | 170 | -166.6 | 176.6 | 0 | 114.9 | N121 A126 P128 M1460 | N121-K123 PolarHBondContact O-N 2.96Å; N121-K123 VanDerWaalsContact OD1-CB 3.25Å; N121-K123 WeakPolarHBondContact OD1-CB 3.39Å; N121-K123 WeakPolarHBondContact OD1-CD 3.34Å; N121-K123 VanDerWaalsContact OD1-CG 3.27Å; N121-K123 WeakPolarHBondContact OD1-CG 3.22Å; N121-K123 PolarHBondContact OD1-N 2.81Å; N121-K123 VanDerWaalsContact OD1-N 3.11Å; K123-A126 WeakPolarHBondContact CA-O 3.4Å; K123-P128 HydrophobicContact CD-CG 4.11Å; K123-P128 HydrophobicContact CG-CG 4.13Å; K123-M1460 HydrophobicContact CD-CE 3.77Å; K123-M1460 HydrophobicContact CD-SD 3.68Å; K123-M1460 PolarHBondContact NZ-SD 3.3Å |
| 124 | F | 82.1 | Confident | 83.1 | Confident | 147 Ų | 147 | 54.6 Ų | 54.6 | 65% | 0.645 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -77.3 | -28.2 | 166.3 | -64.6 | -60.1 | 0 | 0 | 0 | 112.6 | N121 V122 | N121-F124 HydrophobicContact CB-CD2 3.86Å; N121-F124 HydrophobicContact CB-CE2 3.75Å; N121-F124 WeakPolarHBondContact O-CD2 3.31Å; N121-F124 PolarHBondContact O-N 3.38Å; V122-F124 PolarHBondContact O-N 3.46Å |
| 125 | W | 82.2 | Confident | 82.9 | Confident | 93 Ų | 93 | 55.5 Ų | 55.5 | 35% | 0.352 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -25.4 | -175.8 | -59 | -84.3 | 0 | 0 | 0 | 114.1 | I88 L92 L116 N121 V122 | I88-W125 HydrophobicContact CD1-CH2 4.43Å; I88-W125 HydrophobicContact CD1-CZ2 4.42Å; I88-W125 HydrophobicContact CG2-CD2 3.73Å; I88-W125 HydrophobicContact CG2-CE3 3.86Å; I88-W125 HydrophobicContact CG2-CG 4.34Å; I88-W125 HydrophobicContact CG2-CH2 4.01Å; I88-W125 HydrophobicContact CG2-CZ2 3.88Å; I88-W125 HydrophobicContact CG2-CZ3 3.99Å; L92-W125 HydrophobicContact CB-CB 4.3Å; L92-W125 HydrophobicContact CD1-CB 3.63Å; L92-W125 HydrophobicContact CD1-CD2 4.09Å; L92-W125 HydrophobicContact CD1-CE3 3.85Å; L92-W125 HydrophobicContact CD1-CG 4.05Å; L116-W125 HydrophobicContact CD2-CH2 4.27Å; L116-W125 HydrophobicContact CD2-CZ3 3.95Å; N121-W125 VanDerWaalsContact O-CE3 3.3Å; N121-W125 VanDerWaalsContact O-CZ3 3.23Å; N121-W125 WeakPolarHBondContact O-CZ3 3.36Å; V122-W125 PolarHBondContact O-N 3.36Å |
| 126 | A | 85.5 | Confident | 83 | Confident | 6 Ų | 6 | 56 Ų | 56 | 5% | 0.05 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -140.9 | 145.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V122 K123 V131 | V122-A126 HydrophobicContact CG1-CB 4.46Å; V122-A126 PolarHBondContact O-N 3.4Å; K123-A126 WeakPolarHBondContact CA-O 3.4Å; A126-V131 HydrophobicContact CB-CB 3.82Å; A126-V131 HydrophobicContact CB-CG2 3.68Å |
| 127 | K | 85.4 | Confident | 83.2 | Confident | 154 Ų | 154 | 56 Ų | 56 | 67% | 0.67 | 30% | 0.302 | S | S | * | . | trans | -76.5 | 144.3 | 174.9 | -68 | -177.5 | 178.7 | -179.9 | 0 | 109.9 | S129 S130 V131 | K127-S129 PolarHBondContact O-N 3.27Å; K127-S130 PolarHBondContact N-OG 3.44Å; K127-S130 PolarHBondContact O-N 2.89Å; K127-S130 PolarHBondContact O-OG 2.9Å; K127-S130 VanDerWaalsContact O-OG 3.11Å; K127-V131 PolarHBondContact O-N 2.98Å | ||
| 128 | P | 83.4 | Confident | 83.2 | Confident | 62 Ų | 62 | 55.1 Ų | 55.1 | 40% | 0.403 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -24.3 | 177.1 | -28.2 | 35.7 | 0 | 0 | 0 | 115.1 | K123 V131 | K123-P128 HydrophobicContact CD-CG 4.11Å; K123-P128 HydrophobicContact CG-CG 4.13Å; P128-V131 WeakPolarHBondContact CA-O 3.28Å |
| 129 | S | 84.6 | Confident | 82.7 | Confident | 98 Ų | 98 | 53.9 Ų | 53.9 | 69% | 0.685 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -8 | 175.9 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | K127 A258 | K127-S129 PolarHBondContact O-N 3.27Å; S129-A258 WeakPolarHBondContact O-CB 3.44Å |
| 130 | S | 88.1 | Confident | 82.3 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -41.6 | 172.5 | 66.1 | 0 | 0 | 0 | 0 | 112.5 | Q96 K127 A258 | Q96-S130 PolarHBondContact OE1-OG 2.78Å; K127-S130 PolarHBondContact N-OG 3.44Å; K127-S130 PolarHBondContact O-N 2.89Å; K127-S130 PolarHBondContact O-OG 2.9Å; K127-S130 VanDerWaalsContact O-OG 3.11Å; S130-A258 WeakPolarHBondContact O-CB 3.37Å; S130-A258 PolarHBondContact O-N 2.97Å |
| 131 | V | 90.7 | Very high | 81.8 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.3 | 174.9 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | L92 L95 Q96 V122 A126 K127 P128 V255 T256 | L92-V131 HydrophobicContact CD2-CG1 4.13Å; L95-V131 HydrophobicContact CB-CG1 4.48Å; L95-V131 HydrophobicContact CB-CG2 3.84Å; L95-V131 HydrophobicContact CD1-CG1 4.33Å; Q96-V131 HydrophobicContact CG-CG2 3.59Å; V122-V131 HydrophobicContact CG1-CG1 4.3Å; A126-V131 HydrophobicContact CB-CB 3.82Å; A126-V131 HydrophobicContact CB-CG2 3.68Å; K127-V131 PolarHBondContact O-N 2.98Å; P128-V131 WeakPolarHBondContact CA-O 3.28Å; V131-V255 HydrophobicContact CG1-CB 3.97Å; V131-V255 HydrophobicContact CG1-CG1 4.37Å; V131-T256 CarbonylContact C-O 3.57Å; V131-T256 WeakPolarHBondContact CA-O 3.35Å; V131-T256 WeakPolarHBondContact CG1-O 3.49Å |
| 132 | T | 92.1 | Very high | 80.1 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.8 | 172.1 | -57 | 0 | 0 | 0 | 0 | 110.5 | H134 V255 T256 A258 F268 | T132-H134 PolarHBondContact O-CD2 3Å; T132-V255 WeakPolarHBondContact O-CA 3.27Å; T132-T256 PolarHBondContact N-O 2.8Å; T132-T256 PolarHBondContact O-N 2.62Å; T132-A258 WeakPolarHBondContact OG1-CA 3.32Å; T132-F268 HydrophobicContact CG2-CE2 3.95Å; T132-F268 HydrophobicContact CG2-CZ 3.94Å |
| 133 | D | 91.4 | Very high | 78.1 | Confident | 53 Ų | 53 | 58.8 Ų | 58.8 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 131.1 | 169.7 | -174 | -9.4 | 0 | 0 | 0 | 109.5 | V122 G135 | V122-D133 HydrophobicContact CB-CB 4.22Å; V122-D133 HydrophobicContact CG2-CB 4.04Å; V122-D133 WeakPolarHBondContact CG2-OD2 3.32Å; D133-G135 PolarHBondContact OD1-N 3.34Å |
| 134 | H | 90.5 | Very high | 75.8 | Confident | 23 Ų | 23 | 60.7 Ų | 60.7 | 11% | 0.106 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 12.2 | 178.9 | -67.5 | -100.6 | 0 | 0 | 0 | 112.7 | T132 K254 T256 F268 S272 | T132-H134 PolarHBondContact O-CD2 3Å; H134-K254 HydrophobicContact CB-CB 4.08Å; H134-K254 WeakPolarHBondContact CB-O 3.47Å; H134-K254 PolarHBondContact N-O 2.99Å; H134-K254 PolarHBondContact O-NZ 2.68Å; H134-T256 VanDerWaalsContact NE2-CG2 3.3Å; H134-T256 WeakPolarHBondContact NE2-CG2 3.4Å; H134-T256 PolarHBondContact NE2-OG1 2.84Å; H134-F268 AromaticContact CE1-CD2 3.64Å; H134-F268 AromaticContact CE1-CE1 3.85Å; H134-F268 AromaticContact CE1-CE2 3.34Å; H134-F268 WeakPolarHBondContact CE1-CE2 3.29Å; H134-F268 AromaticContact CE1-CZ 3.43Å; H134-F268 VanDerWaalsContact CE1-CZ 3.43Å; H134-F268 WeakPolarHBondContact CE1-CZ 3.24Å; H134-F268 AromaticContact NE2-CD2 3.96Å; H134-F268 AromaticContact NE2-CE2 3.6Å; H134-S272 VanDerWaalsContact ND1-CA 3.27Å; H134-S272 WeakPolarHBondContact ND1-CA 3.34Å; H134-S272 WeakPolarHBondContact ND1-CB 3.38Å; H134-S272 PolarHBondContact ND1-N 2.65Å |
| 135 | G | 86.2 | Confident | 73.5 | Confident | 23 Ų | 23 | 57.6 Ų | 57.6 | 24% | 0.237 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.4 | -174.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D133 V253 K254 | D133-G135 PolarHBondContact OD1-N 3.34Å; G135-V253 WeakPolarHBondContact O-CA 3.41Å; G135-K254 VanDerWaalsContact O-CE 3.28Å; G135-K254 WeakPolarHBondContact O-CE 3.47Å; G135-K254 PolarHBondContact O-N 3.35Å |
| 136 | P | 84.1 | Confident | 71 | Confident | 60 Ų | 60 | 57.3 Ų | 57.3 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 140.4 | -177.2 | 24.3 | -33.3 | 0 | 0 | 0 | 112.5 | G138 A252 K254 | P136-G138 VanDerWaalsContact C-N 3.31Å; P136-G138 WeakPolarHBondContact CB-O 3.4Å; P136-A252 CarbonylContact C-O 3.49Å; P136-A252 VanDerWaalsContact CA-O 3.26Å; P136-A252 WeakPolarHBondContact CA-O 3.36Å; P136-K254 WeakPolarHBondContact O-CE 3.49Å |
| 137 | L | 84.9 | Confident | 68.6 | Low | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -69 | -34.7 | 162.8 | -179.6 | 69.8 | 0 | 0 | 0 | 110.7 | V61 L113 A252 K254 M274 Y275 M276 | V61-L137 HydrophobicContact CB-CD2 4.35Å; V61-L137 HydrophobicContact CG1-CD1 4.3Å; V61-L137 HydrophobicContact CG1-CD2 3.72Å; V61-L137 HydrophobicContact CG2-CD2 3.69Å; L113-L137 HydrophobicContact CD1-CD2 3.63Å; L137-A252 PolarHBondContact N-O 2.83Å; L137-K254 HydrophobicContact CB-CD 4.14Å; L137-K254 HydrophobicContact CB-CG 3.92Å; L137-K254 HydrophobicContact CD1-CD 3.89Å; L137-K254 HydrophobicContact CD1-CG 4.23Å; L137-M274 HydrophobicContact CD1-CE 4.47Å; L137-M274 HydrophobicContact CD1-CG 4.05Å; L137-Y275 CarbonylContact O-C 3.44Å; L137-Y275 WeakPolarHBondContact O-CA 3.19Å; L137-Y275 VanDerWaalsContact O-CD2 3.27Å; L137-Y275 WeakPolarHBondContact O-CD2 3.39Å; L137-M276 PolarHBondContact O-N 3.33Å |
| 138 | G | 72.9 | Confident | 66 | Low | 12 Ų | 12 | 59.1 Ų | 59.1 | 12% | 0.124 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -165.2 | -179.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P136 M276 | P136-G138 VanDerWaalsContact C-N 3.31Å; P136-G138 WeakPolarHBondContact CB-O 3.4Å; G138-M276 WeakPolarHBondContact CA-O 3.43Å |
| 139 | P | 61.3 | Low | 63.5 | Low | 54 Ų | 54 | 61.6 Ų | 61.6 | 35% | 0.351 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 160.8 | -175.4 | 30 | -37.5 | 0 | 0 | 0 | 113.7 | M276 H278 | P139-M276 WeakPolarHBondContact CD-O 3.3Å; P139-H278 HydrophobicContact CG-CB 3.64Å |
| 140 | I | 60.6 | Low | 60.7 | Low | 83 Ų | 83 | 63.1 Ų | 63.1 | 43% | 0.426 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 139.9 | -173.5 | -59.5 | 145.7 | 0 | 0 | 0 | 112 | L118 Y250 | L118-I140 HydrophobicContact CD1-CG2 4.47Å; L118-I140 HydrophobicContact CD2-CD1 3.72Å; L118-I140 HydrophobicContact CD2-CG1 3.83Å; L118-I140 HydrophobicContact CD2-CG2 4.24Å; L118-I140 HydrophobicContact CG-CG2 4.3Å; I140-Y250 WeakPolarHBondContact CA-O 3.02Å |
| 141 | R | 59.1 | Low | 57.9 | Low | 70 Ų | 70 | 71.5 Ų | 71.5 | 26% | 0.264 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 126 | 166.5 | -84.8 | -167.9 | 172.9 | 153.1 | -0.2 | 110.8 | E57 W115 S249 Y250 | E57-R141 IonicContact OE1-CZ 2.77Å; E57-R141 IonicContact OE1-NH1 2.76Å; E57-R141 PolarHBondContact OE1-NH1 2.59Å; E57-R141 IonicContact OE1-NH2 3.2Å; E57-R141 IonicContact OE2-CZ 2.89Å; E57-R141 IonicContact OE2-NH1 3.97Å; E57-R141 PolarHBondContact OE2-NH1 2.77Å; E57-R141 IonicContact OE2-NH2 3.77Å; E57-R141 PolarHBondContact OE2-NH2 2.93Å; W115-R141 HydrophobicContact CH2-CB 4.28Å; W115-R141 VanDerWaalsContact CH2-CD 3.46Å; W115-R141 HydrophobicContact CH2-CG 3.75Å; W115-R141 HydrophobicContact CZ3-CB 3.91Å; W115-R141 HydrophobicContact CZ3-CG 3.9Å; R141-S249 CarbonylContact O-C 3.36Å; R141-S249 VanDerWaalsContact O-CA 3.29Å; R141-S249 WeakPolarHBondContact O-CA 3.16Å; R141-Y250 PolarHBondContact N-O 2.75Å; R141-Y250 PolarHBondContact O-N 3.2Å |
| 142 | S | 45.9 | Very low | 54.9 | Low | 88 Ų | 88 | 78.7 Ų | 78.7 | 62% | 0.615 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 130.4 | 165.2 | -56 | 0 | 0 | 0 | 0 | 110.8 | S249 | S142-S249 WeakPolarHBondContact CA-OG 3.28Å; S142-S249 PolarHBondContact OG-OG 2.64Å |
| 143 | W | 44.1 | Very low | 51.8 | Low | 76 Ų | 76 | 87.2 Ų | 87.2 | 29% | 0.288 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 161.2 | 177.5 | -60.3 | 17.4 | 0 | 0 | 0 | 108.8 | Y183 T247 E248 Y250 | W143-Y183 HydrophobicContact CE3-CE2 4.17Å; W143-Y183 VanDerWaalsContact CE3-OH 3.27Å; W143-Y183 WeakPolarHBondContact CZ3-OH 3.49Å; W143-T247 PolarHBondContact O-OG1 3.41Å; W143-E248 WeakPolarHBondContact CB-O 3.43Å; W143-E248 PolarHBondContact N-O 3.1Å; W143-Y250 AromaticContact CD2-CD2 3.73Å; W143-Y250 HydrophobicContact CD2-CD2 3.73Å; W143-Y250 HydrophobicContact CD2-CE2 4.03Å; W143-Y250 HydrophobicContact CD2-CG 4.31Å; W143-Y250 AromaticContact CE2-CD2 3.45Å; W143-Y250 VanDerWaalsContact CE2-CD2 3.45Å; W143-Y250 AromaticContact CE2-CG 3.56Å; W143-Y250 HydrophobicContact CE3-CD2 4.15Å; W143-Y250 AromaticContact CE3-CE2 3.99Å; W143-Y250 HydrophobicContact CE3-CE2 3.99Å; W143-Y250 HydrophobicContact CG-CD2 4.21Å; W143-Y250 AromaticContact CH2-CD1 3.84Å; W143-Y250 HydrophobicContact CH2-CD1 3.84Å; W143-Y250 HydrophobicContact CH2-CD2 4.13Å; W143-Y250 AromaticContact CH2-CE1 3.81Å; W143-Y250 HydrophobicContact CH2-CE1 3.81Å; W143-Y250 HydrophobicContact CH2-CE2 4.14Å; W143-Y250 HydrophobicContact CH2-CG 4.05Å; W143-Y250 AromaticContact CZ2-CD1 3.57Å; W143-Y250 HydrophobicContact CZ2-CD1 3.57Å; W143-Y250 AromaticContact CZ2-CD2 3.69Å; W143-Y250 HydrophobicContact CZ2-CD2 3.69Å; W143-Y250 HydrophobicContact CZ2-CE1 4.04Å; W143-Y250 HydrophobicContact CZ2-CE2 4.17Å; W143-Y250 AromaticContact CZ2-CG 3.42Å; W143-Y250 HydrophobicContact CZ2-CG 3.42Å; W143-Y250 VanDerWaalsContact CZ2-CG 3.42Å; W143-Y250 HydrophobicContact CZ3-CD2 4.34Å; W143-Y250 HydrophobicContact CZ3-CE1 4.34Å; W143-Y250 HydrophobicContact CZ3-CE2 4.05Å; W143-Y250 AromaticContact NE1-CD2 3.75Å; W143-Y250 AromaticContact NE1-CG 3.82Å |
| 144 | K | 36.1 | Very low | 49 | Very low | 114 Ų | 114 | 88.9 Ų | 88.9 | 50% | 0.496 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 129.3 | 176.1 | -67.2 | -175.4 | 178.6 | -177.4 | 0 | 110.8 | T247 | K144-T247 VanDerWaalsContact CA-OG1 3.29Å; K144-T247 WeakPolarHBondContact CA-OG1 3.48Å; K144-T247 PolarHBondContact N-OG1 2.95Å |
| 145 | L | 34.6 | Very low | 46.2 | Very low | 82 Ų | 82 | 96.3 Ų | 96.3 | 43% | 0.429 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 127.5 | 163.6 | -127.6 | 77 | 0 | 0 | 0 | 109.3 | T247 | L145-T247 HydrophobicContact CB-CG2 3.86Å; L145-T247 HydrophobicContact CD1-CG2 4.18Å; L145-T247 PolarHBondContact N-OG1 3.25Å |
| 146 | L | 30.4 | Very low | 43.5 | Very low | 86 Ų | 86 | 102.7 Ų | 102.7 | 45% | 0.45 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 127.1 | 159.8 | -110.8 | 80.2 | 0 | 0 | 0 | 108.5 | Y244 | L146-Y244 HydrophobicContact CD1-CD1 4.38Å; L146-Y244 HydrophobicContact CD1-CE1 4.13Å |
| 147 | T | 34.4 | Very low | 41 | Very low | 75 Ų | 75 | 111.8 Ų | 111.8 | 46% | 0.46 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -94.3 | 127 | 155.2 | 62.6 | 0 | 0 | 0 | 0 | 107.2 | Q243 | T147-Q243 PolarHBondContact OG1-O 2.85Å; T147-Q243 VanDerWaalsContact OG1-O 3.12Å |
| 148 | Q | 31.2 | Very low | 38.5 | Very low | 123 Ų | 123 | 115.2 Ų | 115.2 | 58% | 0.575 | 60% | 0.603 | S | S | * | * | trans | -136.3 | 109.8 | -176.4 | -165.4 | 173.7 | 19 | 0 | 0 | 110 | ||||
| 149 | S | 29.5 | Very low | 36.7 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 80% | 0.797 | 63% | 0.634 | S | S | * | * | trans | -79.6 | 136.8 | 175.5 | 45.4 | 0 | 0 | 0 | 0 | 111.2 | Y151 | S149-Y151 PolarHBondContact O-N 3.14Š| ||
| 150 | C | 27.3 | Very low | 35.6 | Very low | 131 Ų | 131 | 122.7 Ų | 122.7 | 89% | 0.885 | 64% | 0.641 | S | S | * | * | trans | 0.8 | 101.7 | 174.5 | -60.7 | 0 | 0 | 0 | 0 | 118.3 | N152 | C150-N152 PolarHBondContact O-N 3.14Š| ||
| 151 | Y | 28 | Very low | 34.5 | Very low | 200 Ų | 200 | 125.3 Ų | 125.3 | 78% | 0.784 | 66% | 0.656 | S | S | * | * | trans | -70 | 126.6 | 160.3 | -131.8 | -84.5 | 0 | 0 | 0 | 110 | S149 | S149-Y151 PolarHBondContact O-N 3.14Š| ||
| 152 | N | 29 | Very low | 33.2 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | -82 | 129 | -174.4 | -137.7 | -12.7 | 0 | 0 | 0 | 110.9 | C150 | C150-N152 PolarHBondContact O-N 3.14Š| ||
| 153 | K | 27 | Very low | 32.5 | Very low | 209 Ų | 209 | 132.6 Ų | 132.6 | 91% | 0.909 | 68% | 0.684 | S | S | * | * | trans | -89.4 | 106.2 | -178.4 | -80.6 | -176.6 | 175.5 | 176.4 | 0 | 112.1 | ||||
| 154 | S | 30.8 | Very low | 32.1 | Very low | 87 Ų | 87 | 132.5 Ų | 132.5 | 61% | 0.608 | 70% | 0.695 | S | S | * | * | trans | -149 | 153.4 | 161.9 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 155 | H | 32.4 | Very low | 31.7 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | trans | 61.2 | 94.6 | -169.5 | -49 | -83.2 | 0 | 0 | 0 | 113.3 | ||||
| 156 | L | 30.1 | Very low | 31.9 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | cis | 63.9 | 95.1 | 16.8 | -90.7 | 172.6 | 0 | 0 | 0 | 116.1 | ||||
| 157 | R | 31.6 | Very low | 31.8 | Very low | 252 Ų | 252 | 144.5 Ų | 144.5 | 95% | 0.951 | 74% | 0.743 | S | S | * | * | -177.5 | 148.9 | 119.5 | -101 | 175 | -178.2 | -151.8 | -0.5 | 113.3 | |||||
| 158 | G | 32.3 | Very low | 31.5 | Very low | 75 Ų | 75 | 147.1 Ų | 147.1 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | 84.8 | 79.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 159 | N | 35.6 | Very low | 31.2 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | cis | 104.4 | 129.5 | 18.1 | -157.3 | 83.5 | 0 | 0 | 0 | 113.7 | ||||
| 160 | P | 37 | Very low | 31.1 | Very low | 75 Ų | 75 | 146 Ų | 146 | 49% | 0.487 | 76% | 0.759 | S | S | . | * | trans | -104.6 | -177.1 | -161.3 | 42.6 | -39 | 0 | 0 | 0 | 114.5 | ||||
| 161 | N | 37.8 | Very low | 31.1 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | 175 | 111 | 133.1 | -91.1 | -24.2 | 0 | 0 | 0 | 113.8 | ||||
| 162 | Y | 32.3 | Very low | 31 | Very low | 200 Ų | 200 | 140.6 Ų | 140.6 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | trans | -156.9 | 80.7 | 147 | -114.8 | -85.8 | 0 | 0 | 0 | 107.7 | ||||
| 163 | T | 30.7 | Very low | 30.8 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | 53.8 | 105.7 | 109.1 | 57.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 164 | S | 35.2 | Very low | 30.8 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 52% | 0.517 | 73% | 0.734 | S | S | . | * | S | Bend | cis | -160 | 169 | 5.1 | -173.8 | 0 | 0 | 0 | 0 | 110.4 | Y167 | S164-Y167 WeakPolarHBondContact O-CD2 3.25Å; S164-Y167 WeakPolarHBondContact O-CE2 3.33Å |
| 165 | L | 28.7 | Very low | 30.6 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 69 | 55.2 | 169.3 | -45.1 | 112.9 | 0 | 0 | 0 | 119.5 | ||
| 166 | K | 38.2 | Very low | 30.3 | Very low | 215 Ų | 215 | 134.1 Ų | 134.1 | 94% | 0.935 | 73% | 0.734 | S | S | * | * | S | Bend | cis | -121.5 | 91.6 | -19.2 | -75.1 | 175.1 | 175.5 | 174.4 | 0 | 103.9 | ||
| 167 | Y | 29.7 | Very low | 30.1 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 64% | 0.635 | 72% | 0.724 | S | S | * | * | trans | -87.5 | 157.8 | -162.6 | -85.6 | -120.1 | 0 | 0 | 0 | 114.5 | S164 | S164-Y167 WeakPolarHBondContact O-CD2 3.25Å; S164-Y167 WeakPolarHBondContact O-CE2 3.33Å | ||
| 168 | D | 27.3 | Very low | 30 | Very low | 130 Ų | 130 | 127 Ų | 127 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | trans | 51.4 | 139.3 | 149.5 | -64.7 | -37.2 | 0 | 0 | 0 | 121.7 | ||||
| 169 | C | 24.8 | Very low | 29.7 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 75% | 0.75 | 71% | 0.714 | S | S | * | * | -155.1 | 156.2 | 109.9 | -94.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 170 | S | 27.5 | Very low | 29.1 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | trans | -114.2 | 166.8 | -166.7 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 171 | S | 26.3 | Very low | 28.5 | Very low | 95 Ų | 95 | 135 Ų | 135 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | trans | 75.1 | 156.5 | 145.7 | 74.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 172 | T | 25.7 | Very low | 28 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | 66.8 | 127.9 | 172.4 | 51.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 173 | V | 26.5 | Very low | 27.6 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 75% | 0.745 | 72% | 0.717 | S | S | * | * | 68 | 118.5 | 52.4 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 174 | D | 26.2 | Very low | 27.4 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | cis | -154.8 | 178.5 | 25 | -142.3 | -24.3 | 0 | 0 | 0 | 114.7 | ||||
| 175 | T | 27.6 | Very low | 26.9 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | trans | 65 | 113.5 | 150.2 | 51.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 176 | V | 26 | Very low | 26.8 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | 77.3 | 141.5 | 121.6 | 174.3 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 177 | S | 25.9 | Very low | 26.4 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | trans | 83.4 | 108.7 | 159.1 | 64.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 178 | Q | 28.7 | Very low | 26.3 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | 73.9 | 145.2 | 140 | -57.7 | 170.2 | 25.5 | 0 | 0 | 118.8 | ||||
| 179 | N | 25.3 | Very low | 26.3 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -168 | 124.7 | -24 | -106.8 | -10.1 | 0 | 0 | 0 | 108.5 | ||||
| 180 | Y | 23.3 | Very low | 26.7 | Very low | 217 Ų | 217 | 133.6 Ų | 133.6 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | trans | 60.5 | 159 | 167.1 | -81 | -105 | 0 | 0 | 0 | 119.4 | ||||
| 181 | S | 25.6 | Very low | 26.9 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | trans | 75.3 | 164.7 | 163.5 | 79.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 182 | G | 26.6 | Very low | 27.2 | Very low | 63 Ų | 63 | 135.5 Ų | 135.5 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | trans | 90 | 121 | -168 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 183 | Y | 24.5 | Very low | 27.7 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 57% | 0.565 | 76% | 0.755 | S | S | * | * | cis | 53.5 | 76.4 | 15.2 | -93.3 | -70 | 0 | 0 | 0 | 113.1 | W143 T185 | W143-Y183 HydrophobicContact CE3-CE2 4.17Å; W143-Y183 VanDerWaalsContact CE3-OH 3.27Å; W143-Y183 WeakPolarHBondContact CZ3-OH 3.49Å; Y183-T185 PolarHBondContact O-N 3.23Å | ||
| 184 | Q | 26 | Very low | 28 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | trans | -79.7 | 100.7 | 160.1 | -74.6 | -175.7 | -35.6 | 0 | 0 | 108.7 | E186 | Q184-E186 PolarHBondContact O-N 2.86Š| ||
| 185 | T | 25.3 | Very low | 28.4 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -77 | 105.2 | 163.3 | 34 | 0 | 0 | 0 | 0 | 109 | Y183 S187 | Y183-T185 PolarHBondContact O-N 3.23Å; T185-S187 PolarHBondContact O-N 3.09Å | ||
| 186 | E | 25.9 | Very low | 28.5 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -62.9 | 135.6 | 167.9 | -69.1 | -152.5 | 134.8 | 0 | 0 | 110.3 | Q184 V188 | Q184-E186 PolarHBondContact O-N 2.86Å; E186-V188 PolarHBondContact O-N 3.4Å; E186-V188 VanDerWaalsContact O-N 3.14Å | ||
| 187 | S | 28.9 | Very low | 29 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | -84.5 | 92.9 | -167.7 | 59.4 | 0 | 0 | 0 | 0 | 112 | T185 Q189 | T185-S187 PolarHBondContact O-N 3.09Å; S187-Q189 PolarHBondContact O-N 3.4Å; S187-Q189 VanDerWaalsContact O-N 3.14Å | ||
| 188 | V | 28.8 | Very low | 29.6 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -64.7 | 111 | 165.4 | -178.6 | 0 | 0 | 0 | 0 | 109 | E186 N190 | E186-V188 PolarHBondContact O-N 3.4Å; E186-V188 VanDerWaalsContact O-N 3.14Å; V188-N190 PolarHBondContact O-N 3.36Å | ||
| 189 | Q | 27.2 | Very low | 30.1 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -76.5 | 115.5 | 171.2 | -68.5 | -175.7 | -9.8 | 0 | 0 | 110 | S187 | S187-Q189 PolarHBondContact O-N 3.4Å; S187-Q189 VanDerWaalsContact O-N 3.14Å | ||
| 190 | N | 32 | Very low | 30.9 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -158.1 | 129.1 | 151.8 | -98.7 | -37.5 | 0 | 0 | 0 | 109.1 | V188 | V188-N190 PolarHBondContact O-N 3.36Š| ||
| 191 | S | 31.8 | Very low | 31.4 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | trans | -85.9 | -11.1 | -161.7 | 39.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 192 | D | 33.3 | Very low | 32 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 5.3 | -148.2 | -61 | -4.3 | 0 | 0 | 0 | 115.1 | ||
| 193 | L | 35.2 | Very low | 32.5 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 87% | 0.869 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -6.1 | -174.5 | -81.6 | 164.8 | 0 | 0 | 0 | 115.6 | N195 | L193-N195 PolarHBondContact O-N 2.83Š|
| 194 | L | 34.6 | Very low | 33.1 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 68% | 0.675 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -2.5 | -165.8 | -91.3 | 160.6 | 0 | 0 | 0 | 116.7 | ||
| 195 | N | 33.6 | Very low | 33.9 | Very low | 155 Ų | 155 | 122.8 Ų | 122.8 | 83% | 0.829 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 5.5 | -169.5 | -77.4 | -22.3 | 0 | 0 | 0 | 116.3 | L193 | L193-N195 PolarHBondContact O-N 2.83Š|
| 196 | N | 30.6 | Very low | 34.6 | Very low | 108 Ų | 108 | 120.1 Ų | 120.1 | 58% | 0.578 | 68% | 0.678 | S | S | * | * | trans | -136 | 75 | 179.5 | -88.2 | -51.2 | 0 | 0 | 0 | 113.2 | S198 L199 | N196-S198 PolarHBondContact O-N 3.34Å; N196-L199 HydrophobicContact CB-CD1 4.26Å; N196-L199 PolarHBondContact O-N 2.83Å | ||
| 197 | H | 36.4 | Very low | 35.5 | Very low | 177 Ų | 177 | 115 Ų | 115 | 82% | 0.819 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -8.9 | -179.7 | -86.9 | -78.6 | 0 | 0 | 0 | 115.9 | ||
| 198 | S | 37.3 | Very low | 35.9 | Very low | 99 Ų | 99 | 114.1 Ų | 114.1 | 69% | 0.692 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -11.9 | 178.7 | 52 | 0 | 0 | 0 | 0 | 114.8 | N196 | N196-S198 PolarHBondContact O-N 3.34Š|
| 199 | L | 39.9 | Very low | 36.4 | Very low | 100 Ų | 100 | 111.8 Ų | 111.8 | 52% | 0.524 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -99.2 | -3.6 | -161.7 | -112.1 | 162 | 0 | 0 | 0 | 116.2 | N196 K203 | N196-L199 HydrophobicContact CB-CD1 4.26Å; N196-L199 PolarHBondContact O-N 2.83Å; L199-K203 WeakPolarHBondContact O-CE 3.44Å; L199-K203 PolarHBondContact O-NZ 2.86Å |
| 200 | L | 41.4 | Very low | 37.2 | Very low | 128 Ų | 128 | 108.6 Ų | 108.6 | 67% | 0.67 | 61% | 0.61 | S | S | * | * | trans | -107.2 | -8 | -175.8 | -76.4 | 165.5 | 0 | 0 | 0 | 114.7 | G202 | L200-G202 PolarHBondContact O-N 2.96Š| ||
| 201 | S | 35 | Very low | 37.5 | Very low | 89 Ų | 89 | 105.8 Ų | 105.8 | 62% | 0.622 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 130.6 | 175.5 | -173.6 | 0 | 0 | 0 | 0 | 111 | K203 | S201-K203 VanDerWaalsContact C-N 3.35Å; S201-K203 PolarHBondContact O-N 2.87Å |
| 202 | G | 37.4 | Very low | 37.8 | Very low | 67 Ų | 67 | 107.7 Ų | 107.7 | 69% | 0.691 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.1 | 12.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | L200 | L200-G202 PolarHBondContact O-N 2.96Š|
| 203 | K | 37.4 | Very low | 38.1 | Very low | 108 Ų | 108 | 105.4 Ų | 105.4 | 47% | 0.47 | 58% | 0.581 | S | S | . | * | trans | -107.3 | 140.3 | 175.7 | -67.3 | 176 | -176.1 | 164 | 0 | 111.2 | L199 S201 | L199-K203 WeakPolarHBondContact O-CE 3.44Å; L199-K203 PolarHBondContact O-NZ 2.86Å; S201-K203 VanDerWaalsContact C-N 3.35Å; S201-K203 PolarHBondContact O-N 2.87Å | ||
| 204 | S | 37.6 | Very low | 38.5 | Very low | 76 Ų | 76 | 102.9 Ų | 102.9 | 53% | 0.531 | 58% | 0.578 | S | S | . | * | trans | -63.9 | 139.8 | 170.1 | 44.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 205 | V | 43.2 | Very low | 38.9 | Very low | 71 Ų | 71 | 103.4 Ų | 103.4 | 43% | 0.43 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 111.9 | 177.5 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | I207 I224 | V205-I207 PolarHBondContact O-N 3.11Å; V205-I224 PolarHBondContact N-O 2.67Å; V205-I224 PolarHBondContact O-N 3.47Å |
| 206 | T | 38.2 | Very low | 38.7 | Very low | 70 Ų | 70 | 100 Ų | 100 | 43% | 0.429 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 107.2 | 170.1 | -49.6 | 0 | 0 | 0 | 0 | 109.1 | L208 Y222 S223 | T206-L208 HydrophobicContact CG2-CD2 4.31Å; T206-Y222 CarbonylContact C-O 3.56Å; T206-Y222 WeakPolarHBondContact CA-O 3.27Å; T206-S223 PolarHBondContact OG1-OG 3.28Å |
| 207 | I | 45.5 | Very low | 39 | Very low | 81 Ų | 81 | 99.7 Ų | 99.7 | 42% | 0.415 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.5 | 132 | 166.2 | -61.6 | -169.8 | 0 | 0 | 0 | 108.1 | V205 S221 Y222 I224 | V205-I207 PolarHBondContact O-N 3.11Å; I207-S221 WeakPolarHBondContact O-CA 3.37Å; I207-Y222 PolarHBondContact N-O 2.92Å; I207-Y222 PolarHBondContact O-N 3.38Å; I207-I224 HydrophobicContact CD1-CD1 3.53Å; I207-I224 HydrophobicContact CD1-CG1 4.45Å; I207-I224 HydrophobicContact CG1-CD1 4.12Å |
| 208 | L | 38.3 | Very low | 39.1 | Very low | 86 Ų | 86 | 98.6 Ų | 98.6 | 45% | 0.45 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 108.1 | 166.7 | -60.8 | 177.9 | 0 | 0 | 0 | 107.4 | T206 F210 Y219 | T206-L208 HydrophobicContact CG2-CD2 4.31Å; L208-F210 HydrophobicContact CB-CD2 4.46Å; L208-F210 HydrophobicContact CB-CE2 3.65Å; L208-F210 HydrophobicContact CB-CZ 3.7Å; L208-F210 HydrophobicContact CD1-CZ 4.15Å; L208-F210 WeakPolarHBondContact O-CD2 3.47Å; L208-F210 WeakPolarHBondContact O-CE2 3.46Å; L208-Y219 HydrophobicContact CD2-CD2 3.94Å; L208-Y219 HydrophobicContact CD2-CE2 4.29Å |
| 209 | D | 39 | Very low | 39.2 | Very low | 77 Ų | 77 | 101 Ų | 101 | 41% | 0.412 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.7 | 132 | 174.3 | 171.3 | 37.2 | 0 | 0 | 0 | 108.7 | Y219 N220 Y222 | D209-Y219 CarbonylContact O-C 3.55Å; D209-Y219 WeakPolarHBondContact O-CA 3.39Å; D209-Y219 WeakPolarHBondContact O-CB 3.48Å; D209-N220 HydrophobicContact CB-CB 4.39Å; D209-N220 PolarHBondContact N-O 3.28Å; D209-N220 PolarHBondContact O-N 3.11Å; D209-Y222 HydrophobicContact CB-CD2 4.15Å; D209-Y222 HydrophobicContact CB-CE2 3.8Å |
| 210 | F | 43.4 | Very low | 39.1 | Very low | 108 Ų | 108 | 99.4 Ų | 99.4 | 47% | 0.474 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 101.2 | -166.6 | -69.9 | -79.8 | 0 | 0 | 0 | 112.2 | L208 L212 L217 R218 Y219 | L208-F210 HydrophobicContact CB-CD2 4.46Å; L208-F210 HydrophobicContact CB-CE2 3.65Å; L208-F210 HydrophobicContact CB-CZ 3.7Å; L208-F210 HydrophobicContact CD1-CZ 4.15Å; L208-F210 WeakPolarHBondContact O-CD2 3.47Å; L208-F210 WeakPolarHBondContact O-CE2 3.46Å; F210-L212 PolarHBondContact O-N 3.04Å; F210-L217 HydrophobicContact CB-CD2 4.22Å; F210-L217 HydrophobicContact CD1-CD2 3.5Å; F210-L217 VanDerWaalsContact CD1-CD2 3.5Å; F210-L217 HydrophobicContact CE1-CD2 4.28Å; F210-L217 HydrophobicContact CG-CD2 4.26Å; F210-R218 CarbonylContact C-O 3.48Å; F210-R218 WeakPolarHBondContact CA-O 3.47Å; F210-Y219 HydrophobicContact CE1-CG 4.27Å |
| 211 | E | 38 | Very low | 38.9 | Very low | 89 Ų | 89 | 96.9 Ų | 96.9 | 42% | 0.416 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 104.1 | 178.3 | -176.2 | -172.5 | -122.7 | 0 | 0 | 110.4 | N213 R218 | E211-N213 PolarHBondContact O-N 3.36Å; E211-R218 HydrophobicContact CB-CB 4.25Å; E211-R218 PolarHBondContact N-O 3Å; E211-R218 PolarHBondContact O-N 3.28Å; E211-R218 WeakPolarHBondContact OE2-CD 3.31Å; E211-R218 IonicContact OE2-NH1 2.72Å |
| 212 | L | 38.7 | Very low | 39.3 | Very low | 137 Ų | 137 | 97.6 Ų | 97.6 | 72% | 0.717 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 93 | 177.8 | -165.9 | 128.1 | 0 | 0 | 0 | 111 | F210 L217 | F210-L212 PolarHBondContact O-N 3.04Å; L212-L217 HydrophobicContact CD1-CD1 3.94Å; L212-L217 HydrophobicContact CD1-CG 4.12Å |
| 213 | N | 40.2 | Very low | 39.3 | Very low | 92 Ų | 92 | 98.5 Ų | 98.5 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 161.6 | 171.7 | -147.3 | -44.7 | 0 | 0 | 0 | 110.3 | E211 T215 C216 | E211-N213 PolarHBondContact O-N 3.36Å; N213-T215 PolarHBondContact O-N 2.86Å; N213-C216 PolarHBondContact N-O 3.4Å; N213-C216 PolarHBondContact O-N 3.44Å |
| 214 | S | 43.1 | Very low | 39.7 | Very low | 113 Ų | 113 | 96.7 Ų | 96.7 | 79% | 0.79 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -9.4 | -157.8 | 62.1 | 0 | 0 | 0 | 0 | 117.5 | ||
| 215 | T | 41.8 | Very low | 39.8 | Very low | 140 Ų | 140 | 97.3 Ų | 97.3 | 86% | 0.859 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.1 | 0.3 | 171.7 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | N213 | N213-T215 PolarHBondContact O-N 2.86Š|
| 216 | C | 29.6 | Very low | 39.7 | Very low | 83 Ų | 83 | 97.1 Ų | 97.1 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 137.5 | -173.8 | -162 | 0 | 0 | 0 | 0 | 112.9 | N213 | N213-C216 PolarHBondContact N-O 3.4Å; N213-C216 PolarHBondContact O-N 3.44Å |
| 217 | L | 38.2 | Very low | 39.7 | Very low | 102 Ų | 102 | 98.5 Ų | 98.5 | 53% | 0.534 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 106.3 | -175.9 | -164.7 | 166.1 | 0 | 0 | 0 | 108.7 | F210 L212 | F210-L217 HydrophobicContact CB-CD2 4.22Å; F210-L217 HydrophobicContact CD1-CD2 3.5Å; F210-L217 VanDerWaalsContact CD1-CD2 3.5Å; F210-L217 HydrophobicContact CE1-CD2 4.28Å; F210-L217 HydrophobicContact CG-CD2 4.26Å; L212-L217 HydrophobicContact CD1-CD1 3.94Å; L212-L217 HydrophobicContact CD1-CG 4.12Å |
| 218 | R | 37.8 | Very low | 39.3 | Very low | 155 Ų | 155 | 100 Ų | 100 | 59% | 0.585 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 162.6 | 174.8 | -76 | 179.5 | 170.7 | 174.3 | -2.6 | 110.7 | F210 E211 | F210-R218 CarbonylContact C-O 3.48Å; F210-R218 WeakPolarHBondContact CA-O 3.47Å; E211-R218 HydrophobicContact CB-CB 4.25Å; E211-R218 PolarHBondContact N-O 3Å; E211-R218 PolarHBondContact O-N 3.28Å; E211-R218 WeakPolarHBondContact OE2-CD 3.31Å; E211-R218 IonicContact OE2-NH1 2.72Å |
| 219 | Y | 39.4 | Very low | 39.5 | Very low | 149 Ų | 149 | 103.2 Ų | 103.2 | 58% | 0.584 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -136.5 | 144.5 | 165.1 | 69.2 | -91 | 0 | 0 | 0 | 112.4 | L208 D209 F210 | L208-Y219 HydrophobicContact CD2-CD2 3.94Å; L208-Y219 HydrophobicContact CD2-CE2 4.29Å; D209-Y219 CarbonylContact O-C 3.55Å; D209-Y219 WeakPolarHBondContact O-CA 3.39Å; D209-Y219 WeakPolarHBondContact O-CB 3.48Å; F210-Y219 HydrophobicContact CE1-CG 4.27Å |
| 220 | N | 38.6 | Very low | 39.5 | Very low | 66 Ų | 66 | 102.5 Ų | 102.5 | 35% | 0.353 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107 | 131 | 168 | -61.9 | -50.4 | 0 | 0 | 0 | 108.3 | D209 Y222 | D209-N220 HydrophobicContact CB-CB 4.39Å; D209-N220 PolarHBondContact N-O 3.28Å; D209-N220 PolarHBondContact O-N 3.11Å; N220-Y222 HydrophobicContact CB-CD2 4.41Å; N220-Y222 HydrophobicContact CB-CE1 4.42Å; N220-Y222 HydrophobicContact CB-CE2 3.58Å; N220-Y222 WeakPolarHBondContact CB-OH 3.34Å |
| 221 | S | 36.8 | Very low | 39.3 | Very low | 75 Ų | 75 | 102.6 Ų | 102.6 | 52% | 0.524 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102 | 118.6 | 176.8 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | I207 | I207-S221 WeakPolarHBondContact O-CA 3.37Å |
| 222 | Y | 42.5 | Very low | 39.3 | Very low | 105 Ų | 105 | 103 Ų | 103 | 41% | 0.412 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.2 | 107.8 | 177.7 | -55.7 | -69.5 | 0 | 0 | 0 | 110.2 | T206 I207 D209 N220 I224 | T206-Y222 CarbonylContact C-O 3.56Å; T206-Y222 WeakPolarHBondContact CA-O 3.27Å; I207-Y222 PolarHBondContact N-O 2.92Å; I207-Y222 PolarHBondContact O-N 3.38Å; D209-Y222 HydrophobicContact CB-CD2 4.15Å; D209-Y222 HydrophobicContact CB-CE2 3.8Å; N220-Y222 HydrophobicContact CB-CD2 4.41Å; N220-Y222 HydrophobicContact CB-CE1 4.42Å; N220-Y222 HydrophobicContact CB-CE2 3.58Å; N220-Y222 WeakPolarHBondContact CB-OH 3.34Å; Y222-I224 PolarHBondContact O-N 3.03Å |
| 223 | S | 38.4 | Very low | 39.2 | Very low | 85 Ų | 85 | 103.2 Ų | 103.2 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 109.4 | 171.2 | -68.1 | 0 | 0 | 0 | 0 | 110.1 | T206 | T206-S223 PolarHBondContact OG1-OG 3.28Å |
| 224 | I | 44.4 | Very low | 38.9 | Very low | 70 Ų | 70 | 105 Ų | 105 | 36% | 0.359 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.5 | 136.4 | 171.9 | -54.9 | -174.1 | 0 | 0 | 0 | 108.3 | V205 I207 Y222 | V205-I224 PolarHBondContact N-O 2.67Å; V205-I224 PolarHBondContact O-N 3.47Å; I207-I224 HydrophobicContact CD1-CD1 3.53Å; I207-I224 HydrophobicContact CD1-CG1 4.45Å; I207-I224 HydrophobicContact CG1-CD1 4.12Å; Y222-I224 PolarHBondContact O-N 3.03Å |
| 225 | P | 41.3 | Very low | 38.5 | Very low | 89 Ų | 89 | 108.5 Ų | 108.5 | 58% | 0.578 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 150.5 | 171.2 | 25 | -34.5 | 0 | 0 | 0 | 111.1 | ||
| 226 | P | 40.5 | Very low | 38.1 | Very low | 67 Ų | 67 | 106.1 Ų | 106.1 | 44% | 0.435 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 127.9 | -175.6 | 23.8 | -33.4 | 0 | 0 | 0 | 111.2 | ||
| 227 | P | 38.1 | Very low | 38.2 | Very low | 100 Ų | 100 | 109.7 Ų | 109.7 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 149 | -179.5 | 27.4 | -34.7 | 0 | 0 | 0 | 111.5 | ||
| 228 | P | 37.9 | Very low | 38 | Very low | 111 Ų | 111 | 108.6 Ų | 108.6 | 72% | 0.721 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 150.9 | 178.2 | 26.9 | -34.3 | 0 | 0 | 0 | 112.2 | C230 | P228-C230 PolarHBondContact O-N 3.44Š|
| 229 | L | 41.3 | Very low | 37.9 | Very low | 155 Ų | 155 | 108.1 Ų | 108.1 | 81% | 0.812 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 118.9 | -175.6 | -72.7 | 158 | 0 | 0 | 0 | 112.5 | S231 | L229-S231 PolarHBondContact O-N 3.32Š|
| 230 | C | 40.3 | Very low | 37.6 | Very low | 62 Ų | 62 | 107.2 Ų | 107.2 | 42% | 0.419 | 63% | 0.634 | S | S | . | * | trans | -72.5 | 109.2 | 171.7 | -43.6 | 0 | 0 | 0 | 0 | 109.7 | P228 C245 | P228-C230 PolarHBondContact O-N 3.44Å; C230-C245 HydrophobicContact CB-CB 4.23Å; C230-C245 WeakPolarHBondContact CB-SG 3.34Å; C230-C245 WeakPolarHBondContact SG-CB 3.35Å; C230-C245 CovalentContact SG-SG 2.05Å; C230-C245 PolarHBondContact SG-SG 3.14Å | ||
| 231 | S | 39 | Very low | 37.2 | Very low | 110 Ų | 110 | 109.2 Ų | 109.2 | 77% | 0.769 | 65% | 0.653 | S | S | * | * | trans | -74.2 | 139 | 179.1 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | L229 | L229-S231 PolarHBondContact O-N 3.32Š| ||
| 232 | T | 38.5 | Very low | 36.8 | Very low | 98 Ų | 98 | 111.3 Ų | 111.3 | 60% | 0.601 | 65% | 0.65 | S | S | * | * | trans | -95 | 94.2 | 174.2 | 47 | 0 | 0 | 0 | 0 | 110.4 | T234 | T232-T234 PolarHBondContact O-N 2.78Š| ||
| 233 | D | 35.2 | Very low | 36.4 | Very low | 140 Ų | 140 | 111.9 Ų | 111.9 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | trans | -77.9 | 99.9 | 178 | -145.8 | -21.5 | 0 | 0 | 0 | 110.4 | K235 | D233-K235 PolarHBondContact O-N 2.89Š| ||
| 234 | T | 33.6 | Very low | 36.2 | Very low | 129 Ų | 129 | 113.6 Ų | 113.6 | 79% | 0.791 | 65% | 0.651 | S | S | * | * | trans | -79.4 | 35.6 | -165 | 41.7 | 0 | 0 | 0 | 0 | 114.3 | T232 | T232-T234 PolarHBondContact O-N 2.78Š| ||
| 235 | K | 34.7 | Very low | 35.8 | Very low | 187 Ų | 187 | 111.8 Ų | 111.8 | 81% | 0.813 | 64% | 0.644 | S | S | * | * | trans | -131 | 48.6 | -173 | -71.5 | -175.2 | 177.9 | 174 | 0 | 115 | D233 | D233-K235 PolarHBondContact O-N 2.89Š| ||
| 236 | S | 33.4 | Very low | 35.6 | Very low | 90 Ų | 90 | 116.4 Ų | 116.4 | 63% | 0.629 | 65% | 0.652 | S | S | * | * | trans | -144.9 | 107.5 | 154.5 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | S238 | S236-S238 VanDerWaalsContact C-N 3.31Å; S236-S238 PolarHBondContact O-N 3.37Å | ||
| 237 | T | 32.2 | Very low | 35.7 | Very low | 159 Ų | 159 | 115.5 Ų | 115.5 | 98% | 0.975 | 65% | 0.645 | S | S | * | * | trans | -80.7 | 78.1 | 172.5 | 49.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 238 | S | 34.9 | Very low | 36.3 | Very low | 79 Ų | 79 | 115.8 Ų | 115.8 | 55% | 0.552 | 64% | 0.637 | S | S | * | * | trans | -140.7 | 136.1 | 167.7 | 70.4 | 0 | 0 | 0 | 0 | 110.5 | S236 N240 | S236-S238 VanDerWaalsContact C-N 3.31Å; S236-S238 PolarHBondContact O-N 3.37Å; S238-N240 VanDerWaalsContact C-N 3.26Å; S238-N240 PolarHBondContact O-N 3.47Å | ||
| 239 | T | 34.1 | Very low | 37.4 | Very low | 144 Ų | 144 | 111.8 Ų | 111.8 | 88% | 0.883 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -81.7 | 66.6 | -171.8 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 240 | N | 33.2 | Very low | 38.6 | Very low | 131 Ų | 131 | 106.2 Ų | 106.2 | 70% | 0.701 | 58% | 0.581 | S | S | * | * | trans | -171.3 | 58.6 | 163.9 | -94.5 | -23.7 | 0 | 0 | 0 | 110.2 | S238 Y242 | S238-N240 VanDerWaalsContact C-N 3.26Å; S238-N240 PolarHBondContact O-N 3.47Å; N240-Y242 WeakPolarHBondContact O-CD2 3.43Å; N240-Y242 PolarHBondContact O-N 3.37Å | ||
| 241 | S | 30.2 | Very low | 40.5 | Very low | 107 Ų | 107 | 105.3 Ų | 105.3 | 75% | 0.748 | 57% | 0.57 | S | S | * | * | trans | -78.6 | 86.8 | -177.3 | 58.5 | 0 | 0 | 0 | 0 | 112.4 | Q243 | S241-Q243 PolarHBondContact O-N 2.87Š| ||
| 242 | Y | 29.5 | Very low | 42.7 | Very low | 119 Ų | 119 | 100.3 Ų | 100.3 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | trans | -62.7 | 122.6 | 167.2 | -70 | -91 | 0 | 0 | 0 | 110.3 | N240 Y244 | N240-Y242 WeakPolarHBondContact O-CD2 3.43Å; N240-Y242 PolarHBondContact O-N 3.37Å; Y242-Y244 WeakPolarHBondContact O-CD2 3.18Å; Y242-Y244 PolarHBondContact O-N 3.28Å | ||
| 243 | Q | 34.7 | Very low | 45.1 | Very low | 117 Ų | 117 | 95.8 Ų | 95.8 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | trans | -90.7 | 87.5 | -178.6 | -163.5 | 166.7 | 5.5 | 0 | 0 | 110.5 | T147 S241 | T147-Q243 PolarHBondContact OG1-O 2.85Å; T147-Q243 VanDerWaalsContact OG1-O 3.12Å; S241-Q243 PolarHBondContact O-N 2.87Å | ||
| 244 | Y | 33.4 | Very low | 47.9 | Very low | 122 Ų | 122 | 89.3 Ų | 89.3 | 48% | 0.478 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 122.2 | 177.1 | -55.2 | -75.4 | 0 | 0 | 0 | 111.2 | L146 Y242 | L146-Y244 HydrophobicContact CD1-CD1 4.38Å; L146-Y244 HydrophobicContact CD1-CE1 4.13Å; Y242-Y244 WeakPolarHBondContact O-CD2 3.18Å; Y242-Y244 PolarHBondContact O-N 3.28Å |
| 245 | C | 34.9 | Very low | 50.8 | Low | 31 Ų | 31 | 83.2 Ų | 83.2 | 21% | 0.209 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.6 | 159.4 | -75.6 | 0 | 0 | 0 | 0 | 108.3 | C230 T247 | C230-C245 HydrophobicContact CB-CB 4.23Å; C230-C245 WeakPolarHBondContact CB-SG 3.34Å; C230-C245 WeakPolarHBondContact SG-CB 3.35Å; C230-C245 CovalentContact SG-SG 2.05Å; C230-C245 PolarHBondContact SG-SG 3.14Å; C245-T247 PolarHBondContact O-N 2.94Å |
| 246 | Y | 37 | Very low | 53.7 | Low | 187 Ų | 187 | 74.3 Ų | 74.3 | 73% | 0.733 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 127.6 | 172.5 | -73.3 | -89.3 | 0 | 0 | 0 | 109.1 | ||
| 247 | T | 44.2 | Very low | 56.5 | Low | 48 Ų | 48 | 70.1 Ų | 70.1 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 168 | 177.5 | 46.7 | 0 | 0 | 0 | 0 | 111.1 | W143 K144 L145 C245 | W143-T247 PolarHBondContact O-OG1 3.41Å; K144-T247 VanDerWaalsContact CA-OG1 3.29Å; K144-T247 WeakPolarHBondContact CA-OG1 3.48Å; K144-T247 PolarHBondContact N-OG1 2.95Å; L145-T247 HydrophobicContact CB-CG2 3.86Å; L145-T247 HydrophobicContact CD1-CG2 4.18Å; L145-T247 PolarHBondContact N-OG1 3.25Å; C245-T247 PolarHBondContact O-N 2.94Å |
| 248 | E | 49.1 | Very low | 59.3 | Low | 105 Ų | 105 | 63.3 Ų | 63.3 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -44.9 | 147.6 | -178.4 | -65.6 | 172.5 | 176.2 | 0 | 0 | 113.6 | W143 Y250 | W143-E248 WeakPolarHBondContact CB-O 3.43Å; W143-E248 PolarHBondContact N-O 3.1Å; E248-Y250 HydrophobicContact CB-CD2 4.39Å; E248-Y250 HydrophobicContact CB-CE2 3.78Å; E248-Y250 PolarHBondContact OE2-OH 2.96Å |
| 249 | S | 61.4 | Low | 61.8 | Low | 28 Ų | 28 | 63 Ų | 63 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 141.2 | 175.9 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | L118 R141 S142 | L118-S249 WeakPolarHBondContact CG-O 3.28Å; L118-S249 PolarHBondContact N-O 2.97Å; R141-S249 CarbonylContact O-C 3.36Å; R141-S249 VanDerWaalsContact O-CA 3.29Å; R141-S249 WeakPolarHBondContact O-CA 3.16Å; S142-S249 WeakPolarHBondContact CA-OG 3.28Å; S142-S249 PolarHBondContact OG-OG 2.64Å |
| 250 | Y | 67.9 | Low | 64.5 | Low | 38 Ų | 38 | 56.1 Ų | 56.1 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 145.8 | -172.6 | -75 | -119.1 | 0 | 0 | 0 | 111 | L116 P117 I140 R141 W143 E248 | L116-Y250 CarbonylContact O-C 3.51Å; L116-Y250 WeakPolarHBondContact O-CA 3.36Å; L116-Y250 VanDerWaalsContact O-CB 3.29Å; L116-Y250 WeakPolarHBondContact O-CB 3.38Å; L116-Y250 WeakPolarHBondContact O-CD1 3.43Å; P117-Y250 HydrophobicContact CB-CE1 4.28Å; P117-Y250 HydrophobicContact CG-CD1 4.29Å; P117-Y250 HydrophobicContact CG-CE1 3.66Å; I140-Y250 WeakPolarHBondContact CA-O 3.02Å; R141-Y250 PolarHBondContact N-O 2.75Å; R141-Y250 PolarHBondContact O-N 3.2Å; W143-Y250 AromaticContact CD2-CD2 3.73Å; W143-Y250 HydrophobicContact CD2-CD2 3.73Å; W143-Y250 HydrophobicContact CD2-CE2 4.03Å; W143-Y250 HydrophobicContact CD2-CG 4.31Å; W143-Y250 AromaticContact CE2-CD2 3.45Å; W143-Y250 VanDerWaalsContact CE2-CD2 3.45Å; W143-Y250 AromaticContact CE2-CG 3.56Å; W143-Y250 HydrophobicContact CE3-CD2 4.15Å; W143-Y250 AromaticContact CE3-CE2 3.99Å; W143-Y250 HydrophobicContact CE3-CE2 3.99Å; W143-Y250 HydrophobicContact CG-CD2 4.21Å; W143-Y250 AromaticContact CH2-CD1 3.84Å; W143-Y250 HydrophobicContact CH2-CD1 3.84Å; W143-Y250 HydrophobicContact CH2-CD2 4.13Å; W143-Y250 AromaticContact CH2-CE1 3.81Å; W143-Y250 HydrophobicContact CH2-CE1 3.81Å; W143-Y250 HydrophobicContact CH2-CE2 4.14Å; W143-Y250 HydrophobicContact CH2-CG 4.05Å; W143-Y250 AromaticContact CZ2-CD1 3.57Å; W143-Y250 HydrophobicContact CZ2-CD1 3.57Å; W143-Y250 AromaticContact CZ2-CD2 3.69Å; W143-Y250 HydrophobicContact CZ2-CD2 3.69Å; W143-Y250 HydrophobicContact CZ2-CE1 4.04Å; W143-Y250 HydrophobicContact CZ2-CE2 4.17Å; W143-Y250 AromaticContact CZ2-CG 3.42Å; W143-Y250 HydrophobicContact CZ2-CG 3.42Å; W143-Y250 VanDerWaalsContact CZ2-CG 3.42Å; W143-Y250 HydrophobicContact CZ3-CD2 4.34Å; W143-Y250 HydrophobicContact CZ3-CE1 4.34Å; W143-Y250 HydrophobicContact CZ3-CE2 4.05Å; W143-Y250 AromaticContact NE1-CD2 3.75Å; W143-Y250 AromaticContact NE1-CG 3.82Å; E248-Y250 HydrophobicContact CB-CD2 4.39Å; E248-Y250 HydrophobicContact CB-CE2 3.78Å; E248-Y250 PolarHBondContact OE2-OH 2.96Å |
| 251 | Q | 79.4 | Confident | 67 | Low | 43 Ų | 43 | 57 Ų | 57 | 20% | 0.201 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 139.7 | 173.7 | 54.8 | 179.5 | -18.7 | 0 | 0 | 110.4 | W115 L116 L118 V253 | W115-Q251 WeakPolarHBondContact CA-O 3.46Å; L116-Q251 HydrophobicContact CB-CG 4.36Å; L116-Q251 PolarHBondContact N-O 3.04Å; L116-Q251 PolarHBondContact O-N 3.3Å; L118-Q251 PolarHBondContact O-NE2 3.09Å; Q251-V253 HydrophobicContact CG-CG1 4.14Å |
| 252 | A | 84.7 | Confident | 69.4 | Low | 4 Ų | 4 | 56.9 Ų | 56.9 | 3% | 0.033 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 111.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L113 L114 W115 P136 L137 | L113-A252 HydrophobicContact CD1-CB 3.7Å; L113-A252 HydrophobicContact CG-CB 4.25Å; L114-A252 CarbonylContact O-C 3.51Å; L114-A252 WeakPolarHBondContact O-CA 3.29Å; W115-A252 HydrophobicContact CD2-CB 3.93Å; W115-A252 HydrophobicContact CE3-CB 3.8Å; W115-A252 HydrophobicContact CH2-CB 3.77Å; W115-A252 HydrophobicContact CZ2-CB 3.92Å; W115-A252 HydrophobicContact CZ3-CB 3.72Å; P136-A252 CarbonylContact C-O 3.49Å; P136-A252 VanDerWaalsContact CA-O 3.26Å; P136-A252 WeakPolarHBondContact CA-O 3.36Å; L137-A252 PolarHBondContact N-O 2.83Å |
| 253 | V | 89.8 | Confident | 71.9 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 156.6 | 178.7 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | L114 L116 V122 G135 Q251 V255 | L114-V253 HydrophobicContact CB-CG2 4.13Å; L114-V253 HydrophobicContact CD2-CG2 4.44Å; L114-V253 HydrophobicContact CG-CG2 4.48Å; L114-V253 PolarHBondContact N-O 3.32Å; L114-V253 PolarHBondContact O-N 3.36Å; L116-V253 HydrophobicContact CD1-CG1 4.24Å; L116-V253 HydrophobicContact CD1-CG2 3.56Å; L116-V253 HydrophobicContact CG-CG2 3.92Å; V122-V253 HydrophobicContact CG2-CG2 4.3Å; G135-V253 WeakPolarHBondContact O-CA 3.41Å; Q251-V253 HydrophobicContact CG-CG1 4.14Å; V253-V255 HydrophobicContact CG2-CG1 4.17Å |
| 254 | K | 93.8 | Very high | 74.4 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 2% | 0.022 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128 | 176.6 | -53.2 | 159 | -69.6 | 164.1 | 0 | 108.7 | L112 H134 G135 P136 L137 A271 S272 M274 | L112-K254 HydrophobicContact CD2-CB 4.39Å; L112-K254 HydrophobicContact CD2-CD 4.44Å; L112-K254 HydrophobicContact CD2-CG 4.18Å; L112-K254 WeakPolarHBondContact O-CG 3.38Å; H134-K254 HydrophobicContact CB-CB 4.08Å; H134-K254 WeakPolarHBondContact CB-O 3.47Å; H134-K254 PolarHBondContact N-O 2.99Å; H134-K254 PolarHBondContact O-NZ 2.68Å; G135-K254 VanDerWaalsContact O-CE 3.28Å; G135-K254 WeakPolarHBondContact O-CE 3.47Å; G135-K254 PolarHBondContact O-N 3.35Å; P136-K254 WeakPolarHBondContact O-CE 3.49Å; L137-K254 HydrophobicContact CB-CD 4.14Å; L137-K254 HydrophobicContact CB-CG 3.92Å; L137-K254 HydrophobicContact CD1-CD 3.89Å; L137-K254 HydrophobicContact CD1-CG 4.23Å; K254-A271 WeakPolarHBondContact CD-O 3.15Å; K254-A271 PolarHBondContact NZ-O 2.99Å; K254-S272 PolarHBondContact NZ-O 3.22Å; K254-M274 PolarHBondContact NZ-O 2.56Å |
| 255 | V | 94.1 | Very high | 76.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 137.3 | -175 | -74.4 | 0 | 0 | 0 | 0 | 112 | L92 L95 L110 N111 L114 V122 V131 T132 V253 | L92-V255 HydrophobicContact CD2-CB 4.37Å; L92-V255 HydrophobicContact CD2-CG1 4.22Å; L92-V255 HydrophobicContact CD2-CG2 4.15Å; L95-V255 HydrophobicContact CD1-CB 4.11Å; L95-V255 HydrophobicContact CD1-CG2 3.53Å; L110-V255 WeakPolarHBondContact CA-O 3.33Å; N111-V255 HydrophobicContact CB-CG2 4.02Å; N111-V255 PolarHBondContact N-O 3.23Å; N111-V255 PolarHBondContact O-N 3.48Å; L114-V255 HydrophobicContact CB-CG2 4.19Å; L114-V255 HydrophobicContact CD2-CG1 4.42Å; L114-V255 HydrophobicContact CD2-CG2 3.91Å; V122-V255 HydrophobicContact CG1-CG1 4.32Å; V122-V255 HydrophobicContact CG2-CG1 3.75Å; V131-V255 HydrophobicContact CG1-CB 3.97Å; V131-V255 HydrophobicContact CG1-CG1 4.37Å; T132-V255 WeakPolarHBondContact O-CA 3.27Å; V253-V255 HydrophobicContact CG2-CG1 4.17Å |
| 256 | T | 95.2 | Very high | 79.5 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 152.8 | 178.8 | 60.7 | 0 | 0 | 0 | 0 | 112.1 | H109 L110 V131 T132 H134 A258 L260 A271 | H109-T256 WeakPolarHBondContact O-CA 2.89Å; L110-T256 HydrophobicContact CB-CG2 4.2Å; L110-T256 HydrophobicContact CD1-CG2 3.48Å; L110-T256 VanDerWaalsContact CD1-CG2 3.48Å; L110-T256 HydrophobicContact CG-CG2 4.37Å; V131-T256 CarbonylContact C-O 3.57Å; V131-T256 WeakPolarHBondContact CA-O 3.35Å; V131-T256 WeakPolarHBondContact CG1-O 3.49Å; T132-T256 PolarHBondContact N-O 2.8Å; T132-T256 PolarHBondContact O-N 2.62Å; H134-T256 VanDerWaalsContact NE2-CG2 3.3Å; H134-T256 WeakPolarHBondContact NE2-CG2 3.4Å; H134-T256 PolarHBondContact NE2-OG1 2.84Å; T256-A258 PolarHBondContact O-N 2.96Å; T256-L260 HydrophobicContact CG2-CD2 3.67Å; T256-A271 HydrophobicContact CG2-CB 4.19Å |
| 257 | W | 93.7 | Very high | 82.1 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.8 | 129.4 | 159.4 | 170 | 56 | 0 | 0 | 0 | 111.1 | F39 F41 C97 L105 P106 H109 K259 L260 A263 | F39-W257 HydrophobicContact CE2-CZ3 4.33Å; F39-W257 HydrophobicContact CZ-CZ3 4.19Å; F41-W257 HydrophobicContact CB-CH2 4.19Å; F41-W257 AromaticContact CD1-CH2 3.69Å; F41-W257 HydrophobicContact CD1-CH2 3.69Å; F41-W257 HydrophobicContact CD1-CZ2 4.15Å; F41-W257 AromaticContact CD2-CH2 3.88Å; F41-W257 HydrophobicContact CD2-CH2 3.88Å; F41-W257 AromaticContact CE1-CH2 3.96Å; F41-W257 HydrophobicContact CE1-CH2 3.96Å; F41-W257 AromaticContact CE1-CZ2 3.96Å; F41-W257 HydrophobicContact CE1-CZ2 3.96Å; F41-W257 HydrophobicContact CE2-CH2 4.16Å; F41-W257 HydrophobicContact CE2-CZ2 4.43Å; F41-W257 AromaticContact CG-CH2 3.64Å; F41-W257 HydrophobicContact CG-CH2 3.64Å; F41-W257 HydrophobicContact CG-CZ2 4.45Å; F41-W257 HydrophobicContact CZ-CH2 4.21Å; F41-W257 HydrophobicContact CZ-CZ2 4.13Å; C97-W257 PolarHBondContact SG-NE1 3.37Å; L105-W257 HydrophobicContact CD2-CH2 3.48Å; L105-W257 VanDerWaalsContact CD2-CH2 3.48Å; L105-W257 HydrophobicContact CD2-CZ2 3.85Å; L105-W257 HydrophobicContact CD2-CZ3 4.07Å; P106-W257 HydrophobicContact CG-CB 4.04Å; P106-W257 HydrophobicContact CG-CD2 4Å; P106-W257 HydrophobicContact CG-CG 3.72Å; H109-W257 AromaticContact CD2-CE3 3.85Å; H109-W257 PolarHBondContact O-N 3.02Å; W257-K259 HydrophobicContact CD2-CB 4.24Å; W257-K259 HydrophobicContact CE3-CB 4.47Å; W257-K259 HydrophobicContact CH2-CB 3.87Å; W257-K259 HydrophobicContact CZ2-CB 3.58Å; W257-K259 HydrophobicContact CZ2-CD 4.13Å; W257-K259 HydrophobicContact CZ2-CG 4.17Å; W257-K259 HydrophobicContact CZ3-CB 4.3Å; W257-K259 PolarHBondContact O-N 3.4Å; W257-L260 HydrophobicContact CE3-CB 4.11Å; W257-L260 WeakPolarHBondContact O-CB 3.29Å; W257-L260 PolarHBondContact O-N 3.21Å; W257-A263 HydrophobicContact CZ3-CB 4.2Å |
| 258 | A | 89.5 | Confident | 84.4 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 14% | 0.14 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -35.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S129 S130 T132 T256 L260 | S129-A258 WeakPolarHBondContact O-CB 3.44Å; S130-A258 WeakPolarHBondContact O-CB 3.37Å; S130-A258 PolarHBondContact O-N 2.97Å; T132-A258 WeakPolarHBondContact OG1-CA 3.32Å; T256-A258 PolarHBondContact O-N 2.96Å; A258-L260 PolarHBondContact O-N 2.91Å |
| 259 | K | 88.6 | Confident | 86.5 | Confident | 71 Ų | 71 | 31.4 Ų | 31.4 | 31% | 0.309 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 0.1 | 178.2 | -51.8 | -173.6 | -178.8 | -174.7 | 0 | 113.5 | F41 Q101 W257 R261 T262 A263 | F41-K259 HydrophobicContact CE1-CD 4.46Å; F41-K259 HydrophobicContact CE2-CB 4.08Å; F41-K259 HydrophobicContact CE2-CD 3.66Å; F41-K259 HydrophobicContact CZ-CD 3.42Å; F41-K259 VanDerWaalsContact CZ-CD 3.42Å; Q101-K259 PolarHBondContact O-NZ 2.84Å; Q101-K259 VanDerWaalsContact O-NZ 3.17Å; W257-K259 HydrophobicContact CD2-CB 4.24Å; W257-K259 HydrophobicContact CE3-CB 4.47Å; W257-K259 HydrophobicContact CH2-CB 3.87Å; W257-K259 HydrophobicContact CZ2-CB 3.58Å; W257-K259 HydrophobicContact CZ2-CD 4.13Å; W257-K259 HydrophobicContact CZ2-CG 4.17Å; W257-K259 HydrophobicContact CZ3-CB 4.3Å; W257-K259 PolarHBondContact O-N 3.4Å; K259-R261 PolarHBondContact O-N 3.29Å; K259-T262 PolarHBondContact O-N 3.34Å; K259-T262 VanDerWaalsContact O-N 3.11Å; K259-T262 PolarHBondContact O-OG1 3.16Å; K259-A263 PolarHBondContact O-N 2.93Å; K259-A263 VanDerWaalsContact O-N 3.15Å |
| 260 | L | 89.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.1 | -28.2 | 172.4 | -172.9 | 60.1 | 0 | 0 | 0 | 112 | F39 L48 T256 W257 A258 T262 A263 A264 I267 | F39-L260 HydrophobicContact CD2-CD1 4.2Å; F39-L260 HydrophobicContact CE2-CD1 3.51Å; F39-L260 HydrophobicContact CZ-CD1 3.96Å; L48-L260 HydrophobicContact CD1-CD1 3.98Å; T256-L260 HydrophobicContact CG2-CD2 3.67Å; W257-L260 HydrophobicContact CE3-CB 4.11Å; W257-L260 WeakPolarHBondContact O-CB 3.29Å; W257-L260 PolarHBondContact O-N 3.21Å; A258-L260 PolarHBondContact O-N 2.91Å; L260-T262 VanDerWaalsContact C-N 3.32Å; L260-T262 PolarHBondContact O-N 3.4Å; L260-A263 PolarHBondContact O-N 3.46Å; L260-A264 HydrophobicContact CD1-CB 4.19Å; L260-A264 CarbonylContact O-C 3.5Å; L260-A264 PolarHBondContact O-N 3.41Å; L260-I267 HydrophobicContact CD1-CG2 4.27Å; L260-I267 HydrophobicContact CD2-CG2 4.02Å; L260-I267 HydrophobicContact CG-CG2 4.37Å |
| 261 | R | 87 | Confident | 89.3 | Confident | 151 Ų | 151 | 28.3 Ų | 28.3 | 57% | 0.57 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -58.1 | -39.3 | 174.5 | -174.6 | -176.8 | -71.1 | 178.2 | -1.9 | 113.1 | K259 P265 F268 | K259-R261 PolarHBondContact O-N 3.29Å; R261-P265 WeakPolarHBondContact O-CA 3.45Å; R261-P265 WeakPolarHBondContact O-CG 3.47Å; R261-F268 HydrophobicContact CB-CB 4.47Å; R261-F268 HydrophobicContact CB-CD1 4.22Å; R261-F268 HydrophobicContact CB-CD2 3.69Å; R261-F268 HydrophobicContact CB-CE1 4.48Å; R261-F268 HydrophobicContact CB-CE2 3.96Å; R261-F268 HydrophobicContact CB-CG 3.85Å; R261-F268 HydrophobicContact CB-CZ 4.37Å; R261-F268 HydrophobicContact CG-CD1 4.08Å; R261-F268 HydrophobicContact CG-CD2 4.44Å; R261-F268 HydrophobicContact CG-CE1 4.3Å; R261-F268 HydrophobicContact CG-CG 4.18Å |
| 262 | T | 79.8 | Confident | 90 | Very high | 103 Ų | 103 | 29 Ų | 29 | 63% | 0.632 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -87.5 | -33 | 179.9 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | K259 L260 | K259-T262 PolarHBondContact O-N 3.34Å; K259-T262 VanDerWaalsContact O-N 3.11Å; K259-T262 PolarHBondContact O-OG1 3.16Å; L260-T262 VanDerWaalsContact C-N 3.32Å; L260-T262 PolarHBondContact O-N 3.4Å |
| 263 | A | 82.1 | Confident | 90.4 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -80.6 | -26.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F39 S40 F41 W257 K259 L260 | F39-A263 HydrophobicContact CD2-CB 4.02Å; F39-A263 HydrophobicContact CE2-CB 3.59Å; S40-A263 PolarHBondContact N-O 3.12Å; S40-A263 WeakPolarHBondContact O-CA 3.34Å; S40-A263 VanDerWaalsContact O-CB 3.25Å; S40-A263 WeakPolarHBondContact O-CB 3.48Å; F41-A263 HydrophobicContact CB-CB 4.05Å; F41-A263 HydrophobicContact CD2-CB 4.24Å; W257-A263 HydrophobicContact CZ3-CB 4.2Å; K259-A263 PolarHBondContact O-N 2.93Å; K259-A263 VanDerWaalsContact O-N 3.15Å; L260-A263 PolarHBondContact O-N 3.46Å |
| 264 | A | 86.6 | Confident | 90.5 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | trans | -156.1 | 82.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F39 Y75 L260 Q266 I267 F268 | F39-A264 HydrophobicContact CD2-CB 3.81Å; F39-A264 HydrophobicContact CE2-CB 4.49Å; Y75-A264 HydrophobicContact CE1-CB 3.94Å; L260-A264 HydrophobicContact CD1-CB 4.19Å; L260-A264 CarbonylContact O-C 3.5Å; L260-A264 PolarHBondContact O-N 3.41Å; A264-Q266 VanDerWaalsContact C-N 3.29Å; A264-Q266 PolarHBondContact O-N 3.16Å; A264-I267 HydrophobicContact CB-CB 3.79Å; A264-I267 HydrophobicContact CB-CG1 3.8Å; A264-I267 PolarHBondContact O-N 3.37Å; A264-I267 VanDerWaalsContact O-N 3.12Å; A264-F268 PolarHBondContact O-N 2.79Å | ||
| 265 | P | 86.5 | Confident | 90.4 | Very high | 63 Ų | 63 | 37.2 Ų | 37.2 | 41% | 0.409 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -54.5 | -39.7 | -175.9 | -25.6 | 32.7 | 0 | 0 | 0 | 114.4 | R261 F268 Q269 | R261-P265 WeakPolarHBondContact O-CA 3.45Å; R261-P265 WeakPolarHBondContact O-CG 3.47Å; P265-F268 PolarHBondContact O-N 2.87Å; P265-Q269 WeakPolarHBondContact O-CB 3.25Å; P265-Q269 PolarHBondContact O-N 2.93Å |
| 266 | Q | 89.1 | Confident | 90 | Very high | 41 Ų | 41 | 37.3 Ų | 37.3 | 19% | 0.192 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.4 | -36 | -179.2 | -65.1 | 82.8 | -12.9 | 0 | 0 | 112.2 | L73 Y75 A264 Q269 L270 | L73-Q266 HydrophobicContact CD1-CB 4.2Å; L73-Q266 HydrophobicContact CD2-CB 4.39Å; Y75-Q266 HydrophobicContact CE2-CB 4.16Å; Y75-Q266 PolarHBondContact OH-OE1 3.41Å; A264-Q266 VanDerWaalsContact C-N 3.29Å; A264-Q266 PolarHBondContact O-N 3.16Å; Q266-Q269 PolarHBondContact O-N 3.13Å; Q266-L270 WeakPolarHBondContact O-CB 3.45Å; Q266-L270 PolarHBondContact O-N 2.88Å |
| 267 | I | 92.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.7 | -43.9 | 173.6 | -65.3 | -60.3 | 0 | 0 | 0 | 110.3 | L48 F65 A69 L73 Y75 L260 A264 Q269 L270 A271 | L48-I267 HydrophobicContact CD1-CG2 4.02Å; L48-I267 HydrophobicContact CD2-CD1 4.04Å; L48-I267 HydrophobicContact CD2-CG1 4.22Å; L48-I267 HydrophobicContact CD2-CG2 3.66Å; F65-I267 HydrophobicContact CE1-CD1 4.33Å; F65-I267 HydrophobicContact CE1-CG2 4.25Å; F65-I267 HydrophobicContact CZ-CG2 3.91Å; A69-I267 HydrophobicContact CB-CD1 3.69Å; L73-I267 HydrophobicContact CD1-CD1 4.26Å; Y75-I267 HydrophobicContact CD1-CG1 4.24Å; Y75-I267 HydrophobicContact CD2-CD1 3.54Å; Y75-I267 HydrophobicContact CD2-CG1 3.79Å; Y75-I267 HydrophobicContact CE1-CG1 4.15Å; Y75-I267 HydrophobicContact CE2-CD1 3.88Å; Y75-I267 HydrophobicContact CE2-CG1 3.67Å; Y75-I267 HydrophobicContact CG-CD1 3.91Å; Y75-I267 HydrophobicContact CG-CG1 4.06Å; L260-I267 HydrophobicContact CD1-CG2 4.27Å; L260-I267 HydrophobicContact CD2-CG2 4.02Å; L260-I267 HydrophobicContact CG-CG2 4.37Å; A264-I267 HydrophobicContact CB-CB 3.79Å; A264-I267 HydrophobicContact CB-CG1 3.8Å; A264-I267 PolarHBondContact O-N 3.37Å; A264-I267 VanDerWaalsContact O-N 3.12Å; I267-Q269 VanDerWaalsContact C-N 3.33Å; I267-Q269 PolarHBondContact O-N 3.35Å; I267-L270 PolarHBondContact O-N 3.16Å; I267-A271 PolarHBondContact O-N 2.98Å |
| 268 | F | 92 | Very high | 88.5 | Confident | 21 Ų | 21 | 42.9 Ų | 42.9 | 9% | 0.092 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 174.4 | -176.9 | -84.1 | 0 | 0 | 0 | 111.6 | T132 H134 R261 A264 P265 S272 | T132-F268 HydrophobicContact CG2-CE2 3.95Å; T132-F268 HydrophobicContact CG2-CZ 3.94Å; H134-F268 AromaticContact CE1-CD2 3.64Å; H134-F268 AromaticContact CE1-CE1 3.85Å; H134-F268 AromaticContact CE1-CE2 3.34Å; H134-F268 WeakPolarHBondContact CE1-CE2 3.29Å; H134-F268 AromaticContact CE1-CZ 3.43Å; H134-F268 VanDerWaalsContact CE1-CZ 3.43Å; H134-F268 WeakPolarHBondContact CE1-CZ 3.24Å; H134-F268 AromaticContact NE2-CD2 3.96Å; H134-F268 AromaticContact NE2-CE2 3.6Å; R261-F268 HydrophobicContact CB-CB 4.47Å; R261-F268 HydrophobicContact CB-CD1 4.22Å; R261-F268 HydrophobicContact CB-CD2 3.69Å; R261-F268 HydrophobicContact CB-CE1 4.48Å; R261-F268 HydrophobicContact CB-CE2 3.96Å; R261-F268 HydrophobicContact CB-CG 3.85Å; R261-F268 HydrophobicContact CB-CZ 4.37Å; R261-F268 HydrophobicContact CG-CD1 4.08Å; R261-F268 HydrophobicContact CG-CD2 4.44Å; R261-F268 HydrophobicContact CG-CE1 4.3Å; R261-F268 HydrophobicContact CG-CG 4.18Å; A264-F268 PolarHBondContact O-N 2.79Å; P265-F268 PolarHBondContact O-N 2.87Å; F268-S272 WeakPolarHBondContact O-CB 3Å; F268-S272 PolarHBondContact O-N 2.74Å |
| 269 | Q | 92.7 | Very high | 88.1 | Confident | 58 Ų | 58 | 47.2 Ų | 47.2 | 27% | 0.271 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.4 | -42.1 | 175.3 | -173.1 | -173.2 | -75 | 0 | 0 | 112.4 | P265 Q266 I267 S272 K273 W318 V320 | P265-Q269 WeakPolarHBondContact O-CB 3.25Å; P265-Q269 PolarHBondContact O-N 2.93Å; Q266-Q269 PolarHBondContact O-N 3.13Å; I267-Q269 VanDerWaalsContact C-N 3.33Å; I267-Q269 PolarHBondContact O-N 3.35Å; Q269-S272 WeakPolarHBondContact O-CB 3.36Å; Q269-S272 PolarHBondContact O-N 3.16Å; Q269-K273 HydrophobicContact CG-CD 3.88Å; Q269-K273 HydrophobicContact CG-CG 4.35Å; Q269-K273 VanDerWaalsContact NE2-NZ 3.16Å; Q269-K273 PolarHBondContact O-N 2.88Å; Q269-W318 PolarHBondContact NE2-O 3.46Å; Q269-V320 PolarHBondContact NE2-O 2.85Å |
| 270 | L | 94.7 | Very high | 87.9 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 178.7 | 178.8 | 59 | 0 | 0 | 0 | 111.2 | F65 L68 A69 L73 Q266 I267 S272 K273 M274 W318 T319 | F65-L270 HydrophobicContact CD1-CD2 4.31Å; F65-L270 HydrophobicContact CD2-CD2 3.87Å; F65-L270 HydrophobicContact CD2-CG 3.85Å; F65-L270 HydrophobicContact CE1-CD2 4.15Å; F65-L270 HydrophobicContact CE2-CB 3.99Å; F65-L270 HydrophobicContact CE2-CD2 3.72Å; F65-L270 HydrophobicContact CE2-CG 3.54Å; F65-L270 HydrophobicContact CG-CD2 4.17Å; F65-L270 HydrophobicContact CZ-CB 4.26Å; F65-L270 HydrophobicContact CZ-CD2 3.86Å; F65-L270 HydrophobicContact CZ-CG 4.07Å; L68-L270 HydrophobicContact CB-CD1 4.42Å; L68-L270 HydrophobicContact CB-CD2 3.88Å; L68-L270 HydrophobicContact CD1-CD1 3.99Å; A69-L270 HydrophobicContact CB-CD2 4.43Å; L73-L270 HydrophobicContact CD1-CB 4.12Å; L73-L270 HydrophobicContact CD1-CD2 3.82Å; Q266-L270 WeakPolarHBondContact O-CB 3.45Å; Q266-L270 PolarHBondContact O-N 2.88Å; I267-L270 PolarHBondContact O-N 3.16Å; L270-S272 VanDerWaalsContact C-N 3.31Å; L270-S272 PolarHBondContact O-N 2.95Å; L270-K273 PolarHBondContact O-N 3.44Å; L270-M274 WeakPolarHBondContact O-CB 3.46Å; L270-M274 PolarHBondContact O-N 3.25Å; L270-W318 HydrophobicContact CD1-CB 3.94Å; L270-W318 HydrophobicContact CD1-CE3 4.49Å; L270-T319 HydrophobicContact CD1-CG2 4.21Å |
| 271 | A | 93.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F65 L110 K254 T256 I267 | F65-A271 HydrophobicContact CE2-CB 4Å; L110-A271 HydrophobicContact CD1-CB 4.08Å; K254-A271 WeakPolarHBondContact CD-O 3.15Å; K254-A271 PolarHBondContact NZ-O 2.99Å; T256-A271 HydrophobicContact CG2-CB 4.19Å; I267-A271 PolarHBondContact O-N 2.98Å |
| 272 | S | 93.1 | Very high | 87.1 | Confident | 57 Ų | 57 | 40.7 Ų | 40.7 | 40% | 0.399 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.6 | -48.7 | 175.8 | -172.6 | 0 | 0 | 0 | 0 | 112.2 | H134 K254 F268 Q269 L270 | H134-S272 VanDerWaalsContact ND1-CA 3.27Å; H134-S272 WeakPolarHBondContact ND1-CA 3.34Å; H134-S272 WeakPolarHBondContact ND1-CB 3.38Å; H134-S272 PolarHBondContact ND1-N 2.65Å; K254-S272 PolarHBondContact NZ-O 3.22Å; F268-S272 WeakPolarHBondContact O-CB 3Å; F268-S272 PolarHBondContact O-N 2.74Å; Q269-S272 WeakPolarHBondContact O-CB 3.36Å; Q269-S272 PolarHBondContact O-N 3.16Å; L270-S272 VanDerWaalsContact C-N 3.31Å; L270-S272 PolarHBondContact O-N 2.95Å |
| 273 | K | 93.5 | Very high | 87.2 | Confident | 76 Ų | 76 | 42.6 Ų | 42.6 | 33% | 0.33 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -85.2 | -20.3 | -171.1 | -67.8 | -178.1 | 177.1 | 176 | 0 | 115.8 | Q269 L270 Y275 S317 W318 | Q269-K273 HydrophobicContact CG-CD 3.88Å; Q269-K273 HydrophobicContact CG-CG 4.35Å; Q269-K273 VanDerWaalsContact NE2-NZ 3.16Å; Q269-K273 PolarHBondContact O-N 2.88Å; L270-K273 PolarHBondContact O-N 3.44Å; K273-Y275 PolarHBondContact O-N 2.9Å; K273-S317 WeakPolarHBondContact CD-O 3.41Å; K273-W318 HydrophobicContact CB-CB 4.08Å; K273-W318 HydrophobicContact CB-CG 4.3Å; K273-W318 WeakPolarHBondContact CD-O 3.36Å; K273-W318 PolarHBondContact O-NE1 3.07Å |
| 274 | M | 93.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -64.1 | 127.1 | -179.1 | -174.4 | 171.2 | 179.2 | 0 | 0 | 111.7 | V61 L64 F65 L137 K254 L270 M276 W318 | V61-M274 HydrophobicContact CG1-CE 3.99Å; L64-M274 HydrophobicContact CB-CE 3.69Å; L64-M274 HydrophobicContact CD1-CE 4.08Å; F65-M274 HydrophobicContact CB-SD 4.38Å; F65-M274 HydrophobicContact CD2-SD 4.13Å; L137-M274 HydrophobicContact CD1-CE 4.47Å; L137-M274 HydrophobicContact CD1-CG 4.05Å; K254-M274 PolarHBondContact NZ-O 2.56Å; L270-M274 WeakPolarHBondContact O-CB 3.46Å; L270-M274 PolarHBondContact O-N 3.25Å; M274-M276 HydrophobicContact CE-SD 4.31Å; M274-W318 HydrophobicContact CB-CD2 4.39Å; M274-W318 HydrophobicContact CB-CE3 4.3Å; M274-W318 HydrophobicContact CB-CZ3 4.48Å; M274-W318 HydrophobicContact CE-CZ3 4.4Å; M274-W318 HydrophobicContact CG-CE3 4.09Å; M274-W318 HydrophobicContact CG-CH2 3.93Å; M274-W318 HydrophobicContact CG-CZ2 4.37Å; M274-W318 HydrophobicContact CG-CZ3 3.78Å; M274-W318 HydrophobicContact SD-CZ3 4.44Å | ||
| 275 | Y | 90.6 | Very high | 87.1 | Confident | 108 Ų | 108 | 43.5 Ų | 43.5 | 42% | 0.424 | 23% | 0.228 | S | C | . | . | trans | -153.8 | 141.9 | -177.8 | 170.2 | -92.3 | 0 | 0 | 0 | 112.1 | L137 K273 K314 W318 | L137-Y275 CarbonylContact O-C 3.44Å; L137-Y275 WeakPolarHBondContact O-CA 3.19Å; L137-Y275 VanDerWaalsContact O-CD2 3.27Å; L137-Y275 WeakPolarHBondContact O-CD2 3.39Å; K273-Y275 PolarHBondContact O-N 2.9Å; Y275-K314 WeakPolarHBondContact O-CE 3.3Å; Y275-W318 VanDerWaalsContact O-CZ2 3.26Å; Y275-W318 WeakPolarHBondContact O-CZ2 3.34Å | ||
| 276 | M | 86.6 | Confident | 86.9 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | trans | -138.2 | 148.3 | -179.4 | -69.8 | 164.1 | 50 | 0 | 0 | 111.7 | V61 L64 L137 G138 P139 M274 E280 L281 L284 | V61-M276 HydrophobicContact CG2-SD 4.39Å; L64-M276 HydrophobicContact CD1-SD 3.9Å; L137-M276 PolarHBondContact O-N 3.33Å; G138-M276 WeakPolarHBondContact CA-O 3.43Å; P139-M276 WeakPolarHBondContact CD-O 3.3Å; M274-M276 HydrophobicContact CE-SD 4.31Å; M276-E280 VanDerWaalsContact CA-OE2 3.26Å; M276-E280 WeakPolarHBondContact CA-OE2 3.35Å; M276-E280 HydrophobicContact CB-CB 4.46Å; M276-L281 HydrophobicContact CE-CB 3.9Å; M276-L281 HydrophobicContact CE-CD1 3.54Å; M276-L281 HydrophobicContact CE-CG 4.33Å; M276-L284 HydrophobicContact CE-CD1 3.36Å; M276-L284 HydrophobicContact SD-CD1 4.47Å | ||
| 277 | S | 82.5 | Confident | 86.5 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 22% | 0.217 | 24% | 0.237 | C | C | . | . | trans | -75.6 | 171.9 | 172 | 81.3 | 0 | 0 | 0 | 0 | 111.7 | D279 E280 L281 | S277-D279 VanDerWaalsContact C-N 3.27Å; S277-D279 PolarHBondContact O-N 2.86Å; S277-D279 PolarHBondContact OG-N 3.39Å; S277-D279 PolarHBondContact OG-OD2 2.83Å; S277-E280 PolarHBondContact N-OE2 3.06Å; S277-E280 WeakPolarHBondContact OG-CG 3.35Å; S277-E280 PolarHBondContact OG-N 3.46Å; S277-L281 PolarHBondContact O-N 2.89Å | ||
| 278 | H | 75 | Confident | 85.8 | Confident | 88 Ų | 88 | 46.1 Ų | 46.1 | 41% | 0.407 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 173.3 | -162.9 | 90.6 | 0 | 0 | 0 | 110.4 | P139 L281 G282 | P139-H278 HydrophobicContact CG-CB 3.64Å; H278-L281 PolarHBondContact O-N 2.9Å; H278-G282 PolarHBondContact O-N 3.39Å |
| 279 | D | 79.3 | Confident | 84.9 | Confident | 109 Ų | 109 | 50.6 Ų | 50.6 | 58% | 0.583 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -70.6 | -40.9 | -173.6 | -36.8 | -72.3 | 0 | 0 | 0 | 110.6 | S277 L281 G282 E283 | S277-D279 VanDerWaalsContact C-N 3.27Å; S277-D279 PolarHBondContact O-N 2.86Å; S277-D279 PolarHBondContact OG-N 3.39Å; S277-D279 PolarHBondContact OG-OD2 2.83Å; D279-L281 PolarHBondContact O-N 2.94Å; D279-G282 PolarHBondContact O-N 3Å; D279-E283 WeakPolarHBondContact O-CB 3.48Å; D279-E283 WeakPolarHBondContact O-CG 3.41Å; D279-E283 PolarHBondContact O-N 2.92Å |
| 280 | E | 85.4 | Confident | 83.8 | Confident | 32 Ų | 32 | 53.4 Ų | 53.4 | 15% | 0.15 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 174.5 | -73.4 | 174.3 | 139.2 | 0 | 0 | 112.3 | M276 S277 L284 K314 | M276-E280 VanDerWaalsContact CA-OE2 3.26Å; M276-E280 WeakPolarHBondContact CA-OE2 3.35Å; M276-E280 HydrophobicContact CB-CB 4.46Å; S277-E280 PolarHBondContact N-OE2 3.06Å; S277-E280 WeakPolarHBondContact OG-CG 3.35Å; S277-E280 PolarHBondContact OG-N 3.46Å; E280-L284 VanDerWaalsContact O-CB 3.3Å; E280-L284 WeakPolarHBondContact O-CB 3.31Å; E280-L284 WeakPolarHBondContact O-CD1 3.42Å; E280-L284 VanDerWaalsContact O-CG 3.24Å; E280-L284 WeakPolarHBondContact O-CG 3.5Å; E280-L284 PolarHBondContact O-N 3.28Å; E280-K314 IonicContact OE1-NZ 3.69Å; E280-K314 PolarHBondContact OE1-NZ 2.97Å; E280-K314 IonicContact OE2-NZ 2.71Å; E280-K314 PolarHBondContact OE2-NZ 3.29Å |
| 281 | L | 81.5 | Confident | 82.4 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 176.5 | -171.4 | 65.2 | 0 | 0 | 0 | 110.9 | E57 V61 M276 S277 H278 D279 L284 V285 | E57-L281 HydrophobicContact CB-CD1 4.14Å; E57-L281 HydrophobicContact CB-CG 4.48Å; V61-L281 HydrophobicContact CG2-CD1 3.91Å; M276-L281 HydrophobicContact CE-CB 3.9Å; M276-L281 HydrophobicContact CE-CD1 3.54Å; M276-L281 HydrophobicContact CE-CG 4.33Å; S277-L281 PolarHBondContact O-N 2.89Å; H278-L281 PolarHBondContact O-N 2.9Å; D279-L281 PolarHBondContact O-N 2.94Å; L281-L284 PolarHBondContact O-N 3.28Å; L281-V285 WeakPolarHBondContact O-CB 3.26Å; L281-V285 VanDerWaalsContact O-CG2 3.25Å; L281-V285 WeakPolarHBondContact O-CG2 3.43Å; L281-V285 PolarHBondContact O-N 3.16Å |
| 282 | G | 77.9 | Confident | 80.6 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 33% | 0.33 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.1 | -49 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H278 D279 V285 H286 | H278-G282 PolarHBondContact O-N 3.39Å; D279-G282 PolarHBondContact O-N 3Å; G282-V285 PolarHBondContact O-N 2.83Å; G282-H286 VanDerWaalsContact O-CB 3.24Å; G282-H286 WeakPolarHBondContact O-CB 3.41Å; G282-H286 PolarHBondContact O-N 2.9Å |
| 283 | E | 83 | Confident | 79 | Confident | 142 Ų | 142 | 64.1 Ų | 64.1 | 66% | 0.664 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 175.9 | -77 | -173 | 168.1 | 0 | 0 | 111.9 | D279 H286 S287 | D279-E283 WeakPolarHBondContact O-CB 3.48Å; D279-E283 WeakPolarHBondContact O-CG 3.41Å; D279-E283 PolarHBondContact O-N 2.92Å; E283-H286 PolarHBondContact O-N 2.93Å; E283-S287 WeakPolarHBondContact O-CB 3.45Å; E283-S287 PolarHBondContact O-N 3.1Å |
| 284 | L | 84.3 | Confident | 77.5 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 4% | 0.037 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 175.8 | -83.2 | 166.8 | 0 | 0 | 0 | 112 | I60 L64 M276 E280 L281 A288 V303 W307 | I60-L284 HydrophobicContact CG2-CB 4.24Å; I60-L284 HydrophobicContact CG2-CD1 4.29Å; I60-L284 HydrophobicContact CG2-CD2 4.02Å; I60-L284 HydrophobicContact CG2-CG 4.44Å; L64-L284 HydrophobicContact CD1-CD1 4.18Å; M276-L284 HydrophobicContact CE-CD1 3.36Å; M276-L284 HydrophobicContact SD-CD1 4.47Å; E280-L284 VanDerWaalsContact O-CB 3.3Å; E280-L284 WeakPolarHBondContact O-CB 3.31Å; E280-L284 WeakPolarHBondContact O-CD1 3.42Å; E280-L284 VanDerWaalsContact O-CG 3.24Å; E280-L284 WeakPolarHBondContact O-CG 3.5Å; E280-L284 PolarHBondContact O-N 3.28Å; L281-L284 PolarHBondContact O-N 3.28Å; L284-A288 VanDerWaalsContact O-CB 3.3Å; L284-A288 WeakPolarHBondContact O-CB 3.13Å; L284-A288 PolarHBondContact O-N 3.36Å; L284-V303 HydrophobicContact CD2-CG1 3.53Å; L284-W307 HydrophobicContact CD1-CG 4.25Å; L284-W307 HydrophobicContact CD2-CB 3.75Å; L284-W307 HydrophobicContact CD2-CG 3.85Å; L284-W307 HydrophobicContact CG-CG 4.39Å |
| 285 | V | 82.2 | Confident | 76.9 | Confident | 23 Ų | 23 | 72.5 Ų | 72.5 | 14% | 0.139 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 111 | E57 I60 L281 G282 A288 L289 | E57-V285 HydrophobicContact CB-CG2 3.36Å; I60-V285 HydrophobicContact CD1-CG2 4.26Å; L281-V285 WeakPolarHBondContact O-CB 3.26Å; L281-V285 VanDerWaalsContact O-CG2 3.25Å; L281-V285 WeakPolarHBondContact O-CG2 3.43Å; L281-V285 PolarHBondContact O-N 3.16Å; G282-V285 PolarHBondContact O-N 2.83Å; V285-A288 CarbonylContact O-C 3.57Å; V285-A288 PolarHBondContact O-N 3.46Å; V285-L289 HydrophobicContact CG1-CD1 3.76Å; V285-L289 HydrophobicContact CG1-CG 4.37Å; V285-L289 WeakPolarHBondContact O-CB 3.45Å; V285-L289 VanDerWaalsContact O-CG 3.25Å; V285-L289 WeakPolarHBondContact O-CG 3.4Å; V285-L289 PolarHBondContact O-N 3.12Å |
| 286 | H | 81.7 | Confident | 76.4 | Confident | 116 Ų | 116 | 75.7 Ų | 75.7 | 54% | 0.537 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 177.7 | -169.3 | 63.3 | 0 | 0 | 0 | 111.8 | G282 E283 A288 L289 L290 | G282-H286 VanDerWaalsContact O-CB 3.24Å; G282-H286 WeakPolarHBondContact O-CB 3.41Å; G282-H286 PolarHBondContact O-N 2.9Å; E283-H286 PolarHBondContact O-N 2.93Å; H286-A288 VanDerWaalsContact C-N 3.26Å; H286-A288 PolarHBondContact O-N 3.42Å; H286-L289 PolarHBondContact O-N 3.46Å; H286-L290 WeakPolarHBondContact O-CG 3.44Å; H286-L290 PolarHBondContact O-N 2.8Å |
| 287 | S | 79.9 | Confident | 76.3 | Confident | 37 Ų | 37 | 79.9 Ų | 79.9 | 26% | 0.259 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -55.4 | -40.6 | 173 | -173.1 | 0 | 0 | 0 | 0 | 112 | E283 D291 | E283-S287 WeakPolarHBondContact O-CB 3.45Å; E283-S287 PolarHBondContact O-N 3.1Å; S287-D291 PolarHBondContact O-N 3.08Å |
| 288 | A | 78.2 | Confident | 76.4 | Confident | 6 Ų | 6 | 80.2 Ų | 80.2 | 5% | 0.05 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -76.8 | -16.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | I60 L284 V285 H286 Y300 V303 | I60-A288 HydrophobicContact CD1-CB 3.63Å; L284-A288 VanDerWaalsContact O-CB 3.3Å; L284-A288 WeakPolarHBondContact O-CB 3.13Å; L284-A288 PolarHBondContact O-N 3.36Å; V285-A288 CarbonylContact O-C 3.57Å; V285-A288 PolarHBondContact O-N 3.46Å; H286-A288 VanDerWaalsContact C-N 3.26Å; H286-A288 PolarHBondContact O-N 3.42Å; A288-Y300 HydrophobicContact CB-CD1 3.74Å; A288-Y300 HydrophobicContact CB-CE1 3.9Å; A288-V303 HydrophobicContact CB-CG1 4.49Å; A288-V303 HydrophobicContact CB-CG2 4.25Å |
| 289 | L | 73.2 | Confident | 77 | Confident | 115 Ų | 115 | 76.3 Ų | 76.3 | 60% | 0.602 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -93.8 | -17.5 | 174 | -72.2 | 169.6 | 0 | 0 | 0 | 112.6 | V285 H286 | V285-L289 HydrophobicContact CG1-CD1 3.76Å; V285-L289 HydrophobicContact CG1-CG 4.37Å; V285-L289 WeakPolarHBondContact O-CB 3.45Å; V285-L289 VanDerWaalsContact O-CG 3.25Å; V285-L289 WeakPolarHBondContact O-CG 3.4Å; V285-L289 PolarHBondContact O-N 3.12Å; H286-L289 PolarHBondContact O-N 3.46Å |
| 290 | L | 70.5 | Confident | 77.6 | Confident | 118 Ų | 118 | 71.7 Ų | 71.7 | 62% | 0.618 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -80.9 | -34.5 | 173.9 | -73.1 | 169.7 | 0 | 0 | 0 | 112.8 | H286 S292 | H286-L290 WeakPolarHBondContact O-CG 3.44Å; H286-L290 PolarHBondContact O-N 2.8Å; L290-S292 PolarHBondContact O-N 3.49Å; L290-S292 VanDerWaalsContact O-N 3.07Å |
| 291 | D | 65.1 | Low | 77.8 | Confident | 68 Ų | 68 | 74.1 Ų | 74.1 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | trans | -72.5 | 95.2 | 173.6 | -108.3 | -46.7 | 0 | 0 | 0 | 109.4 | S287 N293 T299 R306 | S287-D291 PolarHBondContact O-N 3.08Å; D291-N293 PolarHBondContact O-N 3.3Å; D291-T299 HydrophobicContact CB-CG2 3.52Å; D291-R306 IonicContact OD2-NH1 2.76Å; D291-R306 IonicContact OD2-NH2 3.17Å; D291-R306 PolarHBondContact OD2-NH2 2.93Å | ||
| 292 | S | 55.7 | Low | 78.2 | Confident | 124 Ų | 124 | 78.2 Ų | 78.2 | 87% | 0.867 | 41% | 0.407 | S | S | * | . | trans | -73.8 | 27.8 | -174.2 | 55.1 | 0 | 0 | 0 | 0 | 115 | L290 | L290-S292 PolarHBondContact O-N 3.49Å; L290-S292 VanDerWaalsContact O-N 3.07Å | ||
| 293 | N | 59.6 | Low | 78.8 | Confident | 92 Ų | 92 | 76.9 Ų | 76.9 | 49% | 0.492 | 39% | 0.393 | S | S | . | . | trans | -82.6 | 148.4 | -169.7 | -147.2 | -20.7 | 0 | 0 | 0 | 112.4 | D291 D295 | D291-N293 PolarHBondContact O-N 3.3Å; N293-D295 PolarHBondContact O-N 3.1Å | ||
| 294 | I | 62.1 | Low | 79.2 | Confident | 166 Ų | 166 | 70.1 Ų | 70.1 | 85% | 0.851 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -65.2 | -43 | -168.7 | -62.2 | 174.9 | 0 | 0 | 0 | 111.5 | R296 | I294-R296 PolarHBondContact O-N 3.11Š|
| 295 | D | 80.1 | Confident | 79.7 | Confident | 85 Ų | 85 | 70.6 Ų | 70.6 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | trans | -85.7 | 90.4 | 174.4 | -176.2 | -8.4 | 0 | 0 | 0 | 110.8 | N293 Q297 S298 T299 | N293-D295 PolarHBondContact O-N 3.1Å; D295-Q297 VanDerWaalsContact C-N 3.26Å; D295-Q297 PolarHBondContact O-N 3.12Å; D295-Q297 WeakPolarHBondContact OD1-CA 3.41Å; D295-Q297 WeakPolarHBondContact OD1-CB 3.35Å; D295-Q297 PolarHBondContact OD1-N 2.97Å; D295-S298 WeakPolarHBondContact CB-OG 3.36Å; D295-S298 PolarHBondContact O-N 3.42Å; D295-S298 PolarHBondContact O-OG 3.48Å; D295-S298 PolarHBondContact OD1-N 3.35Å; D295-S298 WeakPolarHBondContact OD2-CB 3.21Å; D295-T299 PolarHBondContact O-N 3.47Å; D295-T299 VanDerWaalsContact O-N 3.09Å; D295-T299 PolarHBondContact O-OG1 3.43Å; D295-T299 VanDerWaalsContact O-OG1 3.05Å | ||
| 296 | R | 81.7 | Confident | 80.1 | Confident | 175 Ų | 175 | 74 Ų | 74 | 66% | 0.66 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -55.2 | -37.4 | 172.6 | -69.7 | -178 | 177.5 | -177.2 | 0.7 | 112.9 | I294 T299 Y300 | I294-R296 PolarHBondContact O-N 3.11Å; R296-T299 WeakPolarHBondContact O-CB 3.45Å; R296-T299 PolarHBondContact O-N 3.42Å; R296-Y300 HydrophobicContact CB-CE1 4.48Å; R296-Y300 HydrophobicContact CB-CE2 3.93Å; R296-Y300 WeakPolarHBondContact O-CD1 3.3Å; R296-Y300 WeakPolarHBondContact O-CD2 3.36Å; R296-Y300 PolarHBondContact O-N 2.97Å |
| 297 | Q | 83.7 | Confident | 80.6 | Confident | 91 Ų | 91 | 69.2 Ų | 69.2 | 43% | 0.425 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.9 | -42.8 | -179.1 | -74.4 | -176.8 | 18 | 0 | 0 | 111.2 | W59 Y63 D295 T299 Y300 K301 | W59-Q297 HydrophobicContact CD2-CG 4.47Å; W59-Q297 HydrophobicContact CE3-CG 4.01Å; W59-Q297 HydrophobicContact CH2-CG 4.17Å; W59-Q297 HydrophobicContact CZ3-CG 3.82Å; Y63-Q297 WeakPolarHBondContact CE2-O 3.16Å; Y63-Q297 WeakPolarHBondContact OH-CB 3.34Å; D295-Q297 VanDerWaalsContact C-N 3.26Å; D295-Q297 PolarHBondContact O-N 3.12Å; D295-Q297 WeakPolarHBondContact OD1-CA 3.41Å; D295-Q297 WeakPolarHBondContact OD1-CB 3.35Å; D295-Q297 PolarHBondContact OD1-N 2.97Å; Q297-T299 VanDerWaalsContact C-N 3.28Å; Q297-T299 PolarHBondContact O-N 3.22Å; Q297-Y300 PolarHBondContact O-N 2.88Å; Q297-K301 WeakPolarHBondContact O-CB 3.3Å; Q297-K301 PolarHBondContact O-N 3.19Å |
| 298 | S | 85.4 | Confident | 81.2 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 26% | 0.259 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 171.6 | 80.6 | 0 | 0 | 0 | 0 | 111.8 | D295 K301 Q302 | D295-S298 WeakPolarHBondContact CB-OG 3.36Å; D295-S298 PolarHBondContact O-N 3.42Å; D295-S298 PolarHBondContact O-OG 3.48Å; D295-S298 PolarHBondContact OD1-N 3.35Å; D295-S298 WeakPolarHBondContact OD2-CB 3.21Å; S298-K301 PolarHBondContact O-N 2.93Å; S298-Q302 WeakPolarHBondContact O-CB 3.42Å; S298-Q302 WeakPolarHBondContact O-CG 3.37Å; S298-Q302 PolarHBondContact O-N 2.95Å |
| 299 | T | 87 | Confident | 81.8 | Confident | 6 Ų | 6 | 74.1 Ų | 74.1 | 4% | 0.037 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.4 | -49.5 | 177 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | D291 D295 R296 Q297 K301 Q302 V303 | D291-T299 HydrophobicContact CB-CG2 3.52Å; D295-T299 PolarHBondContact O-N 3.47Å; D295-T299 VanDerWaalsContact O-N 3.09Å; D295-T299 PolarHBondContact O-OG1 3.43Å; D295-T299 VanDerWaalsContact O-OG1 3.05Å; R296-T299 WeakPolarHBondContact O-CB 3.45Å; R296-T299 PolarHBondContact O-N 3.42Å; Q297-T299 VanDerWaalsContact C-N 3.28Å; Q297-T299 PolarHBondContact O-N 3.22Å; T299-K301 VanDerWaalsContact C-N 3.31Å; T299-K301 PolarHBondContact O-N 2.82Å; T299-Q302 PolarHBondContact O-N 3.05Å; T299-V303 HydrophobicContact CG2-CG2 4.43Å; T299-V303 WeakPolarHBondContact O-CB 3.4Å; T299-V303 WeakPolarHBondContact O-CG2 3.32Å; T299-V303 PolarHBondContact O-N 3.27Å |
| 300 | Y | 90.6 | Very high | 82.7 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 5% | 0.051 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 177.2 | -56.9 | -24.7 | 0 | 0 | 0 | 112.1 | P56 W59 I60 A288 R296 Q297 A304 | P56-Y300 HydrophobicContact CB-CE1 3.94Å; P56-Y300 HydrophobicContact CB-CE2 4.35Å; W59-Y300 HydrophobicContact CB-CD2 3.41Å; W59-Y300 VanDerWaalsContact CB-CD2 3.41Å; W59-Y300 HydrophobicContact CB-CE2 4.07Å; W59-Y300 HydrophobicContact CB-CG 4.09Å; W59-Y300 HydrophobicContact CD2-CD2 4.47Å; W59-Y300 AromaticContact CG-CD2 3.83Å; W59-Y300 HydrophobicContact CG-CD2 3.83Å; W59-Y300 HydrophobicContact CG-CE2 4.16Å; I60-Y300 HydrophobicContact CD1-CD1 4.28Å; I60-Y300 HydrophobicContact CG1-CD1 4.03Å; I60-Y300 HydrophobicContact CG1-CG 4.07Å; A288-Y300 HydrophobicContact CB-CD1 3.74Å; A288-Y300 HydrophobicContact CB-CE1 3.9Å; R296-Y300 HydrophobicContact CB-CE1 4.48Å; R296-Y300 HydrophobicContact CB-CE2 3.93Å; R296-Y300 WeakPolarHBondContact O-CD1 3.3Å; R296-Y300 WeakPolarHBondContact O-CD2 3.36Å; R296-Y300 PolarHBondContact O-N 2.97Å; Q297-Y300 PolarHBondContact O-N 2.88Å; Y300-A304 WeakPolarHBondContact O-CB 3.32Å; Y300-A304 PolarHBondContact O-N 2.99Å |
| 301 | K | 90.7 | Very high | 83.7 | Confident | 82 Ų | 82 | 71.6 Ų | 71.6 | 36% | 0.357 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.7 | -40 | 176.1 | -169.1 | 166.1 | -175.4 | 144.6 | 0 | 112.7 | Y63 E66 I67 Q297 S298 T299 C305 | Y63-K301 HydrophobicContact CD1-CB 3.8Å; Y63-K301 HydrophobicContact CD1-CD 3.78Å; Y63-K301 HydrophobicContact CD1-CG 3.73Å; Y63-K301 HydrophobicContact CD2-CB 4.01Å; Y63-K301 HydrophobicContact CE1-CB 3.92Å; Y63-K301 HydrophobicContact CE1-CD 3.73Å; Y63-K301 HydrophobicContact CE1-CG 4.06Å; Y63-K301 HydrophobicContact CE2-CB 4.11Å; Y63-K301 HydrophobicContact CG-CB 3.87Å; Y63-K301 HydrophobicContact CG-CG 4.13Å; E66-K301 IonicContact OE1-NZ 2.66Å; E66-K301 IonicContact OE2-NZ 3.34Å; E66-K301 PolarHBondContact OE2-NZ 3.05Å; I67-K301 HydrophobicContact CD1-CG 4.37Å; Q297-K301 WeakPolarHBondContact O-CB 3.3Å; Q297-K301 PolarHBondContact O-N 3.19Å; S298-K301 PolarHBondContact O-N 2.93Å; T299-K301 VanDerWaalsContact C-N 3.31Å; T299-K301 PolarHBondContact O-N 2.82Å; K301-C305 VanDerWaalsContact O-CB 3.31Å; K301-C305 WeakPolarHBondContact O-CB 3.14Å; K301-C305 PolarHBondContact O-N 3.23Å |
| 302 | Q | 89.5 | Confident | 84.9 | Confident | 108 Ų | 108 | 70.9 Ų | 70.9 | 51% | 0.505 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 174.7 | -75.6 | -174.4 | 51.5 | 0 | 0 | 112 | S298 T299 C305 R306 | S298-Q302 WeakPolarHBondContact O-CB 3.42Å; S298-Q302 WeakPolarHBondContact O-CG 3.37Å; S298-Q302 PolarHBondContact O-N 2.95Å; T299-Q302 PolarHBondContact O-N 3.05Å; Q302-C305 PolarHBondContact O-N 3.3Å; Q302-R306 VanDerWaalsContact O-CB 3.25Å; Q302-R306 WeakPolarHBondContact O-CB 3.33Å; Q302-R306 PolarHBondContact O-N 3.06Å |
| 303 | V | 90.4 | Very high | 86.5 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 175.8 | 167.3 | 0 | 0 | 0 | 0 | 110.9 | L284 A288 T299 R306 W307 | L284-V303 HydrophobicContact CD2-CG1 3.53Å; A288-V303 HydrophobicContact CB-CG1 4.49Å; A288-V303 HydrophobicContact CB-CG2 4.25Å; T299-V303 HydrophobicContact CG2-CG2 4.43Å; T299-V303 WeakPolarHBondContact O-CB 3.4Å; T299-V303 WeakPolarHBondContact O-CG2 3.32Å; T299-V303 PolarHBondContact O-N 3.27Å; V303-R306 WeakPolarHBondContact O-CB 3.29Å; V303-R306 PolarHBondContact O-N 2.95Å; V303-W307 WeakPolarHBondContact O-CB 3.06Å; V303-W307 PolarHBondContact O-N 2.73Å |
| 304 | A | 92.5 | Very high | 88 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I60 L64 I67 Y300 R306 W307 L308 | I60-A304 HydrophobicContact CG2-CB 4.48Å; L64-A304 HydrophobicContact CD2-CB 3.78Å; L64-A304 WeakPolarHBondContact CD2-O 3.45Å; L64-A304 HydrophobicContact CG-CB 3.82Å; I67-A304 HydrophobicContact CD1-CB 4.07Å; Y300-A304 WeakPolarHBondContact O-CB 3.32Å; Y300-A304 PolarHBondContact O-N 2.99Å; A304-R306 PolarHBondContact O-N 2.78Å; A304-W307 PolarHBondContact O-N 2.96Å; A304-L308 WeakPolarHBondContact O-CG 3.3Å; A304-L308 PolarHBondContact O-N 3.15Å |
| 305 | C | 93.4 | Very high | 89.4 | Confident | 17 Ų | 17 | 62.4 Ų | 62.4 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 177.5 | -166.6 | 0 | 0 | 0 | 0 | 112.7 | C26 I67 K301 Q302 R309 | C26-C305 VanDerWaalsContact CA-SG 3.53Å; C26-C305 HydrophobicContact CB-CB 4.26Å; C26-C305 WeakPolarHBondContact CB-SG 3.14Å; C26-C305 WeakPolarHBondContact SG-CB 3.47Å; C26-C305 CovalentContact SG-SG 2.04Å; C26-C305 PolarHBondContact SG-SG 2.95Å; I67-C305 HydrophobicContact CD1-CB 4.17Å; K301-C305 VanDerWaalsContact O-CB 3.31Å; K301-C305 WeakPolarHBondContact O-CB 3.14Å; K301-C305 PolarHBondContact O-N 3.23Å; Q302-C305 PolarHBondContact O-N 3.3Å; C305-R309 WeakPolarHBondContact O-CG 3.3Å; C305-R309 PolarHBondContact O-N 3.35Å; C305-R309 VanDerWaalsContact O-N 3.11Å |
| 306 | R | 91.2 | Very high | 89.9 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 176 | -167.9 | -174 | -63.5 | 162.3 | -0.1 | 110.3 | D291 Q302 V303 A304 R309 Q310 | D291-R306 IonicContact OD2-NH1 2.76Å; D291-R306 IonicContact OD2-NH2 3.17Å; D291-R306 PolarHBondContact OD2-NH2 2.93Å; Q302-R306 VanDerWaalsContact O-CB 3.25Å; Q302-R306 WeakPolarHBondContact O-CB 3.33Å; Q302-R306 PolarHBondContact O-N 3.06Å; V303-R306 WeakPolarHBondContact O-CB 3.29Å; V303-R306 PolarHBondContact O-N 2.95Å; A304-R306 PolarHBondContact O-N 2.78Å; R306-R309 PolarHBondContact O-N 3.38Å; R306-Q310 VanDerWaalsContact O-CG 3.32Å; R306-Q310 WeakPolarHBondContact O-CG 3.39Å; R306-Q310 PolarHBondContact O-N 2.73Å; R306-Q310 PolarHBondContact O-OE1 3.22Å |
| 307 | W | 91.8 | Very high | 90.4 | Very high | 16 Ų | 16 | 57 Ų | 57 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 178.3 | -174.1 | 96.8 | 0 | 0 | 0 | 113.1 | L64 L284 V303 A304 Q310 N311 K314 W318 | L64-W307 HydrophobicContact CD1-CE3 4.39Å; L64-W307 HydrophobicContact CD2-CB 4.42Å; L64-W307 HydrophobicContact CD2-CD2 4.23Å; L64-W307 HydrophobicContact CD2-CE3 3.56Å; L64-W307 HydrophobicContact CD2-CZ3 4.24Å; L284-W307 HydrophobicContact CD1-CG 4.25Å; L284-W307 HydrophobicContact CD2-CB 3.75Å; L284-W307 HydrophobicContact CD2-CG 3.85Å; L284-W307 HydrophobicContact CG-CG 4.39Å; V303-W307 WeakPolarHBondContact O-CB 3.06Å; V303-W307 PolarHBondContact O-N 2.73Å; A304-W307 PolarHBondContact O-N 2.96Å; W307-Q310 PolarHBondContact O-N 2.87Å; W307-N311 HydrophobicContact CD2-CB 4.28Å; W307-N311 HydrophobicContact CE3-CB 4.27Å; W307-N311 HydrophobicContact CH2-CB 4.09Å; W307-N311 HydrophobicContact CZ2-CB 4.11Å; W307-N311 HydrophobicContact CZ3-CB 4.18Å; W307-N311 PolarHBondContact NE1-ND2 3.46Å; W307-N311 WeakPolarHBondContact O-CB 3.49Å; W307-N311 PolarHBondContact O-N 2.98Å; W307-N311 PolarHBondContact O-ND2 3.36Å; W307-K314 HydrophobicContact CH2-CD 4.03Å; W307-K314 HydrophobicContact CH2-CG 4.19Å; W307-K314 HydrophobicContact CZ2-CD 4.16Å; W307-W318 AromaticContact CH2-CH2 3.56Å; W307-W318 HydrophobicContact CH2-CH2 3.56Å; W307-W318 HydrophobicContact CH2-CZ2 4.21Å; W307-W318 HydrophobicContact CH2-CZ3 4.3Å; W307-W318 AromaticContact CZ3-CH2 3.85Å; W307-W318 HydrophobicContact CZ3-CH2 3.85Å; W307-W318 HydrophobicContact CZ3-CZ3 4.13Å |
| 308 | L | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 174.8 | -72.5 | 167.9 | 0 | 0 | 0 | 111.4 | F27 L64 I67 L68 A304 Q310 N311 W315 | F27-L308 HydrophobicContact CE1-CB 4.26Å; F27-L308 HydrophobicContact CZ-CB 4.24Å; F27-L308 HydrophobicContact CZ-CD1 4.07Å; F27-L308 HydrophobicContact CZ-CD2 4.43Å; F27-L308 HydrophobicContact CZ-CG 4.48Å; L64-L308 HydrophobicContact CD2-CD1 4.11Å; L64-L308 HydrophobicContact CD2-CD2 4.03Å; L64-L308 HydrophobicContact CD2-CG 3.66Å; I67-L308 HydrophobicContact CB-CD1 3.74Å; I67-L308 HydrophobicContact CD1-CD1 4.15Å; I67-L308 HydrophobicContact CG2-CD1 3.48Å; I67-L308 VanDerWaalsContact CG2-CD1 3.48Å; L68-L308 HydrophobicContact CD1-CD2 3.93Å; L68-L308 HydrophobicContact CD2-CD2 4.15Å; L68-L308 HydrophobicContact CG-CD1 4.46Å; L68-L308 HydrophobicContact CG-CD2 3.99Å; A304-L308 WeakPolarHBondContact O-CG 3.3Å; A304-L308 PolarHBondContact O-N 3.15Å; L308-Q310 PolarHBondContact O-N 2.03Å; L308-N311 PolarHBondContact O-N 2.77Å; L308-W315 HydrophobicContact CD2-CB 3.99Å; L308-W315 HydrophobicContact CD2-CG 3.86Å; L308-W315 PolarHBondContact O-NE1 2.94Å |
| 309 | R | 91.3 | Very high | 91.2 | Very high | 147 Ų | 147 | 51.5 Ų | 51.5 | 56% | 0.555 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63 | -28.9 | 175.9 | -71.8 | 170.5 | 173.2 | 173.9 | -2.4 | 112.7 | G25 C26 C305 R306 | G25-R309 PolarHBondContact O-NH2 2.8Å; C26-R309 WeakPolarHBondContact O-CG 3.39Å; C26-R309 PolarHBondContact O-NE 2.88Å; C305-R309 WeakPolarHBondContact O-CG 3.3Å; C305-R309 PolarHBondContact O-N 3.35Å; C305-R309 VanDerWaalsContact O-N 3.11Å; R306-R309 PolarHBondContact O-N 3.38Å |
| 310 | Q | 90.7 | Very high | 91.1 | Very high | 131 Ų | 131 | 54.3 Ų | 54.3 | 61% | 0.612 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -83.4 | -27 | 178 | -72.8 | 168 | -36.2 | 0 | 0 | 114.3 | R306 W307 L308 P312 | R306-Q310 VanDerWaalsContact O-CG 3.32Å; R306-Q310 WeakPolarHBondContact O-CG 3.39Å; R306-Q310 PolarHBondContact O-N 2.73Å; R306-Q310 PolarHBondContact O-OE1 3.22Å; W307-Q310 PolarHBondContact O-N 2.87Å; L308-Q310 PolarHBondContact O-N 2.03Å; Q310-P312 WeakPolarHBondContact O-CD 3.47Å |
| 311 | N | 91.3 | Very high | 90.8 | Very high | 48 Ų | 48 | 57.1 Ų | 57.1 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | trans | -115.8 | 50.8 | -171.2 | -68.7 | -77.7 | 0 | 0 | 0 | 114.9 | W307 L308 I313 K314 W315 | W307-N311 HydrophobicContact CD2-CB 4.28Å; W307-N311 HydrophobicContact CE3-CB 4.27Å; W307-N311 HydrophobicContact CH2-CB 4.09Å; W307-N311 HydrophobicContact CZ2-CB 4.11Å; W307-N311 HydrophobicContact CZ3-CB 4.18Å; W307-N311 PolarHBondContact NE1-ND2 3.46Å; W307-N311 WeakPolarHBondContact O-CB 3.49Å; W307-N311 PolarHBondContact O-N 2.98Å; W307-N311 PolarHBondContact O-ND2 3.36Å; L308-N311 PolarHBondContact O-N 2.77Å; N311-I313 VanDerWaalsContact C-N 3.33Å; N311-I313 PolarHBondContact O-N 3.23Å; N311-K314 HydrophobicContact CB-CB 4.35Å; N311-K314 PolarHBondContact O-N 3.23Å; N311-K314 VanDerWaalsContact O-N 3.12Å; N311-W315 PolarHBondContact O-N 3.18Å | ||
| 312 | P | 90.3 | Very high | 90.5 | Very high | 53 Ų | 53 | 55 Ų | 55 | 34% | 0.344 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.8 | -33.4 | -171.7 | 26.2 | -35.1 | 0 | 0 | 0 | 114.4 | Q310 K314 W315 K316 | Q310-P312 WeakPolarHBondContact O-CD 3.47Å; P312-K314 VanDerWaalsContact C-N 3.3Å; P312-K314 PolarHBondContact O-N 3.34Å; P312-W315 HydrophobicContact CB-CZ2 4.34Å; P312-K316 WeakPolarHBondContact O-CB 3.46Å; P312-K316 VanDerWaalsContact O-CD 3.28Å; P312-K316 WeakPolarHBondContact O-CD 3.4Å; P312-K316 WeakPolarHBondContact O-CG 3.04Å; P312-K316 PolarHBondContact O-N 3.08Å |
| 313 | I | 90.4 | Very high | 90.3 | Very high | 153 Ų | 153 | 53.8 Ų | 53.8 | 79% | 0.785 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | 178.9 | -60.8 | 172.1 | 0 | 0 | 0 | 110.2 | N311 S317 | N311-I313 VanDerWaalsContact C-N 3.33Å; N311-I313 PolarHBondContact O-N 3.23Å; I313-S317 PolarHBondContact O-N 3Å |
| 314 | K | 90.7 | Very high | 90 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 21% | 0.213 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -72.2 | -56.5 | -171.5 | -170 | 154.9 | 178.2 | 162.9 | 0 | 112 | Y275 E280 W307 N311 P312 K316 S317 W318 | Y275-K314 WeakPolarHBondContact O-CE 3.3Å; E280-K314 IonicContact OE1-NZ 3.69Å; E280-K314 PolarHBondContact OE1-NZ 2.97Å; E280-K314 IonicContact OE2-NZ 2.71Å; E280-K314 PolarHBondContact OE2-NZ 3.29Å; W307-K314 HydrophobicContact CH2-CD 4.03Å; W307-K314 HydrophobicContact CH2-CG 4.19Å; W307-K314 HydrophobicContact CZ2-CD 4.16Å; N311-K314 HydrophobicContact CB-CB 4.35Å; N311-K314 PolarHBondContact O-N 3.23Å; N311-K314 VanDerWaalsContact O-N 3.12Å; P312-K314 VanDerWaalsContact C-N 3.3Å; P312-K314 PolarHBondContact O-N 3.34Å; K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 3.05Å; K314-S317 WeakPolarHBondContact O-CB 3.25Å; K314-S317 PolarHBondContact O-N 2.91Å; K314-S317 PolarHBondContact O-OG 3.49Å; K314-W318 HydrophobicContact CD-CZ2 4.27Å; K314-W318 HydrophobicContact CG-CH2 4.4Å; K314-W318 HydrophobicContact CG-CZ2 3.62Å |
| 315 | W | 91.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 1% | 0.011 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.2 | -25.2 | 179.9 | 62.6 | -103.9 | 0 | 0 | 0 | 113.9 | F27 L68 R72 L308 N311 P312 S317 W318 T319 | F27-W315 AromaticContact CD1-CH2 3.76Å; F27-W315 HydrophobicContact CD1-CH2 3.76Å; F27-W315 AromaticContact CD1-CZ2 3.69Å; F27-W315 HydrophobicContact CD1-CZ2 3.69Å; F27-W315 HydrophobicContact CE1-CD2 4.08Å; F27-W315 AromaticContact CE1-CE2 3.53Å; F27-W315 HydrophobicContact CE1-CE3 4.33Å; F27-W315 AromaticContact CE1-CH2 3.62Å; F27-W315 HydrophobicContact CE1-CH2 3.62Å; F27-W315 AromaticContact CE1-CZ2 3.32Å; F27-W315 HydrophobicContact CE1-CZ2 3.32Å; F27-W315 HydrophobicContact CE1-CZ3 4.12Å; F27-W315 HydrophobicContact CZ-CD2 4.4Å; F27-W315 HydrophobicContact CZ-CH2 4.45Å; F27-W315 HydrophobicContact CZ-CZ2 4.34Å; L68-W315 HydrophobicContact CD1-CB 4.01Å; L68-W315 HydrophobicContact CD2-CB 4.03Å; L68-W315 HydrophobicContact CD2-CD2 4.08Å; L68-W315 HydrophobicContact CD2-CE3 3.86Å; L68-W315 HydrophobicContact CD2-CG 4.17Å; R72-W315 HydrophobicContact CG-CZ3 4.4Å; L308-W315 HydrophobicContact CD2-CB 3.99Å; L308-W315 HydrophobicContact CD2-CG 3.86Å; L308-W315 PolarHBondContact O-NE1 2.94Å; N311-W315 PolarHBondContact O-N 3.18Å; P312-W315 HydrophobicContact CB-CZ2 4.34Å; W315-S317 VanDerWaalsContact C-N 3.27Å; W315-S317 PolarHBondContact O-N 3.38Å; W315-W318 HydrophobicContact CB-CD2 4.37Å; W315-W318 HydrophobicContact CB-CE3 3.87Å; W315-W318 HydrophobicContact CB-CZ3 4.22Å; W315-W318 WeakPolarHBondContact O-CB 3.49Å; W315-W318 PolarHBondContact O-N 3.15Å; W315-T319 PolarHBondContact O-N 3.45Å; W315-T319 PolarHBondContact O-OG1 3.15Å |
| 316 | K | 91.1 | Very high | 89.5 | Confident | 82 Ų | 82 | 63.3 Ų | 63.3 | 36% | 0.357 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.7 | -33.1 | 172.5 | -73.8 | 175.8 | -173.7 | -176.3 | 0 | 112.2 | E31 P312 K314 W318 T319 | E31-K316 VanDerWaalsContact OE1-CE 3.23Å; E31-K316 WeakPolarHBondContact OE1-CE 3.13Å; E31-K316 IonicContact OE1-NZ 3.48Å; E31-K316 PolarHBondContact OE1-NZ 3.01Å; P312-K316 WeakPolarHBondContact O-CB 3.46Å; P312-K316 VanDerWaalsContact O-CD 3.28Å; P312-K316 WeakPolarHBondContact O-CD 3.4Å; P312-K316 WeakPolarHBondContact O-CG 3.04Å; P312-K316 PolarHBondContact O-N 3.08Å; K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 3.05Å; K316-W318 VanDerWaalsContact C-N 3.25Å; K316-W318 PolarHBondContact O-N 3.34Å; K316-T319 PolarHBondContact O-N 2.6Å |
| 317 | S | 92.1 | Very high | 89.5 | Confident | 65 Ų | 65 | 63.1 Ų | 63.1 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.4 | -27 | 171.8 | 80.8 | 0 | 0 | 0 | 0 | 113.2 | K273 I313 K314 W315 V320 | K273-S317 WeakPolarHBondContact CD-O 3.41Å; I313-S317 PolarHBondContact O-N 3Å; K314-S317 WeakPolarHBondContact O-CB 3.25Å; K314-S317 PolarHBondContact O-N 2.91Å; K314-S317 PolarHBondContact O-OG 3.49Å; W315-S317 VanDerWaalsContact C-N 3.27Å; W315-S317 PolarHBondContact O-N 3.38Å; S317-V320 WeakPolarHBondContact O-CG2 3.16Å |
| 318 | W | 93.5 | Very high | 89.6 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -79 | -43.3 | 177.5 | -50 | -19.7 | 0 | 0 | 0 | 111.2 | L68 Q269 L270 K273 M274 Y275 W307 K314 W315 K316 V320 | L68-W318 HydrophobicContact CD1-CE3 3.79Å; L68-W318 HydrophobicContact CD1-CZ3 4.12Å; Q269-W318 PolarHBondContact NE2-O 3.46Å; L270-W318 HydrophobicContact CD1-CB 3.94Å; L270-W318 HydrophobicContact CD1-CE3 4.49Å; K273-W318 HydrophobicContact CB-CB 4.08Å; K273-W318 HydrophobicContact CB-CG 4.3Å; K273-W318 WeakPolarHBondContact CD-O 3.36Å; K273-W318 PolarHBondContact O-NE1 3.07Å; M274-W318 HydrophobicContact CB-CD2 4.39Å; M274-W318 HydrophobicContact CB-CE3 4.3Å; M274-W318 HydrophobicContact CB-CZ3 4.48Å; M274-W318 HydrophobicContact CE-CZ3 4.4Å; M274-W318 HydrophobicContact CG-CE3 4.09Å; M274-W318 HydrophobicContact CG-CH2 3.93Å; M274-W318 HydrophobicContact CG-CZ2 4.37Å; M274-W318 HydrophobicContact CG-CZ3 3.78Å; M274-W318 HydrophobicContact SD-CZ3 4.44Å; Y275-W318 VanDerWaalsContact O-CZ2 3.26Å; Y275-W318 WeakPolarHBondContact O-CZ2 3.34Å; W307-W318 AromaticContact CH2-CH2 3.56Å; W307-W318 HydrophobicContact CH2-CH2 3.56Å; W307-W318 HydrophobicContact CH2-CZ2 4.21Å; W307-W318 HydrophobicContact CH2-CZ3 4.3Å; W307-W318 AromaticContact CZ3-CH2 3.85Å; W307-W318 HydrophobicContact CZ3-CH2 3.85Å; W307-W318 HydrophobicContact CZ3-CZ3 4.13Å; K314-W318 HydrophobicContact CD-CZ2 4.27Å; K314-W318 HydrophobicContact CG-CH2 4.4Å; K314-W318 HydrophobicContact CG-CZ2 3.62Å; W315-W318 HydrophobicContact CB-CD2 4.37Å; W315-W318 HydrophobicContact CB-CE3 3.87Å; W315-W318 HydrophobicContact CB-CZ3 4.22Å; W315-W318 WeakPolarHBondContact O-CB 3.49Å; W315-W318 PolarHBondContact O-N 3.15Å; K316-W318 VanDerWaalsContact C-N 3.25Å; K316-W318 PolarHBondContact O-N 3.34Å; W318-V320 PolarHBondContact O-N 3.24Å |
| 319 | T | 91.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 62.9 Ų | 62.9 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -93.9 | 49.5 | -177.6 | 68.3 | 0 | 0 | 0 | 0 | 113.6 | L68 R72 L73 L270 W315 K316 W322 | L68-T319 HydrophobicContact CD2-CG2 4.04Å; R72-T319 HydrophobicContact CG-CG2 3.79Å; R72-T319 PolarHBondContact NE-OG1 3.05Å; L73-T319 HydrophobicContact CD2-CG2 4.23Å; L270-T319 HydrophobicContact CD1-CG2 4.21Å; W315-T319 PolarHBondContact O-N 3.45Å; W315-T319 PolarHBondContact O-OG1 3.15Å; K316-T319 PolarHBondContact O-N 2.6Å; T319-W322 VanDerWaalsContact O-CD1 3.26Å |
| 320 | V | 86.8 | Confident | 89.9 | Confident | 65 Ų | 65 | 55.9 Ų | 55.9 | 39% | 0.394 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 146.4 | 167.5 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | Q269 S317 W318 W322 | Q269-V320 PolarHBondContact NE2-O 2.85Å; S317-V320 WeakPolarHBondContact O-CG2 3.16Å; W318-V320 PolarHBondContact O-N 3.24Å; V320-W322 PolarHBondContact O-N 2.94Å |
| 321 | D | 83.6 | Confident | 90.1 | Very high | 72 Ų | 72 | 49.7 Ų | 49.7 | 39% | 0.385 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 21.5 | -177.2 | -69.6 | 19.9 | 0 | 0 | 0 | 115.2 | D323 K324 | D321-D323 VanDerWaalsContact C-N 3.32Å; D321-D323 PolarHBondContact O-N 3.48Å; D321-K324 HydrophobicContact CB-CB 4.04Å; D321-K324 HydrophobicContact CB-CD 3.88Å; D321-K324 VanDerWaalsContact O-CB 3.22Å; D321-K324 WeakPolarHBondContact O-CB 3.45Å; D321-K324 PolarHBondContact O-N 3.25Å; D321-K324 WeakPolarHBondContact OD2-CD 3.35Å; D321-K324 IonicContact OD2-NZ 3.7Å; D321-K324 PolarHBondContact OD2-NZ 3.5Å |
| 322 | W | 85.2 | Confident | 90.3 | Very high | 38 Ų | 38 | 47.4 Ų | 47.4 | 14% | 0.144 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -41.1 | 178.8 | 65.5 | -69.1 | 0 | 0 | 0 | 114.2 | L33 R37 R72 L73 T319 V320 | L33-W322 HydrophobicContact CB-CZ3 4.41Å; L33-W322 HydrophobicContact CD1-CE3 4.02Å; L33-W322 HydrophobicContact CD1-CZ3 4.11Å; R37-W322 PolarHBondContact NH2-O 3.08Å; R72-W322 VanDerWaalsContact CZ-CD2 3.42Å; R72-W322 VanDerWaalsContact NH1-CZ2 3.34Å; R72-W322 VanDerWaalsContact NH2-NE1 3.12Å; R72-W322 VanDerWaalsContact O-CE3 3.3Å; L73-W322 HydrophobicContact CD2-CB 3.68Å; T319-W322 VanDerWaalsContact O-CD1 3.26Å; V320-W322 PolarHBondContact O-N 2.94Å |
| 323 | D | 83.8 | Confident | 90.4 | Very high | 81 Ų | 81 | 44.9 Ų | 44.9 | 43% | 0.433 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -3.5 | -178.6 | 54.2 | -21.7 | 0 | 0 | 0 | 113.9 | L33 W35 D321 K325 | L33-D323 HydrophobicContact CD1-CB 4.32Å; W35-D323 WeakPolarHBondContact CH2-O 3.42Å; W35-D323 WeakPolarHBondContact CZ2-O 3.23Å; D321-D323 VanDerWaalsContact C-N 3.32Å; D321-D323 PolarHBondContact O-N 3.48Å; D323-K325 PolarHBondContact O-N 2.83Å |
| 324 | K | 85.3 | Confident | 90.4 | Very high | 124 Ų | 124 | 37.7 Ų | 37.7 | 54% | 0.539 | 19% | 0.191 | S | C | . | . | trans | -66.9 | 122.9 | 179.5 | -167.7 | 172.1 | -170.6 | 172.3 | 0 | 111.1 | R37 D321 | R37-K324 PolarHBondContact NH2-O 3.35Å; D321-K324 HydrophobicContact CB-CB 4.04Å; D321-K324 HydrophobicContact CB-CD 3.88Å; D321-K324 VanDerWaalsContact O-CB 3.22Å; D321-K324 WeakPolarHBondContact O-CB 3.45Å; D321-K324 PolarHBondContact O-N 3.25Å; D321-K324 WeakPolarHBondContact OD2-CD 3.35Å; D321-K324 IonicContact OD2-NZ 3.7Å; D321-K324 PolarHBondContact OD2-NZ 3.5Å | ||
| 325 | K | 87.9 | Confident | 89.8 | Confident | 49 Ų | 49 | 35.6 Ų | 35.6 | 21% | 0.213 | 18% | 0.183 | C | C | . | . | trans | -75.3 | 160.4 | 174.6 | -71.6 | -176.3 | 166.3 | -154.7 | 0 | 111.9 | W35 D323 F363 R364 S366 E367 Y368 A369 | W35-K325 HydrophobicContact CH2-CD 4.28Å; W35-K325 HydrophobicContact CH2-CG 3.87Å; W35-K325 HydrophobicContact CZ2-CD 4.45Å; W35-K325 HydrophobicContact CZ2-CG 3.66Å; D323-K325 PolarHBondContact O-N 2.83Å; K325-F363 PolarHBondContact NZ-O 3.08Å; K325-R364 PolarHBondContact NZ-O 2.9Å; K325-S366 WeakPolarHBondContact CE-O 3.36Å; K325-S366 PolarHBondContact NZ-O 2.83Å; K325-E367 CarbonylContact C-O 3.58Å; K325-E367 WeakPolarHBondContact CA-O 3.49Å; K325-Y368 WeakPolarHBondContact CD-O 3.43Å; K325-A369 HydrophobicContact CB-CB 3.97Å; K325-A369 HydrophobicContact CD-CB 4.15Å | ||
| 326 | L | 86.1 | Confident | 88.4 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 25% | 0.246 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 110 | 178 | -175.9 | 63.1 | 0 | 0 | 0 | 109.6 | E367 Y368 A369 | L326-E367 PolarHBondContact N-O 3.34Å; L326-Y368 HydrophobicContact CB-CD1 4.27Å; L326-Y368 HydrophobicContact CD2-CD1 4.01Å; L326-Y368 HydrophobicContact CD2-CE1 4Å; L326-Y368 HydrophobicContact CG-CD1 4.47Å; L326-Y368 CarbonylContact O-C 3.42Å; L326-Y368 VanDerWaalsContact O-CA 3.31Å; L326-Y368 WeakPolarHBondContact O-CA 3.46Å; L326-A369 PolarHBondContact O-N 3.16Å |
| 327 | N | 91.5 | Very high | 86.2 | Confident | 90 Ų | 90 | 39.8 Ų | 39.8 | 48% | 0.481 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 136.1 | 179.4 | -70.6 | 19.1 | 0 | 0 | 0 | 111.4 | A369 | N327-A369 CarbonylContact C-O 3.59Å; N327-A369 WeakPolarHBondContact CA-O 3.47Å |
| 328 | L | 93.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.6 | 170.4 | -54.3 | 179 | 0 | 0 | 0 | 106.9 | F363 Y368 A369 L370 S371 R399 I401 V699 L703 A710 L713 | L328-F363 HydrophobicContact CD1-CZ 4.38Å; L328-Y368 HydrophobicContact CD1-CD1 4.13Å; L328-Y368 HydrophobicContact CD1-CG 4.2Å; L328-Y368 HydrophobicContact CD2-CD1 4.41Å; L328-Y368 HydrophobicContact CG-CD1 4.45Å; L328-A369 PolarHBondContact N-O 3.17Å; L328-L370 CarbonylContact O-C 3.58Å; L328-L370 WeakPolarHBondContact O-CA 3Å; L328-S371 PolarHBondContact O-N 3.12Å; L328-S371 PolarHBondContact O-OG 2.85Å; L328-R399 HydrophobicContact CD2-CB 4.09Å; L328-I401 HydrophobicContact CB-CG2 4.06Å; L328-V699 HydrophobicContact CD1-CG1 3.88Å; L328-L703 HydrophobicContact CD1-CD1 3.67Å; L328-A710 HydrophobicContact CD2-CB 4.39Å; L328-L713 HydrophobicContact CD2-CD1 4.37Å |
| 329 | T | 95.3 | Very high | 81.7 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 133.2 | -167 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | S371 D373 T398 R399 L400 I401 | T329-S371 CarbonylContact C-O 3.58Å; T329-S371 WeakPolarHBondContact CA-O 2.94Å; T329-S371 PolarHBondContact OG1-OG 2.93Å; T329-D373 HydrophobicContact CG2-CB 3.71Å; T329-T398 VanDerWaalsContact CB-O 3.24Å; T329-T398 WeakPolarHBondContact CB-O 3.02Å; T329-T398 PolarHBondContact OG1-O 2.96Å; T329-R399 PolarHBondContact N-O 3.35Å; T329-L400 CarbonylContact O-C 3.53Å; T329-L400 VanDerWaalsContact O-CA 3.31Å; T329-L400 WeakPolarHBondContact O-CA 3.35Å; T329-I401 WeakPolarHBondContact O-CG1 3.43Å; T329-I401 PolarHBondContact O-N 3.23Å |
| 330 | V | 95.9 | Very high | 79.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.4 | 160.6 | 176.3 | 0 | 0 | 0 | 0 | 107.4 | L370 S371 L372 D373 I401 G402 I404 L695 | V330-L370 HydrophobicContact CG2-CD1 3.81Å; V330-L370 HydrophobicContact CG2-CG 4.32Å; V330-S371 PolarHBondContact N-O 3.4Å; V330-L372 HydrophobicContact CB-CD1 4.06Å; V330-L372 HydrophobicContact CG1-CD1 3.92Å; V330-L372 CarbonylContact O-C 3.57Å; V330-L372 WeakPolarHBondContact O-CA 3.36Å; V330-D373 PolarHBondContact O-N 3.18Å; V330-I401 HydrophobicContact CG2-CD1 3.63Å; V330-I401 HydrophobicContact CG2-CG1 3.67Å; V330-G402 WeakPolarHBondContact CA-O 3.32Å; V330-I404 HydrophobicContact CG1-CB 4.49Å; V330-I404 HydrophobicContact CG1-CD1 3.93Å; V330-I404 HydrophobicContact CG1-CG1 3.83Å; V330-L695 HydrophobicContact CG1-CD1 4.14Å; V330-L695 HydrophobicContact CG2-CD1 4.23Å |
| 331 | A | 96.1 | Very high | 78.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 126.9 | 168 | 0 | 0 | 0 | 0 | 0 | 109.8 | V391 L400 G402 S403 I404 | A331-V391 HydrophobicContact CB-CB 4.48Å; A331-V391 HydrophobicContact CB-CG1 3.5Å; A331-V391 VanDerWaalsContact CB-CG1 3.5Å; A331-V391 HydrophobicContact CB-CG2 4.14Å; A331-L400 HydrophobicContact CB-CD1 3.9Å; A331-G402 PolarHBondContact N-O 3.27Å; A331-G402 VanDerWaalsContact N-O 3.15Å; A331-S403 CarbonylContact O-C 3.4Å; A331-S403 WeakPolarHBondContact O-CA 3.26Å; A331-I404 PolarHBondContact O-N 3.35Å |
| 332 | G | 94.5 | Very high | 77.4 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 101.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F334 D373 R375 | G332-F334 VanDerWaalsContact C-CD2 3.5Å; G332-F334 VanDerWaalsContact CA-CE2 3.43Å; G332-F334 VanDerWaalsContact O-CD2 3.24Å; G332-F334 WeakPolarHBondContact O-CD2 3.15Å; G332-D373 PolarHBondContact N-O 3.35Å; G332-R375 PolarHBondContact O-N 3.08Å |
| 333 | L | 92.7 | Very high | 76.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 104.1 | 179.8 | -48.5 | -179.4 | 0 | 0 | 0 | 108.7 | R375 L377 Y388 I404 A406 L407 V415 | L333-R375 HydrophobicContact CD2-CB 3.85Å; L333-R375 HydrophobicContact CD2-CG 3.81Å; L333-L377 HydrophobicContact CB-CD1 4.08Å; L333-L377 HydrophobicContact CD2-CD1 4.28Å; L333-Y388 HydrophobicContact CD1-CD2 3.84Å; L333-Y388 HydrophobicContact CD1-CE2 4.39Å; L333-Y388 HydrophobicContact CD1-CG 4.21Å; L333-I404 PolarHBondContact N-O 3.03Å; L333-A406 CarbonylContact O-C 3.38Å; L333-A406 PolarHBondContact O-N 2.91Å; L333-L407 HydrophobicContact CB-CD1 4.12Å; L333-L407 HydrophobicContact CB-CD2 4.21Å; L333-L407 HydrophobicContact CB-CG 4.27Å; L333-L407 HydrophobicContact CD1-CD1 4.36Å; L333-V415 HydrophobicContact CD1-CG1 3.93Å |
| 334 | F | 89.6 | Confident | 76.2 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.8 | -174.6 | -58.2 | -79 | 0 | 0 | 0 | 110.9 | G332 M336 L345 D346 A349 V374 R375 L377 A406 T688 | G332-F334 VanDerWaalsContact C-CD2 3.5Å; G332-F334 VanDerWaalsContact CA-CE2 3.43Å; G332-F334 VanDerWaalsContact O-CD2 3.24Å; G332-F334 WeakPolarHBondContact O-CD2 3.15Å; F334-M336 PolarHBondContact O-N 2.84Å; F334-M336 VanDerWaalsContact O-N 3.11Å; F334-L345 HydrophobicContact CD1-CB 3.68Å; F334-L345 HydrophobicContact CE1-CB 3.77Å; F334-D346 HydrophobicContact CD2-CB 3.87Å; F334-D346 HydrophobicContact CE2-CB 4Å; F334-D346 HydrophobicContact CG-CB 4.29Å; F334-A349 HydrophobicContact CE1-CB 4.48Å; F334-A349 HydrophobicContact CZ-CB 3.69Å; F334-V374 HydrophobicContact CD2-CG1 4.13Å; F334-V374 HydrophobicContact CE2-CG1 4.46Å; F334-R375 PolarHBondContact N-O 3.42Å; F334-L377 PolarHBondContact O-N 3.41Å; F334-A406 WeakPolarHBondContact CA-O 3.4Å; F334-A406 HydrophobicContact CD1-CB 3.73Å; F334-A406 HydrophobicContact CE1-CB 4.12Å; F334-T688 HydrophobicContact CE1-CG2 4.18Å |
| 335 | S | 78.9 | Confident | 76.1 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 4% | 0.035 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 98 | 175.4 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | L377 C379 A406 | S335-L377 CarbonylContact C-O 3.46Å; S335-L377 WeakPolarHBondContact CA-O 3.29Å; S335-C379 VanDerWaalsContact CB-SG 3.53Å; S335-A406 PolarHBondContact N-O 3.08Å; S335-A406 PolarHBondContact OG-O 3.47Å |
| 336 | M | 61.5 | Low | 76.1 | Confident | 23 Ų | 23 | 44 Ų | 44 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -4.9 | -179.3 | -71.4 | -154.2 | 177.4 | 0 | 0 | 114.6 | F334 V341 D346 N376 L377 | F334-M336 PolarHBondContact O-N 2.84Å; F334-M336 VanDerWaalsContact O-N 3.11Å; M336-V341 WeakPolarHBondContact O-CG1 3.49Å; M336-D346 HydrophobicContact CE-CB 3.76Å; M336-D346 WeakPolarHBondContact CE-OD1 3.48Å; M336-N376 HydrophobicContact CB-CB 4.48Å; M336-N376 WeakPolarHBondContact CE-OD1 3.49Å; M336-N376 HydrophobicContact CG-CB 4.21Å; M336-N376 HydrophobicContact SD-CB 3.97Å; M336-L377 PolarHBondContact N-O 3.07Å |
| 337 | Y | 44.3 | Very low | 76.2 | Confident | 150 Ų | 150 | 47.4 Ų | 47.4 | 59% | 0.588 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 127.8 | 179.3 | -53.8 | -80.5 | 0 | 0 | 0 | 112 | V341 L377 T378 C379 | Y337-V341 VanDerWaalsContact C-CG2 3.46Å; Y337-L377 PolarHBondContact N-O 2.8Å; Y337-T378 HydrophobicContact CD2-CG2 4.42Å; Y337-T378 CarbonylContact O-C 3.56Å; Y337-T378 WeakPolarHBondContact O-CA 3.36Å; Y337-C379 PolarHBondContact O-N 3.36Å |
| 338 | G | 48.1 | Very low | 75.9 | Confident | 56 Ų | 56 | 44 Ų | 44 | 58% | 0.577 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 153.3 | -168.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 339 | K | 43.8 | Very low | 75.8 | Confident | 174 Ų | 174 | 44 Ų | 44 | 76% | 0.757 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -75.9 | -30.5 | 168.7 | -81.6 | -172.6 | 176.6 | 179.5 | 0 | 113 | ||
| 340 | W | 52 | Low | 75.7 | Confident | 147 Ų | 147 | 46.7 Ų | 46.7 | 56% | 0.557 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -113.3 | 45.4 | -168 | -61.8 | 117.2 | 0 | 0 | 0 | 112.1 | D529 | W340-D529 HydrophobicContact CH2-CB 4.2Å; W340-D529 VanDerWaalsContact CH2-OD1 3.3Å; W340-D529 WeakPolarHBondContact CH2-OD1 3.44Å; W340-D529 HydrophobicContact CZ2-CB 4.39Å; W340-D529 VanDerWaalsContact CZ2-CG 3.49Å; W340-D529 WeakPolarHBondContact CZ2-OD2 3.48Å |
| 341 | V | 57 | Low | 75.3 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 19% | 0.194 | 24% | 0.244 | C | C | . | . | trans | -77.6 | 127.1 | -175.4 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | M336 Y337 H343 | M336-V341 WeakPolarHBondContact O-CG1 3.49Å; Y337-V341 VanDerWaalsContact C-CG2 3.46Å; V341-H343 WeakPolarHBondContact CG1-CE1 3.26Å; V341-H343 WeakPolarHBondContact CG1-ND1 3.38Å; V341-H343 WeakPolarHBondContact CG1-NE2 3.08Å | ||
| 342 | L | 62.8 | Low | 75 | Confident | 31 Ų | 31 | 50.7 Ų | 50.7 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | trans | -103.2 | 81.6 | 172.5 | -62.2 | 171.3 | 0 | 0 | 0 | 109.4 | L345 T430 L681 Y684 | L342-L345 HydrophobicContact CB-CD1 3.53Å; L342-L345 HydrophobicContact CB-CG 3.98Å; L342-L345 HydrophobicContact CD1-CD1 3.95Å; L342-L345 HydrophobicContact CG-CD1 4.38Å; L342-T430 HydrophobicContact CD1-CG2 3.51Å; L342-L681 VanDerWaalsContact CA-CD1 3.49Å; L342-L681 HydrophobicContact CB-CD1 3.83Å; L342-L681 HydrophobicContact CD2-CD1 3.89Å; L342-L681 HydrophobicContact CG-CD1 4.49Å; L342-Y684 HydrophobicContact CD1-CD1 4.07Å; L342-Y684 HydrophobicContact CD1-CD2 3.72Å; L342-Y684 HydrophobicContact CD1-CE1 4.43Å; L342-Y684 HydrophobicContact CD1-CE2 4.1Å; L342-Y684 HydrophobicContact CD1-CG 3.7Å; L342-Y684 HydrophobicContact CD2-CD2 3.56Å; L342-Y684 HydrophobicContact CD2-CE2 3.94Å; L342-Y684 HydrophobicContact CD2-CG 4.3Å; L342-Y684 HydrophobicContact CG-CD2 4.31Å | ||
| 343 | H | 67 | Low | 74.9 | Confident | 102 Ų | 102 | 50.8 Ų | 50.8 | 47% | 0.472 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 135.5 | -177.3 | -73.3 | -65.4 | 0 | 0 | 0 | 112.7 | V341 L681 | V341-H343 WeakPolarHBondContact CG1-CE1 3.26Å; V341-H343 WeakPolarHBondContact CG1-ND1 3.38Å; V341-H343 WeakPolarHBondContact CG1-NE2 3.08Å; H343-L681 WeakPolarHBondContact O-CD1 3.37Å; H343-L681 WeakPolarHBondContact O-CD2 3.33Å |
| 344 | G | 76.2 | Confident | 74.9 | Confident | 20 Ų | 20 | 55 Ų | 55 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -1.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | D346 R347 V348 | G344-D346 WeakPolarHBondContact CA-OD1 2.92Å; G344-D346 PolarHBondContact N-OD1 2.79Å; G344-D346 PolarHBondContact O-N 2.97Å; G344-R347 WeakPolarHBondContact O-CB 3.24Å; G344-R347 PolarHBondContact O-N 2.68Å; G344-V348 PolarHBondContact O-N 3.12Å |
| 345 | L | 84.5 | Confident | 74.9 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -26.3 | 172.9 | -64.6 | -173.2 | 0 | 0 | 0 | 112.5 | F334 L342 R347 V348 A349 A406 T685 T688 | F334-L345 HydrophobicContact CD1-CB 3.68Å; F334-L345 HydrophobicContact CE1-CB 3.77Å; L342-L345 HydrophobicContact CB-CD1 3.53Å; L342-L345 HydrophobicContact CB-CG 3.98Å; L342-L345 HydrophobicContact CD1-CD1 3.95Å; L342-L345 HydrophobicContact CG-CD1 4.38Å; L345-R347 VanDerWaalsContact C-N 3.33Å; L345-V348 PolarHBondContact O-N 2.98Å; L345-A349 WeakPolarHBondContact O-CB 3.29Å; L345-A349 PolarHBondContact O-N 2.98Å; L345-A406 HydrophobicContact CD1-CB 3.84Å; L345-T685 HydrophobicContact CD2-CG2 4.22Å; L345-T688 HydrophobicContact CB-CG2 4.37Å; L345-T688 WeakPolarHBondContact O-CG2 3.45Å |
| 346 | D | 87.8 | Confident | 75.4 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.7 | -43.2 | 168.1 | 63 | -56 | 0 | 0 | 0 | 112.2 | F334 M336 G344 A349 Q350 V374 | F334-D346 HydrophobicContact CD2-CB 3.87Å; F334-D346 HydrophobicContact CE2-CB 4Å; F334-D346 HydrophobicContact CG-CB 4.29Å; M336-D346 HydrophobicContact CE-CB 3.76Å; M336-D346 WeakPolarHBondContact CE-OD1 3.48Å; G344-D346 WeakPolarHBondContact CA-OD1 2.92Å; G344-D346 PolarHBondContact N-OD1 2.79Å; G344-D346 PolarHBondContact O-N 2.97Å; D346-A349 PolarHBondContact O-N 3.48Å; D346-Q350 WeakPolarHBondContact O-CB 2.96Å; D346-Q350 PolarHBondContact O-N 3.14Å; D346-V374 HydrophobicContact CB-CG1 3.88Å |
| 347 | R | 87.7 | Confident | 77 | Confident | 119 Ų | 119 | 59.4 Ų | 59.4 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.9 | -44.1 | 179 | -56.4 | -175.1 | -179 | -172.6 | -0.2 | 110.9 | G344 L345 A349 Q350 E351 | G344-R347 WeakPolarHBondContact O-CB 3.24Å; G344-R347 PolarHBondContact O-N 2.68Å; L345-R347 VanDerWaalsContact C-N 3.33Å; R347-A349 VanDerWaalsContact C-N 3.32Å; R347-A349 PolarHBondContact O-N 2.87Å; R347-Q350 CarbonylContact O-C 3.5Å; R347-Q350 PolarHBondContact O-N 3.01Å; R347-Q350 VanDerWaalsContact O-N 3.11Å; R347-E351 WeakPolarHBondContact O-CG 3.48Å; R347-E351 PolarHBondContact O-N 3.46Å |
| 348 | V | 85.8 | Confident | 79 | Confident | 20 Ų | 20 | 55 Ų | 55 | 12% | 0.121 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 176.5 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | G344 L345 E351 A352 T685 Y689 | G344-V348 PolarHBondContact O-N 3.12Å; L345-V348 PolarHBondContact O-N 2.98Å; V348-E351 PolarHBondContact O-N 2.96Å; V348-A352 PolarHBondContact O-N 2.92Å; V348-T685 WeakPolarHBondContact CG1-O 3.44Å; V348-T685 HydrophobicContact CG2-CG2 4.13Å; V348-Y689 HydrophobicContact CG1-CD2 4.25Å |
| 349 | A | 90.6 | Very high | 80.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | F334 L345 D346 R347 A352 V353 L372 T688 V692 | F334-A349 HydrophobicContact CE1-CB 4.48Å; F334-A349 HydrophobicContact CZ-CB 3.69Å; L345-A349 WeakPolarHBondContact O-CB 3.29Å; L345-A349 PolarHBondContact O-N 2.98Å; D346-A349 PolarHBondContact O-N 3.48Å; R347-A349 VanDerWaalsContact C-N 3.32Å; R347-A349 PolarHBondContact O-N 2.87Å; A349-A352 PolarHBondContact O-N 3.2Å; A349-V353 VanDerWaalsContact O-CG2 3.31Å; A349-V353 WeakPolarHBondContact O-CG2 3.16Å; A349-V353 PolarHBondContact O-N 3.28Å; A349-L372 HydrophobicContact CB-CD1 4.46Å; A349-L372 HydrophobicContact CB-CD2 3.65Å; A349-T688 HydrophobicContact CB-CG2 3.91Å; A349-V692 HydrophobicContact CB-CG2 4.08Å |
| 350 | Q | 93.2 | Very high | 82.6 | Confident | 67 Ų | 67 | 48.8 Ų | 48.8 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.7 | -37.4 | 176.7 | -173.8 | 58.6 | 68.7 | 0 | 0 | 112.4 | D346 R347 V353 N354 L372 | D346-Q350 WeakPolarHBondContact O-CB 2.96Å; D346-Q350 PolarHBondContact O-N 3.14Å; R347-Q350 CarbonylContact O-C 3.5Å; R347-Q350 PolarHBondContact O-N 3.01Å; R347-Q350 VanDerWaalsContact O-N 3.11Å; Q350-V353 PolarHBondContact O-N 2.74Å; Q350-N354 PolarHBondContact NE2-OD1 3.48Å; Q350-N354 WeakPolarHBondContact O-CB 3.41Å; Q350-N354 PolarHBondContact O-N 3.29Å; Q350-N354 PolarHBondContact O-ND2 3.27Å; Q350-N354 PolarHBondContact O-OD1 2.55Å; Q350-L372 HydrophobicContact CB-CD2 4.22Å |
| 351 | E | 88.4 | Confident | 83.9 | Confident | 85 Ų | 85 | 46.9 Ų | 46.9 | 40% | 0.397 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 173.2 | -75.4 | 168.1 | -160 | 0 | 0 | 111.5 | R347 V348 V353 N354 F355 | R347-E351 WeakPolarHBondContact O-CG 3.48Å; R347-E351 PolarHBondContact O-N 3.46Å; V348-E351 PolarHBondContact O-N 2.96Å; E351-V353 VanDerWaalsContact C-N 3.35Å; E351-V353 PolarHBondContact O-N 2.89Å; E351-N354 WeakPolarHBondContact O-CB 3.46Å; E351-N354 PolarHBondContact O-N 2.97Å; E351-F355 PolarHBondContact O-N 2.73Å |
| 352 | A | 88.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V348 A349 N354 F355 V356 Y689 V692 | V348-A352 PolarHBondContact O-N 2.92Å; A349-A352 PolarHBondContact O-N 3.2Å; A352-N354 VanDerWaalsContact C-N 3.34Å; A352-F355 PolarHBondContact O-N 2.95Å; A352-V356 WeakPolarHBondContact O-CB 3.21Å; A352-V356 WeakPolarHBondContact O-CG2 3.46Å; A352-V356 PolarHBondContact O-N 2.62Å; A352-Y689 HydrophobicContact CB-CD1 4.29Å; A352-Y689 HydrophobicContact CB-CD2 3.62Å; A352-Y689 HydrophobicContact CB-CE1 4.29Å; A352-Y689 HydrophobicContact CB-CE2 3.62Å; A352-Y689 HydrophobicContact CB-CG 3.96Å; A352-V692 HydrophobicContact CB-CB 3.59Å; A352-V692 HydrophobicContact CB-CG1 3.68Å; A352-V692 HydrophobicContact CB-CG2 3.9Å |
| 353 | V | 93.5 | Very high | 86.6 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.3 | -38.8 | 173.4 | 165.9 | 0 | 0 | 0 | 0 | 111.2 | A349 Q350 E351 N357 L370 L372 V692 | A349-V353 VanDerWaalsContact O-CG2 3.31Å; A349-V353 WeakPolarHBondContact O-CG2 3.16Å; A349-V353 PolarHBondContact O-N 3.28Å; Q350-V353 PolarHBondContact O-N 2.74Å; E351-V353 VanDerWaalsContact C-N 3.35Å; E351-V353 PolarHBondContact O-N 2.89Å; V353-N357 WeakPolarHBondContact O-CB 3.39Å; V353-N357 PolarHBondContact O-N 2.78Å; V353-N357 VanDerWaalsContact O-N 3.14Å; V353-N357 PolarHBondContact O-ND2 3.47Å; V353-L370 HydrophobicContact CG1-CB 4.22Å; V353-L370 HydrophobicContact CG1-CG 4.37Å; V353-L370 WeakPolarHBondContact CG1-O 3.47Å; V353-L370 HydrophobicContact CG2-CD2 3.94Å; V353-L370 HydrophobicContact CG2-CG 4.22Å; V353-L372 HydrophobicContact CG2-CB 4.36Å; V353-V692 HydrophobicContact CG2-CG1 3.75Å; V353-V692 HydrophobicContact CG2-CG2 4.44Å |
| 354 | N | 92.3 | Very high | 87.6 | Confident | 88 Ų | 88 | 47.9 Ų | 47.9 | 47% | 0.471 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.7 | -45.2 | 175.6 | -66.2 | -14.5 | 0 | 0 | 0 | 111.2 | Q350 E351 A352 N357 A358 | Q350-N354 PolarHBondContact NE2-OD1 3.48Å; Q350-N354 WeakPolarHBondContact O-CB 3.41Å; Q350-N354 PolarHBondContact O-N 3.29Å; Q350-N354 PolarHBondContact O-ND2 3.27Å; Q350-N354 PolarHBondContact O-OD1 2.55Å; E351-N354 WeakPolarHBondContact O-CB 3.46Å; E351-N354 PolarHBondContact O-N 2.97Å; A352-N354 VanDerWaalsContact C-N 3.34Å; N354-N357 PolarHBondContact O-N 3.05Å; N354-A358 WeakPolarHBondContact O-CB 3.3Å; N354-A358 PolarHBondContact O-N 3.34Å; N354-A358 VanDerWaalsContact O-N 3.08Å |
| 355 | F | 89.3 | Confident | 88.1 | Confident | 84 Ų | 84 | 51.6 Ų | 51.6 | 37% | 0.368 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.8 | -53.2 | 174.6 | 170 | -98.4 | 0 | 0 | 0 | 111.8 | E351 A352 N357 A358 D359 Y362 Y689 I693 | E351-F355 PolarHBondContact O-N 2.73Å; A352-F355 PolarHBondContact O-N 2.95Å; F355-N357 PolarHBondContact O-N 3.17Å; F355-N357 VanDerWaalsContact O-N 3.16Å; F355-A358 PolarHBondContact O-N 3.19Å; F355-D359 HydrophobicContact CE1-CB 4.47Å; F355-D359 HydrophobicContact CE2-CB 4.38Å; F355-D359 HydrophobicContact CZ-CB 4.21Å; F355-D359 WeakPolarHBondContact O-CB 3.37Å; F355-D359 PolarHBondContact O-N 2.99Å; F355-Y362 HydrophobicContact CE1-CE2 4.17Å; F355-Y689 WeakPolarHBondContact CB-OH 3.21Å; F355-Y689 WeakPolarHBondContact CG-OH 3.3Å; F355-I693 HydrophobicContact CD1-CD1 3.82Å; F355-I693 HydrophobicContact CE1-CD1 4.07Å |
| 356 | V | 89.5 | Confident | 88.1 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58 | -30.3 | 179.3 | 162.6 | 0 | 0 | 0 | 0 | 113.1 | A352 Y362 F363 L370 V692 I693 A696 | A352-V356 WeakPolarHBondContact O-CB 3.21Å; A352-V356 WeakPolarHBondContact O-CG2 3.46Å; A352-V356 PolarHBondContact O-N 2.62Å; V356-Y362 HydrophobicContact CG1-CD1 4.33Å; V356-Y362 HydrophobicContact CG1-CG 4.37Å; V356-Y362 HydrophobicContact CG2-CD1 4.27Å; V356-Y362 HydrophobicContact CG2-CG 4.45Å; V356-Y362 VanDerWaalsContact O-CB 3.29Å; V356-Y362 WeakPolarHBondContact O-CB 3.46Å; V356-F363 HydrophobicContact CG1-CD2 3.55Å; V356-F363 HydrophobicContact CG1-CE2 3.86Å; V356-F363 PolarHBondContact O-N 2.8Å; V356-F363 VanDerWaalsContact O-N 3.16Å; V356-L370 HydrophobicContact CB-CD2 4.48Å; V356-L370 HydrophobicContact CG1-CB 4.36Å; V356-L370 HydrophobicContact CG1-CD2 3.87Å; V356-V692 HydrophobicContact CG2-CG1 4.47Å; V356-I693 HydrophobicContact CG2-CD1 3.57Å; V356-A696 HydrophobicContact CB-CB 4.3Å; V356-A696 HydrophobicContact CG1-CB 3.56Å; V356-A696 HydrophobicContact CG2-CB 3.7Å |
| 357 | N | 94 | Very high | 88.1 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 22% | 0.219 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -80.4 | -27.3 | 175.3 | -78.2 | -46.2 | 0 | 0 | 0 | 113.9 | V353 N354 F355 R364 A369 L370 | V353-N357 WeakPolarHBondContact O-CB 3.39Å; V353-N357 PolarHBondContact O-N 2.78Å; V353-N357 VanDerWaalsContact O-N 3.14Å; V353-N357 PolarHBondContact O-ND2 3.47Å; N354-N357 PolarHBondContact O-N 3.05Å; F355-N357 PolarHBondContact O-N 3.17Å; F355-N357 VanDerWaalsContact O-N 3.16Å; N357-R364 WeakPolarHBondContact O-CA 3.26Å; N357-A369 VanDerWaalsContact OD1-CA 3.29Å; N357-A369 WeakPolarHBondContact OD1-CA 3.23Å; N357-L370 PolarHBondContact ND2-O 2.89Å; N357-L370 PolarHBondContact OD1-N 2.71Å |
| 358 | A | 87.5 | Confident | 88.2 | Confident | 57 Ų | 57 | 47.4 Ų | 47.4 | 47% | 0.471 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -88.5 | -23.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N354 F355 R364 | N354-A358 WeakPolarHBondContact O-CB 3.3Å; N354-A358 PolarHBondContact O-N 3.34Å; N354-A358 VanDerWaalsContact O-N 3.08Å; F355-A358 PolarHBondContact O-N 3.19Å; A358-R364 WeakPolarHBondContact O-CB 3.27Å; A358-R364 WeakPolarHBondContact O-CD 3.39Å; A358-R364 WeakPolarHBondContact O-CG 3.38Å; A358-R364 PolarHBondContact O-NH1 3.33Å |
| 359 | D | 83.6 | Confident | 88.6 | Confident | 41 Ų | 41 | 47.1 Ų | 47.1 | 22% | 0.219 | 24% | 0.244 | C | C | . | . | trans | -83.1 | 138.2 | -176.2 | -168.1 | -70.2 | 0 | 0 | 0 | 113.6 | F355 D361 Y362 R364 | F355-D359 HydrophobicContact CE1-CB 4.47Å; F355-D359 HydrophobicContact CE2-CB 4.38Å; F355-D359 HydrophobicContact CZ-CB 4.21Å; F355-D359 WeakPolarHBondContact O-CB 3.37Å; F355-D359 PolarHBondContact O-N 2.99Å; D359-D361 WeakPolarHBondContact OD1-CB 3.07Å; D359-D361 PolarHBondContact OD1-N 3.12Å; D359-Y362 HydrophobicContact CB-CD2 3.95Å; D359-Y362 PolarHBondContact O-N 3.46Å; D359-R364 VanDerWaalsContact C-CB 3.46Å; D359-R364 WeakPolarHBondContact O-CB 3.48Å; D359-R364 PolarHBondContact O-N 3.1Å; D359-R364 VanDerWaalsContact O-N 3.09Å | ||
| 360 | S | 83.3 | Confident | 88.8 | Confident | 58 Ų | 58 | 47.4 Ų | 47.4 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -26.7 | -177.2 | 45.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 361 | D | 80.4 | Confident | 88.9 | Confident | 107 Ų | 107 | 45.5 Ų | 45.5 | 57% | 0.572 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -15.9 | 179.1 | -70.4 | 2.8 | 0 | 0 | 0 | 111.2 | D359 R704 | D359-D361 WeakPolarHBondContact OD1-CB 3.07Å; D359-D361 PolarHBondContact OD1-N 3.12Å; D361-R704 PolarHBondContact O-NH2 2.92Å |
| 362 | Y | 86.3 | Confident | 89.2 | Confident | 44 Ų | 44 | 42.5 Ų | 42.5 | 17% | 0.173 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -114.1 | 175.2 | -60 | -95.3 | 0 | 0 | 0 | 112 | F355 V356 D359 I693 A696 V700 | F355-Y362 HydrophobicContact CE1-CE2 4.17Å; V356-Y362 HydrophobicContact CG1-CD1 4.33Å; V356-Y362 HydrophobicContact CG1-CG 4.37Å; V356-Y362 HydrophobicContact CG2-CD1 4.27Å; V356-Y362 HydrophobicContact CG2-CG 4.45Å; V356-Y362 VanDerWaalsContact O-CB 3.29Å; V356-Y362 WeakPolarHBondContact O-CB 3.46Å; D359-Y362 HydrophobicContact CB-CD2 3.95Å; D359-Y362 PolarHBondContact O-N 3.46Å; Y362-I693 HydrophobicContact CE1-CG2 4.37Å; Y362-I693 WeakPolarHBondContact OH-CG2 3.42Å; Y362-A696 HydrophobicContact CD1-CB 3.91Å; Y362-A696 HydrophobicContact CE1-CB 4.16Å; Y362-V700 HydrophobicContact CD1-CG2 4.25Å |
| 363 | F | 90.1 | Very high | 89.5 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -12.4 | -167 | -68.3 | -47.8 | 0 | 0 | 0 | 115.9 | K325 L328 V356 N365 S366 L370 V699 V700 | K325-F363 PolarHBondContact NZ-O 3.08Å; L328-F363 HydrophobicContact CD1-CZ 4.38Å; V356-F363 HydrophobicContact CG1-CD2 3.55Å; V356-F363 HydrophobicContact CG1-CE2 3.86Å; V356-F363 PolarHBondContact O-N 2.8Å; V356-F363 VanDerWaalsContact O-N 3.16Å; F363-N365 VanDerWaalsContact C-N 3.28Å; F363-N365 PolarHBondContact O-N 3.42Å; F363-N365 VanDerWaalsContact O-N 3.14Å; F363-S366 PolarHBondContact O-N 2.69Å; F363-S366 PolarHBondContact O-OG 3.17Å; F363-L370 HydrophobicContact CD2-CB 3.95Å; F363-L370 HydrophobicContact CE2-CB 3.9Å; F363-L370 HydrophobicContact CE2-CD1 4.23Å; F363-L370 HydrophobicContact CE2-CD2 4.46Å; F363-L370 HydrophobicContact CE2-CG 4.44Å; F363-V699 HydrophobicContact CE1-CG1 4.37Å; F363-V699 HydrophobicContact CZ-CB 4.36Å; F363-V699 HydrophobicContact CZ-CG1 3.88Å; F363-V700 HydrophobicContact CD1-CG2 3.96Å; F363-V700 HydrophobicContact CE1-CG2 3.53Å; F363-V700 HydrophobicContact CE2-CG2 4.47Å; F363-V700 HydrophobicContact CZ-CG2 3.8Å |
| 364 | R | 87.1 | Confident | 89.4 | Confident | 140 Ų | 140 | 46.9 Ų | 46.9 | 53% | 0.528 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -45.7 | -175.2 | -176.1 | -155.9 | -167.2 | 129 | -9.7 | 113.3 | K325 N357 A358 D359 | K325-R364 PolarHBondContact NZ-O 2.9Å; N357-R364 WeakPolarHBondContact O-CA 3.26Å; A358-R364 WeakPolarHBondContact O-CB 3.27Å; A358-R364 WeakPolarHBondContact O-CD 3.39Å; A358-R364 WeakPolarHBondContact O-CG 3.38Å; A358-R364 PolarHBondContact O-NH1 3.33Å; D359-R364 VanDerWaalsContact C-CB 3.46Å; D359-R364 WeakPolarHBondContact O-CB 3.48Å; D359-R364 PolarHBondContact O-N 3.1Å; D359-R364 VanDerWaalsContact O-N 3.09Å |
| 365 | N | 85.9 | Confident | 89.3 | Confident | 97 Ų | 97 | 45.5 Ų | 45.5 | 52% | 0.519 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 18 | -176.5 | -62.2 | -23.7 | 0 | 0 | 0 | 113.5 | W35 F363 | W35-N365 WeakPolarHBondContact CB-O 3.31Å; F363-N365 VanDerWaalsContact C-N 3.28Å; F363-N365 PolarHBondContact O-N 3.42Å; F363-N365 VanDerWaalsContact O-N 3.14Å |
| 366 | S | 86.4 | Confident | 88.9 | Confident | 24 Ų | 24 | 45.5 Ų | 45.5 | 17% | 0.168 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -111.8 | 166.9 | 178.9 | 84.2 | 0 | 0 | 0 | 0 | 112.4 | K325 F363 Y368 | K325-S366 WeakPolarHBondContact CE-O 3.36Å; K325-S366 PolarHBondContact NZ-O 2.83Å; F363-S366 PolarHBondContact O-N 2.69Å; F363-S366 PolarHBondContact O-OG 3.17Å; S366-Y368 PolarHBondContact O-N 2.88Å; S366-Y368 PolarHBondContact OG-N 2.85Å; S366-Y368 VanDerWaalsContact OG-N 3.14Å; S366-Y368 PolarHBondContact OG-O 3.24Å |
| 367 | E | 86.2 | Confident | 88.6 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -75.8 | -4.5 | 171.9 | 81.2 | 171 | 124.8 | 0 | 0 | 114.5 | W35 R37 T38 K325 L326 | W35-E367 VanDerWaalsContact CD1-CB 3.42Å; W35-E367 HydrophobicContact CG-CB 4.43Å; R37-E367 VanDerWaalsContact CA-OE1 3.29Å; R37-E367 WeakPolarHBondContact CA-OE1 3.17Å; R37-E367 WeakPolarHBondContact CD-OE2 3.35Å; R37-E367 HydrophobicContact CG-CB 4.39Å; R37-E367 VanDerWaalsContact CG-OE2 3.24Å; R37-E367 WeakPolarHBondContact CG-OE2 3.4Å; R37-E367 IonicContact CZ-OE2 2.76Å; R37-E367 IonicContact NE-OE2 3.25Å; R37-E367 IonicContact NH1-OE2 3.43Å; R37-E367 PolarHBondContact NH1-OE2 3.34Å; T38-E367 PolarHBondContact N-OE1 3.31Å; K325-E367 CarbonylContact C-O 3.58Å; K325-E367 WeakPolarHBondContact CA-O 3.49Å; L326-E367 PolarHBondContact N-O 3.34Å |
| 368 | Y | 91.2 | Very high | 88 | Confident | 20 Ų | 20 | 45.4 Ų | 45.4 | 8% | 0.078 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 157.6 | -178 | -45.4 | -78.2 | 0 | 0 | 0 | 112 | K325 L326 L328 S366 L703 P707 A710 | K325-Y368 WeakPolarHBondContact CD-O 3.43Å; L326-Y368 HydrophobicContact CB-CD1 4.27Å; L326-Y368 HydrophobicContact CD2-CD1 4.01Å; L326-Y368 HydrophobicContact CD2-CE1 4Å; L326-Y368 HydrophobicContact CG-CD1 4.47Å; L326-Y368 CarbonylContact O-C 3.42Å; L326-Y368 VanDerWaalsContact O-CA 3.31Å; L326-Y368 WeakPolarHBondContact O-CA 3.46Å; L328-Y368 HydrophobicContact CD1-CD1 4.13Å; L328-Y368 HydrophobicContact CD1-CG 4.2Å; L328-Y368 HydrophobicContact CD2-CD1 4.41Å; L328-Y368 HydrophobicContact CG-CD1 4.45Å; S366-Y368 PolarHBondContact O-N 2.88Å; S366-Y368 PolarHBondContact OG-N 2.85Å; S366-Y368 VanDerWaalsContact OG-N 3.14Å; S366-Y368 PolarHBondContact OG-O 3.24Å; Y368-L703 HydrophobicContact CD1-CD1 4.08Å; Y368-L703 HydrophobicContact CD2-CD1 3.82Å; Y368-L703 HydrophobicContact CE1-CD1 4.08Å; Y368-L703 HydrophobicContact CE2-CB 4.13Å; Y368-L703 HydrophobicContact CE2-CD1 3.83Å; Y368-L703 HydrophobicContact CE2-CG 4.47Å; Y368-L703 HydrophobicContact CG-CD1 3.95Å; Y368-P707 PolarHBondContact OH-O 2.91Å; Y368-P707 VanDerWaalsContact OH-O 3.08Å; Y368-A710 HydrophobicContact CD1-CB 4.21Å; Y368-A710 HydrophobicContact CE1-CB 3.46Å; Y368-A710 VanDerWaalsContact CE1-CB 3.46Å |
| 369 | A | 93.1 | Very high | 87.4 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 12% | 0.116 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 148.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | K325 L326 N327 L328 N357 | K325-A369 HydrophobicContact CB-CB 3.97Å; K325-A369 HydrophobicContact CD-CB 4.15Å; L326-A369 PolarHBondContact O-N 3.16Å; N327-A369 CarbonylContact C-O 3.59Å; N327-A369 WeakPolarHBondContact CA-O 3.47Å; L328-A369 PolarHBondContact N-O 3.17Å; N357-A369 VanDerWaalsContact OD1-CA 3.29Å; N357-A369 WeakPolarHBondContact OD1-CA 3.23Å |
| 370 | L | 95 | Very high | 87.3 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 136.8 | 175.2 | -162.3 | 62.3 | 0 | 0 | 0 | 109.9 | L328 V330 V353 V356 N357 F363 I401 V692 A696 | L328-L370 CarbonylContact O-C 3.58Å; L328-L370 WeakPolarHBondContact O-CA 3Å; V330-L370 HydrophobicContact CG2-CD1 3.81Å; V330-L370 HydrophobicContact CG2-CG 4.32Å; V353-L370 HydrophobicContact CG1-CB 4.22Å; V353-L370 HydrophobicContact CG1-CG 4.37Å; V353-L370 WeakPolarHBondContact CG1-O 3.47Å; V353-L370 HydrophobicContact CG2-CD2 3.94Å; V353-L370 HydrophobicContact CG2-CG 4.22Å; V356-L370 HydrophobicContact CB-CD2 4.48Å; V356-L370 HydrophobicContact CG1-CB 4.36Å; V356-L370 HydrophobicContact CG1-CD2 3.87Å; N357-L370 PolarHBondContact ND2-O 2.89Å; N357-L370 PolarHBondContact OD1-N 2.71Å; F363-L370 HydrophobicContact CD2-CB 3.95Å; F363-L370 HydrophobicContact CE2-CB 3.9Å; F363-L370 HydrophobicContact CE2-CD1 4.23Å; F363-L370 HydrophobicContact CE2-CD2 4.46Å; F363-L370 HydrophobicContact CE2-CG 4.44Å; L370-I401 HydrophobicContact CD1-CD1 3.72Å; L370-V692 HydrophobicContact CD2-CG1 4.09Å; L370-A696 HydrophobicContact CD2-CB 4.26Å |
| 371 | S | 95.8 | Very high | 87.2 | Confident | 27 Ų | 27 | 46.7 Ų | 46.7 | 19% | 0.189 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145.4 | 174.1 | 48.1 | 0 | 0 | 0 | 0 | 111.6 | L328 T329 V330 | L328-S371 PolarHBondContact O-N 3.12Å; L328-S371 PolarHBondContact O-OG 2.85Å; T329-S371 CarbonylContact C-O 3.58Å; T329-S371 WeakPolarHBondContact CA-O 2.94Å; T329-S371 PolarHBondContact OG1-OG 2.93Å; V330-S371 PolarHBondContact N-O 3.4Å |
| 372 | L | 94.8 | Very high | 87.3 | Confident | 22 Ų | 22 | 47 Ų | 47 | 12% | 0.115 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.6 | -179.4 | -167.8 | 66.5 | 0 | 0 | 0 | 110.3 | V330 A349 Q350 V353 V374 | V330-L372 HydrophobicContact CB-CD1 4.06Å; V330-L372 HydrophobicContact CG1-CD1 3.92Å; V330-L372 CarbonylContact O-C 3.57Å; V330-L372 WeakPolarHBondContact O-CA 3.36Å; A349-L372 HydrophobicContact CB-CD1 4.46Å; A349-L372 HydrophobicContact CB-CD2 3.65Å; Q350-L372 HydrophobicContact CB-CD2 4.22Å; V353-L372 HydrophobicContact CG2-CB 4.36Å; L372-V374 HydrophobicContact CB-CG2 4.39Å; L372-V374 HydrophobicContact CD2-CG2 3.54Å; L372-V374 HydrophobicContact CG-CG2 3.67Å |
| 373 | D | 94 | Very high | 87.3 | Confident | 43 Ų | 43 | 47.4 Ų | 47.4 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 91.9 | 170.1 | 179.5 | 33.3 | 0 | 0 | 0 | 108.7 | T329 V330 G332 R375 | T329-D373 HydrophobicContact CG2-CB 3.71Å; V330-D373 PolarHBondContact O-N 3.18Å; G332-D373 PolarHBondContact N-O 3.35Å; D373-R375 VanDerWaalsContact CG-NE 3.34Å; D373-R375 PolarHBondContact O-N 2.78Å; D373-R375 IonicContact OD1-CZ 3.53Å; D373-R375 IonicContact OD1-NE 2.73Å; D373-R375 PolarHBondContact OD1-NE 3.03Å; D373-R375 IonicContact OD1-NH2 2.67Å; D373-R375 PolarHBondContact OD1-NH2 3.37Å; D373-R375 VanDerWaalsContact OD1-NH2 3.16Å; D373-R375 IonicContact OD2-CZ 3.7Å; D373-R375 VanDerWaalsContact OD2-CZ 3.28Å; D373-R375 IonicContact OD2-NE 3.18Å; D373-R375 PolarHBondContact OD2-NE 3.43Å; D373-R375 IonicContact OD2-NH2 2.71Å; D373-R375 PolarHBondContact OD2-NH2 3.05Å |
| 374 | V | 91.7 | Very high | 87.2 | Confident | 50 Ų | 50 | 47.3 Ų | 47.3 | 30% | 0.303 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 119.1 | -173.2 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | F334 D346 L372 N376 | F334-V374 HydrophobicContact CD2-CG1 4.13Å; F334-V374 HydrophobicContact CE2-CG1 4.46Å; D346-V374 HydrophobicContact CB-CG1 3.88Å; L372-V374 HydrophobicContact CB-CG2 4.39Å; L372-V374 HydrophobicContact CD2-CG2 3.54Å; L372-V374 HydrophobicContact CG-CG2 3.67Å; V374-N376 VanDerWaalsContact CG1-OD1 3.23Å; V374-N376 WeakPolarHBondContact CG1-OD1 3.47Å |
| 375 | R | 89.9 | Confident | 87.3 | Confident | 59 Ų | 59 | 42.7 Ų | 42.7 | 22% | 0.223 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 104.7 | 174.9 | -53.9 | -52.6 | -178.9 | 142 | -18.6 | 109.6 | G332 L333 F334 D373 L377 D387 V391 | G332-R375 PolarHBondContact O-N 3.08Å; L333-R375 HydrophobicContact CD2-CB 3.85Å; L333-R375 HydrophobicContact CD2-CG 3.81Å; F334-R375 PolarHBondContact N-O 3.42Å; D373-R375 VanDerWaalsContact CG-NE 3.34Å; D373-R375 PolarHBondContact O-N 2.78Å; D373-R375 IonicContact OD1-CZ 3.53Å; D373-R375 IonicContact OD1-NE 2.73Å; D373-R375 PolarHBondContact OD1-NE 3.03Å; D373-R375 IonicContact OD1-NH2 2.67Å; D373-R375 PolarHBondContact OD1-NH2 3.37Å; D373-R375 VanDerWaalsContact OD1-NH2 3.16Å; D373-R375 IonicContact OD2-CZ 3.7Å; D373-R375 VanDerWaalsContact OD2-CZ 3.28Å; D373-R375 IonicContact OD2-NE 3.18Å; D373-R375 PolarHBondContact OD2-NE 3.43Å; D373-R375 IonicContact OD2-NH2 2.71Å; D373-R375 PolarHBondContact OD2-NH2 3.05Å; R375-L377 HydrophobicContact CB-CD1 4.12Å; R375-L377 HydrophobicContact CB-CD2 4.44Å; R375-L377 HydrophobicContact CB-CG 4.15Å; R375-L377 PolarHBondContact O-N 3.35Å; R375-D387 WeakPolarHBondContact CD-OD2 3.19Å; R375-D387 IonicContact CZ-OD2 2.9Å; R375-D387 IonicContact NE-OD2 3.5Å; R375-D387 IonicContact NH1-OD2 2.89Å; R375-D387 PolarHBondContact NH1-OD2 3Å; R375-V391 HydrophobicContact CG-CG2 4.16Å |
| 376 | N | 80.9 | Confident | 87.5 | Confident | 84 Ų | 84 | 40.9 Ų | 40.9 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 108.3 | 175.8 | -66.2 | -11.8 | 0 | 0 | 0 | 109 | M336 V374 | M336-N376 HydrophobicContact CB-CB 4.48Å; M336-N376 WeakPolarHBondContact CE-OD1 3.49Å; M336-N376 HydrophobicContact CG-CB 4.21Å; M336-N376 HydrophobicContact SD-CB 3.97Å; V374-N376 VanDerWaalsContact CG1-OD1 3.23Å; V374-N376 WeakPolarHBondContact CG1-OD1 3.47Å |
| 377 | L | 83.4 | Confident | 87.7 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 163.2 | -167.4 | -62.3 | 166.7 | 0 | 0 | 0 | 111.9 | L333 F334 S335 M336 Y337 R375 V383 V384 D387 L407 | L333-L377 HydrophobicContact CB-CD1 4.08Å; L333-L377 HydrophobicContact CD2-CD1 4.28Å; F334-L377 PolarHBondContact O-N 3.41Å; S335-L377 CarbonylContact C-O 3.46Å; S335-L377 WeakPolarHBondContact CA-O 3.29Å; M336-L377 PolarHBondContact N-O 3.07Å; Y337-L377 PolarHBondContact N-O 2.8Å; R375-L377 HydrophobicContact CB-CD1 4.12Å; R375-L377 HydrophobicContact CB-CD2 4.44Å; R375-L377 HydrophobicContact CB-CG 4.15Å; R375-L377 PolarHBondContact O-N 3.35Å; L377-V383 HydrophobicContact CD2-CG1 4.42Å; L377-V384 HydrophobicContact CB-CG2 4.04Å; L377-V384 HydrophobicContact CD1-CB 4.49Å; L377-V384 HydrophobicContact CD1-CG1 4.33Å; L377-V384 HydrophobicContact CD1-CG2 4.19Å; L377-D387 HydrophobicContact CD2-CB 3.71Å; L377-L407 HydrophobicContact CD1-CD2 4.11Å |
| 378 | T | 81.1 | Confident | 88.1 | Confident | 32 Ų | 32 | 40.4 Ų | 40.4 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 172.9 | 162.4 | 66.1 | 0 | 0 | 0 | 0 | 109.4 | Y337 E380 V384 | Y337-T378 HydrophobicContact CD2-CG2 4.42Å; Y337-T378 CarbonylContact O-C 3.56Å; Y337-T378 WeakPolarHBondContact O-CA 3.36Å; T378-E380 VanDerWaalsContact CB-OE2 3.22Å; T378-E380 WeakPolarHBondContact CB-OE2 3.18Å; T378-E380 WeakPolarHBondContact CG2-OE2 3.43Å; T378-E380 PolarHBondContact O-N 3.17Å; T378-E380 WeakPolarHBondContact OG1-CB 3.39Å; T378-E380 PolarHBondContact OG1-N 2.93Å; T378-E380 PolarHBondContact OG1-OE2 3.44Å; T378-V384 WeakPolarHBondContact O-CG2 3.28Å |
| 379 | C | 75.2 | Confident | 88.1 | Confident | 26 Ų | 26 | 44.3 Ų | 44.3 | 18% | 0.176 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -80.8 | 13.1 | 166.3 | -76.9 | 0 | 0 | 0 | 0 | 113.9 | S335 Y337 P381 C408 S411 | S335-C379 VanDerWaalsContact CB-SG 3.53Å; Y337-C379 PolarHBondContact O-N 3.36Å; C379-P381 WeakPolarHBondContact O-CD 3.33Å; C379-C408 HydrophobicContact CB-CB 3.59Å; C379-C408 WeakPolarHBondContact CB-SG 3.47Å; C379-C408 WeakPolarHBondContact SG-CB 3.3Å; C379-C408 CovalentContact SG-SG 2.04Å; C379-C408 PolarHBondContact SG-SG 3.21Å; C379-S411 PolarHBondContact O-OG 2.91Å |
| 380 | E | 80.9 | Confident | 88.1 | Confident | 106 Ų | 106 | 47.5 Ų | 47.5 | 50% | 0.495 | 25% | 0.253 | S | S | . | . | trans | -82.3 | 118.5 | 179.5 | -61.4 | 158.4 | 136.7 | 0 | 0 | 109.4 | T378 D382 V383 V384 | T378-E380 VanDerWaalsContact CB-OE2 3.22Å; T378-E380 WeakPolarHBondContact CB-OE2 3.18Å; T378-E380 WeakPolarHBondContact CG2-OE2 3.43Å; T378-E380 PolarHBondContact O-N 3.17Å; T378-E380 WeakPolarHBondContact OG1-CB 3.39Å; T378-E380 PolarHBondContact OG1-N 2.93Å; T378-E380 PolarHBondContact OG1-OE2 3.44Å; E380-D382 VanDerWaalsContact C-N 3.26Å; E380-D382 PolarHBondContact O-N 3.08Å; E380-V383 HydrophobicContact CB-CB 4.31Å; E380-V383 HydrophobicContact CB-CG2 4Å; E380-V383 PolarHBondContact O-N 3.24Å; E380-V384 WeakPolarHBondContact O-CG2 3.43Å; E380-V384 PolarHBondContact O-N 2.65Å; E380-V384 VanDerWaalsContact O-N 3.1Å | ||
| 381 | P | 82.1 | Confident | 88 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 34% | 0.338 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.9 | -29.1 | -170 | -27.1 | 35.9 | 0 | 0 | 0 | 115.1 | C379 L385 D410 | C379-P381 WeakPolarHBondContact O-CD 3.33Å; P381-L385 VanDerWaalsContact O-CB 3.3Å; P381-L385 WeakPolarHBondContact O-CB 3.45Å; P381-L385 VanDerWaalsContact O-CG 3.24Å; P381-L385 WeakPolarHBondContact O-CG 3.47Å; P381-L385 PolarHBondContact O-N 3.02Å; P381-D410 HydrophobicContact CG-CB 4.42Å |
| 382 | D | 83.1 | Confident | 87.8 | Confident | 114 Ų | 114 | 47.3 Ų | 47.3 | 61% | 0.61 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -73.1 | -41.4 | 178.3 | 64.6 | -41 | 0 | 0 | 0 | 112.5 | E380 S386 | E380-D382 VanDerWaalsContact C-N 3.26Å; E380-D382 PolarHBondContact O-N 3.08Å; D382-S386 VanDerWaalsContact O-CB 3.22Å; D382-S386 WeakPolarHBondContact O-CB 3.48Å; D382-S386 PolarHBondContact O-N 2.82Å |
| 383 | V | 85.5 | Confident | 87.6 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 32% | 0.315 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 172.3 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | L377 E380 S386 D387 | L377-V383 HydrophobicContact CD2-CG1 4.42Å; E380-V383 HydrophobicContact CB-CB 4.31Å; E380-V383 HydrophobicContact CB-CG2 4Å; E380-V383 PolarHBondContact O-N 3.24Å; V383-S386 PolarHBondContact O-N 3.5Å; V383-D387 PolarHBondContact O-N 2.93Å; V383-D387 VanDerWaalsContact O-N 3.15Å |
| 384 | V | 88 | Confident | 87.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 179 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | L377 T378 E380 Y388 L407 V415 | L377-V384 HydrophobicContact CB-CG2 4.04Å; L377-V384 HydrophobicContact CD1-CB 4.49Å; L377-V384 HydrophobicContact CD1-CG1 4.33Å; L377-V384 HydrophobicContact CD1-CG2 4.19Å; T378-V384 WeakPolarHBondContact O-CG2 3.28Å; E380-V384 WeakPolarHBondContact O-CG2 3.43Å; E380-V384 PolarHBondContact O-N 2.65Å; E380-V384 VanDerWaalsContact O-N 3.1Å; V384-Y388 WeakPolarHBondContact O-CB 3.49Å; V384-Y388 PolarHBondContact O-N 3.29Å; V384-Y388 VanDerWaalsContact O-N 3.09Å; V384-L407 HydrophobicContact CG1-CD1 3.69Å; V384-L407 HydrophobicContact CG1-CD2 4.11Å; V384-L407 HydrophobicContact CG2-CD2 4.18Å; V384-V415 HydrophobicContact CG1-CG2 3.44Å; V384-V415 VanDerWaalsContact CG1-CG2 3.44Å |
| 385 | L | 90 | Very high | 87.1 | Confident | 43 Ų | 43 | 53 Ų | 53 | 23% | 0.225 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 174.3 | -81.1 | 170.2 | 0 | 0 | 0 | 112.1 | P381 D387 Y388 F389 A414 L418 | P381-L385 VanDerWaalsContact O-CB 3.3Å; P381-L385 WeakPolarHBondContact O-CB 3.45Å; P381-L385 VanDerWaalsContact O-CG 3.24Å; P381-L385 WeakPolarHBondContact O-CG 3.47Å; P381-L385 PolarHBondContact O-N 3.02Å; L385-D387 PolarHBondContact O-N 3.31Å; L385-Y388 PolarHBondContact O-N 3.02Å; L385-F389 WeakPolarHBondContact O-CD2 3.39Å; L385-F389 PolarHBondContact O-N 3.33Å; L385-A414 HydrophobicContact CD1-CB 3.78Å; L385-A414 HydrophobicContact CD2-CB 3.84Å; L385-A414 HydrophobicContact CG-CB 4.02Å; L385-L418 HydrophobicContact CD2-CD2 4.39Å |
| 386 | S | 89.2 | Confident | 86.9 | Confident | 59 Ų | 59 | 54.8 Ų | 54.8 | 41% | 0.413 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | -177.8 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | D382 V383 K390 | D382-S386 VanDerWaalsContact O-CB 3.22Å; D382-S386 WeakPolarHBondContact O-CB 3.48Å; D382-S386 PolarHBondContact O-N 2.82Å; V383-S386 PolarHBondContact O-N 3.5Å; S386-K390 WeakPolarHBondContact O-CE 3.3Å; S386-K390 WeakPolarHBondContact O-CG 3.46Å; S386-K390 PolarHBondContact O-N 3.23Å |
| 387 | D | 90.8 | Very high | 87 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 17% | 0.171 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.2 | -32.9 | 177 | -118.8 | 64.9 | 0 | 0 | 0 | 112.8 | R375 L377 V383 L385 F389 K390 V391 | R375-D387 WeakPolarHBondContact CD-OD2 3.19Å; R375-D387 IonicContact CZ-OD2 2.9Å; R375-D387 IonicContact NE-OD2 3.5Å; R375-D387 IonicContact NH1-OD2 2.89Å; R375-D387 PolarHBondContact NH1-OD2 3Å; L377-D387 HydrophobicContact CD2-CB 3.71Å; V383-D387 PolarHBondContact O-N 2.93Å; V383-D387 VanDerWaalsContact O-N 3.15Å; L385-D387 PolarHBondContact O-N 3.31Å; D387-F389 VanDerWaalsContact C-N 3.33Å; D387-F389 PolarHBondContact O-N 3.02Å; D387-K390 WeakPolarHBondContact O-CB 3.32Å; D387-K390 PolarHBondContact O-N 2.91Å; D387-K390 VanDerWaalsContact O-N 3.11Å; D387-K390 WeakPolarHBondContact OD1-CD 3.45Å; D387-K390 IonicContact OD1-NZ 3.88Å; D387-K390 PolarHBondContact OD1-NZ 3.2Å; D387-V391 PolarHBondContact O-N 2.89Å; D387-V391 VanDerWaalsContact O-N 3.09Å |
| 388 | Y | 93.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.8 | -33.6 | 173.5 | -171.7 | -132.3 | 0 | 0 | 0 | 112.8 | L333 V384 L385 K390 V391 L392 S403 V415 L418 A419 | L333-Y388 HydrophobicContact CD1-CD2 3.84Å; L333-Y388 HydrophobicContact CD1-CE2 4.39Å; L333-Y388 HydrophobicContact CD1-CG 4.21Å; V384-Y388 WeakPolarHBondContact O-CB 3.49Å; V384-Y388 PolarHBondContact O-N 3.29Å; V384-Y388 VanDerWaalsContact O-N 3.09Å; L385-Y388 PolarHBondContact O-N 3.02Å; Y388-K390 VanDerWaalsContact C-N 3.31Å; Y388-K390 PolarHBondContact O-N 3.41Å; Y388-V391 HydrophobicContact CD2-CB 4.2Å; Y388-V391 HydrophobicContact CD2-CG1 4.22Å; Y388-V391 HydrophobicContact CE2-CG1 4.3Å; Y388-V391 WeakPolarHBondContact O-CB 3.45Å; Y388-V391 PolarHBondContact O-N 2.95Å; Y388-L392 HydrophobicContact CD1-CD1 3.98Å; Y388-L392 HydrophobicContact CD2-CG 4.4Å; Y388-L392 HydrophobicContact CE1-CD1 3.78Å; Y388-L392 HydrophobicContact CE1-CG 4.28Å; Y388-L392 HydrophobicContact CE2-CD1 4.48Å; Y388-L392 HydrophobicContact CE2-CD2 4.19Å; Y388-L392 HydrophobicContact CE2-CG 4.1Å; Y388-L392 HydrophobicContact CG-CD1 4.45Å; Y388-L392 WeakPolarHBondContact O-CG 3.37Å; Y388-L392 PolarHBondContact O-N 2.63Å; Y388-S403 WeakPolarHBondContact CE2-OG 3.37Å; Y388-V415 HydrophobicContact CD1-CB 4.38Å; Y388-V415 HydrophobicContact CD1-CG1 3.66Å; Y388-V415 HydrophobicContact CE1-CG1 3.78Å; Y388-V415 HydrophobicContact CG-CG1 4.11Å; Y388-L418 HydrophobicContact CD1-CD2 4.01Å; Y388-L418 HydrophobicContact CE1-CD2 4.36Å; Y388-L418 HydrophobicContact CE1-CG 4.43Å; Y388-A419 HydrophobicContact CE1-CB 4.05Å; Y388-A419 VanDerWaalsContact OH-CB 3.24Å; Y388-A419 WeakPolarHBondContact OH-CB 3.45Å |
| 389 | F | 92.3 | Very high | 87.6 | Confident | 102 Ų | 102 | 60.9 Ų | 60.9 | 45% | 0.447 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60 | -38.6 | 169.8 | -84.9 | -68 | 0 | 0 | 0 | 112.5 | L385 D387 L392 E393 L418 | L385-F389 WeakPolarHBondContact O-CD2 3.39Å; L385-F389 PolarHBondContact O-N 3.33Å; D387-F389 VanDerWaalsContact C-N 3.33Å; D387-F389 PolarHBondContact O-N 3.02Å; F389-L392 PolarHBondContact O-N 2.97Å; F389-E393 WeakPolarHBondContact O-CB 3.44Å; F389-E393 PolarHBondContact O-N 2.95Å; F389-L418 HydrophobicContact CD1-CD2 4Å; F389-L418 HydrophobicContact CD2-CD2 4.28Å; F389-L418 HydrophobicContact CE1-CD1 4Å; F389-L418 HydrophobicContact CE1-CD2 3.58Å; F389-L418 HydrophobicContact CE1-CG 4.46Å; F389-L418 HydrophobicContact CE2-CD2 3.89Å; F389-L418 HydrophobicContact CG-CD2 4.33Å; F389-L418 HydrophobicContact CZ-CD1 4.15Å; F389-L418 HydrophobicContact CZ-CD2 3.52Å |
| 390 | K | 92.1 | Very high | 88.5 | Confident | 82 Ų | 82 | 59.9 Ų | 59.9 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.7 | -35.1 | 177.5 | -59.4 | 164.5 | -155.7 | 162.4 | 0 | 112.3 | S386 D387 Y388 N394 | S386-K390 WeakPolarHBondContact O-CE 3.3Å; S386-K390 WeakPolarHBondContact O-CG 3.46Å; S386-K390 PolarHBondContact O-N 3.23Å; D387-K390 WeakPolarHBondContact O-CB 3.32Å; D387-K390 PolarHBondContact O-N 2.91Å; D387-K390 VanDerWaalsContact O-N 3.11Å; D387-K390 WeakPolarHBondContact OD1-CD 3.45Å; D387-K390 IonicContact OD1-NZ 3.88Å; D387-K390 PolarHBondContact OD1-NZ 3.2Å; Y388-K390 VanDerWaalsContact C-N 3.31Å; Y388-K390 PolarHBondContact O-N 3.41Å; K390-N394 PolarHBondContact O-N 3.06Å; K390-N394 PolarHBondContact O-ND2 3.29Å |
| 391 | V | 93.1 | Very high | 89.1 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 171.1 | 166.7 | 0 | 0 | 0 | 0 | 110.4 | A331 R375 D387 Y388 N394 A395 L400 | A331-V391 HydrophobicContact CB-CB 4.48Å; A331-V391 HydrophobicContact CB-CG1 3.5Å; A331-V391 VanDerWaalsContact CB-CG1 3.5Å; A331-V391 HydrophobicContact CB-CG2 4.14Å; R375-V391 HydrophobicContact CG-CG2 4.16Å; D387-V391 PolarHBondContact O-N 2.89Å; D387-V391 VanDerWaalsContact O-N 3.09Å; Y388-V391 HydrophobicContact CD2-CB 4.2Å; Y388-V391 HydrophobicContact CD2-CG1 4.22Å; Y388-V391 HydrophobicContact CE2-CG1 4.3Å; Y388-V391 WeakPolarHBondContact O-CB 3.45Å; Y388-V391 PolarHBondContact O-N 2.95Å; V391-N394 PolarHBondContact O-N 3.34Å; V391-A395 PolarHBondContact O-N 3.09Å; V391-A395 VanDerWaalsContact O-N 3.14Å; V391-L400 HydrophobicContact CG1-CD1 4.08Å; V391-L400 HydrophobicContact CG1-CD2 3.83Å |
| 392 | L | 92.4 | Very high | 89.7 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 13% | 0.131 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 179.3 | -69.1 | 172.1 | 0 | 0 | 0 | 113.1 | Y388 F389 N394 A395 L418 R422 Q424 | Y388-L392 HydrophobicContact CD1-CD1 3.98Å; Y388-L392 HydrophobicContact CD2-CG 4.4Å; Y388-L392 HydrophobicContact CE1-CD1 3.78Å; Y388-L392 HydrophobicContact CE1-CG 4.28Å; Y388-L392 HydrophobicContact CE2-CD1 4.48Å; Y388-L392 HydrophobicContact CE2-CD2 4.19Å; Y388-L392 HydrophobicContact CE2-CG 4.1Å; Y388-L392 HydrophobicContact CG-CD1 4.45Å; Y388-L392 WeakPolarHBondContact O-CG 3.37Å; Y388-L392 PolarHBondContact O-N 2.63Å; F389-L392 PolarHBondContact O-N 2.97Å; L392-N394 VanDerWaalsContact C-N 3.3Å; L392-N394 PolarHBondContact O-N 2.99Å; L392-A395 VanDerWaalsContact O-CB 3.31Å; L392-A395 WeakPolarHBondContact O-CB 3.24Å; L392-A395 PolarHBondContact O-N 2.91Å; L392-L418 HydrophobicContact CD1-CD2 3.76Å; L392-L418 HydrophobicContact CD1-CG 3.92Å; L392-R422 HydrophobicContact CD1-CG 4.4Å; L392-Q424 HydrophobicContact CD2-CB 4.38Å; L392-Q424 HydrophobicContact CD2-CG 3.74Å |
| 393 | E | 89.3 | Confident | 90.3 | Very high | 155 Ų | 155 | 47.1 Ų | 47.1 | 72% | 0.724 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.1 | -37.2 | 175.9 | -175.8 | 175.6 | -153.7 | 0 | 0 | 111.9 | F389 | F389-E393 WeakPolarHBondContact O-CB 3.44Å; F389-E393 PolarHBondContact O-N 2.95Å |
| 394 | N | 87.9 | Confident | 90.7 | Very high | 68 Ų | 68 | 44.6 Ų | 44.6 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -90.3 | -2.3 | 179.9 | -74 | -77.9 | 0 | 0 | 0 | 114.5 | K390 V391 L392 V396 N397 T398 | K390-N394 PolarHBondContact O-N 3.06Å; K390-N394 PolarHBondContact O-ND2 3.29Å; V391-N394 PolarHBondContact O-N 3.34Å; L392-N394 VanDerWaalsContact C-N 3.3Å; L392-N394 PolarHBondContact O-N 2.99Å; N394-V396 VanDerWaalsContact C-N 3.29Å; N394-V396 PolarHBondContact O-N 3.43Å; N394-V396 VanDerWaalsContact O-N 3.11Å; N394-N397 WeakPolarHBondContact O-CB 3.21Å; N394-N397 PolarHBondContact O-N 3.25Å; N394-T398 HydrophobicContact CB-CG2 4.13Å; N394-T398 PolarHBondContact O-N 3.39Å; N394-T398 PolarHBondContact O-OG1 3.2Å; N394-T398 VanDerWaalsContact O-OG1 3.12Å |
| 395 | A | 88.5 | Confident | 90.9 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.5 | -37.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115 | V391 L392 R399 L400 | V391-A395 PolarHBondContact O-N 3.09Å; V391-A395 VanDerWaalsContact O-N 3.14Å; L392-A395 VanDerWaalsContact O-CB 3.31Å; L392-A395 WeakPolarHBondContact O-CB 3.24Å; L392-A395 PolarHBondContact O-N 2.91Å; A395-R399 WeakPolarHBondContact O-CA 3.41Å; A395-R399 PolarHBondContact O-N 2.93Å; A395-L400 HydrophobicContact CB-CB 3.79Å; A395-L400 HydrophobicContact CB-CD2 3.81Å; A395-L400 HydrophobicContact CB-CG 4.47Å; A395-L400 PolarHBondContact O-N 3.08Å |
| 396 | V | 84.5 | Confident | 90.9 | Very high | 96 Ų | 96 | 42.7 Ų | 42.7 | 58% | 0.582 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -70.2 | -38.7 | 178 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | N394 D714 | N394-V396 VanDerWaalsContact C-N 3.29Å; N394-V396 PolarHBondContact O-N 3.43Å; N394-V396 VanDerWaalsContact O-N 3.11Å; V396-D714 HydrophobicContact CG2-CB 4.36Å |
| 397 | N | 84.8 | Confident | 90.6 | Very high | 132 Ų | 132 | 40.1 Ų | 40.1 | 71% | 0.706 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -74.1 | -39.2 | 179.9 | -66.7 | -33 | 0 | 0 | 0 | 111.8 | N394 | N394-N397 WeakPolarHBondContact O-CB 3.21Å; N394-N397 PolarHBondContact O-N 3.25Å |
| 398 | T | 86.8 | Confident | 89.9 | Confident | 45 Ų | 45 | 39.6 Ų | 39.6 | 28% | 0.276 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -85.4 | -11.2 | -179.6 | 58 | 0 | 0 | 0 | 0 | 113.7 | T329 N394 | T329-T398 VanDerWaalsContact CB-O 3.24Å; T329-T398 WeakPolarHBondContact CB-O 3.02Å; T329-T398 PolarHBondContact OG1-O 2.96Å; N394-T398 HydrophobicContact CB-CG2 4.13Å; N394-T398 PolarHBondContact O-N 3.39Å; N394-T398 PolarHBondContact O-OG1 3.2Å; N394-T398 VanDerWaalsContact O-OG1 3.12Å |
| 399 | R | 90 | Very high | 88.9 | Confident | 72 Ų | 72 | 41.5 Ų | 41.5 | 27% | 0.272 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 56.2 | -172.8 | -57.7 | -179.8 | -169.1 | -118.6 | 2.6 | 111 | L328 T329 A395 I401 A710 L713 | L328-R399 HydrophobicContact CD2-CB 4.09Å; T329-R399 PolarHBondContact N-O 3.35Å; A395-R399 WeakPolarHBondContact O-CA 3.41Å; A395-R399 PolarHBondContact O-N 2.93Å; R399-I401 PolarHBondContact O-N 3.41Å; R399-A710 PolarHBondContact NH1-O 3.23Å; R399-L713 HydrophobicContact CB-CD1 3.98Å |
| 400 | L | 93.6 | Very high | 87.8 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 124.1 | 178.4 | -174 | 68.4 | 0 | 0 | 0 | 110.4 | T329 A331 V391 A395 G402 | T329-L400 CarbonylContact O-C 3.53Å; T329-L400 VanDerWaalsContact O-CA 3.31Å; T329-L400 WeakPolarHBondContact O-CA 3.35Å; A331-L400 HydrophobicContact CB-CD1 3.9Å; V391-L400 HydrophobicContact CG1-CD1 4.08Å; V391-L400 HydrophobicContact CG1-CD2 3.83Å; A395-L400 HydrophobicContact CB-CB 3.79Å; A395-L400 HydrophobicContact CB-CD2 3.81Å; A395-L400 HydrophobicContact CB-CG 4.47Å; A395-L400 PolarHBondContact O-N 3.08Å; L400-G402 WeakPolarHBondContact CD1-O 3.46Å |
| 401 | I | 93.4 | Very high | 87.2 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -15.5 | 175.1 | 64.8 | 159.3 | 0 | 0 | 0 | 113 | L328 T329 V330 L370 R399 L695 V699 L713 L722 | L328-I401 HydrophobicContact CB-CG2 4.06Å; T329-I401 WeakPolarHBondContact O-CG1 3.43Å; T329-I401 PolarHBondContact O-N 3.23Å; V330-I401 HydrophobicContact CG2-CD1 3.63Å; V330-I401 HydrophobicContact CG2-CG1 3.67Å; L370-I401 HydrophobicContact CD1-CD1 3.72Å; R399-I401 PolarHBondContact O-N 3.41Å; I401-L695 HydrophobicContact CD1-CB 4.01Å; I401-V699 HydrophobicContact CB-CG2 3.97Å; I401-V699 HydrophobicContact CD1-CG2 3.66Å; I401-V699 HydrophobicContact CG1-CG2 4.44Å; I401-V699 HydrophobicContact CG2-CG2 3.97Å; I401-L713 HydrophobicContact CG2-CD1 3.76Å; I401-L713 HydrophobicContact CG2-CD2 4.37Å; I401-L722 WeakPolarHBondContact O-CD2 3.39Å |
| 402 | G | 94 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.2 | 179.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V330 A331 L400 I425 | V330-G402 WeakPolarHBondContact CA-O 3.32Å; A331-G402 PolarHBondContact N-O 3.27Å; A331-G402 VanDerWaalsContact N-O 3.15Å; L400-G402 WeakPolarHBondContact CD1-O 3.46Å; G402-I425 CarbonylContact C-O 3.58Å; G402-I425 VanDerWaalsContact CA-O 3.25Å; G402-I425 WeakPolarHBondContact CA-O 3.4Å |
| 403 | S | 95.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.4 | -178.9 | -48.8 | 0 | 0 | 0 | 0 | 112 | A331 Y388 I425 I426 V427 | A331-S403 CarbonylContact O-C 3.4Å; A331-S403 WeakPolarHBondContact O-CA 3.26Å; Y388-S403 WeakPolarHBondContact CE2-OG 3.37Å; S403-I425 PolarHBondContact N-O 3.41Å; S403-I426 WeakPolarHBondContact O-CA 3.39Å; S403-V427 PolarHBondContact O-N 3.03Å |
| 404 | I | 94.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 120.7 | 167.6 | -64 | 175.9 | 0 | 0 | 0 | 107.4 | V330 A331 L333 V427 P429 A691 V692 L695 | V330-I404 HydrophobicContact CG1-CB 4.49Å; V330-I404 HydrophobicContact CG1-CD1 3.93Å; V330-I404 HydrophobicContact CG1-CG1 3.83Å; A331-I404 PolarHBondContact O-N 3.35Å; L333-I404 PolarHBondContact N-O 3.03Å; I404-V427 VanDerWaalsContact CA-O 3.29Å; I404-V427 WeakPolarHBondContact CA-O 3.33Å; I404-P429 HydrophobicContact CG2-CG 4.36Å; I404-A691 HydrophobicContact CD1-CB 4.03Å; I404-A691 HydrophobicContact CG1-CB 4.16Å; I404-A691 HydrophobicContact CG2-CB 4.24Å; I404-V692 HydrophobicContact CD1-CB 4.24Å; I404-V692 HydrophobicContact CD1-CG2 3.31Å; I404-L695 HydrophobicContact CD1-CD1 4.42Å; I404-L695 HydrophobicContact CG1-CD1 3.98Å |
| 405 | A | 92 | Very high | 86.2 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 90.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L407 I412 I426 V427 S428 P429 | A405-L407 HydrophobicContact CB-CD1 4.18Å; A405-I412 HydrophobicContact CB-CD1 3.74Å; A405-I412 HydrophobicContact CB-CG1 4.39Å; A405-I426 HydrophobicContact CB-CG2 3.64Å; A405-V427 PolarHBondContact N-O 3.36Å; A405-S428 WeakPolarHBondContact O-CB 3.39Å; A405-S428 PolarHBondContact O-OG 3.38Å; A405-P429 WeakPolarHBondContact O-CD 3.24Å |
| 406 | A | 88.9 | Confident | 86.2 | Confident | 3 Ų | 3 | 27.7 Ų | 27.7 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 80.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109 | L333 F334 S335 L345 P429 T430 | L333-A406 CarbonylContact O-C 3.38Å; L333-A406 PolarHBondContact O-N 2.91Å; F334-A406 WeakPolarHBondContact CA-O 3.4Å; F334-A406 HydrophobicContact CD1-CB 3.73Å; F334-A406 HydrophobicContact CE1-CB 4.12Å; S335-A406 PolarHBondContact N-O 3.08Å; S335-A406 PolarHBondContact OG-O 3.47Å; L345-A406 HydrophobicContact CD1-CB 3.84Å; A406-P429 HydrophobicContact CB-CG 3.78Å; A406-T430 HydrophobicContact CB-CG2 3.94Å |
| 407 | L | 83.7 | Confident | 86.3 | Confident | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | trans | -129.3 | 161.3 | -168.6 | -64.6 | 169.9 | 0 | 0 | 0 | 110.6 | L333 L377 V384 A405 I412 V415 T430 | L333-L407 HydrophobicContact CB-CD1 4.12Å; L333-L407 HydrophobicContact CB-CD2 4.21Å; L333-L407 HydrophobicContact CB-CG 4.27Å; L333-L407 HydrophobicContact CD1-CD1 4.36Å; L377-L407 HydrophobicContact CD1-CD2 4.11Å; V384-L407 HydrophobicContact CG1-CD1 3.69Å; V384-L407 HydrophobicContact CG1-CD2 4.11Å; V384-L407 HydrophobicContact CG2-CD2 4.18Å; A405-L407 HydrophobicContact CB-CD1 4.18Å; L407-I412 HydrophobicContact CB-CB 4.1Å; L407-I412 HydrophobicContact CD1-CB 4.4Å; L407-V415 HydrophobicContact CD1-CG2 4.25Å; L407-T430 PolarHBondContact N-OG1 3.15Å; L407-T430 PolarHBondContact O-OG1 3.19Å | ||
| 408 | C | 77.1 | Confident | 86.5 | Confident | 20 Ų | 20 | 21.6 Ų | 21.6 | 14% | 0.135 | 12% | 0.117 | C | C | . | . | trans | -60.6 | 152 | 167.3 | -76.9 | 0 | 0 | 0 | 0 | 111.9 | C379 D410 S411 I412 | C379-C408 HydrophobicContact CB-CB 3.59Å; C379-C408 WeakPolarHBondContact CB-SG 3.47Å; C379-C408 WeakPolarHBondContact SG-CB 3.3Å; C379-C408 CovalentContact SG-SG 2.04Å; C379-C408 PolarHBondContact SG-SG 3.21Å; C408-D410 VanDerWaalsContact C-N 3.34Å; C408-D410 PolarHBondContact O-N 2.88Å; C408-S411 PolarHBondContact O-N 2.81Å; C408-I412 WeakPolarHBondContact O-CG2 3.22Å; C408-I412 PolarHBondContact O-N 2.85Å | ||
| 409 | S | 71.5 | Confident | 86.7 | Confident | 41 Ų | 41 | 19.6 Ų | 19.6 | 29% | 0.287 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -42.7 | -53.2 | -178.6 | 44 | 0 | 0 | 0 | 0 | 114.1 | I412 | S409-I412 WeakPolarHBondContact O-CG2 3.4Å |
| 410 | D | 70 | Confident | 86.6 | Confident | 98 Ų | 98 | 18 Ų | 18 | 52% | 0.524 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -76.4 | -34.2 | -170.6 | -53.9 | 21.5 | 0 | 0 | 0 | 110.7 | P381 C408 | P381-D410 HydrophobicContact CG-CB 4.42Å; C408-D410 VanDerWaalsContact C-N 3.34Å; C408-D410 PolarHBondContact O-N 2.88Å |
| 411 | S | 80 | Confident | 86.4 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71.4 | -35.5 | 179.2 | -22.3 | 0 | 0 | 0 | 0 | 111.5 | C379 C408 V415 | C379-S411 PolarHBondContact O-OG 2.91Å; C408-S411 PolarHBondContact O-N 2.81Å; S411-V415 WeakPolarHBondContact O-CG2 3.3Å |
| 412 | I | 85.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -75 | -27.6 | -178.7 | -167.6 | 161 | 0 | 0 | 0 | 113.2 | A405 L407 C408 S409 A414 V415 V416 S428 F436 F445 | A405-I412 HydrophobicContact CB-CD1 3.74Å; A405-I412 HydrophobicContact CB-CG1 4.39Å; L407-I412 HydrophobicContact CB-CB 4.1Å; L407-I412 HydrophobicContact CD1-CB 4.4Å; C408-I412 WeakPolarHBondContact O-CG2 3.22Å; C408-I412 PolarHBondContact O-N 2.85Å; S409-I412 WeakPolarHBondContact O-CG2 3.4Å; I412-A414 PolarHBondContact O-N 2.94Å; I412-V415 PolarHBondContact O-N 3.09Å; I412-V416 HydrophobicContact CG1-CG2 3.82Å; I412-V416 WeakPolarHBondContact O-CB 3.4Å; I412-V416 WeakPolarHBondContact O-CG2 3.16Å; I412-V416 PolarHBondContact O-N 2.92Å; I412-S428 WeakPolarHBondContact CD1-OG 3.41Å; I412-F436 HydrophobicContact CG1-CE2 4.43Å; I412-F436 HydrophobicContact CG1-CZ 4.34Å; I412-F436 HydrophobicContact CG2-CE2 3.69Å; I412-F436 HydrophobicContact CG2-CZ 4.03Å; I412-F445 HydrophobicContact CD1-CE2 4.19Å |
| 413 | E | 82.4 | Confident | 86.1 | Confident | 30 Ų | 30 | 34 Ų | 34 | 14% | 0.14 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -53 | -54.2 | 178.1 | -72.9 | -168.5 | 173.2 | 0 | 0 | 112.4 | V415 V416 E417 S433 R435 F436 | E413-V415 PolarHBondContact O-N 3.15Å; E413-V416 PolarHBondContact O-N 2.96Å; E413-E417 PolarHBondContact O-N 3.39Å; E413-S433 WeakPolarHBondContact OE1-CB 3.15Å; E413-S433 PolarHBondContact OE1-OG 3.14Å; E413-R435 VanDerWaalsContact OE1-CB 3.24Å; E413-R435 WeakPolarHBondContact OE1-CB 3.37Å; E413-R435 WeakPolarHBondContact OE1-CD 3.46Å; E413-R435 WeakPolarHBondContact OE2-CD 3.38Å; E413-R435 IonicContact OE2-CZ 2.66Å; E413-R435 IonicContact OE2-NE 2.66Å; E413-R435 IonicContact OE2-NH1 3.59Å; E413-R435 PolarHBondContact OE2-NH1 3.07Å; E413-F436 HydrophobicContact CB-CZ 4.44Å; E413-F436 HydrophobicContact CG-CE1 4.38Å; E413-F436 HydrophobicContact CG-CZ 4.15Å |
| 414 | A | 82.5 | Confident | 85.9 | Confident | 29 Ų | 29 | 35 Ų | 35 | 24% | 0.24 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.6 | -30.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L385 I412 L418 | L385-A414 HydrophobicContact CD1-CB 3.78Å; L385-A414 HydrophobicContact CD2-CB 3.84Å; L385-A414 HydrophobicContact CG-CB 4.02Å; I412-A414 PolarHBondContact O-N 2.94Å; A414-L418 WeakPolarHBondContact O-CB 3.32Å; A414-L418 PolarHBondContact O-N 2.73Å |
| 415 | V | 89.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.9 | -42.2 | 173.4 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | L333 V384 Y388 L407 S411 I412 E413 A419 I426 | L333-V415 HydrophobicContact CD1-CG1 3.93Å; V384-V415 HydrophobicContact CG1-CG2 3.44Å; V384-V415 VanDerWaalsContact CG1-CG2 3.44Å; Y388-V415 HydrophobicContact CD1-CB 4.38Å; Y388-V415 HydrophobicContact CD1-CG1 3.66Å; Y388-V415 HydrophobicContact CE1-CG1 3.78Å; Y388-V415 HydrophobicContact CG-CG1 4.11Å; L407-V415 HydrophobicContact CD1-CG2 4.25Å; S411-V415 WeakPolarHBondContact O-CG2 3.3Å; I412-V415 PolarHBondContact O-N 3.09Å; E413-V415 PolarHBondContact O-N 3.15Å; V415-A419 VanDerWaalsContact O-CB 3.25Å; V415-A419 WeakPolarHBondContact O-CB 3.34Å; V415-A419 PolarHBondContact O-N 3.37Å; V415-I426 HydrophobicContact CG1-CD1 3.66Å |
| 416 | V | 89.7 | Confident | 86 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.3 | -41.9 | 177.7 | 168.7 | 0 | 0 | 0 | 0 | 112.1 | I412 E413 A419 N420 I426 F436 Y442 F445 | I412-V416 HydrophobicContact CG1-CG2 3.82Å; I412-V416 WeakPolarHBondContact O-CB 3.4Å; I412-V416 WeakPolarHBondContact O-CG2 3.16Å; I412-V416 PolarHBondContact O-N 2.92Å; E413-V416 PolarHBondContact O-N 2.96Å; V416-A419 PolarHBondContact O-N 3.15Å; V416-N420 VanDerWaalsContact O-CB 3.24Å; V416-N420 WeakPolarHBondContact O-CB 3.37Å; V416-N420 PolarHBondContact O-N 3.36Å; V416-I426 HydrophobicContact CG2-CD1 4.04Å; V416-I426 HydrophobicContact CG2-CG2 4.45Å; V416-F436 HydrophobicContact CB-CE1 3.75Å; V416-F436 HydrophobicContact CB-CZ 3.88Å; V416-F436 HydrophobicContact CG1-CD1 4.37Å; V416-F436 HydrophobicContact CG1-CE1 3.67Å; V416-F436 HydrophobicContact CG1-CZ 4.22Å; V416-F436 HydrophobicContact CG2-CE1 4.12Å; V416-F436 HydrophobicContact CG2-CZ 3.79Å; V416-Y442 HydrophobicContact CG1-CD1 3.63Å; V416-Y442 HydrophobicContact CG1-CE1 4.15Å; V416-Y442 HydrophobicContact CG1-CG 4.05Å; V416-F445 HydrophobicContact CB-CD2 4.43Å; V416-F445 HydrophobicContact CG1-CB 3.91Å; V416-F445 HydrophobicContact CG1-CD2 4.13Å; V416-F445 HydrophobicContact CG1-CG 4.05Å; V416-F445 HydrophobicContact CG2-CD2 3.39Å; V416-F445 HydrophobicContact CG2-CE2 3.67Å; V416-F445 HydrophobicContact CG2-CG 4.16Å |
| 417 | E | 85.8 | Confident | 86.2 | Confident | 76 Ų | 76 | 35 Ų | 35 | 36% | 0.355 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.4 | -49.4 | 172.8 | -78.9 | -179 | -178.2 | 0 | 0 | 111.4 | E413 N420 I421 R435 Y442 | E413-E417 PolarHBondContact O-N 3.39Å; E417-N420 PolarHBondContact O-N 2.91Å; E417-I421 WeakPolarHBondContact O-CG1 3.37Å; E417-I421 PolarHBondContact O-N 2.99Å; E417-R435 IonicContact OE1-NH2 3.23Å; E417-Y442 HydrophobicContact CG-CE1 3.76Å; E417-Y442 PolarHBondContact OE1-OH 2.67Å |
| 418 | L | 89.7 | Confident | 86.6 | Confident | 24 Ų | 24 | 34.8 Ų | 34.8 | 13% | 0.126 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.7 | -42.9 | 179 | 178.8 | 59.2 | 0 | 0 | 0 | 112.9 | L385 Y388 F389 L392 A414 I421 R422 | L385-L418 HydrophobicContact CD2-CD2 4.39Å; Y388-L418 HydrophobicContact CD1-CD2 4.01Å; Y388-L418 HydrophobicContact CE1-CD2 4.36Å; Y388-L418 HydrophobicContact CE1-CG 4.43Å; F389-L418 HydrophobicContact CD1-CD2 4Å; F389-L418 HydrophobicContact CD2-CD2 4.28Å; F389-L418 HydrophobicContact CE1-CD1 4Å; F389-L418 HydrophobicContact CE1-CD2 3.58Å; F389-L418 HydrophobicContact CE1-CG 4.46Å; F389-L418 HydrophobicContact CE2-CD2 3.89Å; F389-L418 HydrophobicContact CG-CD2 4.33Å; F389-L418 HydrophobicContact CZ-CD1 4.15Å; F389-L418 HydrophobicContact CZ-CD2 3.52Å; L392-L418 HydrophobicContact CD1-CD2 3.76Å; L392-L418 HydrophobicContact CD1-CG 3.92Å; A414-L418 WeakPolarHBondContact O-CB 3.32Å; A414-L418 PolarHBondContact O-N 2.73Å; L418-I421 PolarHBondContact O-N 3.47Å; L418-R422 HydrophobicContact CD1-CG 4.21Å; L418-R422 WeakPolarHBondContact O-CB 3.17Å; L418-R422 WeakPolarHBondContact O-CG 3.3Å; L418-R422 PolarHBondContact O-N 2.97Å |
| 419 | A | 90.7 | Very high | 87 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y388 V415 V416 I421 R422 K423 Q424 I426 | Y388-A419 HydrophobicContact CE1-CB 4.05Å; Y388-A419 VanDerWaalsContact OH-CB 3.24Å; Y388-A419 WeakPolarHBondContact OH-CB 3.45Å; V415-A419 VanDerWaalsContact O-CB 3.25Å; V415-A419 WeakPolarHBondContact O-CB 3.34Å; V415-A419 PolarHBondContact O-N 3.37Å; V416-A419 PolarHBondContact O-N 3.15Å; A419-I421 PolarHBondContact O-N 3.16Å; A419-R422 CarbonylContact O-C 3.59Å; A419-R422 PolarHBondContact O-N 2.97Å; A419-R422 VanDerWaalsContact O-N 3.12Å; A419-K423 PolarHBondContact O-N 3.02Å; A419-Q424 HydrophobicContact CB-CB 4.36Å; A419-Q424 PolarHBondContact O-N 3.2Å; A419-I426 HydrophobicContact CB-CD1 3.35Å; A419-I426 HydrophobicContact CB-CG1 3.83Å |
| 420 | N | 88.9 | Confident | 87.3 | Confident | 39 Ų | 39 | 32.3 Ų | 32.3 | 21% | 0.209 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.8 | -37.8 | 178.9 | -169.2 | 71 | 0 | 0 | 0 | 111.9 | V416 E417 K423 Q441 Y442 H443 Y444 | V416-N420 VanDerWaalsContact O-CB 3.24Å; V416-N420 WeakPolarHBondContact O-CB 3.37Å; V416-N420 PolarHBondContact O-N 3.36Å; E417-N420 PolarHBondContact O-N 2.91Å; N420-K423 PolarHBondContact O-N 2.99Å; N420-Q441 PolarHBondContact ND2-O 3.27Å; N420-Y442 VanDerWaalsContact OD1-C 3.29Å; N420-Y442 WeakPolarHBondContact OD1-CA 3.29Å; N420-H443 PolarHBondContact OD1-N 3.18Å; N420-Y444 PolarHBondContact OD1-N 2.95Å |
| 421 | I | 87.6 | Confident | 87.1 | Confident | 117 Ų | 117 | 30.4 Ų | 30.4 | 60% | 0.6 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -63.6 | -39.9 | 170.4 | -67 | 164.8 | 0 | 0 | 0 | 111.4 | E417 L418 A419 K423 | E417-I421 WeakPolarHBondContact O-CG1 3.37Å; E417-I421 PolarHBondContact O-N 2.99Å; L418-I421 PolarHBondContact O-N 3.47Å; A419-I421 PolarHBondContact O-N 3.16Å; I421-K423 VanDerWaalsContact C-N 3.32Å; I421-K423 PolarHBondContact O-N 2.87Å |
| 422 | R | 89.4 | Confident | 86.1 | Confident | 156 Ų | 156 | 31 Ų | 31 | 59% | 0.589 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 1.4 | -179.5 | -71.2 | -69.8 | -172.4 | 149.4 | 1.4 | 114.6 | L392 L418 A419 Q424 | L392-R422 HydrophobicContact CD1-CG 4.4Å; L418-R422 HydrophobicContact CD1-CG 4.21Å; L418-R422 WeakPolarHBondContact O-CB 3.17Å; L418-R422 WeakPolarHBondContact O-CG 3.3Å; L418-R422 PolarHBondContact O-N 2.97Å; A419-R422 CarbonylContact O-C 3.59Å; A419-R422 PolarHBondContact O-N 2.97Å; A419-R422 VanDerWaalsContact O-N 3.12Å; R422-Q424 VanDerWaalsContact C-N 3.26Å; R422-Q424 HydrophobicContact CB-CG 4.1Å; R422-Q424 PolarHBondContact O-N 2.59Å |
| 423 | K | 92.1 | Very high | 85 | Confident | 72 Ų | 72 | 32 Ų | 32 | 31% | 0.313 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 43.8 | -171.4 | -59.9 | -175 | 155.5 | -119.4 | 0 | 112.8 | A419 N420 I421 Y444 P716 S719 E720 | A419-K423 PolarHBondContact O-N 3.02Å; N420-K423 PolarHBondContact O-N 2.99Å; I421-K423 VanDerWaalsContact C-N 3.32Å; I421-K423 PolarHBondContact O-N 2.87Å; K423-Y444 HydrophobicContact CB-CD1 4.46Å; K423-Y444 HydrophobicContact CB-CE1 3.94Å; K423-Y444 HydrophobicContact CB-CE2 4.02Å; K423-Y444 WeakPolarHBondContact CE-OH 3.49Å; K423-Y444 HydrophobicContact CG-CE1 4.35Å; K423-Y444 HydrophobicContact CG-CE2 3.74Å; K423-Y444 PolarHBondContact NZ-OH 3.38Å; K423-P716 HydrophobicContact CD-CB 3.98Å; K423-S719 WeakPolarHBondContact O-CB 3.32Å; K423-S719 PolarHBondContact O-OG 3.32Å; K423-E720 IonicContact NZ-OE2 2.78Å |
| 424 | Q | 92.7 | Very high | 83.7 | Confident | 20 Ų | 20 | 32.7 Ų | 32.7 | 9% | 0.093 | 17% | 0.173 | C | C | . | . | trans | -107.1 | 132.2 | 177.1 | -71.7 | -62.9 | -46.9 | 0 | 0 | 110.1 | L392 A419 R422 Y444 | L392-Q424 HydrophobicContact CD2-CB 4.38Å; L392-Q424 HydrophobicContact CD2-CG 3.74Å; A419-Q424 HydrophobicContact CB-CB 4.36Å; A419-Q424 PolarHBondContact O-N 3.2Å; R422-Q424 VanDerWaalsContact C-N 3.26Å; R422-Q424 HydrophobicContact CB-CG 4.1Å; R422-Q424 PolarHBondContact O-N 2.59Å; Q424-Y444 WeakPolarHBondContact O-CB 3.41Å | ||
| 425 | I | 94.1 | Very high | 82.7 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | trans | -76.1 | 130.9 | -176.6 | -61.3 | 178 | 0 | 0 | 0 | 109.6 | G402 S403 V427 Y444 F446 L695 L722 R723 V726 | G402-I425 CarbonylContact C-O 3.58Å; G402-I425 VanDerWaalsContact CA-O 3.25Å; G402-I425 WeakPolarHBondContact CA-O 3.4Å; S403-I425 PolarHBondContact N-O 3.41Å; I425-V427 HydrophobicContact CG2-CG2 4.2Å; I425-Y444 WeakPolarHBondContact CA-O 3.41Å; I425-Y444 HydrophobicContact CG1-CD1 4.36Å; I425-F446 HydrophobicContact CG2-CD2 3.99Å; I425-F446 HydrophobicContact CG2-CE2 4.22Å; I425-L695 HydrophobicContact CG2-CD2 3.99Å; I425-L722 HydrophobicContact CD1-CB 3.98Å; I425-L722 HydrophobicContact CD1-CD2 3.83Å; I425-L722 HydrophobicContact CD1-CG 3.58Å; I425-R723 HydrophobicContact CD1-CB 4.4Å; I425-V726 HydrophobicContact CD1-CG2 4.07Å | ||
| 426 | I | 93.8 | Very high | 81.6 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132 | 167.2 | -70.1 | 179 | 0 | 0 | 0 | 109 | S403 A405 V415 V416 A419 Y444 F445 F446 | S403-I426 WeakPolarHBondContact O-CA 3.39Å; A405-I426 HydrophobicContact CB-CG2 3.64Å; V415-I426 HydrophobicContact CG1-CD1 3.66Å; V416-I426 HydrophobicContact CG2-CD1 4.04Å; V416-I426 HydrophobicContact CG2-CG2 4.45Å; A419-I426 HydrophobicContact CB-CD1 3.35Å; A419-I426 HydrophobicContact CB-CG1 3.83Å; I426-Y444 PolarHBondContact N-O 2.97Å; I426-F445 HydrophobicContact CB-CD2 4.15Å; I426-F445 HydrophobicContact CG2-CD2 3.75Å; I426-F445 HydrophobicContact CG2-CE2 4.04Å; I426-F445 CarbonylContact O-C 3.57Å; I426-F446 PolarHBondContact O-N 3.43Å |
| 427 | V | 93.7 | Very high | 80 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 114.6 | 166.9 | -169.7 | 0 | 0 | 0 | 0 | 108.3 | S403 I404 A405 I425 F446 T448 A691 L694 L695 | S403-V427 PolarHBondContact O-N 3.03Å; I404-V427 VanDerWaalsContact CA-O 3.29Å; I404-V427 WeakPolarHBondContact CA-O 3.33Å; A405-V427 PolarHBondContact N-O 3.36Å; I425-V427 HydrophobicContact CG2-CG2 4.2Å; V427-F446 CarbonylContact C-O 3.59Å; V427-F446 WeakPolarHBondContact CA-O 3.25Å; V427-F446 HydrophobicContact CG2-CB 4.43Å; V427-T448 HydrophobicContact CG1-CG2 3.64Å; V427-A691 HydrophobicContact CB-CB 4.08Å; V427-A691 HydrophobicContact CG1-CB 3.49Å; V427-A691 VanDerWaalsContact CG1-CB 3.49Å; V427-L694 HydrophobicContact CG1-CD2 3.82Å; V427-L694 HydrophobicContact CG2-CD2 4Å; V427-L695 HydrophobicContact CG2-CD1 4.15Å; V427-L695 HydrophobicContact CG2-CD2 3.88Å; V427-L695 HydrophobicContact CG2-CG 3.86Å |
| 428 | S | 91.5 | Very high | 78.7 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.1 | 178.9 | -174 | 0 | 0 | 0 | 0 | 111.7 | A405 I412 T430 F446 R447 T448 | A405-S428 WeakPolarHBondContact O-CB 3.39Å; A405-S428 PolarHBondContact O-OG 3.38Å; I412-S428 WeakPolarHBondContact CD1-OG 3.41Å; S428-T430 PolarHBondContact OG-N 2.81Å; S428-T430 PolarHBondContact OG-OG1 3.1Å; S428-F446 PolarHBondContact N-O 3.19Å; S428-R447 WeakPolarHBondContact O-CA 3.42Å; S428-R447 WeakPolarHBondContact O-CG 3.3Å; S428-T448 PolarHBondContact O-N 3.34Å; S428-T448 PolarHBondContact O-OG1 3.26Å |
| 429 | P | 86.8 | Confident | 77 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -86.4 | -10 | 170.8 | 36.2 | -35 | 0 | 0 | 0 | 113 | I404 A405 A406 T448 V449 Y684 Y687 T688 | I404-P429 HydrophobicContact CG2-CG 4.36Å; A405-P429 WeakPolarHBondContact O-CD 3.24Å; A406-P429 HydrophobicContact CB-CG 3.78Å; P429-T448 WeakPolarHBondContact CA-OG1 3.47Å; P429-V449 WeakPolarHBondContact O-CG1 3.33Å; P429-Y684 WeakPolarHBondContact O-CD1 3.37Å; P429-Y687 VanDerWaalsContact CB-C 3.42Å; P429-T688 WeakPolarHBondContact CB-OG1 3.29Å; P429-T688 WeakPolarHBondContact CG-OG1 3.32Å | ||
| 430 | T | 77.5 | Confident | 75.5 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -97.4 | 162.4 | -176.6 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | L342 A406 L407 S428 G432 V449 Y684 | L342-T430 HydrophobicContact CD1-CG2 3.51Å; A406-T430 HydrophobicContact CB-CG2 3.94Å; L407-T430 PolarHBondContact N-OG1 3.15Å; L407-T430 PolarHBondContact O-OG1 3.19Å; S428-T430 PolarHBondContact OG-N 2.81Å; S428-T430 PolarHBondContact OG-OG1 3.1Å; T430-G432 PolarHBondContact O-N 3.23Å; T430-V449 VanDerWaalsContact O-CG1 3.23Å; T430-V449 WeakPolarHBondContact O-CG1 3.4Å; T430-Y684 HydrophobicContact CG2-CD1 4.07Å; T430-Y684 HydrophobicContact CG2-CE1 4.33Å |
| 431 | V | 64.3 | Low | 74.6 | Confident | 58 Ų | 58 | 49.3 Ų | 49.3 | 35% | 0.352 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -67 | 123.8 | 177.8 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | Y684 | V431-Y684 HydrophobicContact CG2-CE1 4.35Š|
| 432 | G | 60.3 | Low | 74.3 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 13% | 0.134 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -85.9 | 154.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T430 | T430-G432 PolarHBondContact O-N 3.23Š|
| 433 | S | 61 | Low | 74.2 | Confident | 22 Ų | 22 | 42 Ų | 42 | 15% | 0.154 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -52.7 | 147.7 | 171.6 | 169.6 | 0 | 0 | 0 | 0 | 112.6 | E413 R435 F436 | E413-S433 WeakPolarHBondContact OE1-CB 3.15Å; E413-S433 PolarHBondContact OE1-OG 3.14Å; S433-R435 PolarHBondContact O-N 3.2Å; S433-R435 VanDerWaalsContact O-N 3.08Å; S433-R435 WeakPolarHBondContact OG-CB 3.34Å; S433-R435 PolarHBondContact OG-N 3.22Å; S433-R435 VanDerWaalsContact OG-N 3.07Å; S433-F436 WeakPolarHBondContact O-CB 3.37Å; S433-F436 PolarHBondContact O-N 3.22Å |
| 434 | A | 55.5 | Low | 74.2 | Confident | 44 Ų | 44 | 39.2 Ų | 39.2 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -58 | -17.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F436 L437 | A434-F436 PolarHBondContact O-N 3.05Å; A434-L437 HydrophobicContact CB-CD1 4.03Å; A434-L437 VanDerWaalsContact O-CB 3.29Å; A434-L437 WeakPolarHBondContact O-CB 3.46Å; A434-L437 VanDerWaalsContact O-CD1 3.3Å; A434-L437 WeakPolarHBondContact O-CD1 3.48Å; A434-L437 WeakPolarHBondContact O-CG 3.47Å; A434-L437 PolarHBondContact O-N 2.98Å; A434-L437 VanDerWaalsContact O-N 3.15Å |
| 435 | R | 62.9 | Low | 74.1 | Confident | 135 Ų | 135 | 38.5 Ų | 38.5 | 51% | 0.509 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -64 | -29.1 | 170.7 | -160.2 | 177.6 | -175.7 | 166.7 | -19.6 | 112.6 | E413 E417 S433 L437 | E413-R435 VanDerWaalsContact OE1-CB 3.24Å; E413-R435 WeakPolarHBondContact OE1-CB 3.37Å; E413-R435 WeakPolarHBondContact OE1-CD 3.46Å; E413-R435 WeakPolarHBondContact OE2-CD 3.38Å; E413-R435 IonicContact OE2-CZ 2.66Å; E413-R435 IonicContact OE2-NE 2.66Å; E413-R435 IonicContact OE2-NH1 3.59Å; E413-R435 PolarHBondContact OE2-NH1 3.07Å; E417-R435 IonicContact OE1-NH2 3.23Å; S433-R435 PolarHBondContact O-N 3.2Å; S433-R435 VanDerWaalsContact O-N 3.08Å; S433-R435 WeakPolarHBondContact OG-CB 3.34Å; S433-R435 PolarHBondContact OG-N 3.22Å; S433-R435 VanDerWaalsContact OG-N 3.07Å; R435-L437 PolarHBondContact O-N 3.23Å; R435-L437 VanDerWaalsContact O-N 3.09Å |
| 436 | F | 66.2 | Low | 74 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -79.6 | 35.2 | 169.1 | -51.3 | -48.8 | 0 | 0 | 0 | 113 | I412 E413 V416 S433 A434 Q439 Y442 F445 | I412-F436 HydrophobicContact CG1-CE2 4.43Å; I412-F436 HydrophobicContact CG1-CZ 4.34Å; I412-F436 HydrophobicContact CG2-CE2 3.69Å; I412-F436 HydrophobicContact CG2-CZ 4.03Å; E413-F436 HydrophobicContact CB-CZ 4.44Å; E413-F436 HydrophobicContact CG-CE1 4.38Å; E413-F436 HydrophobicContact CG-CZ 4.15Å; V416-F436 HydrophobicContact CB-CE1 3.75Å; V416-F436 HydrophobicContact CB-CZ 3.88Å; V416-F436 HydrophobicContact CG1-CD1 4.37Å; V416-F436 HydrophobicContact CG1-CE1 3.67Å; V416-F436 HydrophobicContact CG1-CZ 4.22Å; V416-F436 HydrophobicContact CG2-CE1 4.12Å; V416-F436 HydrophobicContact CG2-CZ 3.79Å; S433-F436 WeakPolarHBondContact O-CB 3.37Å; S433-F436 PolarHBondContact O-N 3.22Å; A434-F436 PolarHBondContact O-N 3.05Å; F436-Q439 VanDerWaalsContact O-CD 3.23Å; F436-Q439 WeakPolarHBondContact O-CG 3.19Å; F436-Y442 HydrophobicContact CD1-CD2 4.16Å; F436-Y442 AromaticContact CD1-CE2 3.98Å; F436-Y442 HydrophobicContact CD1-CE2 3.98Å; F436-F445 HydrophobicContact CD2-CE1 4.4Å; F436-F445 HydrophobicContact CD2-CZ 4.33Å; F436-F445 HydrophobicContact CE2-CZ 4.3Å; F436-F445 HydrophobicContact CG-CE1 4.5Å |
| 437 | L | 56.2 | Low | 73.5 | Confident | 65 Ų | 65 | 38.6 Ų | 38.6 | 34% | 0.34 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -101.1 | -21.6 | 164.5 | -62.2 | 169.9 | 0 | 0 | 0 | 111.3 | A434 R435 Q439 T453 | A434-L437 HydrophobicContact CB-CD1 4.03Å; A434-L437 VanDerWaalsContact O-CB 3.29Å; A434-L437 WeakPolarHBondContact O-CB 3.46Å; A434-L437 VanDerWaalsContact O-CD1 3.3Å; A434-L437 WeakPolarHBondContact O-CD1 3.48Å; A434-L437 WeakPolarHBondContact O-CG 3.47Å; A434-L437 PolarHBondContact O-N 2.98Å; A434-L437 VanDerWaalsContact O-N 3.15Å; R435-L437 PolarHBondContact O-N 3.23Å; R435-L437 VanDerWaalsContact O-N 3.09Å; L437-Q439 PolarHBondContact O-N 2.86Å; L437-T453 HydrophobicContact CD1-CG2 3.56Å; L437-T453 HydrophobicContact CD2-CG2 3.48Å; L437-T453 VanDerWaalsContact CD2-CG2 3.48Å; L437-T453 HydrophobicContact CG-CG2 4.15Å |
| 438 | E | 57.1 | Low | 73.2 | Confident | 68 Ų | 68 | 38.6 Ų | 38.6 | 32% | 0.318 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -80.9 | 43.6 | 171.3 | -47.1 | -146.8 | 160.9 | 0 | 0 | 111.8 | Q440 Q441 W851 K852 | E438-Q440 PolarHBondContact O-N 2.77Å; E438-Q441 PolarHBondContact O-N 2.58Å; E438-Q441 VanDerWaalsContact O-N 3.15Å; E438-Q441 PolarHBondContact OE2-NE2 3.47Å; E438-W851 HydrophobicContact CB-CZ2 4.4Å; E438-W851 HydrophobicContact CG-CH2 4.4Å; E438-W851 HydrophobicContact CG-CZ2 3.75Å; E438-W851 WeakPolarHBondContact OE1-CZ2 3.14Å; E438-K852 IonicContact OE1-NZ 3.68Å; E438-K852 PolarHBondContact OE1-NZ 2.98Å |
| 439 | Q | 55.5 | Low | 72.6 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -64.2 | -12.5 | -161.4 | -65.9 | -173.8 | -81.2 | 0 | 0 | 116.2 | F436 L437 Q441 Y442 H791 E793 | F436-Q439 VanDerWaalsContact O-CD 3.23Å; F436-Q439 WeakPolarHBondContact O-CG 3.19Å; L437-Q439 PolarHBondContact O-N 2.86Å; Q439-Q441 PolarHBondContact O-N 3.42Å; Q439-Y442 PolarHBondContact O-N 2.87Å; Q439-H791 HydrophobicContact CB-CB 3.91Å; Q439-H791 HydrophobicContact CG-CB 4.46Å; Q439-H791 PolarHBondContact NE2-O 3.42Å; Q439-H791 VanDerWaalsContact OE1-CB 3.3Å; Q439-E793 PolarHBondContact OE1-OE1 3.41Å |
| 440 | Q | 59.3 | Low | 72 | Confident | 126 Ų | 126 | 39.1 Ų | 39.1 | 59% | 0.589 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -60.2 | -6.1 | 169.9 | -63.9 | -172.2 | -5.2 | 0 | 0 | 113.5 | E438 H443 | E438-Q440 PolarHBondContact O-N 2.77Å; Q440-H443 PolarHBondContact O-NE2 3.39Å |
| 441 | Q | 69.1 | Low | 71.7 | Confident | 112 Ų | 112 | 39 Ų | 39 | 52% | 0.523 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -91.9 | -18.5 | 171.6 | -57.5 | -172.9 | 51.2 | 0 | 0 | 113.7 | N420 E438 Q439 | N420-Q441 PolarHBondContact ND2-O 3.27Å; E438-Q441 PolarHBondContact O-N 2.58Å; E438-Q441 VanDerWaalsContact O-N 3.15Å; E438-Q441 PolarHBondContact OE2-NE2 3.47Å; Q439-Q441 PolarHBondContact O-N 3.42Å |
| 442 | Y | 81.8 | Confident | 72.1 | Confident | 18 Ų | 18 | 36.7 Ų | 36.7 | 7% | 0.071 | 18% | 0.181 | C | C | . | . | trans | -120.3 | 52.5 | -162.9 | -59 | -65.6 | 0 | 0 | 0 | 114.2 | V416 E417 N420 F436 Q439 Y444 F445 | V416-Y442 HydrophobicContact CG1-CD1 3.63Å; V416-Y442 HydrophobicContact CG1-CE1 4.15Å; V416-Y442 HydrophobicContact CG1-CG 4.05Å; E417-Y442 HydrophobicContact CG-CE1 3.76Å; E417-Y442 PolarHBondContact OE1-OH 2.67Å; N420-Y442 VanDerWaalsContact OD1-C 3.29Å; N420-Y442 WeakPolarHBondContact OD1-CA 3.29Å; F436-Y442 HydrophobicContact CD1-CD2 4.16Å; F436-Y442 AromaticContact CD1-CE2 3.98Å; F436-Y442 HydrophobicContact CD1-CE2 3.98Å; Q439-Y442 PolarHBondContact O-N 2.87Å; Y442-Y444 PolarHBondContact O-N 3.34Å; Y442-F445 PolarHBondContact O-N 3.46Å | ||
| 443 | H | 87 | Confident | 72.4 | Confident | 100 Ų | 100 | 37 Ų | 37 | 46% | 0.463 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -27.6 | -172.3 | -68.1 | -174.5 | 0 | 0 | 0 | 116.4 | N420 Q440 R723 N792 | N420-H443 PolarHBondContact OD1-N 3.18Å; Q440-H443 PolarHBondContact O-NE2 3.39Å; H443-R723 VanDerWaalsContact O-CD 3.29Å; H443-R723 WeakPolarHBondContact O-CD 3.4Å; H443-N792 PolarHBondContact O-ND2 3.36Å |
| 444 | Y | 91.5 | Very high | 72.9 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 2.2 | -178.8 | -61.4 | -87.1 | 0 | 0 | 0 | 114.2 | N420 K423 Q424 I425 I426 Y442 S719 E720 R723 | N420-Y444 PolarHBondContact OD1-N 2.95Å; K423-Y444 HydrophobicContact CB-CD1 4.46Å; K423-Y444 HydrophobicContact CB-CE1 3.94Å; K423-Y444 HydrophobicContact CB-CE2 4.02Å; K423-Y444 WeakPolarHBondContact CE-OH 3.49Å; K423-Y444 HydrophobicContact CG-CE1 4.35Å; K423-Y444 HydrophobicContact CG-CE2 3.74Å; K423-Y444 PolarHBondContact NZ-OH 3.38Å; Q424-Y444 WeakPolarHBondContact O-CB 3.41Å; I425-Y444 WeakPolarHBondContact CA-O 3.41Å; I425-Y444 HydrophobicContact CG1-CD1 4.36Å; I426-Y444 PolarHBondContact N-O 2.97Å; Y442-Y444 PolarHBondContact O-N 3.34Å; Y444-S719 WeakPolarHBondContact CE1-OG 3.2Å; Y444-E720 PolarHBondContact OH-OE2 3.18Å; Y444-R723 HydrophobicContact CD1-CB 3.99Å; Y444-R723 HydrophobicContact CD1-CG 3.82Å; Y444-R723 HydrophobicContact CE1-CB 3.93Å; Y444-R723 HydrophobicContact CE1-CG 4.01Å |
| 445 | F | 91.3 | Very high | 74 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 134.3 | 174.9 | 176.7 | -107.1 | 0 | 0 | 0 | 111.2 | I412 V416 I426 F436 Y442 R447 N792 | I412-F445 HydrophobicContact CD1-CE2 4.19Å; V416-F445 HydrophobicContact CB-CD2 4.43Å; V416-F445 HydrophobicContact CG1-CB 3.91Å; V416-F445 HydrophobicContact CG1-CD2 4.13Å; V416-F445 HydrophobicContact CG1-CG 4.05Å; V416-F445 HydrophobicContact CG2-CD2 3.39Å; V416-F445 HydrophobicContact CG2-CE2 3.67Å; V416-F445 HydrophobicContact CG2-CG 4.16Å; I426-F445 HydrophobicContact CB-CD2 4.15Å; I426-F445 HydrophobicContact CG2-CD2 3.75Å; I426-F445 HydrophobicContact CG2-CE2 4.04Å; I426-F445 CarbonylContact O-C 3.57Å; F436-F445 HydrophobicContact CD2-CE1 4.4Å; F436-F445 HydrophobicContact CD2-CZ 4.33Å; F436-F445 HydrophobicContact CE2-CZ 4.3Å; F436-F445 HydrophobicContact CG-CE1 4.5Å; Y442-F445 PolarHBondContact O-N 3.46Å; F445-R447 HydrophobicContact CE1-CB 4.29Å; F445-R447 HydrophobicContact CZ-CB 4.45Å; F445-R447 HydrophobicContact CZ-CG 4.48Å; F445-N792 WeakPolarHBondContact O-CB 3.47Å; F445-N792 PolarHBondContact O-ND2 2.84Å |
| 446 | F | 91 | Very high | 74.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.5 | 175.1 | -65.1 | -94.1 | 0 | 0 | 0 | 110.2 | I425 I426 V427 S428 R723 V726 A727 F788 N792 | I425-F446 HydrophobicContact CG2-CD2 3.99Å; I425-F446 HydrophobicContact CG2-CE2 4.22Å; I426-F446 PolarHBondContact O-N 3.43Å; V427-F446 CarbonylContact C-O 3.59Å; V427-F446 WeakPolarHBondContact CA-O 3.25Å; V427-F446 HydrophobicContact CG2-CB 4.43Å; S428-F446 PolarHBondContact N-O 3.19Å; F446-R723 HydrophobicContact CE2-CG 4.13Å; F446-R723 HydrophobicContact CZ-CG 4.06Å; F446-V726 HydrophobicContact CD1-CG1 3.72Å; F446-V726 HydrophobicContact CD2-CG1 3.65Å; F446-V726 HydrophobicContact CE1-CB 4.42Å; F446-V726 HydrophobicContact CE1-CG1 3.75Å; F446-V726 HydrophobicContact CE2-CB 4.18Å; F446-V726 HydrophobicContact CE2-CG1 3.65Å; F446-V726 HydrophobicContact CG-CG1 3.68Å; F446-V726 HydrophobicContact CZ-CB 4.08Å; F446-V726 HydrophobicContact CZ-CG1 3.71Å; F446-A727 HydrophobicContact CE1-CB 3.77Å; F446-A727 HydrophobicContact CZ-CB 4.1Å; F446-F788 HydrophobicContact CB-CE1 4.31Å; F446-F788 HydrophobicContact CD1-CD1 4.2Å; F446-F788 HydrophobicContact CD1-CD2 4.48Å; F446-F788 HydrophobicContact CD1-CE1 4.34Å; F446-F788 HydrophobicContact CD1-CG 4.27Å; F446-N792 WeakPolarHBondContact CA-O 3.5Å; F446-N792 HydrophobicContact CD1-CB 3.5Å; F446-N792 VanDerWaalsContact CD1-CB 3.5Å; F446-N792 HydrophobicContact CE1-CB 3.74Å; F446-N792 VanDerWaalsContact CE1-OD1 3.27Å; F446-N792 WeakPolarHBondContact CE1-OD1 3.41Å; F446-N792 HydrophobicContact CG-CB 4.03Å; F446-N792 HydrophobicContact CZ-CB 4.49Å |
| 447 | R | 84.6 | Confident | 75.3 | Confident | 7 Ų | 7 | 33.6 Ų | 33.6 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 116.9 | 180 | -153.7 | -168.9 | -60.9 | 141.4 | 4.3 | 111.9 | S428 F445 V449 S451 N792 E793 R794 | S428-R447 WeakPolarHBondContact O-CA 3.42Å; S428-R447 WeakPolarHBondContact O-CG 3.3Å; F445-R447 HydrophobicContact CE1-CB 4.29Å; F445-R447 HydrophobicContact CZ-CB 4.45Å; F445-R447 HydrophobicContact CZ-CG 4.48Å; R447-V449 VanDerWaalsContact CD-O 3.3Å; R447-V449 WeakPolarHBondContact CD-O 3.02Å; R447-V449 HydrophobicContact CG-CG1 3.77Å; R447-V449 WeakPolarHBondContact CG-O 3.2Å; R447-S451 PolarHBondContact NH1-OG 2.73Å; R447-N792 PolarHBondContact N-O 2.79Å; R447-E793 IonicContact CZ-OE1 2.73Å; R447-E793 IonicContact NH1-OE1 2.66Å; R447-E793 PolarHBondContact NH1-OE1 2.78Å; R447-E793 IonicContact NH2-OE1 2.71Å; R447-E793 PolarHBondContact NH2-OE1 3.37Å; R447-R794 WeakPolarHBondContact O-CB 3.42Å; R447-R794 PolarHBondContact O-N 2.78Å |
| 448 | T | 86.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -82.8 | -18.3 | 179.4 | 46.4 | 0 | 0 | 0 | 0 | 113.5 | V427 S428 P429 Y687 D690 A691 L694 L786 R794 | V427-T448 HydrophobicContact CG1-CG2 3.64Å; S428-T448 PolarHBondContact O-N 3.34Å; S428-T448 PolarHBondContact O-OG1 3.26Å; P429-T448 WeakPolarHBondContact CA-OG1 3.47Å; T448-Y687 WeakPolarHBondContact O-CD1 3.34Å; T448-Y687 VanDerWaalsContact O-CE1 3.24Å; T448-Y687 WeakPolarHBondContact O-CE1 3.3Å; T448-Y687 PolarHBondContact OG1-O 2.9Å; T448-D690 HydrophobicContact CG2-CB 4.14Å; T448-A691 HydrophobicContact CG2-CB 4.17Å; T448-L694 HydrophobicContact CG2-CD2 4.32Å; T448-L786 HydrophobicContact CG2-CD1 4.28Å; T448-L786 HydrophobicContact CG2-CD2 4.18Å; T448-R794 WeakPolarHBondContact O-CD 3.47Å; T448-R794 PolarHBondContact O-NH1 2.75Å |
| 449 | V | 78.9 | Confident | 77.9 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.024 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -83.8 | 132.9 | 160.5 | 62.1 | 0 | 0 | 0 | 0 | 110 | P429 T430 R447 Y687 | P429-V449 WeakPolarHBondContact O-CG1 3.33Å; T430-V449 VanDerWaalsContact O-CG1 3.23Å; T430-V449 WeakPolarHBondContact O-CG1 3.4Å; R447-V449 VanDerWaalsContact CD-O 3.3Å; R447-V449 WeakPolarHBondContact CD-O 3.02Å; R447-V449 HydrophobicContact CG-CG1 3.77Å; R447-V449 WeakPolarHBondContact CG-O 3.2Å; V449-Y687 HydrophobicContact CB-CD1 4.32Å; V449-Y687 HydrophobicContact CB-CD2 3.65Å; V449-Y687 HydrophobicContact CB-CE1 4.39Å; V449-Y687 HydrophobicContact CB-CE2 3.75Å; V449-Y687 HydrophobicContact CB-CG 3.95Å; V449-Y687 HydrophobicContact CG2-CD2 3.91Å; V449-Y687 HydrophobicContact CG2-CE2 3.51Å |
| 450 | P | 74.3 | Confident | 79.4 | Confident | 7 Ų | 7 | 27 Ų | 27 | 5% | 0.045 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -62 | 157.2 | 175.4 | -22.1 | 33.1 | 0 | 0 | 0 | 113.4 | Y687 R794 A796 | P450-Y687 WeakPolarHBondContact CD-OH 3.18Å; P450-R794 WeakPolarHBondContact CA-O 3.38Å; P450-R794 WeakPolarHBondContact CB-O 3.46Å; P450-R794 HydrophobicContact CG-CB 4.34Å; P450-R794 HydrophobicContact CG-CG 4.22Å; P450-A796 HydrophobicContact CB-CB 3.96Å; P450-A796 HydrophobicContact CG-CB 3.82Å |
| 451 | S | 72.2 | Confident | 80.3 | Confident | 5 Ų | 5 | 22 Ų | 22 | 4% | 0.035 | 10% | 0.104 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 129.5 | 178.9 | -136.3 | 0 | 0 | 0 | 0 | 113 | R447 T453 E793 W799 | R447-S451 PolarHBondContact NH1-OG 2.73Å; S451-T453 PolarHBondContact O-N 3.23Å; S451-T453 PolarHBondContact OG-OG1 3.47Å; S451-E793 VanDerWaalsContact CB-CD 3.48Å; S451-E793 WeakPolarHBondContact CB-OE1 3.49Å; S451-E793 WeakPolarHBondContact CB-OE2 3.38Å; S451-E793 PolarHBondContact OG-OE1 2.87Å; S451-W799 WeakPolarHBondContact O-CH2 3.42Å |
| 452 | M | 72 | Confident | 81.1 | Confident | 10 Ų | 10 | 16.7 Ų | 16.7 | 5% | 0.049 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.3 | 175.2 | -84.7 | -55.3 | -50.6 | 0 | 0 | 113.5 | L454 A455 F480 P557 L594 W799 | M452-L454 PolarHBondContact O-N 3.47Å; M452-L454 VanDerWaalsContact O-N 3.16Å; M452-A455 HydrophobicContact CE-CB 3.78Å; M452-A455 WeakPolarHBondContact O-CB 3.46Å; M452-A455 PolarHBondContact O-N 3.17Å; M452-F480 HydrophobicContact CB-CD1 4.33Å; M452-F480 HydrophobicContact CB-CD2 4.23Å; M452-F480 HydrophobicContact CB-CG 4.1Å; M452-F480 HydrophobicContact CE-CE1 4.2Å; M452-F480 HydrophobicContact CE-CE2 3.92Å; M452-F480 HydrophobicContact CE-CZ 3.71Å; M452-P557 HydrophobicContact CE-CG 3.63Å; M452-P557 HydrophobicContact SD-CG 4.05Å; M452-L594 HydrophobicContact SD-CD1 3.75Å; M452-W799 HydrophobicContact CE-CZ3 4.46Å; M452-W799 HydrophobicContact SD-CH2 4.31Å; M452-W799 HydrophobicContact SD-CZ3 4.32Å |
| 453 | T | 67 | Low | 81.5 | Confident | 21 Ų | 21 | 15.9 Ų | 15.9 | 13% | 0.129 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -20 | 177.4 | 45.4 | 0 | 0 | 0 | 0 | 114.4 | L437 S451 A455 N456 | L437-T453 HydrophobicContact CD1-CG2 3.56Å; L437-T453 HydrophobicContact CD2-CG2 3.48Å; L437-T453 VanDerWaalsContact CD2-CG2 3.48Å; L437-T453 HydrophobicContact CG-CG2 4.15Å; S451-T453 PolarHBondContact O-N 3.23Å; S451-T453 PolarHBondContact OG-OG1 3.47Å; T453-A455 PolarHBondContact O-N 3.31Å; T453-N456 VanDerWaalsContact O-CB 3.29Å; T453-N456 WeakPolarHBondContact O-CB 3.36Å; T453-N456 PolarHBondContact O-N 3.1Å; T453-N456 PolarHBondContact O-ND2 2.87Å |
| 454 | L | 70.8 | Confident | 81.4 | Confident | 49 Ų | 49 | 13 Ų | 13 | 26% | 0.257 | 6% | 0.064 | S | C | . | . | H | α-helix | trans | -64.5 | -22.7 | 170.9 | -77.3 | 83.8 | 0 | 0 | 0 | 112.2 | M452 N456 F457 I458 W799 M814 | M452-L454 PolarHBondContact O-N 3.47Å; M452-L454 VanDerWaalsContact O-N 3.16Å; L454-N456 VanDerWaalsContact C-N 3.27Å; L454-N456 PolarHBondContact O-N 2.93Å; L454-F457 PolarHBondContact O-N 3.12Å; L454-I458 WeakPolarHBondContact O-CG1 3.29Å; L454-I458 PolarHBondContact O-N 3.02Å; L454-I458 VanDerWaalsContact O-N 3.09Å; L454-W799 HydrophobicContact CB-CH2 3.99Å; L454-W799 HydrophobicContact CB-CZ2 3.52Å; L454-W799 HydrophobicContact CD2-CZ2 4.43Å; L454-W799 HydrophobicContact CG-CZ2 4.45Å; L454-M814 HydrophobicContact CD2-CE 3.53Å; L454-M814 HydrophobicContact CD2-SD 3.97Å |
| 455 | A | 78.1 | Confident | 80.9 | Confident | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.008 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.1 | -30.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M452 T453 I458 L459 F480 V589 W799 | M452-A455 HydrophobicContact CE-CB 3.78Å; M452-A455 WeakPolarHBondContact O-CB 3.46Å; M452-A455 PolarHBondContact O-N 3.17Å; T453-A455 PolarHBondContact O-N 3.31Å; A455-I458 PolarHBondContact O-N 2.78Å; A455-L459 WeakPolarHBondContact O-CB 3.29Å; A455-L459 VanDerWaalsContact O-CG 3.28Å; A455-L459 WeakPolarHBondContact O-CG 3.19Å; A455-L459 PolarHBondContact O-N 2.78Å; A455-F480 HydrophobicContact CB-CE2 3.93Å; A455-V589 HydrophobicContact CB-CG1 3.98Å; A455-W799 HydrophobicContact CB-CZ3 4.09Å |
| 456 | N | 81.4 | Confident | 80.6 | Confident | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.011 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61 | -50.2 | 172.5 | -71.9 | -66.1 | 0 | 0 | 0 | 111.1 | T453 L454 I458 L459 L460 F480 F481 E482 L485 F486 | T453-N456 VanDerWaalsContact O-CB 3.29Å; T453-N456 WeakPolarHBondContact O-CB 3.36Å; T453-N456 PolarHBondContact O-N 3.1Å; T453-N456 PolarHBondContact O-ND2 2.87Å; L454-N456 VanDerWaalsContact C-N 3.27Å; L454-N456 PolarHBondContact O-N 2.93Å; N456-I458 VanDerWaalsContact C-N 3.27Å; N456-I458 PolarHBondContact O-N 3.47Å; N456-L459 PolarHBondContact O-N 2.84Å; N456-L460 WeakPolarHBondContact O-CB 3.33Å; N456-L460 PolarHBondContact O-N 3.25Å; N456-F480 PolarHBondContact ND2-O 3.11Å; N456-F481 WeakPolarHBondContact OD1-CA 3.35Å; N456-E482 PolarHBondContact OD1-N 3.26Å; N456-E482 VanDerWaalsContact OD1-N 3.12Å; N456-L485 HydrophobicContact CB-CD2 3.91Å; N456-F486 HydrophobicContact CB-CE2 4.21Å; N456-F486 WeakPolarHBondContact O-CZ 3.43Å |
| 457 | F | 76.8 | Confident | 80.3 | Confident | 76 Ų | 76 | 19.1 Ų | 19.1 | 33% | 0.333 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -64.1 | -33.6 | -179.8 | -65.5 | -83.5 | 0 | 0 | 0 | 112.2 | L454 R461 L485 F863 | L454-F457 PolarHBondContact O-N 3.12Å; F457-R461 WeakPolarHBondContact O-CB 3.35Å; F457-R461 PolarHBondContact O-N 3.45Å; F457-R461 VanDerWaalsContact O-N 3.1Å; F457-L485 HydrophobicContact CD1-CD2 4.08Å; F457-L485 HydrophobicContact CE1-CD1 4Å; F457-L485 HydrophobicContact CE1-CD2 3.86Å; F457-L485 HydrophobicContact CE2-CD2 4.35Å; F457-L485 HydrophobicContact CG-CD2 4.43Å; F457-L485 HydrophobicContact CZ-CD1 4.38Å; F457-L485 HydrophobicContact CZ-CD2 4Å; F457-F863 HydrophobicContact CB-CE1 4.21Å; F457-F863 HydrophobicContact CB-CZ 4.32Å |
| 458 | I | 80.2 | Confident | 80.6 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.2 | -52.8 | 173.7 | -67.2 | 165 | 0 | 0 | 0 | 111 | L454 A455 N456 L460 R461 L462 V589 W799 I812 | L454-I458 WeakPolarHBondContact O-CG1 3.29Å; L454-I458 PolarHBondContact O-N 3.02Å; L454-I458 VanDerWaalsContact O-N 3.09Å; A455-I458 PolarHBondContact O-N 2.78Å; N456-I458 VanDerWaalsContact C-N 3.27Å; N456-I458 PolarHBondContact O-N 3.47Å; I458-L460 VanDerWaalsContact C-N 3.32Å; I458-L460 PolarHBondContact O-N 2.84Å; I458-R461 PolarHBondContact O-N 2.71Å; I458-R461 VanDerWaalsContact O-N 3.09Å; I458-L462 HydrophobicContact CG2-CD1 3.95Å; I458-L462 HydrophobicContact CG2-CG 4.32Å; I458-L462 VanDerWaalsContact O-CG 3.32Å; I458-L462 WeakPolarHBondContact O-CG 3.46Å; I458-L462 PolarHBondContact O-N 3.43Å; I458-V589 HydrophobicContact CB-CG1 4.06Å; I458-V589 HydrophobicContact CD1-CG1 4.19Å; I458-V589 HydrophobicContact CG2-CG1 3.66Å; I458-V589 HydrophobicContact CG2-CG2 4.39Å; I458-W799 HydrophobicContact CD1-CB 3.65Å; I458-W799 HydrophobicContact CD1-CD2 3.48Å; I458-W799 VanDerWaalsContact CD1-CD2 3.48Å; I458-W799 HydrophobicContact CD1-CE3 3.65Å; I458-W799 HydrophobicContact CD1-CG 3.46Å; I458-W799 VanDerWaalsContact CD1-CG 3.46Å; I458-I812 HydrophobicContact CG2-CD1 3.53Å |
| 459 | L | 87.8 | Confident | 80.7 | Confident | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.4 | -43.7 | 178 | -74 | 170.2 | 0 | 0 | 0 | 111.5 | A455 N456 R461 L462 F463 F481 F486 F554 V589 | A455-L459 WeakPolarHBondContact O-CB 3.29Å; A455-L459 VanDerWaalsContact O-CG 3.28Å; A455-L459 WeakPolarHBondContact O-CG 3.19Å; A455-L459 PolarHBondContact O-N 2.78Å; N456-L459 PolarHBondContact O-N 2.84Å; L459-R461 VanDerWaalsContact C-N 3.33Å; L459-R461 PolarHBondContact O-N 3.3Å; L459-L462 PolarHBondContact O-N 3.39Å; L459-F463 HydrophobicContact CB-CE1 4.44Å; L459-F463 HydrophobicContact CB-CE2 4.47Å; L459-F463 HydrophobicContact CB-CZ 4.18Å; L459-F463 HydrophobicContact CD2-CE1 4.03Å; L459-F463 HydrophobicContact CD2-CZ 4.07Å; L459-F463 WeakPolarHBondContact O-CB 3.47Å; L459-F463 VanDerWaalsContact O-CD1 3.27Å; L459-F463 WeakPolarHBondContact O-CD1 3.37Å; L459-F463 WeakPolarHBondContact O-CG 3.48Å; L459-F463 PolarHBondContact O-N 3.33Å; L459-F481 HydrophobicContact CD1-CE2 4.35Å; L459-F486 HydrophobicContact CB-CE1 4.25Å; L459-F486 HydrophobicContact CB-CZ 3.94Å; L459-F554 HydrophobicContact CD2-CD1 3.57Å; L459-F554 HydrophobicContact CD2-CE1 3.99Å; L459-F554 HydrophobicContact CD2-CG 4.08Å; L459-V589 HydrophobicContact CD2-CB 4.5Å; L459-V589 HydrophobicContact CD2-CG2 3.8Å; L459-V589 HydrophobicContact CG-CG2 4.29Å |
| 460 | L | 86 | Confident | 81.2 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.7 | -45.4 | 173.2 | 176.7 | 62.4 | 0 | 0 | 0 | 112 | N456 I458 L464 L485 F486 K489 I491 Y860 | N456-L460 WeakPolarHBondContact O-CB 3.33Å; N456-L460 PolarHBondContact O-N 3.25Å; I458-L460 VanDerWaalsContact C-N 3.32Å; I458-L460 PolarHBondContact O-N 2.84Å; L460-L464 HydrophobicContact CD1-CD1 3.97Å; L460-L464 HydrophobicContact CD1-CG 4.48Å; L460-L464 HydrophobicContact CG-CD1 4.25Å; L460-L464 WeakPolarHBondContact O-CB 3.29Å; L460-L464 VanDerWaalsContact O-CG 3.29Å; L460-L464 WeakPolarHBondContact O-CG 3.38Å; L460-L464 PolarHBondContact O-N 3.44Å; L460-L485 HydrophobicContact CD2-CD2 4.17Å; L460-L485 HydrophobicContact CD2-CG 4Å; L460-F486 HydrophobicContact CB-CD1 4.33Å; L460-F486 HydrophobicContact CB-CE1 3.85Å; L460-F486 HydrophobicContact CB-CZ 4.01Å; L460-F486 HydrophobicContact CD1-CD1 3.91Å; L460-F486 HydrophobicContact CD1-CE1 4.28Å; L460-F486 HydrophobicContact CD1-CG 4.26Å; L460-K489 HydrophobicContact CD1-CB 4Å; L460-K489 HydrophobicContact CD1-CG 4.13Å; L460-K489 HydrophobicContact CD2-CG 4.18Å; L460-I491 HydrophobicContact CD1-CD1 3.88Å; L460-Y860 HydrophobicContact CD2-CD2 4.3Å; L460-Y860 HydrophobicContact CD2-CE2 3.79Å; L460-Y860 HydrophobicContact CG-CE2 4.3Å |
| 461 | R | 78.5 | Confident | 82.1 | Confident | 23 Ų | 23 | 24.6 Ų | 24.6 | 9% | 0.087 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.6 | -40.5 | 177.7 | -173.8 | 49.7 | 161 | 176.9 | -17.5 | 111.8 | F457 I458 L459 V465 F863 Q864 M867 | F457-R461 WeakPolarHBondContact O-CB 3.35Å; F457-R461 PolarHBondContact O-N 3.45Å; F457-R461 VanDerWaalsContact O-N 3.1Å; I458-R461 PolarHBondContact O-N 2.71Å; I458-R461 VanDerWaalsContact O-N 3.09Å; L459-R461 VanDerWaalsContact C-N 3.33Å; L459-R461 PolarHBondContact O-N 3.3Å; R461-V465 HydrophobicContact CG-CG2 4.5Å; R461-V465 WeakPolarHBondContact O-CB 3.03Å; R461-V465 VanDerWaalsContact O-CG2 3.22Å; R461-V465 WeakPolarHBondContact O-CG2 3.06Å; R461-V465 PolarHBondContact O-N 3.34Å; R461-F863 HydrophobicContact CB-CE1 4.21Å; R461-Q864 VanDerWaalsContact CZ-OE1 3.3Å; R461-Q864 VanDerWaalsContact NH2-CD 3.31Å; R461-Q864 PolarHBondContact NH2-O 2.93Å; R461-Q864 VanDerWaalsContact NH2-O 3.15Å; R461-M867 HydrophobicContact CB-CE 4.43Å; R461-M867 HydrophobicContact CG-CB 4.42Å; R461-M867 HydrophobicContact CG-CE 3.91Å |
| 462 | L | 85.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.8 | -49.5 | 176.2 | -70 | 173.1 | 0 | 0 | 0 | 111.6 | I458 L459 L464 V465 W466 V589 L801 L872 | I458-L462 HydrophobicContact CG2-CD1 3.95Å; I458-L462 HydrophobicContact CG2-CG 4.32Å; I458-L462 VanDerWaalsContact O-CG 3.32Å; I458-L462 WeakPolarHBondContact O-CG 3.46Å; I458-L462 PolarHBondContact O-N 3.43Å; L459-L462 PolarHBondContact O-N 3.39Å; L462-L464 PolarHBondContact O-N 3.01Å; L462-V465 PolarHBondContact O-N 3.07Å; L462-V465 VanDerWaalsContact O-N 3.16Å; L462-W466 HydrophobicContact CB-CE3 4Å; L462-W466 HydrophobicContact CB-CH2 3.93Å; L462-W466 HydrophobicContact CB-CZ2 4.47Å; L462-W466 HydrophobicContact CB-CZ3 3.65Å; L462-W466 HydrophobicContact CD1-CH2 4.09Å; L462-W466 HydrophobicContact CD1-CZ3 4.38Å; L462-W466 HydrophobicContact CD2-CH2 3.83Å; L462-W466 HydrophobicContact CD2-CZ2 3.85Å; L462-W466 HydrophobicContact CD2-CZ3 4.44Å; L462-W466 HydrophobicContact CG-CH2 4.16Å; L462-W466 HydrophobicContact CG-CZ3 4.37Å; L462-W466 PolarHBondContact O-N 3.37Å; L462-V589 HydrophobicContact CD1-CG2 4.16Å; L462-L801 HydrophobicContact CD1-CD1 4.27Å; L462-L801 HydrophobicContact CD1-CD2 4.26Å; L462-L801 HydrophobicContact CD2-CD2 4.41Å; L462-L872 HydrophobicContact CD2-CD1 3.77Å; L462-L872 HydrophobicContact CD2-CD2 3.56Å; L462-L872 HydrophobicContact CD2-CG 4.35Å |
| 463 | F | 89.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | -178.9 | -62.5 | -5 | 0 | 0 | 0 | 111.4 | L459 V465 W466 G467 W468 I471 F486 I491 I523 V525 F554 | L459-F463 HydrophobicContact CB-CE1 4.44Å; L459-F463 HydrophobicContact CB-CE2 4.47Å; L459-F463 HydrophobicContact CB-CZ 4.18Å; L459-F463 HydrophobicContact CD2-CE1 4.03Å; L459-F463 HydrophobicContact CD2-CZ 4.07Å; L459-F463 WeakPolarHBondContact O-CB 3.47Å; L459-F463 VanDerWaalsContact O-CD1 3.27Å; L459-F463 WeakPolarHBondContact O-CD1 3.37Å; L459-F463 WeakPolarHBondContact O-CG 3.48Å; L459-F463 PolarHBondContact O-N 3.33Å; F463-V465 VanDerWaalsContact C-N 3.35Å; F463-V465 PolarHBondContact O-N 3.49Å; F463-W466 CarbonylContact O-C 3.6Å; F463-W466 PolarHBondContact O-N 2.85Å; F463-G467 PolarHBondContact O-N 3.33Å; F463-W468 HydrophobicContact CB-CB 4.23Å; F463-W468 HydrophobicContact CB-CE3 4.44Å; F463-W468 AromaticContact CD1-CE3 3.56Å; F463-W468 HydrophobicContact CD1-CE3 3.56Å; F463-W468 AromaticContact CD1-CZ3 3.85Å; F463-W468 HydrophobicContact CD1-CZ3 3.85Å; F463-W468 HydrophobicContact CE1-CE3 4.11Å; F463-W468 HydrophobicContact CE1-CZ3 4.06Å; F463-W468 HydrophobicContact CG-CE3 4.13Å; F463-W468 PolarHBondContact O-N 3.29Å; F463-I471 HydrophobicContact CD2-CD1 4.21Å; F463-I471 HydrophobicContact CD2-CG2 3.94Å; F463-I471 HydrophobicContact CE2-CD1 3.83Å; F463-I471 HydrophobicContact CE2-CG2 4.03Å; F463-F486 AromaticContact CD2-CD1 3.96Å; F463-F486 HydrophobicContact CD2-CD1 3.96Å; F463-F486 AromaticContact CD2-CE1 3.61Å; F463-F486 HydrophobicContact CD2-CE1 3.61Å; F463-F486 HydrophobicContact CE2-CD1 4.23Å; F463-F486 AromaticContact CE2-CE1 3.66Å; F463-F486 HydrophobicContact CE2-CE1 3.66Å; F463-I491 HydrophobicContact CB-CD1 3.99Å; F463-I491 HydrophobicContact CD2-CD1 4.4Å; F463-I523 HydrophobicContact CE1-CG2 4.47Å; F463-I523 HydrophobicContact CZ-CG2 4.44Å; F463-V525 HydrophobicContact CE2-CG2 4.24Å; F463-V525 HydrophobicContact CZ-CG2 3.95Å; F463-F554 HydrophobicContact CE1-CD2 4.01Å; F463-F554 HydrophobicContact CE1-CE1 4.39Å; F463-F554 AromaticContact CE1-CE2 3.67Å; F463-F554 HydrophobicContact CE1-CE2 3.67Å; F463-F554 AromaticContact CE1-CZ 3.9Å; F463-F554 HydrophobicContact CE1-CZ 3.9Å; F463-F554 HydrophobicContact CZ-CD2 4.13Å; F463-F554 HydrophobicContact CZ-CE2 4.23Å |
| 464 | L | 84.6 | Confident | 85.3 | Confident | 41 Ų | 41 | 23 Ų | 23 | 22% | 0.215 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68.9 | -28.7 | 176.1 | -67.6 | 171.8 | 0 | 0 | 0 | 113.6 | L460 L462 K489 I491 Y860 | L460-L464 HydrophobicContact CD1-CD1 3.97Å; L460-L464 HydrophobicContact CD1-CG 4.48Å; L460-L464 HydrophobicContact CG-CD1 4.25Å; L460-L464 WeakPolarHBondContact O-CB 3.29Å; L460-L464 VanDerWaalsContact O-CG 3.29Å; L460-L464 WeakPolarHBondContact O-CG 3.38Å; L460-L464 PolarHBondContact O-N 3.44Å; L462-L464 PolarHBondContact O-N 3.01Å; L464-K489 HydrophobicContact CD1-CB 4.22Å; L464-I491 HydrophobicContact CD2-CD1 4.05Å; L464-I491 HydrophobicContact CD2-CG1 4.12Å; L464-I491 HydrophobicContact CG-CD1 4.12Å; L464-Y860 WeakPolarHBondContact CD1-OH 3.17Å |
| 465 | V | 81.9 | Confident | 86.1 | Confident | 75 Ų | 75 | 21.9 Ų | 21.9 | 46% | 0.455 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -74.8 | -32.3 | 173.8 | 165.1 | 0 | 0 | 0 | 0 | 111.7 | R461 L462 F463 | R461-V465 HydrophobicContact CG-CG2 4.5Å; R461-V465 WeakPolarHBondContact O-CB 3.03Å; R461-V465 VanDerWaalsContact O-CG2 3.22Å; R461-V465 WeakPolarHBondContact O-CG2 3.06Å; R461-V465 PolarHBondContact O-N 3.34Å; L462-V465 PolarHBondContact O-N 3.07Å; L462-V465 VanDerWaalsContact O-N 3.16Å; F463-V465 VanDerWaalsContact C-N 3.35Å; F463-V465 PolarHBondContact O-N 3.49Å |
| 466 | W | 86.1 | Confident | 86.2 | Confident | 32 Ų | 32 | 23.4 Ų | 23.4 | 12% | 0.121 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 1.8 | 175.9 | -60.4 | -35.1 | 0 | 0 | 0 | 114.3 | L462 F463 W468 F554 L801 V875 W877 P883 | L462-W466 HydrophobicContact CB-CE3 4Å; L462-W466 HydrophobicContact CB-CH2 3.93Å; L462-W466 HydrophobicContact CB-CZ2 4.47Å; L462-W466 HydrophobicContact CB-CZ3 3.65Å; L462-W466 HydrophobicContact CD1-CH2 4.09Å; L462-W466 HydrophobicContact CD1-CZ3 4.38Å; L462-W466 HydrophobicContact CD2-CH2 3.83Å; L462-W466 HydrophobicContact CD2-CZ2 3.85Å; L462-W466 HydrophobicContact CD2-CZ3 4.44Å; L462-W466 HydrophobicContact CG-CH2 4.16Å; L462-W466 HydrophobicContact CG-CZ3 4.37Å; L462-W466 PolarHBondContact O-N 3.37Å; F463-W466 CarbonylContact O-C 3.6Å; F463-W466 PolarHBondContact O-N 2.85Å; W466-W468 HydrophobicContact CB-CD2 4.05Å; W466-W468 HydrophobicContact CB-CG 4.34Å; W466-W468 HydrophobicContact CB-CZ2 4.19Å; W466-W468 HydrophobicContact CD2-CH2 4.18Å; W466-W468 HydrophobicContact CD2-CZ2 4.41Å; W466-W468 HydrophobicContact CD2-CZ3 4.4Å; W466-W468 HydrophobicContact CE3-CD2 4.4Å; W466-W468 AromaticContact CE3-CE3 3.84Å; W466-W468 HydrophobicContact CE3-CE3 3.84Å; W466-W468 AromaticContact CE3-CH2 3.39Å; W466-W468 HydrophobicContact CE3-CH2 3.39Å; W466-W468 HydrophobicContact CE3-CZ2 4Å; W466-W468 AromaticContact CE3-CZ3 3.31Å; W466-W468 HydrophobicContact CE3-CZ3 3.31Å; W466-W468 AromaticContact CZ3-CH2 3.81Å; W466-W468 HydrophobicContact CZ3-CH2 3.81Å; W466-W468 AromaticContact CZ3-CZ3 3.68Å; W466-W468 HydrophobicContact CZ3-CZ3 3.68Å; W466-F554 HydrophobicContact CZ3-CE1 4.4Å; W466-F554 AromaticContact CZ3-CZ 3.84Å; W466-F554 HydrophobicContact CZ3-CZ 3.84Å; W466-L801 HydrophobicContact CH2-CD2 4.02Å; W466-L801 HydrophobicContact CZ2-CD2 4.33Å; W466-V875 HydrophobicContact CZ2-CG2 4.23Å; W466-W877 HydrophobicContact CD2-CH2 4.29Å; W466-W877 HydrophobicContact CD2-CZ2 4.1Å; W466-W877 AromaticContact CE2-CZ2 3.73Å; W466-W877 HydrophobicContact CE3-CH2 4.41Å; W466-W877 HydrophobicContact CG-CZ2 4.48Å; W466-W877 HydrophobicContact CH2-CH2 4.42Å; W466-W877 HydrophobicContact CH2-CZ2 4.48Å; W466-W877 HydrophobicContact CZ2-CH2 4.33Å; W466-W877 AromaticContact CZ2-CZ2 3.95Å; W466-W877 HydrophobicContact CZ2-CZ2 3.95Å; W466-W877 HydrophobicContact CZ3-CH2 4.47Å; W466-W877 AromaticContact NE1-CZ2 3.94Å; W466-P883 HydrophobicContact CB-CB 3.92Å; W466-P883 HydrophobicContact CB-CG 4.14Å; W466-P883 HydrophobicContact CG-CB 4.09Å; W466-P883 HydrophobicContact CG-CG 4.34Å |
| 467 | G | 84.3 | Confident | 85.6 | Confident | 39 Ų | 39 | 27.1 Ų | 27.1 | 40% | 0.402 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 24.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F463 H469 | F463-G467 PolarHBondContact O-N 3.33Å; G467-H469 PolarHBondContact O-CD2 3.36Å |
| 468 | W | 89.6 | Confident | 84.9 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | trans | -90.6 | 113.8 | -180 | -60.1 | -17.1 | 0 | 0 | 0 | 111.2 | F463 W466 I523 V552 F554 W877 P883 P884 D886 | F463-W468 HydrophobicContact CB-CB 4.23Å; F463-W468 HydrophobicContact CB-CE3 4.44Å; F463-W468 AromaticContact CD1-CE3 3.56Å; F463-W468 HydrophobicContact CD1-CE3 3.56Å; F463-W468 AromaticContact CD1-CZ3 3.85Å; F463-W468 HydrophobicContact CD1-CZ3 3.85Å; F463-W468 HydrophobicContact CE1-CE3 4.11Å; F463-W468 HydrophobicContact CE1-CZ3 4.06Å; F463-W468 HydrophobicContact CG-CE3 4.13Å; F463-W468 PolarHBondContact O-N 3.29Å; W466-W468 HydrophobicContact CB-CD2 4.05Å; W466-W468 HydrophobicContact CB-CG 4.34Å; W466-W468 HydrophobicContact CB-CZ2 4.19Å; W466-W468 HydrophobicContact CD2-CH2 4.18Å; W466-W468 HydrophobicContact CD2-CZ2 4.41Å; W466-W468 HydrophobicContact CD2-CZ3 4.4Å; W466-W468 HydrophobicContact CE3-CD2 4.4Å; W466-W468 AromaticContact CE3-CE3 3.84Å; W466-W468 HydrophobicContact CE3-CE3 3.84Å; W466-W468 AromaticContact CE3-CH2 3.39Å; W466-W468 HydrophobicContact CE3-CH2 3.39Å; W466-W468 HydrophobicContact CE3-CZ2 4Å; W466-W468 AromaticContact CE3-CZ3 3.31Å; W466-W468 HydrophobicContact CE3-CZ3 3.31Å; W466-W468 AromaticContact CZ3-CH2 3.81Å; W466-W468 HydrophobicContact CZ3-CH2 3.81Å; W466-W468 AromaticContact CZ3-CZ3 3.68Å; W466-W468 HydrophobicContact CZ3-CZ3 3.68Å; W468-I523 HydrophobicContact CB-CG1 4.32Å; W468-I523 HydrophobicContact CD2-CD1 3.55Å; W468-I523 HydrophobicContact CD2-CG1 3.7Å; W468-I523 HydrophobicContact CD2-CG2 4.36Å; W468-I523 HydrophobicContact CE3-CB 4.38Å; W468-I523 HydrophobicContact CE3-CD1 3.77Å; W468-I523 HydrophobicContact CE3-CG1 3.85Å; W468-I523 HydrophobicContact CE3-CG2 3.62Å; W468-I523 HydrophobicContact CG-CD1 4.13Å; W468-I523 HydrophobicContact CG-CG1 3.92Å; W468-I523 HydrophobicContact CH2-CD1 3.97Å; W468-I523 HydrophobicContact CZ2-CD1 3.75Å; W468-I523 HydrophobicContact CZ3-CD1 3.96Å; W468-I523 HydrophobicContact CZ3-CG1 4.44Å; W468-I523 HydrophobicContact CZ3-CG2 3.87Å; W468-V552 HydrophobicContact CH2-CB 4.15Å; W468-V552 HydrophobicContact CH2-CG1 3.96Å; W468-V552 HydrophobicContact CH2-CG2 3.94Å; W468-V552 HydrophobicContact CZ2-CG2 4.1Å; W468-V552 HydrophobicContact CZ3-CG1 4.44Å; W468-F554 HydrophobicContact CH2-CE2 4.35Å; W468-F554 HydrophobicContact CH2-CZ 4.34Å; W468-F554 AromaticContact CZ3-CE2 3.73Å; W468-F554 HydrophobicContact CZ3-CE2 3.73Å; W468-F554 AromaticContact CZ3-CZ 3.88Å; W468-F554 HydrophobicContact CZ3-CZ 3.88Å; W468-W877 AromaticContact CH2-CH2 3.8Å; W468-W877 HydrophobicContact CH2-CH2 3.8Å; W468-W877 HydrophobicContact CH2-CZ3 4.24Å; W468-W877 AromaticContact CZ2-CH2 3.91Å; W468-W877 HydrophobicContact CZ2-CH2 3.91Å; W468-W877 HydrophobicContact CZ2-CZ3 4.2Å; W468-P883 HydrophobicContact CZ2-CB 3.95Å; W468-P884 HydrophobicContact CZ2-CG 4.4Å; W468-P884 PolarHBondContact NE1-O 3Å; W468-D886 HydrophobicContact CB-CB 4.12Å; W468-D886 HydrophobicContact CG-CB 4.23Å | ||
| 469 | H | 88.1 | Confident | 84.4 | Confident | 87 Ų | 87 | 28.1 Ų | 28.1 | 40% | 0.403 | 15% | 0.153 | S | C | . | . | trans | -110.7 | -1.9 | 179.3 | -67.3 | -78.8 | 0 | 0 | 0 | 112.9 | G467 G490 I491 E492 D886 | G467-H469 PolarHBondContact O-CD2 3.36Å; H469-G490 PolarHBondContact ND1-O 2.77Å; H469-I491 CarbonylContact O-C 3.59Å; H469-I491 WeakPolarHBondContact O-CA 3.46Å; H469-E492 WeakPolarHBondContact O-CB 3.44Å; H469-E492 PolarHBondContact O-N 2.59Å; H469-D886 WeakPolarHBondContact CA-OD2 3.44Å; H469-D886 PolarHBondContact N-OD2 3.12Å | ||
| 470 | R | 90.3 | Very high | 83.5 | Confident | 45 Ų | 45 | 29.3 Ų | 29.3 | 17% | 0.17 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 118.4 | -179.6 | -70.1 | 176.6 | 64 | 79 | 1 | 111.4 | E492 I494 D886 | R470-E492 WeakPolarHBondContact CA-O 3.29Å; R470-E492 HydrophobicContact CG-CB 4.33Å; R470-E492 IonicContact CZ-OE1 2.74Å; R470-E492 IonicContact CZ-OE2 2.95Å; R470-E492 IonicContact NH1-OE1 3.91Å; R470-E492 PolarHBondContact NH1-OE1 2.99Å; R470-E492 IonicContact NH1-OE2 3.8Å; R470-E492 PolarHBondContact NH1-OE2 3.45Å; R470-I494 HydrophobicContact CB-CD1 4.1Å; R470-I494 HydrophobicContact CB-CG1 4.41Å; R470-D886 HydrophobicContact CB-CB 4.23Å; R470-D886 PolarHBondContact N-OD2 3.49Å |
| 471 | I | 92.7 | Very high | 83.3 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 158.3 | 180 | 72.9 | 175.2 | 0 | 0 | 0 | 112.8 | F463 V473 F481 F486 I491 E492 I493 I494 I523 | F463-I471 HydrophobicContact CD2-CD1 4.21Å; F463-I471 HydrophobicContact CD2-CG2 3.94Å; F463-I471 HydrophobicContact CE2-CD1 3.83Å; F463-I471 HydrophobicContact CE2-CG2 4.03Å; I471-V473 HydrophobicContact CD1-CG2 4.31Å; I471-F481 HydrophobicContact CD1-CE1 4.38Å; I471-F481 HydrophobicContact CD1-CZ 3.91Å; I471-F486 HydrophobicContact CD1-CD1 4.05Å; I471-F486 HydrophobicContact CD1-CG 4.44Å; I471-I491 HydrophobicContact CD1-CG2 4.08Å; I471-I491 HydrophobicContact CG1-CG2 3.95Å; I471-I491 HydrophobicContact CG2-CG2 3.96Å; I471-E492 PolarHBondContact N-O 2.67Å; I471-I493 HydrophobicContact CD1-CD1 3.6Å; I471-I493 HydrophobicContact CG1-CD1 3.53Å; I471-I493 WeakPolarHBondContact O-CA 3.31Å; I471-I494 PolarHBondContact O-N 2.73Å; I471-I523 CarbonylContact C-O 3.55Å; I471-I523 WeakPolarHBondContact CA-O 3.13Å; I471-I523 HydrophobicContact CB-CB 4.45Å; I471-I523 HydrophobicContact CB-CG2 4.5Å; I471-I523 HydrophobicContact CG2-CB 3.98Å; I471-I523 HydrophobicContact CG2-CG2 3.87Å |
| 472 | V | 93.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.1 | 168.4 | 171.3 | 0 | 0 | 0 | 0 | 109.4 | F474 I494 A495 I497 L516 I523 F524 V525 | V472-F474 HydrophobicContact CG1-CD2 3.93Å; V472-F474 HydrophobicContact CG1-CE2 3.8Å; V472-I494 HydrophobicContact CG2-CB 4.06Å; V472-I494 HydrophobicContact CG2-CD1 4.49Å; V472-A495 HydrophobicContact CG1-CB 4.5Å; V472-I497 HydrophobicContact CG1-CD1 4.29Å; V472-L516 HydrophobicContact CG1-CD1 3.8Å; V472-L516 HydrophobicContact CG2-CD1 4.22Å; V472-L516 HydrophobicContact CG2-CD2 3.93Å; V472-I523 PolarHBondContact N-O 3.11Å; V472-F524 HydrophobicContact CB-CD1 3.7Å; V472-F524 HydrophobicContact CB-CE1 3.75Å; V472-F524 HydrophobicContact CB-CG 4.31Å; V472-F524 HydrophobicContact CB-CZ 4.38Å; V472-F524 HydrophobicContact CG1-CD1 3.72Å; V472-F524 HydrophobicContact CG1-CE1 3.76Å; V472-F524 HydrophobicContact CG2-CD1 4.4Å; V472-F524 HydrophobicContact CG2-CE1 3.97Å; V472-F524 HydrophobicContact CG2-CZ 4.23Å; V472-F524 WeakPolarHBondContact O-CA 3.47Å; V472-V525 PolarHBondContact O-N 2.87Å |
| 473 | V | 92.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.1 | 176.3 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | I471 R475 F481 I493 A495 I497 | I471-V473 HydrophobicContact CD1-CG2 4.31Å; V473-R475 HydrophobicContact CG1-CB 4.2Å; V473-R475 HydrophobicContact CG1-CG 4.1Å; V473-F481 HydrophobicContact CG1-CB 4.42Å; V473-F481 HydrophobicContact CG1-CD1 3.88Å; V473-F481 HydrophobicContact CG1-CE1 4.38Å; V473-F481 HydrophobicContact CG1-CG 4.12Å; V473-F481 HydrophobicContact CG2-CD1 3.84Å; V473-F481 HydrophobicContact CG2-CE1 3.49Å; V473-F481 VanDerWaalsContact CG2-CE1 3.49Å; V473-F481 HydrophobicContact CG2-CZ 4.01Å; V473-I493 HydrophobicContact CG2-CD1 4.49Å; V473-I493 HydrophobicContact CG2-CG2 4.33Å; V473-A495 PolarHBondContact N-O 3.45Å; V473-I497 PolarHBondContact O-N 3.26Å |
| 474 | F | 92.6 | Very high | 82.9 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117.3 | 164.8 | -78.7 | -95.6 | 0 | 0 | 0 | 107.6 | V472 I497 T512 L513 L516 F524 V525 V526 E527 Y528 I536 | V472-F474 HydrophobicContact CG1-CD2 3.93Å; V472-F474 HydrophobicContact CG1-CE2 3.8Å; F474-I497 HydrophobicContact CD1-CB 3.98Å; F474-I497 HydrophobicContact CD1-CD1 4.02Å; F474-I497 HydrophobicContact CD1-CG2 3.76Å; F474-I497 HydrophobicContact CD2-CD1 4.26Å; F474-I497 HydrophobicContact CE1-CB 4.29Å; F474-I497 HydrophobicContact CE1-CD1 3.59Å; F474-I497 HydrophobicContact CE1-CG2 3.94Å; F474-I497 HydrophobicContact CE2-CD1 3.84Å; F474-I497 HydrophobicContact CG-CB 4.35Å; F474-I497 HydrophobicContact CG-CD1 4.35Å; F474-I497 HydrophobicContact CZ-CD1 3.48Å; F474-I497 VanDerWaalsContact CZ-CD1 3.48Å; F474-T512 HydrophobicContact CZ-CG2 4.49Å; F474-L513 HydrophobicContact CE2-CD2 3.88Å; F474-L513 HydrophobicContact CZ-CD2 3.76Å; F474-L513 HydrophobicContact CZ-CG 4.09Å; F474-L516 HydrophobicContact CE2-CD1 4.18Å; F474-L516 HydrophobicContact CZ-CD1 4.19Å; F474-F524 HydrophobicContact CD2-CD1 4.36Å; F474-F524 AromaticContact CE2-CD1 3.99Å; F474-F524 HydrophobicContact CE2-CD1 3.99Å; F474-F524 HydrophobicContact CE2-CE1 4.19Å; F474-V525 PolarHBondContact N-O 3.39Å; F474-V526 HydrophobicContact CB-CG1 4.49Å; F474-V526 HydrophobicContact CB-CG2 4.41Å; F474-V526 CarbonylContact O-C 3.54Å; F474-V526 WeakPolarHBondContact O-CA 3.17Å; F474-E527 PolarHBondContact O-N 3Å; F474-Y528 HydrophobicContact CB-CD2 4.14Å; F474-Y528 HydrophobicContact CB-CE2 3.91Å; F474-I536 HydrophobicContact CB-CD1 3.83Å; F474-I536 HydrophobicContact CD1-CD1 3.6Å; F474-I536 HydrophobicContact CD1-CG1 3.97Å; F474-I536 HydrophobicContact CD1-CG2 4.42Å; F474-I536 HydrophobicContact CD2-CG2 4.33Å; F474-I536 HydrophobicContact CE1-CD1 4.36Å; F474-I536 HydrophobicContact CE1-CG1 4.23Å; F474-I536 HydrophobicContact CE1-CG2 4.47Å; F474-I536 HydrophobicContact CE2-CG2 4.4Å; F474-I536 HydrophobicContact CG-CD1 3.89Å; F474-I536 HydrophobicContact CG-CG1 4.49Å; F474-I536 HydrophobicContact CG-CG2 4.34Å; F474-I536 HydrophobicContact CZ-CG2 4.46Å |
| 475 | R | 88.8 | Confident | 82.7 | Confident | 25 Ų | 25 | 38.6 Ų | 38.6 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 159.1 | -180 | 64.7 | 175.6 | -177.5 | 81.3 | 0.9 | 113.5 | V473 N496 I497 E498 E527 Y528 | V473-R475 HydrophobicContact CG1-CB 4.2Å; V473-R475 HydrophobicContact CG1-CG 4.1Å; R475-N496 PolarHBondContact NE-OD1 3.1Å; R475-N496 PolarHBondContact NH2-ND2 2.56Å; R475-N496 VanDerWaalsContact NH2-ND2 3.17Å; R475-N496 PolarHBondContact NH2-OD1 3.03Å; R475-I497 PolarHBondContact N-O 2.98Å; R475-I497 VanDerWaalsContact O-O 3.05Å; R475-E498 VanDerWaalsContact CZ-CD 3.45Å; R475-E498 IonicContact CZ-OE1 2.65Å; R475-E498 IonicContact CZ-OE2 3.66Å; R475-E498 IonicContact NH1-OE1 2.82Å; R475-E498 PolarHBondContact NH1-OE1 2.94Å; R475-E498 IonicContact NH1-OE2 3.66Å; R475-E498 IonicContact NH2-OE1 2.73Å; R475-E498 PolarHBondContact NH2-OE1 3.04Å; R475-E498 IonicContact NH2-OE2 2.68Å; R475-E498 PolarHBondContact NH2-OE2 3Å; R475-E498 WeakPolarHBondContact O-CA 3.25Å; R475-E527 WeakPolarHBondContact CA-O 3.23Å; R475-E527 HydrophobicContact CB-CB 3.97Å; R475-Y528 VanDerWaalsContact C-CZ 3.46Å; R475-Y528 VanDerWaalsContact N-CE2 3.3Å; R475-Y528 PolarHBondContact O-OH 2.9Å |
| 476 | K | 79.6 | Confident | 83 | Confident | 33 Ų | 33 | 35 Ų | 35 | 14% | 0.143 | 19% | 0.185 | C | C | . | . | trans | -79.5 | 167.3 | 160.7 | -162.3 | 166.5 | 151.4 | -88.4 | 0 | 110.4 | D478 D500 E527 Y528 | K476-D478 VanDerWaalsContact CG-OD1 3.3Å; K476-D478 WeakPolarHBondContact CG-OD1 3.49Å; K476-D478 IonicContact NZ-OD1 2.8Å; K476-D478 PolarHBondContact NZ-OD1 2.78Å; K476-D478 IonicContact NZ-OD2 3.24Å; K476-D478 PolarHBondContact NZ-OD2 3.33Å; K476-D478 PolarHBondContact O-N 3Å; K476-D500 WeakPolarHBondContact CE-OD2 3.45Å; K476-E527 PolarHBondContact N-O 3.05Å; K476-Y528 HydrophobicContact CB-CE1 4.31Å | ||
| 477 | S | 69 | Low | 83 | Confident | 81 Ų | 81 | 38.2 Ų | 38.2 | 57% | 0.566 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -15.2 | -170.9 | 49.1 | 0 | 0 | 0 | 0 | 115.7 | E498 | S477-E498 VanDerWaalsContact CA-OE1 3.31Å; S477-E498 WeakPolarHBondContact CA-OE1 3.37Å; S477-E498 WeakPolarHBondContact CB-OE1 3.32Å |
| 478 | D | 62.3 | Low | 82.8 | Confident | 68 Ų | 68 | 40 Ų | 40 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 6.2 | -176.2 | 55.8 | -20.6 | 0 | 0 | 0 | 113.6 | K476 | K476-D478 VanDerWaalsContact CG-OD1 3.3Å; K476-D478 WeakPolarHBondContact CG-OD1 3.49Å; K476-D478 IonicContact NZ-OD1 2.8Å; K476-D478 PolarHBondContact NZ-OD1 2.78Å; K476-D478 IonicContact NZ-OD2 3.24Å; K476-D478 PolarHBondContact NZ-OD2 3.33Å; K476-D478 PolarHBondContact O-N 3Å |
| 479 | H | 68.3 | Low | 82.5 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 14% | 0.139 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -83.3 | 175.9 | 179.5 | -79.7 | -135.8 | 0 | 0 | 0 | 112.9 | E527 W558 | H479-E527 HydrophobicContact CB-CB 4.15Å; H479-E527 PolarHBondContact ND1-O 3.42Å; H479-W558 AromaticContact CE1-CZ2 3.97Å |
| 480 | F | 70.6 | Confident | 82.2 | Confident | 32 Ų | 32 | 41.4 Ų | 41.4 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -95.7 | -10.3 | -159.6 | 68.7 | -87.4 | 0 | 0 | 0 | 115.1 | M452 A455 N456 E482 E527 N556 W558 | M452-F480 HydrophobicContact CB-CD1 4.33Å; M452-F480 HydrophobicContact CB-CD2 4.23Å; M452-F480 HydrophobicContact CB-CG 4.1Å; M452-F480 HydrophobicContact CE-CE1 4.2Å; M452-F480 HydrophobicContact CE-CE2 3.92Å; M452-F480 HydrophobicContact CE-CZ 3.71Å; A455-F480 HydrophobicContact CB-CE2 3.93Å; N456-F480 PolarHBondContact ND2-O 3.11Å; F480-E482 PolarHBondContact O-N 3.11Å; F480-E527 WeakPolarHBondContact CD1-OE2 3.29Å; F480-E527 HydrophobicContact CE1-CG 4.26Å; F480-E527 WeakPolarHBondContact CE2-OE1 3.33Å; F480-E527 HydrophobicContact CZ-CG 4.37Å; F480-E527 WeakPolarHBondContact CZ-OE1 3.47Å; F480-E527 PolarHBondContact N-OE2 2.89Å; F480-N556 WeakPolarHBondContact CE1-OD1 3.41Å; F480-W558 AromaticContact CD1-CH2 3.95Å; F480-W558 HydrophobicContact CD1-CH2 3.95Å; F480-W558 HydrophobicContact CD1-CZ3 4.02Å; F480-W558 AromaticContact CE1-CH2 3.61Å; F480-W558 HydrophobicContact CE1-CH2 3.61Å; F480-W558 AromaticContact CE1-CZ3 3.51Å; F480-W558 HydrophobicContact CE1-CZ3 3.51Å; F480-W558 HydrophobicContact CZ-CZ3 4.49Å |
| 481 | F | 80.5 | Confident | 82.1 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | trans | -60.4 | 133.7 | 175.1 | -153.9 | -98.4 | 0 | 0 | 0 | 111.7 | N456 L459 I471 V473 P483 F486 V525 E527 | N456-F481 WeakPolarHBondContact OD1-CA 3.35Å; L459-F481 HydrophobicContact CD1-CE2 4.35Å; I471-F481 HydrophobicContact CD1-CE1 4.38Å; I471-F481 HydrophobicContact CD1-CZ 3.91Å; V473-F481 HydrophobicContact CG1-CB 4.42Å; V473-F481 HydrophobicContact CG1-CD1 3.88Å; V473-F481 HydrophobicContact CG1-CE1 4.38Å; V473-F481 HydrophobicContact CG1-CG 4.12Å; V473-F481 HydrophobicContact CG2-CD1 3.84Å; V473-F481 HydrophobicContact CG2-CE1 3.49Å; V473-F481 VanDerWaalsContact CG2-CE1 3.49Å; V473-F481 HydrophobicContact CG2-CZ 4.01Å; F481-P483 HydrophobicContact CD1-CG 3.99Å; F481-P483 WeakPolarHBondContact O-CD 3.4Å; F481-F486 HydrophobicContact CD2-CE2 4.38Å; F481-F486 AromaticContact CE1-CD2 3.71Å; F481-F486 HydrophobicContact CE1-CD2 3.71Å; F481-F486 AromaticContact CE1-CE2 3.8Å; F481-F486 HydrophobicContact CE1-CE2 3.8Å; F481-F486 HydrophobicContact CE1-CG 4.28Å; F481-F486 HydrophobicContact CE1-CZ 4.41Å; F481-F486 HydrophobicContact CE2-CD2 4.34Å; F481-F486 HydrophobicContact CE2-CE1 4.31Å; F481-F486 AromaticContact CE2-CE2 3.61Å; F481-F486 HydrophobicContact CE2-CE2 3.61Å; F481-F486 AromaticContact CE2-CZ 3.6Å; F481-F486 HydrophobicContact CE2-CZ 3.6Å; F481-F486 HydrophobicContact CZ-CD1 4.13Å; F481-F486 AromaticContact CZ-CD2 3.55Å; F481-F486 HydrophobicContact CZ-CD2 3.55Å; F481-F486 AromaticContact CZ-CE1 3.89Å; F481-F486 HydrophobicContact CZ-CE1 3.89Å; F481-F486 AromaticContact CZ-CE2 3.27Å; F481-F486 HydrophobicContact CZ-CE2 3.27Å; F481-F486 AromaticContact CZ-CG 3.99Å; F481-F486 HydrophobicContact CZ-CG 3.99Å; F481-F486 AromaticContact CZ-CZ 3.46Å; F481-F486 HydrophobicContact CZ-CZ 3.46Å; F481-F486 VanDerWaalsContact CZ-CZ 3.46Å; F481-V525 HydrophobicContact CD2-CG1 3.92Å; F481-V525 HydrophobicContact CE2-CB 4.36Å; F481-V525 HydrophobicContact CE2-CG1 3.96Å; F481-V525 HydrophobicContact CE2-CG2 4.05Å; F481-V525 HydrophobicContact CZ-CG2 4.38Å; F481-E527 WeakPolarHBondContact CB-OE1 3.35Å; F481-E527 PolarHBondContact N-OE1 3.21Å; F481-E527 PolarHBondContact N-OE2 2.04Å | ||
| 482 | E | 79.2 | Confident | 81.8 | Confident | 84 Ų | 84 | 44 Ų | 44 | 39% | 0.393 | 25% | 0.246 | S | C | . | . | trans | -114.4 | 88.5 | 176.2 | -170.9 | 171.7 | -153.1 | 0 | 0 | 111.3 | N456 F480 L484 L485 F486 | N456-E482 PolarHBondContact OD1-N 3.26Å; N456-E482 VanDerWaalsContact OD1-N 3.12Å; F480-E482 PolarHBondContact O-N 3.11Å; E482-L484 HydrophobicContact CG-CB 4.45Å; E482-L484 PolarHBondContact O-N 2.85Å; E482-L484 VanDerWaalsContact O-N 3.08Å; E482-L485 HydrophobicContact CB-CB 4.22Å; E482-L485 HydrophobicContact CG-CB 4.15Å; E482-L485 WeakPolarHBondContact O-CB 3.45Å; E482-L485 PolarHBondContact O-N 2.82Å; E482-F486 WeakPolarHBondContact O-CD2 3.25Å | ||
| 483 | P | 83.9 | Confident | 81.6 | Confident | 19 Ų | 19 | 45.1 Ų | 45.1 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.9 | -33.4 | -176.4 | -25.4 | 32.2 | 0 | 0 | 0 | 114.1 | F481 L485 F486 Q487 I493 N496 | F481-P483 HydrophobicContact CD1-CG 3.99Å; F481-P483 WeakPolarHBondContact O-CD 3.4Å; P483-L485 VanDerWaalsContact C-N 3.29Å; P483-L485 PolarHBondContact O-N 2.85Å; P483-F486 PolarHBondContact O-N 3.28Å; P483-Q487 WeakPolarHBondContact O-CG 3.12Å; P483-Q487 PolarHBondContact O-N 3.46Å; P483-I493 HydrophobicContact CB-CG1 4.24Å; P483-N496 WeakPolarHBondContact CG-OD1 3.24Å |
| 484 | L | 81.5 | Confident | 81.4 | Confident | 119 Ų | 119 | 46.6 Ų | 46.6 | 62% | 0.623 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.7 | -35 | 178.9 | -64.9 | 173.4 | 0 | 0 | 0 | 112.5 | E482 F486 Q487 A488 | E482-L484 HydrophobicContact CG-CB 4.45Å; E482-L484 PolarHBondContact O-N 2.85Å; E482-L484 VanDerWaalsContact O-N 3.08Å; L484-F486 VanDerWaalsContact C-N 3.35Å; L484-Q487 PolarHBondContact O-N 3.43Å; L484-A488 VanDerWaalsContact O-CB 3.27Å; L484-A488 WeakPolarHBondContact O-CB 3.44Å; L484-A488 PolarHBondContact O-N 3.05Å |
| 485 | L | 81.7 | Confident | 81.2 | Confident | 28 Ų | 28 | 47.7 Ų | 47.7 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 179.6 | -175.1 | 70.1 | 0 | 0 | 0 | 111.7 | N456 F457 L460 E482 P483 | N456-L485 HydrophobicContact CB-CD2 3.91Å; F457-L485 HydrophobicContact CD1-CD2 4.08Å; F457-L485 HydrophobicContact CE1-CD1 4Å; F457-L485 HydrophobicContact CE1-CD2 3.86Å; F457-L485 HydrophobicContact CE2-CD2 4.35Å; F457-L485 HydrophobicContact CG-CD2 4.43Å; F457-L485 HydrophobicContact CZ-CD1 4.38Å; F457-L485 HydrophobicContact CZ-CD2 4Å; L460-L485 HydrophobicContact CD2-CD2 4.17Å; L460-L485 HydrophobicContact CD2-CG 4Å; E482-L485 HydrophobicContact CB-CB 4.22Å; E482-L485 HydrophobicContact CG-CB 4.15Å; E482-L485 WeakPolarHBondContact O-CB 3.45Å; E482-L485 PolarHBondContact O-N 2.82Å; P483-L485 VanDerWaalsContact C-N 3.29Å; P483-L485 PolarHBondContact O-N 2.85Å |
| 486 | F | 88 | Confident | 81.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -73.6 | -43.9 | 176.7 | -70.1 | -103.3 | 0 | 0 | 0 | 111 | N456 L459 L460 F463 I471 F481 E482 P483 L484 A488 K489 G490 I491 I493 | N456-F486 HydrophobicContact CB-CE2 4.21Å; N456-F486 WeakPolarHBondContact O-CZ 3.43Å; L459-F486 HydrophobicContact CB-CE1 4.25Å; L459-F486 HydrophobicContact CB-CZ 3.94Å; L460-F486 HydrophobicContact CB-CD1 4.33Å; L460-F486 HydrophobicContact CB-CE1 3.85Å; L460-F486 HydrophobicContact CB-CZ 4.01Å; L460-F486 HydrophobicContact CD1-CD1 3.91Å; L460-F486 HydrophobicContact CD1-CE1 4.28Å; L460-F486 HydrophobicContact CD1-CG 4.26Å; F463-F486 AromaticContact CD2-CD1 3.96Å; F463-F486 HydrophobicContact CD2-CD1 3.96Å; F463-F486 AromaticContact CD2-CE1 3.61Å; F463-F486 HydrophobicContact CD2-CE1 3.61Å; F463-F486 HydrophobicContact CE2-CD1 4.23Å; F463-F486 AromaticContact CE2-CE1 3.66Å; F463-F486 HydrophobicContact CE2-CE1 3.66Å; I471-F486 HydrophobicContact CD1-CD1 4.05Å; I471-F486 HydrophobicContact CD1-CG 4.44Å; F481-F486 HydrophobicContact CD2-CE2 4.38Å; F481-F486 AromaticContact CE1-CD2 3.71Å; F481-F486 HydrophobicContact CE1-CD2 3.71Å; F481-F486 AromaticContact CE1-CE2 3.8Å; F481-F486 HydrophobicContact CE1-CE2 3.8Å; F481-F486 HydrophobicContact CE1-CG 4.28Å; F481-F486 HydrophobicContact CE1-CZ 4.41Å; F481-F486 HydrophobicContact CE2-CD2 4.34Å; F481-F486 HydrophobicContact CE2-CE1 4.31Å; F481-F486 AromaticContact CE2-CE2 3.61Å; F481-F486 HydrophobicContact CE2-CE2 3.61Å; F481-F486 AromaticContact CE2-CZ 3.6Å; F481-F486 HydrophobicContact CE2-CZ 3.6Å; F481-F486 HydrophobicContact CZ-CD1 4.13Å; F481-F486 AromaticContact CZ-CD2 3.55Å; F481-F486 HydrophobicContact CZ-CD2 3.55Å; F481-F486 AromaticContact CZ-CE1 3.89Å; F481-F486 HydrophobicContact CZ-CE1 3.89Å; F481-F486 AromaticContact CZ-CE2 3.27Å; F481-F486 HydrophobicContact CZ-CE2 3.27Å; F481-F486 AromaticContact CZ-CG 3.99Å; F481-F486 HydrophobicContact CZ-CG 3.99Å; F481-F486 AromaticContact CZ-CZ 3.46Å; F481-F486 HydrophobicContact CZ-CZ 3.46Å; F481-F486 VanDerWaalsContact CZ-CZ 3.46Å; E482-F486 WeakPolarHBondContact O-CD2 3.25Å; P483-F486 PolarHBondContact O-N 3.28Å; L484-F486 VanDerWaalsContact C-N 3.35Å; F486-A488 VanDerWaalsContact C-N 3.3Å; F486-A488 PolarHBondContact O-N 3.16Å; F486-K489 PolarHBondContact O-N 2.82Å; F486-G490 PolarHBondContact O-N 3.33Å; F486-I491 HydrophobicContact CB-CB 4.18Å; F486-I491 HydrophobicContact CB-CG2 4.46Å; F486-I491 HydrophobicContact CD1-CD1 3.92Å; F486-I491 PolarHBondContact O-N 3.06Å; F486-I491 VanDerWaalsContact O-N 3.11Å; F486-I493 HydrophobicContact CB-CD1 4.11Å |
| 487 | Q | 85.6 | Confident | 81.7 | Confident | 99 Ų | 99 | 48.7 Ų | 48.7 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 174.1 | -70.5 | 175.4 | -16.8 | 0 | 0 | 112.1 | P483 L484 K489 G490 I491 I493 | P483-Q487 WeakPolarHBondContact O-CG 3.12Å; P483-Q487 PolarHBondContact O-N 3.46Å; L484-Q487 PolarHBondContact O-N 3.43Å; Q487-K489 PolarHBondContact O-N 3.44Å; Q487-K489 VanDerWaalsContact O-N 3.1Å; Q487-G490 PolarHBondContact O-N 3.06Å; Q487-I491 WeakPolarHBondContact CA-O 3.37Å; Q487-I493 HydrophobicContact CG-CG1 3.68Å |
| 488 | A | 81.4 | Confident | 82.6 | Confident | 77 Ų | 77 | 49.1 Ų | 49.1 | 64% | 0.636 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -10.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | L484 F486 | L484-A488 VanDerWaalsContact O-CB 3.27Å; L484-A488 WeakPolarHBondContact O-CB 3.44Å; L484-A488 PolarHBondContact O-N 3.05Å; F486-A488 VanDerWaalsContact C-N 3.3Å; F486-A488 PolarHBondContact O-N 3.16Å |
| 489 | K | 83.1 | Confident | 83.6 | Confident | 69 Ų | 69 | 47.7 Ų | 47.7 | 30% | 0.3 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 15.2 | 172.8 | -63.8 | -62.4 | -178.6 | 176.7 | 0 | 113.5 | L460 L464 F486 Q487 Y860 | L460-K489 HydrophobicContact CD1-CB 4Å; L460-K489 HydrophobicContact CD1-CG 4.13Å; L460-K489 HydrophobicContact CD2-CG 4.18Å; L464-K489 HydrophobicContact CD1-CB 4.22Å; F486-K489 PolarHBondContact O-N 2.82Å; Q487-K489 PolarHBondContact O-N 3.44Å; Q487-K489 VanDerWaalsContact O-N 3.1Å; K489-Y860 HydrophobicContact CD-CE1 4Å; K489-Y860 HydrophobicContact CD-CE2 4.29Å; K489-Y860 VanDerWaalsContact CE-CE1 3.46Å; K489-Y860 HydrophobicContact CG-CE2 4.35Å |
| 490 | G | 81.8 | Confident | 84.2 | Confident | 49 Ų | 49 | 48.4 Ų | 48.4 | 51% | 0.505 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 32 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H469 F486 Q487 | H469-G490 PolarHBondContact ND1-O 2.77Å; F486-G490 PolarHBondContact O-N 3.33Å; Q487-G490 PolarHBondContact O-N 3.06Å |
| 491 | I | 87.4 | Confident | 84.7 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | trans | -101.4 | 116.3 | 165.8 | -59.5 | 177 | 0 | 0 | 0 | 108.1 | L460 F463 L464 H469 I471 F486 Q487 | L460-I491 HydrophobicContact CD1-CD1 3.88Å; F463-I491 HydrophobicContact CB-CD1 3.99Å; F463-I491 HydrophobicContact CD2-CD1 4.4Å; L464-I491 HydrophobicContact CD2-CD1 4.05Å; L464-I491 HydrophobicContact CD2-CG1 4.12Å; L464-I491 HydrophobicContact CG-CD1 4.12Å; H469-I491 CarbonylContact O-C 3.59Å; H469-I491 WeakPolarHBondContact O-CA 3.46Å; I471-I491 HydrophobicContact CD1-CG2 4.08Å; I471-I491 HydrophobicContact CG1-CG2 3.95Å; I471-I491 HydrophobicContact CG2-CG2 3.96Å; F486-I491 HydrophobicContact CB-CB 4.18Å; F486-I491 HydrophobicContact CB-CG2 4.46Å; F486-I491 HydrophobicContact CD1-CD1 3.92Å; F486-I491 PolarHBondContact O-N 3.06Å; F486-I491 VanDerWaalsContact O-N 3.11Å; Q487-I491 WeakPolarHBondContact CA-O 3.37Å | ||
| 492 | E | 87 | Confident | 84.8 | Confident | 99 Ų | 99 | 54.4 Ų | 54.4 | 46% | 0.463 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 121 | 175.1 | -171.5 | -172.1 | 155.8 | 0 | 0 | 110.2 | H469 R470 I471 I494 | H469-E492 WeakPolarHBondContact O-CB 3.44Å; H469-E492 PolarHBondContact O-N 2.59Å; R470-E492 WeakPolarHBondContact CA-O 3.29Å; R470-E492 HydrophobicContact CG-CB 4.33Å; R470-E492 IonicContact CZ-OE1 2.74Å; R470-E492 IonicContact CZ-OE2 2.95Å; R470-E492 IonicContact NH1-OE1 3.91Å; R470-E492 PolarHBondContact NH1-OE1 2.99Å; R470-E492 IonicContact NH1-OE2 3.8Å; R470-E492 PolarHBondContact NH1-OE2 3.45Å; I471-E492 PolarHBondContact N-O 2.67Å; E492-I494 PolarHBondContact O-N 2.74Å |
| 493 | I | 89 | Confident | 85 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 101.8 | 169.5 | -48.4 | -62.1 | 0 | 0 | 0 | 106.8 | I471 V473 P483 F486 Q487 A495 N496 | I471-I493 HydrophobicContact CD1-CD1 3.6Å; I471-I493 HydrophobicContact CG1-CD1 3.53Å; I471-I493 WeakPolarHBondContact O-CA 3.31Å; V473-I493 HydrophobicContact CG2-CD1 4.49Å; V473-I493 HydrophobicContact CG2-CG2 4.33Å; P483-I493 HydrophobicContact CB-CG1 4.24Å; F486-I493 HydrophobicContact CB-CD1 4.11Å; Q487-I493 HydrophobicContact CG-CG1 3.68Å; I493-A495 VanDerWaalsContact C-N 3.31Å; I493-A495 WeakPolarHBondContact CG2-O 3.4Å; I493-A495 PolarHBondContact O-N 2.79Å; I493-N496 HydrophobicContact CG2-CB 4.02Å |
| 494 | I | 87.6 | Confident | 85.2 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | -44.4 | -179.7 | -58.3 | 174.7 | 0 | 0 | 0 | 109.6 | R470 I471 V472 E492 L516 S521 | R470-I494 HydrophobicContact CB-CD1 4.1Å; R470-I494 HydrophobicContact CB-CG1 4.41Å; I471-I494 PolarHBondContact O-N 2.73Å; V472-I494 HydrophobicContact CG2-CB 4.06Å; V472-I494 HydrophobicContact CG2-CD1 4.49Å; E492-I494 PolarHBondContact O-N 2.74Å; I494-L516 HydrophobicContact CG2-CD2 4.17Å; I494-S521 WeakPolarHBondContact CD1-OG 3.45Å |
| 495 | A | 89.3 | Confident | 85.6 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 21% | 0.207 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 137.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V472 V473 I493 I497 L516 | V472-A495 HydrophobicContact CG1-CB 4.5Å; V473-A495 PolarHBondContact N-O 3.45Å; I493-A495 VanDerWaalsContact C-N 3.31Å; I493-A495 WeakPolarHBondContact CG2-O 3.4Å; I493-A495 PolarHBondContact O-N 2.79Å; A495-I497 HydrophobicContact CB-CD1 4.07Å; A495-I497 HydrophobicContact CB-CG1 3.97Å; A495-L516 HydrophobicContact CB-CD2 3.82Å |
| 496 | N | 88.9 | Confident | 86.1 | Confident | 60 Ų | 60 | 53 Ų | 53 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 93.5 | 169.1 | 172.4 | 71.5 | 0 | 0 | 0 | 107.3 | R475 P483 I493 E498 | R475-N496 PolarHBondContact NE-OD1 3.1Å; R475-N496 PolarHBondContact NH2-ND2 2.56Å; R475-N496 VanDerWaalsContact NH2-ND2 3.17Å; R475-N496 PolarHBondContact NH2-OD1 3.03Å; P483-N496 WeakPolarHBondContact CG-OD1 3.24Å; I493-N496 HydrophobicContact CG2-CB 4.02Å; N496-E498 PolarHBondContact ND2-OE2 2.78Å; N496-E498 PolarHBondContact O-N 2.85Å |
| 497 | I | 89.7 | Confident | 86.3 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 92.6 | -170.9 | -62.8 | 163.1 | 0 | 0 | 0 | 108.2 | V472 V473 F474 R475 A495 M499 T512 L516 | V472-I497 HydrophobicContact CG1-CD1 4.29Å; V473-I497 PolarHBondContact O-N 3.26Å; F474-I497 HydrophobicContact CD1-CB 3.98Å; F474-I497 HydrophobicContact CD1-CD1 4.02Å; F474-I497 HydrophobicContact CD1-CG2 3.76Å; F474-I497 HydrophobicContact CD2-CD1 4.26Å; F474-I497 HydrophobicContact CE1-CB 4.29Å; F474-I497 HydrophobicContact CE1-CD1 3.59Å; F474-I497 HydrophobicContact CE1-CG2 3.94Å; F474-I497 HydrophobicContact CE2-CD1 3.84Å; F474-I497 HydrophobicContact CG-CB 4.35Å; F474-I497 HydrophobicContact CG-CD1 4.35Å; F474-I497 HydrophobicContact CZ-CD1 3.48Å; F474-I497 VanDerWaalsContact CZ-CD1 3.48Å; R475-I497 PolarHBondContact N-O 2.98Å; R475-I497 VanDerWaalsContact O-O 3.05Å; A495-I497 HydrophobicContact CB-CD1 4.07Å; A495-I497 HydrophobicContact CB-CG1 3.97Å; I497-M499 HydrophobicContact CG2-CE 3.8Å; I497-T512 HydrophobicContact CD1-CG2 3.57Å; I497-T512 HydrophobicContact CG1-CG2 4.45Å; I497-L516 HydrophobicContact CD1-CD1 3.83Å |
| 498 | E | 87.2 | Confident | 86.6 | Confident | 90 Ų | 90 | 58 Ų | 58 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 110.2 | -175.3 | 179.2 | 166.8 | -151.3 | 0 | 0 | 110.3 | R475 S477 N496 | R475-E498 VanDerWaalsContact CZ-CD 3.45Å; R475-E498 IonicContact CZ-OE1 2.65Å; R475-E498 IonicContact CZ-OE2 3.66Å; R475-E498 IonicContact NH1-OE1 2.82Å; R475-E498 PolarHBondContact NH1-OE1 2.94Å; R475-E498 IonicContact NH1-OE2 3.66Å; R475-E498 IonicContact NH2-OE1 2.73Å; R475-E498 PolarHBondContact NH2-OE1 3.04Å; R475-E498 IonicContact NH2-OE2 2.68Å; R475-E498 PolarHBondContact NH2-OE2 3Å; R475-E498 WeakPolarHBondContact O-CA 3.25Å; S477-E498 VanDerWaalsContact CA-OE1 3.31Å; S477-E498 WeakPolarHBondContact CA-OE1 3.37Å; S477-E498 WeakPolarHBondContact CB-OE1 3.32Å; N496-E498 PolarHBondContact ND2-OE2 2.78Å; N496-E498 PolarHBondContact O-N 2.85Å |
| 499 | M | 84.6 | Confident | 87.1 | Confident | 37 Ų | 37 | 54.3 Ų | 54.3 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | trans | -152.6 | 165.3 | 176.6 | 59.5 | -179.8 | 67.4 | 0 | 0 | 110.5 | I497 L504 L508 Y528 | I497-M499 HydrophobicContact CG2-CE 3.8Å; M499-L504 HydrophobicContact SD-CB 4Å; M499-L504 HydrophobicContact SD-CD1 4.01Å; M499-L508 HydrophobicContact CE-CD2 3.79Å; M499-L508 HydrophobicContact CE-CG 4.37Å; M499-L508 HydrophobicContact SD-CD2 3.76Å; M499-Y528 WeakPolarHBondContact CG-OH 3.48Å; M499-Y528 PolarHBondContact N-OH 2.83Å; M499-Y528 PolarHBondContact O-OH 2.98Å; M499-Y528 VanDerWaalsContact O-OH 3.09Å | ||
| 500 | D | 81 | Confident | 87.6 | Confident | 46 Ų | 46 | 53.4 Ų | 53.4 | 25% | 0.246 | 28% | 0.275 | C | S | . | . | trans | -75.9 | 150 | 171.4 | -173.5 | -107.4 | 0 | 0 | 0 | 111.2 | K476 Q502 Q503 L504 | K476-D500 WeakPolarHBondContact CE-OD2 3.45Å; D500-Q502 PolarHBondContact O-N 2.96Å; D500-Q502 VanDerWaalsContact O-N 3.1Å; D500-Q502 VanDerWaalsContact OD1-CB 3.23Å; D500-Q502 WeakPolarHBondContact OD1-CB 3.44Å; D500-Q502 VanDerWaalsContact OD1-CG 3.29Å; D500-Q502 WeakPolarHBondContact OD1-CG 3.11Å; D500-Q502 PolarHBondContact OD1-N 3.05Å; D500-Q502 PolarHBondContact OD1-NE2 3.46Å; D500-Q503 PolarHBondContact O-N 2.94Å; D500-L504 PolarHBondContact O-N 2.92Å | ||
| 501 | E | 79.9 | Confident | 88.1 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 11% | 0.112 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27 | 178.8 | -154.8 | -148.7 | -133 | 0 | 0 | 112.1 | L504 Y528 R531 G532 | E501-L504 PolarHBondContact O-N 3.49Å; E501-Y528 HydrophobicContact CB-CD1 4.34Å; E501-Y528 HydrophobicContact CG-CD1 4.15Å; E501-R531 PolarHBondContact O-NH1 3.18Å; E501-R531 PolarHBondContact O-NH2 3.24Å; E501-R531 WeakPolarHBondContact OE1-CA 3.38Å; E501-R531 VanDerWaalsContact OE1-CB 3.3Å; E501-R531 WeakPolarHBondContact OE1-CB 3.49Å; E501-R531 PolarHBondContact OE1-N 2.91Å; E501-R531 IonicContact OE2-CZ 2.93Å; E501-R531 IonicContact OE2-NH1 3.85Å; E501-R531 PolarHBondContact OE2-NH1 3.38Å; E501-G532 PolarHBondContact OE1-N 3.48Å |
| 502 | Q | 82.5 | Confident | 88.4 | Confident | 143 Ų | 143 | 56 Ų | 56 | 67% | 0.668 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -30.9 | 176.4 | -66.3 | 167.1 | 97.7 | 0 | 0 | 113 | D500 | D500-Q502 PolarHBondContact O-N 2.96Å; D500-Q502 VanDerWaalsContact O-N 3.1Å; D500-Q502 VanDerWaalsContact OD1-CB 3.23Å; D500-Q502 WeakPolarHBondContact OD1-CB 3.44Å; D500-Q502 VanDerWaalsContact OD1-CG 3.29Å; D500-Q502 WeakPolarHBondContact OD1-CG 3.11Å; D500-Q502 PolarHBondContact OD1-N 3.05Å; D500-Q502 PolarHBondContact OD1-NE2 3.46Å |
| 503 | Q | 84.7 | Confident | 88.7 | Confident | 104 Ų | 104 | 51.2 Ų | 51.2 | 49% | 0.486 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -27.6 | 177.4 | -64.5 | 172.3 | -38 | 0 | 0 | 111.7 | D500 T505 | D500-Q503 PolarHBondContact O-N 2.94Å; Q503-T505 PolarHBondContact O-N 3.26Å |
| 504 | L | 86.5 | Confident | 88.8 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | trans | -67.9 | 116.8 | 176.8 | -177.4 | 57.3 | 0 | 0 | 0 | 111.5 | M499 D500 E501 A509 Y528 R531 L535 I536 | M499-L504 HydrophobicContact SD-CB 4Å; M499-L504 HydrophobicContact SD-CD1 4.01Å; D500-L504 PolarHBondContact O-N 2.92Å; E501-L504 PolarHBondContact O-N 3.49Å; L504-A509 HydrophobicContact CD1-CB 4.11Å; L504-Y528 HydrophobicContact CD2-CD1 4.06Å; L504-Y528 HydrophobicContact CD2-CD2 4.38Å; L504-Y528 HydrophobicContact CD2-CE1 3.96Å; L504-Y528 HydrophobicContact CD2-CE2 4.29Å; L504-Y528 HydrophobicContact CD2-CG 4.28Å; L504-R531 PolarHBondContact O-NH2 3.25Å; L504-L535 HydrophobicContact CG-CD1 4.38Å; L504-L535 WeakPolarHBondContact O-CD1 3.37Å; L504-I536 HydrophobicContact CD1-CG1 4.29Å; L504-I536 HydrophobicContact CD2-CD1 3.75Å; L504-I536 HydrophobicContact CD2-CG1 4.01Å | ||
| 505 | T | 90.8 | Very high | 88.9 | Confident | 69 Ų | 69 | 57.3 Ų | 57.3 | 42% | 0.423 | 28% | 0.283 | S | S | . | . | trans | -119.4 | 158.3 | 174.7 | 63.1 | 0 | 0 | 0 | 0 | 110.6 | Q503 K507 L508 A509 | Q503-T505 PolarHBondContact O-N 3.26Å; T505-K507 VanDerWaalsContact C-N 3.28Å; T505-K507 PolarHBondContact O-N 2.85Å; T505-L508 PolarHBondContact O-N 3.33Å; T505-L508 VanDerWaalsContact OG1-CB 3.3Å; T505-L508 WeakPolarHBondContact OG1-CB 3.41Å; T505-L508 PolarHBondContact OG1-N 3.04Å; T505-A509 PolarHBondContact O-N 3.22Å | ||
| 506 | Y | 92.3 | Very high | 89 | Confident | 44 Ų | 44 | 56.4 Ų | 56.4 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56 | -43.4 | 177.1 | 175.7 | -103.7 | 0 | 0 | 0 | 111.9 | A509 K510 C538 A539 H542 E573 | Y506-A509 PolarHBondContact O-N 3.16Å; Y506-K510 HydrophobicContact CE1-CD 4.44Å; Y506-K510 WeakPolarHBondContact O-CB 3.24Å; Y506-K510 PolarHBondContact O-N 3.28Å; Y506-C538 HydrophobicContact CE2-CB 4.25Å; Y506-A539 HydrophobicContact CD2-CB 4.13Å; Y506-A539 HydrophobicContact CE2-CB 3.82Å; Y506-H542 PolarHBondContact OH-ND1 2.99Å; Y506-E573 HydrophobicContact CD1-CG 4.49Å; Y506-E573 HydrophobicContact CD2-CB 3.88Å; Y506-E573 HydrophobicContact CD2-CG 4.16Å; Y506-E573 HydrophobicContact CE2-CB 4.1Å; Y506-E573 HydrophobicContact CG-CB 4.15Å; Y506-E573 HydrophobicContact CG-CG 3.99Å |
| 507 | K | 91.9 | Very high | 89 | Confident | 139 Ų | 139 | 57.3 Ų | 57.3 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.3 | -49.8 | 176.6 | -168.4 | -170.7 | 178 | -149 | 0 | 111.8 | T505 A509 K510 D511 | T505-K507 VanDerWaalsContact C-N 3.28Å; T505-K507 PolarHBondContact O-N 2.85Å; K507-A509 VanDerWaalsContact C-N 3.28Å; K507-A509 PolarHBondContact O-N 3.31Å; K507-K510 PolarHBondContact O-N 3.45Å; K507-K510 VanDerWaalsContact O-N 3.08Å; K507-D511 WeakPolarHBondContact CE-OD2 3.49Å; K507-D511 IonicContact NZ-OD2 3.16Å; K507-D511 WeakPolarHBondContact O-CB 3.34Å; K507-D511 VanDerWaalsContact O-CG 3.26Å; K507-D511 PolarHBondContact O-N 2.92Å |
| 508 | L | 91.8 | Very high | 88.8 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 34% | 0.34 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 179.6 | -179.2 | 59.6 | 0 | 0 | 0 | 111.8 | M499 T505 T512 | M499-L508 HydrophobicContact CE-CD2 3.79Å; M499-L508 HydrophobicContact CE-CG 4.37Å; M499-L508 HydrophobicContact SD-CD2 3.76Å; T505-L508 PolarHBondContact O-N 3.33Å; T505-L508 VanDerWaalsContact OG1-CB 3.3Å; T505-L508 WeakPolarHBondContact OG1-CB 3.41Å; T505-L508 PolarHBondContact OG1-N 3.04Å; L508-T512 WeakPolarHBondContact O-CB 3.34Å; L508-T512 PolarHBondContact O-N 3.31Å; L508-T512 VanDerWaalsContact O-N 3.12Å; L508-T512 PolarHBondContact O-OG1 3.25Å |
| 509 | A | 92.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L504 T505 Y506 K507 T512 L513 I536 A539 | L504-A509 HydrophobicContact CD1-CB 4.11Å; T505-A509 PolarHBondContact O-N 3.22Å; Y506-A509 PolarHBondContact O-N 3.16Å; K507-A509 VanDerWaalsContact C-N 3.28Å; K507-A509 PolarHBondContact O-N 3.31Å; A509-T512 PolarHBondContact O-N 3.15Å; A509-L513 WeakPolarHBondContact O-CB 3.28Å; A509-L513 WeakPolarHBondContact O-CD1 3.26Å; A509-L513 WeakPolarHBondContact O-CG 3.48Å; A509-L513 PolarHBondContact O-N 3.46Å; A509-I536 HydrophobicContact CB-CG1 4.41Å; A509-A539 HydrophobicContact CB-CB 3.95Å |
| 510 | K | 93.8 | Very high | 88.6 | Confident | 50 Ų | 50 | 64 Ų | 64 | 22% | 0.217 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.7 | -53.3 | 178.7 | -167.5 | -176 | -170.4 | -67.4 | 0 | 112.5 | Y506 K507 T512 L513 E514 A539 E543 | Y506-K510 HydrophobicContact CE1-CD 4.44Å; Y506-K510 WeakPolarHBondContact O-CB 3.24Å; Y506-K510 PolarHBondContact O-N 3.28Å; K507-K510 PolarHBondContact O-N 3.45Å; K507-K510 VanDerWaalsContact O-N 3.08Å; K510-T512 PolarHBondContact O-N 2.88Å; K510-L513 PolarHBondContact O-N 3.36Å; K510-E514 IonicContact NZ-OE1 2.97Å; K510-E514 PolarHBondContact NZ-OE1 2.71Å; K510-E514 PolarHBondContact O-N 3.27Å; K510-A539 HydrophobicContact CB-CB 4.07Å; K510-E543 VanDerWaalsContact CE-OE1 3.27Å; K510-E543 WeakPolarHBondContact CE-OE1 3.31Å; K510-E543 HydrophobicContact CG-CG 4.25Å; K510-E543 IonicContact NZ-OE1 3.76Å; K510-E543 PolarHBondContact NZ-OE1 2.89Å |
| 511 | D | 92.7 | Very high | 88.7 | Confident | 72 Ų | 72 | 61.8 Ų | 61.8 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.4 | -39.7 | -179.7 | -64.3 | 0.1 | 0 | 0 | 0 | 110.5 | K507 E515 | K507-D511 WeakPolarHBondContact CE-OD2 3.49Å; K507-D511 IonicContact NZ-OD2 3.16Å; K507-D511 WeakPolarHBondContact O-CB 3.34Å; K507-D511 VanDerWaalsContact O-CG 3.26Å; K507-D511 PolarHBondContact O-N 2.92Å; D511-E515 PolarHBondContact O-N 3.02Å |
| 512 | T | 92.4 | Very high | 89.2 | Confident | 32 Ų | 32 | 63.2 Ų | 63.2 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.2 | -38.7 | 176.9 | -52.3 | 0 | 0 | 0 | 0 | 112.7 | F474 I497 L508 A509 K510 E515 L516 | F474-T512 HydrophobicContact CZ-CG2 4.49Å; I497-T512 HydrophobicContact CD1-CG2 3.57Å; I497-T512 HydrophobicContact CG1-CG2 4.45Å; L508-T512 WeakPolarHBondContact O-CB 3.34Å; L508-T512 PolarHBondContact O-N 3.31Å; L508-T512 VanDerWaalsContact O-N 3.12Å; L508-T512 PolarHBondContact O-OG1 3.25Å; A509-T512 PolarHBondContact O-N 3.15Å; K510-T512 PolarHBondContact O-N 2.88Å; T512-E515 PolarHBondContact O-N 2.87Å; T512-L516 HydrophobicContact CG2-CD1 4.21Å; T512-L516 WeakPolarHBondContact O-CG 3.31Å; T512-L516 PolarHBondContact O-N 2.92Å; T512-L516 VanDerWaalsContact O-N 3.1Å |
| 513 | L | 93.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.2 | -33.1 | 178.6 | -73.5 | 167.7 | 0 | 0 | 0 | 112.3 | F474 A509 K510 E515 L516 K517 F524 A539 A540 M545 W553 | F474-L513 HydrophobicContact CE2-CD2 3.88Å; F474-L513 HydrophobicContact CZ-CD2 3.76Å; F474-L513 HydrophobicContact CZ-CG 4.09Å; A509-L513 WeakPolarHBondContact O-CB 3.28Å; A509-L513 WeakPolarHBondContact O-CD1 3.26Å; A509-L513 WeakPolarHBondContact O-CG 3.48Å; A509-L513 PolarHBondContact O-N 3.46Å; K510-L513 PolarHBondContact O-N 3.36Å; L513-E515 VanDerWaalsContact C-N 3.32Å; L513-E515 PolarHBondContact O-N 3.14Å; L513-L516 HydrophobicContact CD2-CD1 4.42Å; L513-L516 PolarHBondContact O-N 3.34Å; L513-K517 WeakPolarHBondContact O-CB 3.28Å; L513-K517 PolarHBondContact O-N 3.05Å; L513-F524 HydrophobicContact CD2-CE1 3.92Å; L513-A539 HydrophobicContact CD1-CB 3.83Å; L513-A540 HydrophobicContact CD1-CB 3.97Å; L513-M545 HydrophobicContact CB-SD 3.89Å; L513-M545 HydrophobicContact CD2-CE 3.88Å; L513-M545 HydrophobicContact CD2-SD 4.03Å; L513-M545 HydrophobicContact CG-SD 4.45Å; L513-W553 HydrophobicContact CD2-CH2 3.87Å |
| 514 | E | 92 | Very high | 90.2 | Very high | 71 Ų | 71 | 51.5 Ų | 51.5 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.9 | -40.1 | 170.2 | -77.6 | -177.4 | -135.6 | 0 | 0 | 112.4 | K510 Q518 E543 | K510-E514 IonicContact NZ-OE1 2.97Å; K510-E514 PolarHBondContact NZ-OE1 2.71Å; K510-E514 PolarHBondContact O-N 3.27Å; E514-Q518 WeakPolarHBondContact O-CG 3.4Å; E514-Q518 PolarHBondContact O-N 2.92Å; E514-Q518 PolarHBondContact O-NE2 2.97Å; E514-Q518 VanDerWaalsContact O-NE2 3.11Å; E514-E543 HydrophobicContact CG-CG 4.03Å |
| 515 | E | 89.7 | Confident | 90.5 | Very high | 110 Ų | 110 | 51.6 Ų | 51.6 | 51% | 0.514 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.8 | -48.7 | 174.8 | -175.9 | 173.2 | -174.1 | 0 | 0 | 111.6 | D511 T512 L513 K517 Q518 Q519 | D511-E515 PolarHBondContact O-N 3.02Å; T512-E515 PolarHBondContact O-N 2.87Å; L513-E515 VanDerWaalsContact C-N 3.32Å; L513-E515 PolarHBondContact O-N 3.14Å; E515-K517 VanDerWaalsContact C-N 3.27Å; E515-K517 PolarHBondContact O-N 2.98Å; E515-Q518 WeakPolarHBondContact O-CB 3.42Å; E515-Q518 PolarHBondContact O-N 2.98Å; E515-Q519 PolarHBondContact O-N 3.16Å; E515-Q519 VanDerWaalsContact O-N 3.11Å; E515-Q519 PolarHBondContact OE1-NE2 3.05Å |
| 516 | L | 91.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.9 | -31.1 | -178.4 | -69.9 | 171.8 | 0 | 0 | 0 | 113.8 | V472 F474 I494 A495 I497 T512 L513 Q519 N520 S521 F524 | V472-L516 HydrophobicContact CG1-CD1 3.8Å; V472-L516 HydrophobicContact CG2-CD1 4.22Å; V472-L516 HydrophobicContact CG2-CD2 3.93Å; F474-L516 HydrophobicContact CE2-CD1 4.18Å; F474-L516 HydrophobicContact CZ-CD1 4.19Å; I494-L516 HydrophobicContact CG2-CD2 4.17Å; A495-L516 HydrophobicContact CB-CD2 3.82Å; I497-L516 HydrophobicContact CD1-CD1 3.83Å; T512-L516 HydrophobicContact CG2-CD1 4.21Å; T512-L516 WeakPolarHBondContact O-CG 3.31Å; T512-L516 PolarHBondContact O-N 2.92Å; T512-L516 VanDerWaalsContact O-N 3.1Å; L513-L516 HydrophobicContact CD2-CD1 4.42Å; L513-L516 PolarHBondContact O-N 3.34Å; L516-Q519 CarbonylContact O-C 3.52Å; L516-Q519 PolarHBondContact O-N 3.4Å; L516-N520 PolarHBondContact O-N 3.41Å; L516-S521 WeakPolarHBondContact O-CB 3.5Å; L516-S521 PolarHBondContact O-N 3.16Å; L516-S521 VanDerWaalsContact O-N 3.14Å; L516-S521 PolarHBondContact O-OG 3.33Å; L516-F524 HydrophobicContact CD1-CE1 4.11Å |
| 517 | K | 89.1 | Confident | 90.3 | Very high | 78 Ų | 78 | 46.3 Ų | 46.3 | 34% | 0.339 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.2 | -37.9 | 172.4 | 174.7 | 174.7 | 161.8 | -176.1 | 0 | 111.8 | L513 E515 Q519 N520 E543 M545 | L513-K517 WeakPolarHBondContact O-CB 3.28Å; L513-K517 PolarHBondContact O-N 3.05Å; E515-K517 VanDerWaalsContact C-N 3.27Å; E515-K517 PolarHBondContact O-N 2.98Å; K517-Q519 VanDerWaalsContact C-N 3.3Å; K517-N520 PolarHBondContact O-N 3.09Å; K517-E543 HydrophobicContact CD-CB 4.28Å; K517-E543 WeakPolarHBondContact CE-O 3.46Å; K517-E543 PolarHBondContact NZ-O 2.9Å; K517-E543 IonicContact NZ-OE2 2.71Å; K517-E543 PolarHBondContact NZ-OE2 3.49Å; K517-M545 HydrophobicContact CB-CE 4.37Å; K517-M545 HydrophobicContact CB-SD 4.17Å; K517-M545 HydrophobicContact CD-CG 4.26Å; K517-M545 HydrophobicContact CD-SD 4.35Å |
| 518 | Q | 85.4 | Confident | 89.9 | Confident | 158 Ų | 158 | 39.7 Ų | 39.7 | 74% | 0.738 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -67.3 | -31.6 | 171.4 | -68 | 169 | 57 | 0 | 0 | 112.1 | E514 E515 N520 | E514-Q518 WeakPolarHBondContact O-CG 3.4Å; E514-Q518 PolarHBondContact O-N 2.92Å; E514-Q518 PolarHBondContact O-NE2 2.97Å; E514-Q518 VanDerWaalsContact O-NE2 3.11Å; E515-Q518 WeakPolarHBondContact O-CB 3.42Å; E515-Q518 PolarHBondContact O-N 2.98Å; Q518-N520 PolarHBondContact O-N 3.47Å |
| 519 | Q | 82.7 | Confident | 89.2 | Confident | 81 Ų | 81 | 37.8 Ų | 37.8 | 38% | 0.379 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 7.2 | 174.4 | -59.8 | -178.9 | 18.2 | 0 | 0 | 114.1 | E515 L516 K517 S521 | E515-Q519 PolarHBondContact O-N 3.16Å; E515-Q519 VanDerWaalsContact O-N 3.11Å; E515-Q519 PolarHBondContact OE1-NE2 3.05Å; L516-Q519 CarbonylContact O-C 3.52Å; L516-Q519 PolarHBondContact O-N 3.4Å; K517-Q519 VanDerWaalsContact C-N 3.3Å; Q519-S521 PolarHBondContact O-N 2.92Å |
| 520 | N | 84.3 | Confident | 88.8 | Confident | 48 Ų | 48 | 39.2 Ų | 39.2 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 29.3 | -178.8 | -164.9 | 39.2 | 0 | 0 | 0 | 114.6 | L516 K517 Q518 R522 G887 | L516-N520 PolarHBondContact O-N 3.41Å; K517-N520 PolarHBondContact O-N 3.09Å; Q518-N520 PolarHBondContact O-N 3.47Å; N520-R522 PolarHBondContact OD1-NE 3.37Å; N520-R522 PolarHBondContact OD1-NH2 3.32Å; N520-G887 VanDerWaalsContact ND2-CA 3.26Å; N520-G887 WeakPolarHBondContact ND2-CA 3.42Å; N520-G887 PolarHBondContact ND2-O 2.99Å; N520-G887 VanDerWaalsContact ND2-O 3.08Å; N520-G887 WeakPolarHBondContact O-CA 3.47Å |
| 521 | S | 83.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -67.3 | 130 | 178 | -45.9 | 0 | 0 | 0 | 0 | 110.9 | I494 L516 Q519 F524 Y551 | I494-S521 WeakPolarHBondContact CD1-OG 3.45Å; L516-S521 WeakPolarHBondContact O-CB 3.5Å; L516-S521 PolarHBondContact O-N 3.16Å; L516-S521 VanDerWaalsContact O-N 3.14Å; L516-S521 PolarHBondContact O-OG 3.33Å; Q519-S521 PolarHBondContact O-N 2.92Å; S521-F524 WeakPolarHBondContact O-CE2 3.37Å; S521-Y551 WeakPolarHBondContact O-CE1 3.24Å | ||
| 522 | R | 90.6 | Very high | 88.2 | Confident | 55 Ų | 55 | 37.2 Ų | 37.2 | 21% | 0.208 | 18% | 0.177 | C | C | . | . | trans | -118.5 | -27.5 | -176.7 | -60.3 | -60 | 174.2 | 149 | -2.4 | 116.4 | N520 A549 Y551 V552 N885 | N520-R522 PolarHBondContact OD1-NE 3.37Å; N520-R522 PolarHBondContact OD1-NH2 3.32Å; R522-A549 PolarHBondContact NH1-O 2.82Å; R522-Y551 VanDerWaalsContact NH1-CE2 3.3Å; R522-Y551 WeakPolarHBondContact O-CA 3.49Å; R522-V552 PolarHBondContact O-N 2.77Å; R522-N885 WeakPolarHBondContact CB-O 3.49Å; R522-N885 WeakPolarHBondContact CG-O 3.43Å | ||
| 523 | I | 92.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124.6 | -174.1 | -48.5 | -56 | 0 | 0 | 0 | 109.7 | F463 W468 I471 V472 V552 F554 D886 | F463-I523 HydrophobicContact CE1-CG2 4.47Å; F463-I523 HydrophobicContact CZ-CG2 4.44Å; W468-I523 HydrophobicContact CB-CG1 4.32Å; W468-I523 HydrophobicContact CD2-CD1 3.55Å; W468-I523 HydrophobicContact CD2-CG1 3.7Å; W468-I523 HydrophobicContact CD2-CG2 4.36Å; W468-I523 HydrophobicContact CE3-CB 4.38Å; W468-I523 HydrophobicContact CE3-CD1 3.77Å; W468-I523 HydrophobicContact CE3-CG1 3.85Å; W468-I523 HydrophobicContact CE3-CG2 3.62Å; W468-I523 HydrophobicContact CG-CD1 4.13Å; W468-I523 HydrophobicContact CG-CG1 3.92Å; W468-I523 HydrophobicContact CH2-CD1 3.97Å; W468-I523 HydrophobicContact CZ2-CD1 3.75Å; W468-I523 HydrophobicContact CZ3-CD1 3.96Å; W468-I523 HydrophobicContact CZ3-CG1 4.44Å; W468-I523 HydrophobicContact CZ3-CG2 3.87Å; I471-I523 CarbonylContact C-O 3.55Å; I471-I523 WeakPolarHBondContact CA-O 3.13Å; I471-I523 HydrophobicContact CB-CB 4.45Å; I471-I523 HydrophobicContact CB-CG2 4.5Å; I471-I523 HydrophobicContact CG2-CB 3.98Å; I471-I523 HydrophobicContact CG2-CG2 3.87Å; V472-I523 PolarHBondContact N-O 3.11Å; I523-V552 HydrophobicContact CD1-CB 3.97Å; I523-V552 HydrophobicContact CD1-CG2 3.89Å; I523-F554 HydrophobicContact CG2-CE2 4.33Å; I523-D886 HydrophobicContact CG1-CB 4.11Å |
| 524 | F | 94.6 | Very high | 88 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 133.9 | -170.9 | -69.8 | -102.2 | 0 | 0 | 0 | 111.6 | V472 F474 L513 L516 S521 M545 Y551 V552 W553 F554 | V472-F524 HydrophobicContact CB-CD1 3.7Å; V472-F524 HydrophobicContact CB-CE1 3.75Å; V472-F524 HydrophobicContact CB-CG 4.31Å; V472-F524 HydrophobicContact CB-CZ 4.38Å; V472-F524 HydrophobicContact CG1-CD1 3.72Å; V472-F524 HydrophobicContact CG1-CE1 3.76Å; V472-F524 HydrophobicContact CG2-CD1 4.4Å; V472-F524 HydrophobicContact CG2-CE1 3.97Å; V472-F524 HydrophobicContact CG2-CZ 4.23Å; V472-F524 WeakPolarHBondContact O-CA 3.47Å; F474-F524 HydrophobicContact CD2-CD1 4.36Å; F474-F524 AromaticContact CE2-CD1 3.99Å; F474-F524 HydrophobicContact CE2-CD1 3.99Å; F474-F524 HydrophobicContact CE2-CE1 4.19Å; L513-F524 HydrophobicContact CD2-CE1 3.92Å; L516-F524 HydrophobicContact CD1-CE1 4.11Å; S521-F524 WeakPolarHBondContact O-CE2 3.37Å; F524-M545 HydrophobicContact CE1-CE 3.96Å; F524-M545 HydrophobicContact CE2-CE 3.87Å; F524-M545 HydrophobicContact CZ-CE 3.32Å; F524-Y551 AromaticContact CE2-CD1 3.86Å; F524-Y551 HydrophobicContact CE2-CD1 3.86Å; F524-Y551 HydrophobicContact CE2-CE1 4.36Å; F524-V552 PolarHBondContact N-O 2.82Å; F524-W553 HydrophobicContact CB-CD2 3.79Å; F524-W553 HydrophobicContact CB-CE3 3.4Å; F524-W553 VanDerWaalsContact CB-CE3 3.4Å; F524-W553 HydrophobicContact CB-CH2 4Å; F524-W553 HydrophobicContact CB-CZ2 4.33Å; F524-W553 HydrophobicContact CB-CZ3 3.53Å; F524-W553 HydrophobicContact CD1-CE3 4.4Å; F524-W553 AromaticContact CD1-CH2 3.46Å; F524-W553 HydrophobicContact CD1-CH2 3.46Å; F524-W553 VanDerWaalsContact CD1-CH2 3.46Å; F524-W553 HydrophobicContact CD1-CZ2 4.09Å; F524-W553 AromaticContact CD1-CZ3 3.65Å; F524-W553 HydrophobicContact CD1-CZ3 3.65Å; F524-W553 HydrophobicContact CD2-CH2 4.25Å; F524-W553 HydrophobicContact CD2-CZ2 4.07Å; F524-W553 AromaticContact CE1-CH2 3.97Å; F524-W553 HydrophobicContact CE1-CH2 3.97Å; F524-W553 HydrophobicContact CE1-CZ2 4.45Å; F524-W553 HydrophobicContact CE2-CZ2 4.47Å; F524-W553 HydrophobicContact CG-CD2 4.26Å; F524-W553 HydrophobicContact CG-CE3 4Å; F524-W553 AromaticContact CG-CH2 3.63Å; F524-W553 HydrophobicContact CG-CH2 3.63Å; F524-W553 AromaticContact CG-CZ2 3.9Å; F524-W553 HydrophobicContact CG-CZ2 3.9Å; F524-W553 AromaticContact CG-CZ3 3.7Å; F524-W553 HydrophobicContact CG-CZ3 3.7Å; F524-W553 WeakPolarHBondContact O-CA 3.16Å; F524-F554 PolarHBondContact O-N 2.94Å |
| 525 | V | 92.9 | Very high | 88.1 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.024 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130.8 | 170.8 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | F463 V472 F474 F481 E527 F554 | F463-V525 HydrophobicContact CE2-CG2 4.24Å; F463-V525 HydrophobicContact CZ-CG2 3.95Å; V472-V525 PolarHBondContact O-N 2.87Å; F474-V525 PolarHBondContact N-O 3.39Å; F481-V525 HydrophobicContact CD2-CG1 3.92Å; F481-V525 HydrophobicContact CE2-CB 4.36Å; F481-V525 HydrophobicContact CE2-CG1 3.96Å; F481-V525 HydrophobicContact CE2-CG2 4.05Å; F481-V525 HydrophobicContact CZ-CG2 4.38Å; V525-E527 HydrophobicContact CG1-CG 4.26Å; V525-F554 HydrophobicContact CG1-CB 4.48Å; V525-F554 HydrophobicContact CG2-CB 4.38Å |
| 526 | V | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 98.8 | -177.7 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | F474 Y528 T533 I536 W553 F554 L555 | F474-V526 HydrophobicContact CB-CG1 4.49Å; F474-V526 HydrophobicContact CB-CG2 4.41Å; F474-V526 CarbonylContact O-C 3.54Å; F474-V526 WeakPolarHBondContact O-CA 3.17Å; V526-Y528 HydrophobicContact CG1-CD2 4.33Å; V526-T533 HydrophobicContact CG1-CG2 4.12Å; V526-I536 HydrophobicContact CG1-CD1 3.92Å; V526-I536 HydrophobicContact CG2-CG2 4.14Å; V526-W553 HydrophobicContact CG2-CE3 3.7Å; V526-W553 HydrophobicContact CG2-CZ3 3.82Å; V526-F554 PolarHBondContact N-O 3.24Å; V526-L555 HydrophobicContact CB-CD2 4.05Å; V526-L555 HydrophobicContact CG2-CD2 4.38Å |
| 527 | E | 86.5 | Confident | 88.4 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 68.2 | 173.1 | -62.7 | -164.7 | -173.3 | 0 | 0 | 110.7 | F474 R475 K476 H479 F480 F481 V525 N556 | F474-E527 PolarHBondContact O-N 3Å; R475-E527 WeakPolarHBondContact CA-O 3.23Å; R475-E527 HydrophobicContact CB-CB 3.97Å; K476-E527 PolarHBondContact N-O 3.05Å; H479-E527 HydrophobicContact CB-CB 4.15Å; H479-E527 PolarHBondContact ND1-O 3.42Å; F480-E527 WeakPolarHBondContact CD1-OE2 3.29Å; F480-E527 HydrophobicContact CE1-CG 4.26Å; F480-E527 WeakPolarHBondContact CE2-OE1 3.33Å; F480-E527 HydrophobicContact CZ-CG 4.37Å; F480-E527 WeakPolarHBondContact CZ-OE1 3.47Å; F480-E527 PolarHBondContact N-OE2 2.89Å; F481-E527 WeakPolarHBondContact CB-OE1 3.35Å; F481-E527 PolarHBondContact N-OE1 3.21Å; F481-E527 PolarHBondContact N-OE2 2.04Å; V525-E527 HydrophobicContact CG1-CG 4.26Å; E527-N556 WeakPolarHBondContact CA-ND2 3.44Å |
| 528 | Y | 85 | Confident | 88.6 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -122.9 | 163.8 | 169.3 | -84.3 | -83.2 | 0 | 0 | 0 | 110.9 | F474 R475 K476 M499 E501 L504 V526 T533 I536 N556 | F474-Y528 HydrophobicContact CB-CD2 4.14Å; F474-Y528 HydrophobicContact CB-CE2 3.91Å; R475-Y528 VanDerWaalsContact C-CZ 3.46Å; R475-Y528 VanDerWaalsContact N-CE2 3.3Å; R475-Y528 PolarHBondContact O-OH 2.9Å; K476-Y528 HydrophobicContact CB-CE1 4.31Å; M499-Y528 WeakPolarHBondContact CG-OH 3.48Å; M499-Y528 PolarHBondContact N-OH 2.83Å; M499-Y528 PolarHBondContact O-OH 2.98Å; M499-Y528 VanDerWaalsContact O-OH 3.09Å; E501-Y528 HydrophobicContact CB-CD1 4.34Å; E501-Y528 HydrophobicContact CG-CD1 4.15Å; L504-Y528 HydrophobicContact CD2-CD1 4.06Å; L504-Y528 HydrophobicContact CD2-CD2 4.38Å; L504-Y528 HydrophobicContact CD2-CE1 3.96Å; L504-Y528 HydrophobicContact CD2-CE2 4.29Å; L504-Y528 HydrophobicContact CD2-CG 4.28Å; V526-Y528 HydrophobicContact CG1-CD2 4.33Å; Y528-T533 PolarHBondContact O-OG1 2.84Å; Y528-I536 HydrophobicContact CD2-CD1 3.54Å; Y528-I536 HydrophobicContact CE2-CD1 3.87Å; Y528-I536 HydrophobicContact CG-CD1 4.29Å; Y528-N556 PolarHBondContact N-ND2 3.5Å; Y528-N556 PolarHBondContact O-ND2 2.68Å | ||
| 529 | D | 76.5 | Confident | 89 | Confident | 24 Ų | 24 | 16.3 Ų | 16.3 | 13% | 0.128 | 8% | 0.079 | C | C | . | . | trans | -69 | 177.8 | 166.7 | -63.5 | -48.8 | 0 | 0 | 0 | 111.7 | W340 R531 G532 T533 | W340-D529 HydrophobicContact CH2-CB 4.2Å; W340-D529 VanDerWaalsContact CH2-OD1 3.3Å; W340-D529 WeakPolarHBondContact CH2-OD1 3.44Å; W340-D529 HydrophobicContact CZ2-CB 4.39Å; W340-D529 VanDerWaalsContact CZ2-CG 3.49Å; W340-D529 WeakPolarHBondContact CZ2-OD2 3.48Å; D529-R531 VanDerWaalsContact C-N 3.3Å; D529-R531 PolarHBondContact O-N 3.06Å; D529-G532 PolarHBondContact O-N 2.85Å; D529-T533 WeakPolarHBondContact O-CB 3.44Å; D529-T533 PolarHBondContact O-N 2.78Å; D529-T533 PolarHBondContact O-OG1 3.45Å | ||
| 530 | A | 82.4 | Confident | 89.5 | Confident | 31 Ų | 31 | 12.6 Ų | 12.6 | 26% | 0.256 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -56.1 | -39.5 | -172 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y534 L559 W563 L567 | A530-Y534 VanDerWaalsContact O-CB 3.29Å; A530-Y534 WeakPolarHBondContact O-CB 3.07Å; A530-Y534 PolarHBondContact O-N 3.06Å; A530-L559 HydrophobicContact CB-CD2 4.08Å; A530-W563 HydrophobicContact CB-CE3 3.9Å; A530-W563 HydrophobicContact CB-CZ3 4.42Å; A530-W563 WeakPolarHBondContact O-CZ3 3.48Å; A530-L567 HydrophobicContact CB-CD1 3.98Å; A530-L567 VanDerWaalsContact O-CD1 3.26Å; A530-L567 WeakPolarHBondContact O-CD1 3.44Å |
| 531 | R | 86.7 | Confident | 89.9 | Confident | 81 Ų | 81 | 13 Ų | 13 | 31% | 0.306 | 6% | 0.06 | S | C | . | . | H | α-helix | trans | -73.1 | -43.4 | -178.6 | 164.6 | 177.9 | 165.5 | -76.3 | -12.3 | 111.4 | E501 L504 D529 Y534 L535 L567 | E501-R531 PolarHBondContact O-NH1 3.18Å; E501-R531 PolarHBondContact O-NH2 3.24Å; E501-R531 WeakPolarHBondContact OE1-CA 3.38Å; E501-R531 VanDerWaalsContact OE1-CB 3.3Å; E501-R531 WeakPolarHBondContact OE1-CB 3.49Å; E501-R531 PolarHBondContact OE1-N 2.91Å; E501-R531 IonicContact OE2-CZ 2.93Å; E501-R531 IonicContact OE2-NH1 3.85Å; E501-R531 PolarHBondContact OE2-NH1 3.38Å; L504-R531 PolarHBondContact O-NH2 3.25Å; D529-R531 VanDerWaalsContact C-N 3.3Å; D529-R531 PolarHBondContact O-N 3.06Å; R531-Y534 WeakPolarHBondContact O-CB 3.13Å; R531-Y534 PolarHBondContact O-N 3.05Å; R531-L535 HydrophobicContact CG-CD1 4.18Å; R531-L535 VanDerWaalsContact O-CG 3.29Å; R531-L535 WeakPolarHBondContact O-CG 3.13Å; R531-L535 PolarHBondContact O-N 3.47Å; R531-L535 VanDerWaalsContact O-N 3.08Å; R531-L567 HydrophobicContact CB-CD1 4.48Å; R531-L567 HydrophobicContact CB-CD2 4.35Å |
| 532 | G | 88.4 | Confident | 90.4 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E501 D529 Y534 L535 I536 | E501-G532 PolarHBondContact OE1-N 3.48Å; D529-G532 PolarHBondContact O-N 2.85Å; G532-Y534 VanDerWaalsContact C-N 3.35Å; G532-Y534 PolarHBondContact O-N 3.33Å; G532-L535 PolarHBondContact O-N 2.97Å; G532-I536 WeakPolarHBondContact O-CG1 3.46Å; G532-I536 PolarHBondContact O-N 3.32Å |
| 533 | T | 91 | Very high | 90.5 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.7 | -37.8 | 176.6 | -53.1 | 0 | 0 | 0 | 0 | 112 | V526 Y528 D529 L537 L555 L559 W563 | V526-T533 HydrophobicContact CG1-CG2 4.12Å; Y528-T533 PolarHBondContact O-OG1 2.84Å; D529-T533 WeakPolarHBondContact O-CB 3.44Å; D529-T533 PolarHBondContact O-N 2.78Å; D529-T533 PolarHBondContact O-OG1 3.45Å; T533-L537 HydrophobicContact CG2-CD1 3.69Å; T533-L537 HydrophobicContact CG2-CG 4.13Å; T533-L537 WeakPolarHBondContact O-CB 3.48Å; T533-L537 VanDerWaalsContact O-CG 3.3Å; T533-L537 WeakPolarHBondContact O-CG 3.29Å; T533-L537 PolarHBondContact O-N 3.03Å; T533-L555 HydrophobicContact CG2-CD1 4.3Å; T533-L555 HydrophobicContact CG2-CD2 4.03Å; T533-L559 HydrophobicContact CG2-CD1 3.96Å; T533-W563 HydrophobicContact CG2-CH2 3.59Å; T533-W563 HydrophobicContact CG2-CZ2 3.66Å; T533-W563 HydrophobicContact CG2-CZ3 4.43Å |
| 534 | Y | 91.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.2 | -50.6 | 172.3 | 172 | -90.5 | 0 | 0 | 0 | 111.4 | A530 R531 G532 I536 C538 W564 L567 V568 N571 E573 C574 M579 | A530-Y534 VanDerWaalsContact O-CB 3.29Å; A530-Y534 WeakPolarHBondContact O-CB 3.07Å; A530-Y534 PolarHBondContact O-N 3.06Å; R531-Y534 WeakPolarHBondContact O-CB 3.13Å; R531-Y534 PolarHBondContact O-N 3.05Å; G532-Y534 VanDerWaalsContact C-N 3.35Å; G532-Y534 PolarHBondContact O-N 3.33Å; Y534-I536 PolarHBondContact O-N 3.28Å; Y534-C538 WeakPolarHBondContact O-CB 3.31Å; Y534-C538 PolarHBondContact O-N 2.96Å; Y534-W564 HydrophobicContact CD2-CB 4.44Å; Y534-L567 HydrophobicContact CD2-CB 4.09Å; Y534-L567 HydrophobicContact CE2-CB 4.45Å; Y534-L567 HydrophobicContact CG-CB 4.29Å; Y534-L567 HydrophobicContact CG-CD1 4.3Å; Y534-V568 HydrophobicContact CE2-CG2 3.89Å; Y534-N571 HydrophobicContact CD1-CB 4.45Å; Y534-N571 WeakPolarHBondContact CD1-ND2 3.48Å; Y534-N571 HydrophobicContact CE1-CB 3.52Å; Y534-N571 VanDerWaalsContact CE1-ND2 3.35Å; Y534-N571 WeakPolarHBondContact CE1-ND2 3.48Å; Y534-N571 PolarHBondContact OH-O 2.94Å; Y534-E573 HydrophobicContact CE1-CB 4.37Å; Y534-C574 HydrophobicContact CE2-CB 4.48Å; Y534-C574 PolarHBondContact OH-N 2.93Å; Y534-C574 PolarHBondContact OH-O 2.93Å; Y534-M579 HydrophobicContact CD2-CE 3.9Å; Y534-M579 HydrophobicContact CD2-CG 4.08Å; Y534-M579 HydrophobicContact CD2-SD 3.7Å; Y534-M579 HydrophobicContact CE2-CG 3.76Å; Y534-M579 HydrophobicContact CE2-SD 3.79Å |
| 535 | L | 92.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 16.4 Ų | 16.4 | 6% | 0.058 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | -176.4 | -66.1 | 168 | 0 | 0 | 0 | 111.8 | L504 R531 G532 A539 | L504-L535 HydrophobicContact CG-CD1 4.38Å; L504-L535 WeakPolarHBondContact O-CD1 3.37Å; R531-L535 HydrophobicContact CG-CD1 4.18Å; R531-L535 VanDerWaalsContact O-CG 3.29Å; R531-L535 WeakPolarHBondContact O-CG 3.13Å; R531-L535 PolarHBondContact O-N 3.47Å; R531-L535 VanDerWaalsContact O-N 3.08Å; G532-L535 PolarHBondContact O-N 2.97Å; L535-A539 WeakPolarHBondContact O-CB 3.33Å; L535-A539 PolarHBondContact O-N 2.62Å |
| 536 | I | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.3 | -51.6 | 179.5 | -67.3 | 160.7 | 0 | 0 | 0 | 111.1 | F474 L504 A509 V526 Y528 G532 Y534 C538 A539 A540 W553 | F474-I536 HydrophobicContact CB-CD1 3.83Å; F474-I536 HydrophobicContact CD1-CD1 3.6Å; F474-I536 HydrophobicContact CD1-CG1 3.97Å; F474-I536 HydrophobicContact CD1-CG2 4.42Å; F474-I536 HydrophobicContact CD2-CG2 4.33Å; F474-I536 HydrophobicContact CE1-CD1 4.36Å; F474-I536 HydrophobicContact CE1-CG1 4.23Å; F474-I536 HydrophobicContact CE1-CG2 4.47Å; F474-I536 HydrophobicContact CE2-CG2 4.4Å; F474-I536 HydrophobicContact CG-CD1 3.89Å; F474-I536 HydrophobicContact CG-CG1 4.49Å; F474-I536 HydrophobicContact CG-CG2 4.34Å; F474-I536 HydrophobicContact CZ-CG2 4.46Å; L504-I536 HydrophobicContact CD1-CG1 4.29Å; L504-I536 HydrophobicContact CD2-CD1 3.75Å; L504-I536 HydrophobicContact CD2-CG1 4.01Å; A509-I536 HydrophobicContact CB-CG1 4.41Å; V526-I536 HydrophobicContact CG1-CD1 3.92Å; V526-I536 HydrophobicContact CG2-CG2 4.14Å; Y528-I536 HydrophobicContact CD2-CD1 3.54Å; Y528-I536 HydrophobicContact CE2-CD1 3.87Å; Y528-I536 HydrophobicContact CG-CD1 4.29Å; G532-I536 WeakPolarHBondContact O-CG1 3.46Å; G532-I536 PolarHBondContact O-N 3.32Å; Y534-I536 PolarHBondContact O-N 3.28Å; I536-C538 VanDerWaalsContact C-N 3.34Å; I536-C538 PolarHBondContact O-N 3.04Å; I536-A539 PolarHBondContact O-N 3.42Å; I536-A540 WeakPolarHBondContact O-CB 3.24Å; I536-A540 PolarHBondContact O-N 2.66Å; I536-W553 HydrophobicContact CG2-CH2 4.36Å; I536-W553 HydrophobicContact CG2-CZ3 3.84Å |
| 537 | L | 93.6 | Very high | 89.8 | Confident | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.026 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.1 | -31.4 | -176.4 | -65.4 | 179.7 | 0 | 0 | 0 | 112.8 | T533 Y541 W553 L555 W563 I582 T586 | T533-L537 HydrophobicContact CG2-CD1 3.69Å; T533-L537 HydrophobicContact CG2-CG 4.13Å; T533-L537 WeakPolarHBondContact O-CB 3.48Å; T533-L537 VanDerWaalsContact O-CG 3.3Å; T533-L537 WeakPolarHBondContact O-CG 3.29Å; T533-L537 PolarHBondContact O-N 3.03Å; L537-Y541 WeakPolarHBondContact O-CB 3.38Å; L537-Y541 PolarHBondContact O-N 2.87Å; L537-W553 HydrophobicContact CD2-CB 4.3Å; L537-W553 HydrophobicContact CD2-CD2 3.76Å; L537-W553 HydrophobicContact CD2-CE3 3.54Å; L537-W553 HydrophobicContact CD2-CG 4.09Å; L537-W553 HydrophobicContact CD2-CZ3 4.17Å; L537-L555 HydrophobicContact CD1-CD1 3.95Å; L537-L555 HydrophobicContact CD1-CD2 3.84Å; L537-L555 HydrophobicContact CD2-CD2 4.1Å; L537-L555 HydrophobicContact CG-CD2 4.37Å; L537-W563 HydrophobicContact CD1-CH2 4.35Å; L537-W563 HydrophobicContact CD1-CZ2 4Å; L537-I582 HydrophobicContact CB-CG2 3.59Å; L537-I582 HydrophobicContact CD1-CG2 4.06Å; L537-I582 HydrophobicContact CG-CG2 4.37Å; L537-T586 HydrophobicContact CD1-CG2 4.43Å |
| 538 | C | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.6 | -45.7 | 172.8 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | Y506 Y534 I536 A540 Y541 H542 E573 C574 | Y506-C538 HydrophobicContact CE2-CB 4.25Å; Y534-C538 WeakPolarHBondContact O-CB 3.31Å; Y534-C538 PolarHBondContact O-N 2.96Å; I536-C538 VanDerWaalsContact C-N 3.34Å; I536-C538 PolarHBondContact O-N 3.04Å; C538-A540 VanDerWaalsContact C-N 3.33Å; C538-A540 PolarHBondContact O-N 3.37Å; C538-Y541 WeakPolarHBondContact O-CB 3.38Å; C538-Y541 PolarHBondContact O-N 3.49Å; C538-H542 PolarHBondContact O-N 3.18Å; C538-H542 VanDerWaalsContact O-N 3.16Å; C538-E573 PolarHBondContact SG-O 3.19Å; C538-E573 VanDerWaalsContact SG-O 3.35Å; C538-C574 WeakPolarHBondContact CA-SG 3.4Å; C538-C574 HydrophobicContact CB-CB 3.85Å; C538-C574 WeakPolarHBondContact CB-SG 3.47Å; C538-C574 WeakPolarHBondContact SG-CB 3.26Å; C538-C574 PolarHBondContact SG-N 2.88Å; C538-C574 VanDerWaalsContact SG-N 3.41Å; C538-C574 CovalentContact SG-SG 2.03Å; C538-C574 PolarHBondContact SG-SG 3.46Å |
| 539 | A | 94 | Very high | 89.7 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y506 A509 K510 L513 L535 I536 Y541 H542 E543 | Y506-A539 HydrophobicContact CD2-CB 4.13Å; Y506-A539 HydrophobicContact CE2-CB 3.82Å; A509-A539 HydrophobicContact CB-CB 3.95Å; K510-A539 HydrophobicContact CB-CB 4.07Å; L513-A539 HydrophobicContact CD1-CB 3.83Å; L535-A539 WeakPolarHBondContact O-CB 3.33Å; L535-A539 PolarHBondContact O-N 2.62Å; I536-A539 PolarHBondContact O-N 3.42Å; A539-Y541 VanDerWaalsContact C-N 3.34Å; A539-Y541 PolarHBondContact O-N 3.41Å; A539-H542 PolarHBondContact O-N 3.39Å; A539-E543 PolarHBondContact O-N 3.44Å |
| 540 | A | 93.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L513 I536 C538 E543 G544 M545 W553 | L513-A540 HydrophobicContact CD1-CB 3.97Å; I536-A540 WeakPolarHBondContact O-CB 3.24Å; I536-A540 PolarHBondContact O-N 2.66Å; C538-A540 VanDerWaalsContact C-N 3.33Å; C538-A540 PolarHBondContact O-N 3.37Å; A540-E543 CarbonylContact O-C 3.56Å; A540-E543 PolarHBondContact O-N 3.18Å; A540-G544 PolarHBondContact O-N 3.33Å; A540-G544 VanDerWaalsContact O-N 3.13Å; A540-M545 HydrophobicContact CB-CB 4.21Å; A540-M545 WeakPolarHBondContact O-CB 3.21Å; A540-M545 PolarHBondContact O-N 2.88Å; A540-W553 HydrophobicContact CB-CH2 3.65Å; A540-W553 HydrophobicContact CB-CZ2 3.37Å |
| 541 | Y | 93.1 | Very high | 90.7 | Very high | 55 Ų | 55 | 24.7 Ų | 24.7 | 22% | 0.216 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 176.2 | -176.3 | -99.8 | 0 | 0 | 0 | 112.3 | L537 C538 A539 E543 G544 E578 N581 I582 W585 | L537-Y541 WeakPolarHBondContact O-CB 3.38Å; L537-Y541 PolarHBondContact O-N 2.87Å; C538-Y541 WeakPolarHBondContact O-CB 3.38Å; C538-Y541 PolarHBondContact O-N 3.49Å; A539-Y541 VanDerWaalsContact C-N 3.34Å; A539-Y541 PolarHBondContact O-N 3.41Å; Y541-E543 VanDerWaalsContact C-N 3.3Å; Y541-E543 PolarHBondContact O-N 2.93Å; Y541-G544 WeakPolarHBondContact O-CA 3.48Å; Y541-G544 PolarHBondContact O-N 3.49Å; Y541-E578 HydrophobicContact CD1-CB 4.39Å; Y541-E578 HydrophobicContact CD1-CG 4.39Å; Y541-E578 HydrophobicContact CE1-CB 4.01Å; Y541-E578 HydrophobicContact CE1-CG 3.64Å; Y541-N581 HydrophobicContact CE2-CB 4.33Å; Y541-N581 PolarHBondContact OH-ND2 2.98Å; Y541-I582 VanDerWaalsContact CB-CD1 3.47Å; Y541-I582 HydrophobicContact CD1-CD1 4.26Å; Y541-I582 HydrophobicContact CD2-CD1 3.92Å; Y541-I582 HydrophobicContact CD2-CG1 3.31Å; Y541-I582 HydrophobicContact CE2-CG1 4.07Å; Y541-I582 HydrophobicContact CG-CD1 3.64Å; Y541-I582 HydrophobicContact CG-CG1 3.59Å; Y541-W585 AromaticContact CD2-CH2 3.57Å; Y541-W585 HydrophobicContact CD2-CH2 3.57Å; Y541-W585 HydrophobicContact CD2-CZ3 4.02Å; Y541-W585 AromaticContact CE2-CH2 3.59Å; Y541-W585 HydrophobicContact CE2-CH2 3.59Å; Y541-W585 HydrophobicContact CE2-CZ2 4.31Å; Y541-W585 HydrophobicContact CE2-CZ3 4.46Å |
| 542 | H | 93.4 | Very high | 90.9 | Very high | 78 Ų | 78 | 20.8 Ų | 20.8 | 36% | 0.361 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -69.1 | -27.4 | 177.4 | -71.3 | 142.9 | 0 | 0 | 0 | 113.3 | Y506 C538 A539 G544 E573 | Y506-H542 PolarHBondContact OH-ND1 2.99Å; C538-H542 PolarHBondContact O-N 3.18Å; C538-H542 VanDerWaalsContact O-N 3.16Å; A539-H542 PolarHBondContact O-N 3.39Å; H542-G544 PolarHBondContact O-N 3.48Å; H542-E573 PolarHBondContact CE1-O 3.12Å; H542-E573 VanDerWaalsContact CE1-O 3.22Å |
| 543 | E | 92.5 | Very high | 91.2 | Very high | 27 Ų | 27 | 21.2 Ų | 21.2 | 13% | 0.126 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 4.1 | 166.6 | -74.5 | -52.2 | 122.9 | 0 | 0 | 114.5 | K510 E514 K517 A539 A540 Y541 M545 | K510-E543 VanDerWaalsContact CE-OE1 3.27Å; K510-E543 WeakPolarHBondContact CE-OE1 3.31Å; K510-E543 HydrophobicContact CG-CG 4.25Å; K510-E543 IonicContact NZ-OE1 3.76Å; K510-E543 PolarHBondContact NZ-OE1 2.89Å; E514-E543 HydrophobicContact CG-CG 4.03Å; K517-E543 HydrophobicContact CD-CB 4.28Å; K517-E543 WeakPolarHBondContact CE-O 3.46Å; K517-E543 PolarHBondContact NZ-O 2.9Å; K517-E543 IonicContact NZ-OE2 2.71Å; K517-E543 PolarHBondContact NZ-OE2 3.49Å; A539-E543 PolarHBondContact O-N 3.44Å; A540-E543 CarbonylContact O-C 3.56Å; A540-E543 PolarHBondContact O-N 3.18Å; Y541-E543 VanDerWaalsContact C-N 3.3Å; Y541-E543 PolarHBondContact O-N 2.93Å; E543-M545 HydrophobicContact CB-CG 4.06Å; E543-M545 HydrophobicContact CB-SD 3.97Å; E543-M545 PolarHBondContact O-N 3.2Å |
| 544 | G | 91.5 | Very high | 91.2 | Very high | 21 Ų | 21 | 21.4 Ų | 21.4 | 22% | 0.216 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 19.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A540 Y541 H542 Y546 | A540-G544 PolarHBondContact O-N 3.33Å; A540-G544 VanDerWaalsContact O-N 3.13Å; Y541-G544 WeakPolarHBondContact O-CA 3.48Å; Y541-G544 PolarHBondContact O-N 3.49Å; H542-G544 PolarHBondContact O-N 3.48Å; G544-Y546 WeakPolarHBondContact O-CD1 3.47Å; G544-Y546 PolarHBondContact O-N 3.02Å |
| 545 | M | 92.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | trans | -84.7 | 50.8 | -176.6 | -60 | 173.2 | 71.5 | 0 | 0 | 111.3 | L513 K517 F524 A540 E543 Y551 W553 | L513-M545 HydrophobicContact CB-SD 3.89Å; L513-M545 HydrophobicContact CD2-CE 3.88Å; L513-M545 HydrophobicContact CD2-SD 4.03Å; L513-M545 HydrophobicContact CG-SD 4.45Å; K517-M545 HydrophobicContact CB-CE 4.37Å; K517-M545 HydrophobicContact CB-SD 4.17Å; K517-M545 HydrophobicContact CD-CG 4.26Å; K517-M545 HydrophobicContact CD-SD 4.35Å; F524-M545 HydrophobicContact CE1-CE 3.96Å; F524-M545 HydrophobicContact CE2-CE 3.87Å; F524-M545 HydrophobicContact CZ-CE 3.32Å; A540-M545 HydrophobicContact CB-CB 4.21Å; A540-M545 WeakPolarHBondContact O-CB 3.21Å; A540-M545 PolarHBondContact O-N 2.88Å; E543-M545 HydrophobicContact CB-CG 4.06Å; E543-M545 HydrophobicContact CB-SD 3.97Å; E543-M545 PolarHBondContact O-N 3.2Å; M545-Y551 VanDerWaalsContact CA-CD2 3.47Å; M545-Y551 HydrophobicContact CB-CD1 3.84Å; M545-Y551 HydrophobicContact CB-CD2 4.13Å; M545-Y551 HydrophobicContact CB-CE1 3.99Å; M545-Y551 HydrophobicContact CB-CE2 4.26Å; M545-Y551 HydrophobicContact CB-CG 3.91Å; M545-Y551 HydrophobicContact CE-CD1 4.02Å; M545-Y551 HydrophobicContact CE-CE1 3.68Å; M545-Y551 HydrophobicContact CG-CD1 4.24Å; M545-Y551 HydrophobicContact CG-CE1 3.87Å; M545-Y551 HydrophobicContact CG-CE2 4.34Å; M545-Y551 VanDerWaalsContact O-CB 3.29Å; M545-Y551 WeakPolarHBondContact O-CB 3.44Å; M545-W553 HydrophobicContact CB-CZ2 4.18Å; M545-W553 HydrophobicContact CE-CZ2 4.46Å; M545-W553 PolarHBondContact O-NE1 3.43Å | ||
| 546 | Y | 87.7 | Confident | 90.6 | Very high | 88 Ų | 88 | 21.4 Ų | 21.4 | 35% | 0.345 | 12% | 0.117 | S | C | . | . | trans | -102.1 | 167.7 | -175 | 49.4 | -112.5 | 0 | 0 | 0 | 113.4 | G544 S548 A549 G550 Y551 W585 | G544-Y546 WeakPolarHBondContact O-CD1 3.47Å; G544-Y546 PolarHBondContact O-N 3.02Å; Y546-S548 WeakPolarHBondContact CD2-OG 3.31Å; Y546-S548 WeakPolarHBondContact CE2-OG 3.48Å; Y546-S548 PolarHBondContact O-N 3.03Å; Y546-A549 HydrophobicContact CD2-CB 3.72Å; Y546-A549 HydrophobicContact CE2-CB 3.61Å; Y546-A549 CarbonylContact O-C 3.57Å; Y546-A549 WeakPolarHBondContact O-CA 3.39Å; Y546-A549 WeakPolarHBondContact O-CB 3.34Å; Y546-A549 PolarHBondContact O-N 3.4Å; Y546-G550 PolarHBondContact O-N 3.3Å; Y546-Y551 PolarHBondContact O-N 3.45Å; Y546-W585 HydrophobicContact CD1-CH2 4.47Å; Y546-W585 HydrophobicContact CG-CH2 4.09Å; Y546-W585 HydrophobicContact CG-CZ3 4.43Å | ||
| 547 | F | 86.4 | Confident | 89.7 | Confident | 13 Ų | 13 | 21.8 Ų | 21.8 | 6% | 0.057 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -60.6 | -41.2 | -169.9 | -174.9 | -98.5 | 0 | 0 | 0 | 114.7 | A549 G550 Y551 V552 W585 F587 W877 L880 | F547-A549 PolarHBondContact O-N 2.67Å; F547-G550 WeakPolarHBondContact O-CA 3.46Å; F547-G550 PolarHBondContact O-N 3.24Å; F547-Y551 WeakPolarHBondContact CA-O 3.39Å; F547-V552 HydrophobicContact CE2-CG2 4.5Å; F547-W585 HydrophobicContact CB-CB 3.38Å; F547-W585 HydrophobicContact CB-CD2 4.33Å; F547-W585 HydrophobicContact CB-CG 3.83Å; F547-W585 HydrophobicContact CG-CB 3.98Å; F547-F587 HydrophobicContact CD2-CE2 4.4Å; F547-F587 AromaticContact CE2-CE2 3.89Å; F547-F587 HydrophobicContact CE2-CE2 3.89Å; F547-F587 HydrophobicContact CE2-CZ 4.21Å; F547-W877 HydrophobicContact CE2-CE3 4.03Å; F547-W877 HydrophobicContact CE2-CZ3 4.16Å; F547-W877 AromaticContact CZ-CE3 3.84Å; F547-W877 HydrophobicContact CZ-CE3 3.84Å; F547-W877 HydrophobicContact CZ-CZ3 4.41Å; F547-L880 HydrophobicContact CE1-CD1 4.18Å; F547-L880 HydrophobicContact CZ-CD1 4.18Å |
| 548 | S | 83.4 | Confident | 88.5 | Confident | 75 Ų | 75 | 24.3 Ų | 24.3 | 52% | 0.524 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -69.4 | -12.5 | 174.6 | 49 | 0 | 0 | 0 | 0 | 114.2 | Y546 | Y546-S548 WeakPolarHBondContact CD2-OG 3.31Å; Y546-S548 WeakPolarHBondContact CE2-OG 3.48Å; Y546-S548 PolarHBondContact O-N 3.03Å |
| 549 | A | 86.9 | Confident | 87.5 | Confident | 36 Ų | 36 | 24.8 Ų | 24.8 | 30% | 0.298 | 13% | 0.131 | S | C | . | . | G | 310 helix | trans | -93.6 | 9.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R522 Y546 F547 Y551 | R522-A549 PolarHBondContact NH1-O 2.82Å; Y546-A549 HydrophobicContact CD2-CB 3.72Å; Y546-A549 HydrophobicContact CE2-CB 3.61Å; Y546-A549 CarbonylContact O-C 3.57Å; Y546-A549 WeakPolarHBondContact O-CA 3.39Å; Y546-A549 WeakPolarHBondContact O-CB 3.34Å; Y546-A549 PolarHBondContact O-N 3.4Å; F547-A549 PolarHBondContact O-N 2.67Å; A549-Y551 HydrophobicContact CB-CD2 3.88Å; A549-Y551 HydrophobicContact CB-CE2 3.96Å; A549-Y551 WeakPolarHBondContact O-CD2 3.39Å; A549-Y551 WeakPolarHBondContact O-CE2 3.43Å |
| 550 | G | 87.3 | Confident | 86.2 | Confident | 10 Ų | 10 | 26.5 Ų | 26.5 | 10% | 0.103 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 19.3 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y546 F547 | Y546-G550 PolarHBondContact O-N 3.3Å; F547-G550 WeakPolarHBondContact O-CA 3.46Å; F547-G550 PolarHBondContact O-N 3.24Å |
| 551 | Y | 91.2 | Very high | 85 | Confident | 13 Ų | 13 | 29.2 Ų | 29.2 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | trans | -101.1 | 133 | 179.4 | -64.9 | -95 | 0 | 0 | 0 | 111.8 | S521 R522 F524 M545 Y546 F547 A549 | S521-Y551 WeakPolarHBondContact O-CE1 3.24Å; R522-Y551 VanDerWaalsContact NH1-CE2 3.3Å; R522-Y551 WeakPolarHBondContact O-CA 3.49Å; F524-Y551 AromaticContact CE2-CD1 3.86Å; F524-Y551 HydrophobicContact CE2-CD1 3.86Å; F524-Y551 HydrophobicContact CE2-CE1 4.36Å; M545-Y551 VanDerWaalsContact CA-CD2 3.47Å; M545-Y551 HydrophobicContact CB-CD1 3.84Å; M545-Y551 HydrophobicContact CB-CD2 4.13Å; M545-Y551 HydrophobicContact CB-CE1 3.99Å; M545-Y551 HydrophobicContact CB-CE2 4.26Å; M545-Y551 HydrophobicContact CB-CG 3.91Å; M545-Y551 HydrophobicContact CE-CD1 4.02Å; M545-Y551 HydrophobicContact CE-CE1 3.68Å; M545-Y551 HydrophobicContact CG-CD1 4.24Å; M545-Y551 HydrophobicContact CG-CE1 3.87Å; M545-Y551 HydrophobicContact CG-CE2 4.34Å; M545-Y551 VanDerWaalsContact O-CB 3.29Å; M545-Y551 WeakPolarHBondContact O-CB 3.44Å; Y546-Y551 PolarHBondContact O-N 3.45Å; F547-Y551 WeakPolarHBondContact CA-O 3.39Å; A549-Y551 HydrophobicContact CB-CD2 3.88Å; A549-Y551 HydrophobicContact CB-CE2 3.96Å; A549-Y551 WeakPolarHBondContact O-CD2 3.39Å; A549-Y551 WeakPolarHBondContact O-CE2 3.43Å | ||
| 552 | V | 91.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.6 | -179.1 | -168.9 | 0 | 0 | 0 | 0 | 110.7 | W468 R522 I523 F524 F547 F554 F587 W877 P884 | W468-V552 HydrophobicContact CH2-CB 4.15Å; W468-V552 HydrophobicContact CH2-CG1 3.96Å; W468-V552 HydrophobicContact CH2-CG2 3.94Å; W468-V552 HydrophobicContact CZ2-CG2 4.1Å; W468-V552 HydrophobicContact CZ3-CG1 4.44Å; R522-V552 PolarHBondContact O-N 2.77Å; I523-V552 HydrophobicContact CD1-CB 3.97Å; I523-V552 HydrophobicContact CD1-CG2 3.89Å; F524-V552 PolarHBondContact N-O 2.82Å; F547-V552 HydrophobicContact CE2-CG2 4.5Å; V552-F554 HydrophobicContact CB-CE2 4.35Å; V552-F554 HydrophobicContact CG1-CD2 4.3Å; V552-F554 HydrophobicContact CG1-CE2 3.5Å; V552-F554 VanDerWaalsContact CG1-CE2 3.5Å; V552-F554 HydrophobicContact CG1-CZ 3.88Å; V552-F587 HydrophobicContact CG1-CD2 3.75Å; V552-F587 HydrophobicContact CG1-CE2 3.81Å; V552-W877 HydrophobicContact CG2-CZ3 4.33Å; V552-P884 HydrophobicContact CG2-CG 3.52Å |
| 553 | W | 93.5 | Very high | 83.6 | Confident | 9 Ų | 9 | 26.6 Ų | 26.6 | 3% | 0.034 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 116.5 | -174.2 | -65.7 | 89.3 | 0 | 0 | 0 | 111.5 | L513 F524 V526 I536 L537 A540 M545 T586 F587 | L513-W553 HydrophobicContact CD2-CH2 3.87Å; F524-W553 HydrophobicContact CB-CD2 3.79Å; F524-W553 HydrophobicContact CB-CE3 3.4Å; F524-W553 VanDerWaalsContact CB-CE3 3.4Å; F524-W553 HydrophobicContact CB-CH2 4Å; F524-W553 HydrophobicContact CB-CZ2 4.33Å; F524-W553 HydrophobicContact CB-CZ3 3.53Å; F524-W553 HydrophobicContact CD1-CE3 4.4Å; F524-W553 AromaticContact CD1-CH2 3.46Å; F524-W553 HydrophobicContact CD1-CH2 3.46Å; F524-W553 VanDerWaalsContact CD1-CH2 3.46Å; F524-W553 HydrophobicContact CD1-CZ2 4.09Å; F524-W553 AromaticContact CD1-CZ3 3.65Å; F524-W553 HydrophobicContact CD1-CZ3 3.65Å; F524-W553 HydrophobicContact CD2-CH2 4.25Å; F524-W553 HydrophobicContact CD2-CZ2 4.07Å; F524-W553 AromaticContact CE1-CH2 3.97Å; F524-W553 HydrophobicContact CE1-CH2 3.97Å; F524-W553 HydrophobicContact CE1-CZ2 4.45Å; F524-W553 HydrophobicContact CE2-CZ2 4.47Å; F524-W553 HydrophobicContact CG-CD2 4.26Å; F524-W553 HydrophobicContact CG-CE3 4Å; F524-W553 AromaticContact CG-CH2 3.63Å; F524-W553 HydrophobicContact CG-CH2 3.63Å; F524-W553 AromaticContact CG-CZ2 3.9Å; F524-W553 HydrophobicContact CG-CZ2 3.9Å; F524-W553 AromaticContact CG-CZ3 3.7Å; F524-W553 HydrophobicContact CG-CZ3 3.7Å; F524-W553 WeakPolarHBondContact O-CA 3.16Å; V526-W553 HydrophobicContact CG2-CE3 3.7Å; V526-W553 HydrophobicContact CG2-CZ3 3.82Å; I536-W553 HydrophobicContact CG2-CH2 4.36Å; I536-W553 HydrophobicContact CG2-CZ3 3.84Å; L537-W553 HydrophobicContact CD2-CB 4.3Å; L537-W553 HydrophobicContact CD2-CD2 3.76Å; L537-W553 HydrophobicContact CD2-CE3 3.54Å; L537-W553 HydrophobicContact CD2-CG 4.09Å; L537-W553 HydrophobicContact CD2-CZ3 4.17Å; A540-W553 HydrophobicContact CB-CH2 3.65Å; A540-W553 HydrophobicContact CB-CZ2 3.37Å; M545-W553 HydrophobicContact CB-CZ2 4.18Å; M545-W553 HydrophobicContact CE-CZ2 4.46Å; M545-W553 PolarHBondContact O-NE1 3.43Å; W553-T586 HydrophobicContact CB-CG2 4.17Å; W553-F587 PolarHBondContact O-N 2.82Å |
| 554 | F | 92.4 | Very high | 83.1 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 129.8 | 172.5 | -66.2 | -90.5 | 0 | 0 | 0 | 110.1 | L459 F463 W466 W468 I523 F524 V525 V526 V552 F587 L801 | L459-F554 HydrophobicContact CD2-CD1 3.57Å; L459-F554 HydrophobicContact CD2-CE1 3.99Å; L459-F554 HydrophobicContact CD2-CG 4.08Å; F463-F554 HydrophobicContact CE1-CD2 4.01Å; F463-F554 HydrophobicContact CE1-CE1 4.39Å; F463-F554 AromaticContact CE1-CE2 3.67Å; F463-F554 HydrophobicContact CE1-CE2 3.67Å; F463-F554 AromaticContact CE1-CZ 3.9Å; F463-F554 HydrophobicContact CE1-CZ 3.9Å; F463-F554 HydrophobicContact CZ-CD2 4.13Å; F463-F554 HydrophobicContact CZ-CE2 4.23Å; W466-F554 HydrophobicContact CZ3-CE1 4.4Å; W466-F554 AromaticContact CZ3-CZ 3.84Å; W466-F554 HydrophobicContact CZ3-CZ 3.84Å; W468-F554 HydrophobicContact CH2-CE2 4.35Å; W468-F554 HydrophobicContact CH2-CZ 4.34Å; W468-F554 AromaticContact CZ3-CE2 3.73Å; W468-F554 HydrophobicContact CZ3-CE2 3.73Å; W468-F554 AromaticContact CZ3-CZ 3.88Å; W468-F554 HydrophobicContact CZ3-CZ 3.88Å; I523-F554 HydrophobicContact CG2-CE2 4.33Å; F524-F554 PolarHBondContact O-N 2.94Å; V525-F554 HydrophobicContact CG1-CB 4.48Å; V525-F554 HydrophobicContact CG2-CB 4.38Å; V526-F554 PolarHBondContact N-O 3.24Å; V552-F554 HydrophobicContact CB-CE2 4.35Å; V552-F554 HydrophobicContact CG1-CD2 4.3Å; V552-F554 HydrophobicContact CG1-CE2 3.5Å; V552-F554 VanDerWaalsContact CG1-CE2 3.5Å; V552-F554 HydrophobicContact CG1-CZ 3.88Å; F554-F587 CarbonylContact C-O 3.53Å; F554-F587 WeakPolarHBondContact CA-O 3.4Å; F554-F587 HydrophobicContact CD1-CB 3.66Å; F554-F587 HydrophobicContact CE1-CB 3.58Å; F554-F587 HydrophobicContact CE1-CG 4.13Å; F554-F587 HydrophobicContact CG-CB 4.4Å; F554-F587 HydrophobicContact CZ-CB 4.27Å; F554-F587 HydrophobicContact CZ-CG 4.42Å; F554-L801 HydrophobicContact CE1-CD1 4.34Å |
| 555 | L | 90.2 | Very high | 82.7 | Confident | 9 Ų | 9 | 26.8 Ų | 26.8 | 5% | 0.047 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 161.9 | 179.7 | -40.1 | 179.5 | 0 | 0 | 0 | 111.4 | V526 T533 L537 L559 W563 T586 F587 T588 | V526-L555 HydrophobicContact CB-CD2 4.05Å; V526-L555 HydrophobicContact CG2-CD2 4.38Å; T533-L555 HydrophobicContact CG2-CD1 4.3Å; T533-L555 HydrophobicContact CG2-CD2 4.03Å; L537-L555 HydrophobicContact CD1-CD1 3.95Å; L537-L555 HydrophobicContact CD1-CD2 3.84Å; L537-L555 HydrophobicContact CD2-CD2 4.1Å; L537-L555 HydrophobicContact CG-CD2 4.37Å; L555-L559 HydrophobicContact CB-CD1 4.14Å; L555-W563 HydrophobicContact CD1-CZ2 4.42Å; L555-T586 HydrophobicContact CD1-CG2 3.99Å; L555-T586 HydrophobicContact CG-CG2 4.33Å; L555-F587 PolarHBondContact N-O 2.8Å; L555-T588 HydrophobicContact CB-CG2 4.09Å; L555-T588 WeakPolarHBondContact O-CG2 3.36Å |
| 556 | N | 80.8 | Confident | 82 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | trans | -51 | 136.4 | 167.4 | -74.1 | -31.4 | 0 | 0 | 0 | 112.7 | F480 E527 Y528 W558 L559 | F480-N556 WeakPolarHBondContact CE1-OD1 3.41Å; E527-N556 WeakPolarHBondContact CA-ND2 3.44Å; Y528-N556 PolarHBondContact N-ND2 3.5Å; Y528-N556 PolarHBondContact O-ND2 2.68Å; N556-W558 HydrophobicContact CB-CD2 3.8Å; N556-W558 HydrophobicContact CB-CE3 4.05Å; N556-W558 HydrophobicContact CB-CG 4.43Å; N556-W558 HydrophobicContact CB-CH2 4.07Å; N556-W558 HydrophobicContact CB-CZ2 3.81Å; N556-W558 HydrophobicContact CB-CZ3 4.17Å; N556-W558 VanDerWaalsContact CG-CH2 3.44Å; N556-W558 WeakPolarHBondContact ND2-CZ2 3.36Å; N556-W558 VanDerWaalsContact OD1-CH2 3.31Å; N556-W558 WeakPolarHBondContact OD1-CH2 2.99Å; N556-L559 HydrophobicContact CB-CD1 4.08Å; N556-L559 HydrophobicContact CB-CG 4.14Å | ||
| 557 | P | 74.4 | Confident | 81.7 | Confident | 8 Ų | 8 | 30.1 Ų | 30.1 | 5% | 0.052 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -31.2 | -178.8 | 28.5 | -35.6 | 0 | 0 | 0 | 113.5 | M452 L559 V589 L594 I595 | M452-P557 HydrophobicContact CE-CG 3.63Å; M452-P557 HydrophobicContact SD-CG 4.05Å; P557-L559 PolarHBondContact O-N 2.76Å; P557-L559 VanDerWaalsContact O-N 3.15Å; P557-V589 WeakPolarHBondContact CB-O 3.49Å; P557-V589 WeakPolarHBondContact CG-O 3.36Å; P557-L594 HydrophobicContact CG-CD1 4.31Å; P557-I595 HydrophobicContact CB-CD1 4.32Å; P557-I595 HydrophobicContact CB-CG1 4.07Å |
| 558 | W | 67.6 | Low | 81.4 | Confident | 59 Ų | 59 | 31.1 Ų | 31.1 | 22% | 0.223 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -8.1 | -178.9 | 61.3 | 85.7 | 0 | 0 | 0 | 114.6 | H479 F480 N556 S560 L594 | H479-W558 AromaticContact CE1-CZ2 3.97Å; F480-W558 AromaticContact CD1-CH2 3.95Å; F480-W558 HydrophobicContact CD1-CH2 3.95Å; F480-W558 HydrophobicContact CD1-CZ3 4.02Å; F480-W558 AromaticContact CE1-CH2 3.61Å; F480-W558 HydrophobicContact CE1-CH2 3.61Å; F480-W558 AromaticContact CE1-CZ3 3.51Å; F480-W558 HydrophobicContact CE1-CZ3 3.51Å; F480-W558 HydrophobicContact CZ-CZ3 4.49Å; N556-W558 HydrophobicContact CB-CD2 3.8Å; N556-W558 HydrophobicContact CB-CE3 4.05Å; N556-W558 HydrophobicContact CB-CG 4.43Å; N556-W558 HydrophobicContact CB-CH2 4.07Å; N556-W558 HydrophobicContact CB-CZ2 3.81Å; N556-W558 HydrophobicContact CB-CZ3 4.17Å; N556-W558 VanDerWaalsContact CG-CH2 3.44Å; N556-W558 WeakPolarHBondContact ND2-CZ2 3.36Å; N556-W558 VanDerWaalsContact OD1-CH2 3.31Å; N556-W558 WeakPolarHBondContact OD1-CH2 2.99Å; W558-S560 PolarHBondContact O-N 3.09Å; W558-S560 VanDerWaalsContact O-N 3.08Å; W558-L594 HydrophobicContact CB-CD2 4.02Å |
| 559 | L | 72.4 | Confident | 80.7 | Confident | 9 Ų | 9 | 30.9 Ų | 30.9 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -71.4 | 100.1 | 172.4 | -69.6 | 173.5 | 0 | 0 | 0 | 109.5 | A530 T533 L555 N556 P557 W563 R804 | A530-L559 HydrophobicContact CB-CD2 4.08Å; T533-L559 HydrophobicContact CG2-CD1 3.96Å; L555-L559 HydrophobicContact CB-CD1 4.14Å; N556-L559 HydrophobicContact CB-CD1 4.08Å; N556-L559 HydrophobicContact CB-CG 4.14Å; P557-L559 PolarHBondContact O-N 2.76Å; P557-L559 VanDerWaalsContact O-N 3.15Å; L559-W563 HydrophobicContact CB-CB 4.29Å; L559-W563 HydrophobicContact CB-CD2 4.43Å; L559-W563 HydrophobicContact CB-CG 3.88Å; L559-W563 HydrophobicContact CD2-CB 4.37Å; L559-W563 HydrophobicContact CD2-CD2 4.17Å; L559-W563 HydrophobicContact CD2-CE3 4.38Å; L559-W563 HydrophobicContact CD2-CG 4.18Å; L559-R804 VanDerWaalsContact O-CZ 3.26Å; L559-R804 PolarHBondContact O-NH1 3.46Å; L559-R804 PolarHBondContact O-NH2 2.86Å |
| 560 | S | 67.6 | Low | 79.8 | Confident | 36 Ų | 36 | 39.4 Ų | 39.4 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | trans | -56.6 | 165.1 | -176.1 | 64.7 | 0 | 0 | 0 | 0 | 114.5 | W558 Q562 W563 K678 R804 | W558-S560 PolarHBondContact O-N 3.09Å; W558-S560 VanDerWaalsContact O-N 3.08Å; S560-Q562 PolarHBondContact O-N 3.4Å; S560-W563 WeakPolarHBondContact O-CB 3.46Å; S560-W563 PolarHBondContact O-N 3.4Å; S560-K678 WeakPolarHBondContact CB-O 3.49Å; S560-R804 PolarHBondContact O-NH1 2.82Å | ||
| 561 | D | 69.4 | Low | 78.7 | Confident | 61 Ų | 61 | 41 Ų | 41 | 33% | 0.326 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 119.7 | 177.3 | -69.2 | -32.3 | 0 | 0 | 0 | 110.5 | P597 K802 R804 | D561-P597 WeakPolarHBondContact OD2-CB 3.21Å; D561-K802 IonicContact OD1-NZ 3.92Å; D561-K802 PolarHBondContact OD1-NZ 3.17Å; D561-K802 IonicContact OD2-NZ 3.76Å; D561-K802 PolarHBondContact OD2-NZ 3.45Å; D561-R804 IonicContact OD1-NH1 3.9Å |
| 562 | Q | 76.8 | Confident | 77.8 | Confident | 54 Ų | 54 | 46.8 Ų | 46.8 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 27.6 | -168.9 | -42.3 | -152.1 | -95.2 | 0 | 0 | 116.2 | S560 W564 S565 | S560-Q562 PolarHBondContact O-N 3.4Å; Q562-W564 PolarHBondContact O-N 3.14Å; Q562-S565 WeakPolarHBondContact O-CB 3.36Å; Q562-S565 PolarHBondContact O-N 2.97Å; Q562-S565 PolarHBondContact O-OG 2.74Å; Q562-S565 VanDerWaalsContact O-OG 3.12Å |
| 563 | W | 79.4 | Confident | 77.5 | Confident | 24 Ų | 24 | 50 Ų | 50 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -43.4 | -24.5 | 176 | 59.4 | -99.4 | 0 | 0 | 0 | 117.1 | A530 T533 L537 L555 L559 S560 L567 M579 T583 | A530-W563 HydrophobicContact CB-CE3 3.9Å; A530-W563 HydrophobicContact CB-CZ3 4.42Å; A530-W563 WeakPolarHBondContact O-CZ3 3.48Å; T533-W563 HydrophobicContact CG2-CH2 3.59Å; T533-W563 HydrophobicContact CG2-CZ2 3.66Å; T533-W563 HydrophobicContact CG2-CZ3 4.43Å; L537-W563 HydrophobicContact CD1-CH2 4.35Å; L537-W563 HydrophobicContact CD1-CZ2 4Å; L555-W563 HydrophobicContact CD1-CZ2 4.42Å; L559-W563 HydrophobicContact CB-CB 4.29Å; L559-W563 HydrophobicContact CB-CD2 4.43Å; L559-W563 HydrophobicContact CB-CG 3.88Å; L559-W563 HydrophobicContact CD2-CB 4.37Å; L559-W563 HydrophobicContact CD2-CD2 4.17Å; L559-W563 HydrophobicContact CD2-CE3 4.38Å; L559-W563 HydrophobicContact CD2-CG 4.18Å; S560-W563 WeakPolarHBondContact O-CB 3.46Å; S560-W563 PolarHBondContact O-N 3.4Å; W563-L567 HydrophobicContact CZ3-CD1 4.34Å; W563-M579 HydrophobicContact CH2-CE 3.96Å; W563-M579 HydrophobicContact CZ2-CE 4.38Å; W563-T583 HydrophobicContact CZ2-CG2 3.67Å |
| 564 | W | 83.2 | Confident | 77.3 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -6.4 | -178.5 | 47.4 | -95.7 | 0 | 0 | 0 | 114.6 | Y534 Q562 E566 L567 V568 F576 M579 L580 T583 | Y534-W564 HydrophobicContact CD2-CB 4.44Å; Q562-W564 PolarHBondContact O-N 3.14Å; W564-E566 VanDerWaalsContact C-N 3.27Å; W564-E566 PolarHBondContact O-N 3.11Å; W564-L567 WeakPolarHBondContact O-CB 3.41Å; W564-L567 PolarHBondContact O-N 3.08Å; W564-V568 HydrophobicContact CE3-CG2 3.7Å; W564-V568 HydrophobicContact CZ3-CG2 4.16Å; W564-V568 PolarHBondContact O-N 3.06Å; W564-F576 HydrophobicContact CH2-CD1 4.05Å; W564-F576 HydrophobicContact CH2-CD2 4.03Å; W564-F576 AromaticContact CH2-CE1 3.91Å; W564-F576 HydrophobicContact CH2-CE1 3.91Å; W564-F576 AromaticContact CH2-CE2 3.88Å; W564-F576 HydrophobicContact CH2-CE2 3.88Å; W564-F576 HydrophobicContact CH2-CG 4.1Å; W564-F576 AromaticContact CH2-CZ 3.82Å; W564-F576 HydrophobicContact CH2-CZ 3.82Å; W564-F576 WeakPolarHBondContact CH2-O 3.44Å; W564-F576 HydrophobicContact CZ3-CB 4.44Å; W564-F576 HydrophobicContact CZ3-CD1 4.24Å; W564-F576 AromaticContact CZ3-CD2 3.49Å; W564-F576 HydrophobicContact CZ3-CD2 3.49Å; W564-F576 VanDerWaalsContact CZ3-CD2 3.49Å; W564-F576 HydrophobicContact CZ3-CE1 4.36Å; W564-F576 AromaticContact CZ3-CE2 3.62Å; W564-F576 HydrophobicContact CZ3-CE2 3.62Å; W564-F576 AromaticContact CZ3-CG 3.81Å; W564-F576 HydrophobicContact CZ3-CG 3.81Å; W564-F576 HydrophobicContact CZ3-CZ 4.06Å; W564-M579 HydrophobicContact CB-CE 3.8Å; W564-M579 HydrophobicContact CD2-CB 3.5Å; W564-M579 VanDerWaalsContact CD2-CB 3.5Å; W564-M579 HydrophobicContact CD2-CE 4.48Å; W564-M579 HydrophobicContact CD2-CG 4.34Å; W564-M579 HydrophobicContact CE3-CB 3.4Å; W564-M579 VanDerWaalsContact CE3-CB 3.4Å; W564-M579 HydrophobicContact CE3-CG 4.18Å; W564-M579 HydrophobicContact CG-CB 4.04Å; W564-M579 HydrophobicContact CG-CE 3.84Å; W564-M579 HydrophobicContact CH2-CB 4.03Å; W564-M579 HydrophobicContact CZ2-CB 4.13Å; W564-M579 HydrophobicContact CZ3-CB 3.67Å; W564-L580 HydrophobicContact CH2-CB 3.94Å; W564-L580 HydrophobicContact CH2-CD1 4.4Å; W564-L580 HydrophobicContact CZ2-CB 4.05Å; W564-L580 HydrophobicContact CZ2-CD1 4.11Å; W564-T583 VanDerWaalsContact CD1-CG2 3.44Å; W564-T583 HydrophobicContact CG-CG2 4.48Å; W564-T583 PolarHBondContact NE1-OG1 3.2Å |
| 565 | S | 81.9 | Confident | 77.1 | Confident | 50 Ų | 50 | 53 Ų | 53 | 35% | 0.35 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -32.8 | -167.6 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | Q562 | Q562-S565 WeakPolarHBondContact O-CB 3.36Å; Q562-S565 PolarHBondContact O-N 2.97Å; Q562-S565 PolarHBondContact O-OG 2.74Å; Q562-S565 VanDerWaalsContact O-OG 3.12Å |
| 566 | E | 77.7 | Confident | 77 | Confident | 131 Ų | 131 | 57.1 Ų | 57.1 | 61% | 0.612 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -27.7 | 175.6 | -59.2 | -165.6 | 170.7 | 0 | 0 | 113.2 | W564 G569 | W564-E566 VanDerWaalsContact C-N 3.27Å; W564-E566 PolarHBondContact O-N 3.11Å; E566-G569 PolarHBondContact O-N 3.08Å |
| 567 | L | 81.2 | Confident | 77.3 | Confident | 30 Ų | 30 | 61.1 Ų | 61.1 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -37 | -178 | -64 | 174.2 | 0 | 0 | 0 | 111.8 | A530 R531 Y534 W563 W564 G569 R570 N571 | A530-L567 HydrophobicContact CB-CD1 3.98Å; A530-L567 VanDerWaalsContact O-CD1 3.26Å; A530-L567 WeakPolarHBondContact O-CD1 3.44Å; R531-L567 HydrophobicContact CB-CD1 4.48Å; R531-L567 HydrophobicContact CB-CD2 4.35Å; Y534-L567 HydrophobicContact CD2-CB 4.09Å; Y534-L567 HydrophobicContact CE2-CB 4.45Å; Y534-L567 HydrophobicContact CG-CB 4.29Å; Y534-L567 HydrophobicContact CG-CD1 4.3Å; W563-L567 HydrophobicContact CZ3-CD1 4.34Å; W564-L567 WeakPolarHBondContact O-CB 3.41Å; W564-L567 PolarHBondContact O-N 3.08Å; L567-G569 PolarHBondContact O-N 3.29Å; L567-R570 PolarHBondContact O-N 2.81Å; L567-N571 PolarHBondContact O-N 3.14Å |
| 568 | V | 81.1 | Confident | 78 | Confident | 33 Ų | 33 | 62.8 Ų | 62.8 | 20% | 0.2 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.3 | 171.3 | 173 | 0 | 0 | 0 | 0 | 112.2 | Y534 W564 F576 M579 | Y534-V568 HydrophobicContact CE2-CG2 3.89Å; W564-V568 HydrophobicContact CE3-CG2 3.7Å; W564-V568 HydrophobicContact CZ3-CG2 4.16Å; W564-V568 PolarHBondContact O-N 3.06Å; V568-F576 HydrophobicContact CG1-CB 4.16Å; V568-M579 HydrophobicContact CG2-CB 4.13Å; V568-M579 HydrophobicContact CG2-CG 3.67Å |
| 569 | G | 69 | Low | 79.1 | Confident | 71 Ų | 71 | 60 Ų | 60 | 73% | 0.732 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E566 L567 | E566-G569 PolarHBondContact O-N 3.08Å; L567-G569 PolarHBondContact O-N 3.29Å |
| 570 | R | 67.4 | Low | 79.7 | Confident | 214 Ų | 214 | 63.6 Ų | 63.6 | 81% | 0.808 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | -31.9 | -178.5 | -66.1 | -169.6 | -177.2 | -161.1 | 4.9 | 114 | L567 | L567-R570 PolarHBondContact O-N 2.81Š|
| 571 | N | 64.8 | Low | 80.5 | Confident | 44 Ų | 44 | 65 Ų | 65 | 24% | 0.235 | 35% | 0.349 | C | S | . | . | trans | -107 | 136.1 | -177.9 | -59.8 | -17.2 | 0 | 0 | 0 | 109.4 | Y534 L567 E573 | Y534-N571 HydrophobicContact CD1-CB 4.45Å; Y534-N571 WeakPolarHBondContact CD1-ND2 3.48Å; Y534-N571 HydrophobicContact CE1-CB 3.52Å; Y534-N571 VanDerWaalsContact CE1-ND2 3.35Å; Y534-N571 WeakPolarHBondContact CE1-ND2 3.48Å; Y534-N571 PolarHBondContact OH-O 2.94Å; L567-N571 PolarHBondContact O-N 3.14Å; N571-E573 VanDerWaalsContact C-N 3.3Å; N571-E573 PolarHBondContact O-N 2.94Å | ||
| 572 | T | 70.6 | Confident | 81.3 | Confident | 134 Ų | 134 | 62.3 Ų | 62.3 | 82% | 0.822 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -78.1 | -11.7 | -179.3 | 34.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 573 | E | 86.8 | Confident | 81.5 | Confident | 67 Ų | 67 | 60.4 Ų | 60.4 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -76.9 | -36.4 | -152 | -41.6 | -57.8 | -120.1 | 0 | 0 | 113.2 | Y506 Y534 C538 H542 N571 | Y506-E573 HydrophobicContact CD1-CG 4.49Å; Y506-E573 HydrophobicContact CD2-CB 3.88Å; Y506-E573 HydrophobicContact CD2-CG 4.16Å; Y506-E573 HydrophobicContact CE2-CB 4.1Å; Y506-E573 HydrophobicContact CG-CB 4.15Å; Y506-E573 HydrophobicContact CG-CG 3.99Å; Y534-E573 HydrophobicContact CE1-CB 4.37Å; C538-E573 PolarHBondContact SG-O 3.19Å; C538-E573 VanDerWaalsContact SG-O 3.35Å; H542-E573 PolarHBondContact CE1-O 3.12Å; H542-E573 VanDerWaalsContact CE1-O 3.22Å; N571-E573 VanDerWaalsContact C-N 3.3Å; N571-E573 PolarHBondContact O-N 2.94Å |
| 574 | C | 88.9 | Confident | 81.4 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.014 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -135.9 | 136.4 | 170.5 | -76.4 | 0 | 0 | 0 | 0 | 110.8 | Y534 C538 E578 M579 | Y534-C574 HydrophobicContact CE2-CB 4.48Å; Y534-C574 PolarHBondContact OH-N 2.93Å; Y534-C574 PolarHBondContact OH-O 2.93Å; C538-C574 WeakPolarHBondContact CA-SG 3.4Å; C538-C574 HydrophobicContact CB-CB 3.85Å; C538-C574 WeakPolarHBondContact CB-SG 3.47Å; C538-C574 WeakPolarHBondContact SG-CB 3.26Å; C538-C574 PolarHBondContact SG-N 2.88Å; C538-C574 VanDerWaalsContact SG-N 3.41Å; C538-C574 CovalentContact SG-SG 2.03Å; C538-C574 PolarHBondContact SG-SG 3.46Å; C574-E578 WeakPolarHBondContact CA-OE2 3.43Å; C574-E578 HydrophobicContact CB-CB 4.18Å; C574-M579 HydrophobicContact CB-CG 3.99Å; C574-M579 HydrophobicContact CB-SD 3.97Å |
| 575 | N | 88.9 | Confident | 81.1 | Confident | 75 Ų | 75 | 62.2 Ų | 62.2 | 40% | 0.401 | 34% | 0.337 | S | S | . | . | trans | -81.7 | 174.3 | 179.4 | 77.1 | 60 | 0 | 0 | 0 | 112.8 | S577 E578 M579 | N575-S577 VanDerWaalsContact C-N 3.32Å; N575-S577 PolarHBondContact O-N 3.34Å; N575-S577 WeakPolarHBondContact OD1-CA 3.48Å; N575-S577 VanDerWaalsContact OD1-CB 3.32Å; N575-S577 WeakPolarHBondContact OD1-CB 3Å; N575-S577 PolarHBondContact OD1-N 2.95Å; N575-E578 VanDerWaalsContact CG-OE2 3.27Å; N575-E578 PolarHBondContact N-OE2 3.11Å; N575-E578 PolarHBondContact ND2-OE1 2.81Å; N575-E578 PolarHBondContact ND2-OE2 2.96Å; N575-E578 PolarHBondContact O-N 3.21Å; N575-E578 PolarHBondContact OD1-N 3.36Å; N575-E578 VanDerWaalsContact OD1-N 3.15Å; N575-M579 PolarHBondContact O-N 3.42Å | ||
| 576 | F | 87.1 | Confident | 81.4 | Confident | 96 Ų | 96 | 59.9 Ų | 59.9 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -35.9 | -175.3 | -168.7 | -79.8 | 0 | 0 | 0 | 113.1 | W564 V568 L580 | W564-F576 HydrophobicContact CH2-CD1 4.05Å; W564-F576 HydrophobicContact CH2-CD2 4.03Å; W564-F576 AromaticContact CH2-CE1 3.91Å; W564-F576 HydrophobicContact CH2-CE1 3.91Å; W564-F576 AromaticContact CH2-CE2 3.88Å; W564-F576 HydrophobicContact CH2-CE2 3.88Å; W564-F576 HydrophobicContact CH2-CG 4.1Å; W564-F576 AromaticContact CH2-CZ 3.82Å; W564-F576 HydrophobicContact CH2-CZ 3.82Å; W564-F576 WeakPolarHBondContact CH2-O 3.44Å; W564-F576 HydrophobicContact CZ3-CB 4.44Å; W564-F576 HydrophobicContact CZ3-CD1 4.24Å; W564-F576 AromaticContact CZ3-CD2 3.49Å; W564-F576 HydrophobicContact CZ3-CD2 3.49Å; W564-F576 VanDerWaalsContact CZ3-CD2 3.49Å; W564-F576 HydrophobicContact CZ3-CE1 4.36Å; W564-F576 AromaticContact CZ3-CE2 3.62Å; W564-F576 HydrophobicContact CZ3-CE2 3.62Å; W564-F576 AromaticContact CZ3-CG 3.81Å; W564-F576 HydrophobicContact CZ3-CG 3.81Å; W564-F576 HydrophobicContact CZ3-CZ 4.06Å; V568-F576 HydrophobicContact CG1-CB 4.16Å; F576-L580 VanDerWaalsContact O-CB 3.25Å; F576-L580 WeakPolarHBondContact O-CB 3.44Å; F576-L580 PolarHBondContact O-N 3.44Å |
| 577 | S | 87.1 | Confident | 81.9 | Confident | 84 Ų | 84 | 53.7 Ų | 53.7 | 59% | 0.587 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -72.4 | -36.1 | 178.5 | -165.7 | 0 | 0 | 0 | 0 | 111.6 | N575 N581 | N575-S577 VanDerWaalsContact C-N 3.32Å; N575-S577 PolarHBondContact O-N 3.34Å; N575-S577 WeakPolarHBondContact OD1-CA 3.48Å; N575-S577 VanDerWaalsContact OD1-CB 3.32Å; N575-S577 WeakPolarHBondContact OD1-CB 3Å; N575-S577 PolarHBondContact OD1-N 2.95Å; S577-N581 WeakPolarHBondContact O-CB 3.27Å; S577-N581 PolarHBondContact O-N 3.29Å |
| 578 | E | 90.1 | Very high | 82.1 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 20% | 0.201 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.4 | -51.3 | 176.2 | -69 | 159.8 | 175.8 | 0 | 0 | 110.1 | Y541 C574 N575 L580 N581 I582 | Y541-E578 HydrophobicContact CD1-CB 4.39Å; Y541-E578 HydrophobicContact CD1-CG 4.39Å; Y541-E578 HydrophobicContact CE1-CB 4.01Å; Y541-E578 HydrophobicContact CE1-CG 3.64Å; C574-E578 WeakPolarHBondContact CA-OE2 3.43Å; C574-E578 HydrophobicContact CB-CB 4.18Å; N575-E578 VanDerWaalsContact CG-OE2 3.27Å; N575-E578 PolarHBondContact N-OE2 3.11Å; N575-E578 PolarHBondContact ND2-OE1 2.81Å; N575-E578 PolarHBondContact ND2-OE2 2.96Å; N575-E578 PolarHBondContact O-N 3.21Å; N575-E578 PolarHBondContact OD1-N 3.36Å; N575-E578 VanDerWaalsContact OD1-N 3.15Å; E578-L580 VanDerWaalsContact C-N 3.27Å; E578-L580 PolarHBondContact O-N 3.17Å; E578-N581 WeakPolarHBondContact O-CB 3.34Å; E578-N581 PolarHBondContact O-N 3.39Å; E578-I582 HydrophobicContact CB-CD1 4.42Å; E578-I582 WeakPolarHBondContact O-CB 3.37Å; E578-I582 WeakPolarHBondContact O-CD1 3.28Å; E578-I582 WeakPolarHBondContact O-CG1 3.32Å; E578-I582 PolarHBondContact O-N 3.14Å |
| 579 | M | 88.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -30.2 | 177.5 | -72.1 | -55 | -54.7 | 0 | 0 | 113.7 | Y534 W563 W564 V568 C574 N575 I582 T583 | Y534-M579 HydrophobicContact CD2-CE 3.9Å; Y534-M579 HydrophobicContact CD2-CG 4.08Å; Y534-M579 HydrophobicContact CD2-SD 3.7Å; Y534-M579 HydrophobicContact CE2-CG 3.76Å; Y534-M579 HydrophobicContact CE2-SD 3.79Å; W563-M579 HydrophobicContact CH2-CE 3.96Å; W563-M579 HydrophobicContact CZ2-CE 4.38Å; W564-M579 HydrophobicContact CB-CE 3.8Å; W564-M579 HydrophobicContact CD2-CB 3.5Å; W564-M579 VanDerWaalsContact CD2-CB 3.5Å; W564-M579 HydrophobicContact CD2-CE 4.48Å; W564-M579 HydrophobicContact CD2-CG 4.34Å; W564-M579 HydrophobicContact CE3-CB 3.4Å; W564-M579 VanDerWaalsContact CE3-CB 3.4Å; W564-M579 HydrophobicContact CE3-CG 4.18Å; W564-M579 HydrophobicContact CG-CB 4.04Å; W564-M579 HydrophobicContact CG-CE 3.84Å; W564-M579 HydrophobicContact CH2-CB 4.03Å; W564-M579 HydrophobicContact CZ2-CB 4.13Å; W564-M579 HydrophobicContact CZ3-CB 3.67Å; V568-M579 HydrophobicContact CG2-CB 4.13Å; V568-M579 HydrophobicContact CG2-CG 3.67Å; C574-M579 HydrophobicContact CB-CG 3.99Å; C574-M579 HydrophobicContact CB-SD 3.97Å; N575-M579 PolarHBondContact O-N 3.42Å; M579-I582 HydrophobicContact CE-CG2 4.27Å; M579-I582 HydrophobicContact SD-CD1 3.68Å; M579-T583 HydrophobicContact CE-CG2 4.02Å; M579-T583 WeakPolarHBondContact O-CB 2.97Å; M579-T583 PolarHBondContact O-N 3.47Å; M579-T583 PolarHBondContact O-OG1 2.96Å |
| 580 | L | 85 | Confident | 82.3 | Confident | 86 Ų | 86 | 47.8 Ų | 47.8 | 45% | 0.45 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.4 | -43.3 | 171.3 | -172.2 | 67.2 | 0 | 0 | 0 | 111.9 | W564 F576 E578 S584 | W564-L580 HydrophobicContact CH2-CB 3.94Å; W564-L580 HydrophobicContact CH2-CD1 4.4Å; W564-L580 HydrophobicContact CZ2-CB 4.05Å; W564-L580 HydrophobicContact CZ2-CD1 4.11Å; F576-L580 VanDerWaalsContact O-CB 3.25Å; F576-L580 WeakPolarHBondContact O-CB 3.44Å; F576-L580 PolarHBondContact O-N 3.44Å; E578-L580 VanDerWaalsContact C-N 3.27Å; E578-L580 PolarHBondContact O-N 3.17Å; L580-S584 WeakPolarHBondContact O-CB 2.86Å; L580-S584 PolarHBondContact O-N 2.99Å |
| 581 | N | 84.9 | Confident | 82.5 | Confident | 66 Ų | 66 | 37.7 Ų | 37.7 | 35% | 0.353 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.5 | -54.7 | 176.1 | -159.6 | 16.9 | 0 | 0 | 0 | 110.3 | Y541 S577 E578 T583 S584 W585 | Y541-N581 HydrophobicContact CE2-CB 4.33Å; Y541-N581 PolarHBondContact OH-ND2 2.98Å; S577-N581 WeakPolarHBondContact O-CB 3.27Å; S577-N581 PolarHBondContact O-N 3.29Å; E578-N581 WeakPolarHBondContact O-CB 3.34Å; E578-N581 PolarHBondContact O-N 3.39Å; N581-T583 PolarHBondContact O-N 3.37Å; N581-S584 WeakPolarHBondContact O-CB 3.07Å; N581-S584 PolarHBondContact O-N 3.19Å; N581-S584 PolarHBondContact O-OG 3.14Å; N581-W585 HydrophobicContact CB-CZ2 4.23Å; N581-W585 VanDerWaalsContact O-CE2 3.25Å; N581-W585 PolarHBondContact O-NE1 2.83Å; N581-W585 WeakPolarHBondContact OD1-CZ2 3.38Å; N581-W585 PolarHBondContact OD1-NE1 2.81Å |
| 582 | I | 87.3 | Confident | 82.5 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -47.1 | -59.7 | 176.1 | -72 | 166.2 | 0 | 0 | 0 | 112 | L537 Y541 E578 M579 S584 W585 T586 | L537-I582 HydrophobicContact CB-CG2 3.59Å; L537-I582 HydrophobicContact CD1-CG2 4.06Å; L537-I582 HydrophobicContact CG-CG2 4.37Å; Y541-I582 VanDerWaalsContact CB-CD1 3.47Å; Y541-I582 HydrophobicContact CD1-CD1 4.26Å; Y541-I582 HydrophobicContact CD2-CD1 3.92Å; Y541-I582 HydrophobicContact CD2-CG1 3.31Å; Y541-I582 HydrophobicContact CE2-CG1 4.07Å; Y541-I582 HydrophobicContact CG-CD1 3.64Å; Y541-I582 HydrophobicContact CG-CG1 3.59Å; E578-I582 HydrophobicContact CB-CD1 4.42Å; E578-I582 WeakPolarHBondContact O-CB 3.37Å; E578-I582 WeakPolarHBondContact O-CD1 3.28Å; E578-I582 WeakPolarHBondContact O-CG1 3.32Å; E578-I582 PolarHBondContact O-N 3.14Å; M579-I582 HydrophobicContact CE-CG2 4.27Å; M579-I582 HydrophobicContact SD-CD1 3.68Å; I582-S584 PolarHBondContact O-N 2.94Å; I582-W585 HydrophobicContact CG1-CZ3 4.46Å; I582-W585 PolarHBondContact O-N 2.77Å; I582-T586 WeakPolarHBondContact O-CG2 3.36Å |
| 583 | T | 80.7 | Confident | 82.1 | Confident | 13 Ų | 13 | 31.7 Ų | 31.7 | 8% | 0.08 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -75 | -15 | -171.4 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | W563 W564 M579 N581 T586 R804 | W563-T583 HydrophobicContact CZ2-CG2 3.67Å; W564-T583 VanDerWaalsContact CD1-CG2 3.44Å; W564-T583 HydrophobicContact CG-CG2 4.48Å; W564-T583 PolarHBondContact NE1-OG1 3.2Å; M579-T583 HydrophobicContact CE-CG2 4.02Å; M579-T583 WeakPolarHBondContact O-CB 2.97Å; M579-T583 PolarHBondContact O-N 3.47Å; M579-T583 PolarHBondContact O-OG1 2.96Å; N581-T583 PolarHBondContact O-N 3.37Å; T583-T586 PolarHBondContact O-OG1 3.15Å; T583-R804 VanDerWaalsContact O-CB 3.25Å; T583-R804 WeakPolarHBondContact O-CB 3.39Å |
| 584 | S | 75.9 | Confident | 80.8 | Confident | 24 Ų | 24 | 29.5 Ų | 29.5 | 17% | 0.168 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60 | -52.4 | 171.5 | 77.7 | 0 | 0 | 0 | 0 | 110.4 | L580 N581 I582 T586 R804 H805 | L580-S584 WeakPolarHBondContact O-CB 2.86Å; L580-S584 PolarHBondContact O-N 2.99Å; N581-S584 WeakPolarHBondContact O-CB 3.07Å; N581-S584 PolarHBondContact O-N 3.19Å; N581-S584 PolarHBondContact O-OG 3.14Å; I582-S584 PolarHBondContact O-N 2.94Å; S584-T586 PolarHBondContact O-N 2.85Å; S584-R804 CarbonylContact O-C 3.58Å; S584-H805 VanDerWaalsContact O-CA 3.24Å; S584-H805 WeakPolarHBondContact O-CA 3.48Å; S584-H805 VanDerWaalsContact O-CB 3.23Å; S584-H805 WeakPolarHBondContact O-CB 3.34Å; S584-H805 PolarHBondContact O-N 3.02Å; S584-H805 PolarHBondContact OG-CD2 3.26Å |
| 585 | W | 77.4 | Confident | 79.2 | Confident | 39 Ų | 39 | 29.8 Ų | 29.8 | 15% | 0.148 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 20.1 | -171.8 | -17.1 | -72.6 | 0 | 0 | 0 | 115.9 | Y541 Y546 F547 N581 I582 H805 | Y541-W585 AromaticContact CD2-CH2 3.57Å; Y541-W585 HydrophobicContact CD2-CH2 3.57Å; Y541-W585 HydrophobicContact CD2-CZ3 4.02Å; Y541-W585 AromaticContact CE2-CH2 3.59Å; Y541-W585 HydrophobicContact CE2-CH2 3.59Å; Y541-W585 HydrophobicContact CE2-CZ2 4.31Å; Y541-W585 HydrophobicContact CE2-CZ3 4.46Å; Y546-W585 HydrophobicContact CD1-CH2 4.47Å; Y546-W585 HydrophobicContact CG-CH2 4.09Å; Y546-W585 HydrophobicContact CG-CZ3 4.43Å; F547-W585 HydrophobicContact CB-CB 3.38Å; F547-W585 HydrophobicContact CB-CD2 4.33Å; F547-W585 HydrophobicContact CB-CG 3.83Å; F547-W585 HydrophobicContact CG-CB 3.98Å; N581-W585 HydrophobicContact CB-CZ2 4.23Å; N581-W585 VanDerWaalsContact O-CE2 3.25Å; N581-W585 PolarHBondContact O-NE1 2.83Å; N581-W585 WeakPolarHBondContact OD1-CZ2 3.38Å; N581-W585 PolarHBondContact OD1-NE1 2.81Å; I582-W585 HydrophobicContact CG1-CZ3 4.46Å; I582-W585 PolarHBondContact O-N 2.77Å; W585-H805 AromaticContact CD1-CD2 3.99Å |
| 586 | T | 88.6 | Confident | 77.3 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 154 | -175.2 | 64.8 | 0 | 0 | 0 | 0 | 112.9 | L537 W553 L555 I582 T583 S584 R804 | L537-T586 HydrophobicContact CD1-CG2 4.43Å; W553-T586 HydrophobicContact CB-CG2 4.17Å; L555-T586 HydrophobicContact CD1-CG2 3.99Å; L555-T586 HydrophobicContact CG-CG2 4.33Å; I582-T586 WeakPolarHBondContact O-CG2 3.36Å; T583-T586 PolarHBondContact O-OG1 3.15Å; S584-T586 PolarHBondContact O-N 2.85Å; T586-R804 PolarHBondContact O-N 3.23Å; T586-R804 WeakPolarHBondContact OG1-CD 3.44Å |
| 587 | F | 89.2 | Confident | 74.9 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 149.6 | -179.4 | -66.9 | -95 | 0 | 0 | 0 | 111.3 | F547 V552 W553 F554 L555 L801 K802 Q803 V875 W877 | F547-F587 HydrophobicContact CD2-CE2 4.4Å; F547-F587 AromaticContact CE2-CE2 3.89Å; F547-F587 HydrophobicContact CE2-CE2 3.89Å; F547-F587 HydrophobicContact CE2-CZ 4.21Å; V552-F587 HydrophobicContact CG1-CD2 3.75Å; V552-F587 HydrophobicContact CG1-CE2 3.81Å; W553-F587 PolarHBondContact O-N 2.82Å; F554-F587 CarbonylContact C-O 3.53Å; F554-F587 WeakPolarHBondContact CA-O 3.4Å; F554-F587 HydrophobicContact CD1-CB 3.66Å; F554-F587 HydrophobicContact CE1-CB 3.58Å; F554-F587 HydrophobicContact CE1-CG 4.13Å; F554-F587 HydrophobicContact CG-CB 4.4Å; F554-F587 HydrophobicContact CZ-CB 4.27Å; F554-F587 HydrophobicContact CZ-CG 4.42Å; L555-F587 PolarHBondContact N-O 2.8Å; F587-L801 HydrophobicContact CB-CD1 4.35Å; F587-L801 HydrophobicContact CD1-CD1 4.15Å; F587-K802 CarbonylContact C-O 3.57Å; F587-K802 VanDerWaalsContact CA-O 3.31Å; F587-K802 WeakPolarHBondContact CA-O 3.48Å; F587-Q803 HydrophobicContact CD1-CB 4.04Å; F587-Q803 HydrophobicContact CD1-CG 4.17Å; F587-Q803 HydrophobicContact CE1-CB 3.8Å; F587-Q803 HydrophobicContact CE1-CG 3.6Å; F587-Q803 HydrophobicContact CZ-CG 3.86Å; F587-V875 HydrophobicContact CE1-CG1 3.91Å; F587-V875 HydrophobicContact CZ-CG1 4.3Å; F587-W877 HydrophobicContact CZ-CZ3 4.35Å |
| 588 | T | 85.6 | Confident | 72.3 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 149.7 | 168.1 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | L555 L801 K802 | L555-T588 HydrophobicContact CB-CG2 4.09Å; L555-T588 WeakPolarHBondContact O-CG2 3.36Å; T588-L801 CarbonylContact O-C 3.56Å; T588-L801 WeakPolarHBondContact O-CA 3.29Å; T588-K802 PolarHBondContact N-O 3.33Å; T588-K802 PolarHBondContact O-N 3.11Å |
| 589 | V | 81.9 | Confident | 69.6 | Low | 7 Ų | 7 | 25.8 Ų | 25.8 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.3 | 175.5 | 173.6 | 0 | 0 | 0 | 0 | 109.2 | A455 I458 L459 L462 P557 W799 L800 L801 | A455-V589 HydrophobicContact CB-CG1 3.98Å; I458-V589 HydrophobicContact CB-CG1 4.06Å; I458-V589 HydrophobicContact CD1-CG1 4.19Å; I458-V589 HydrophobicContact CG2-CG1 3.66Å; I458-V589 HydrophobicContact CG2-CG2 4.39Å; L459-V589 HydrophobicContact CD2-CB 4.5Å; L459-V589 HydrophobicContact CD2-CG2 3.8Å; L459-V589 HydrophobicContact CG-CG2 4.29Å; L462-V589 HydrophobicContact CD1-CG2 4.16Å; P557-V589 WeakPolarHBondContact CB-O 3.49Å; P557-V589 WeakPolarHBondContact CG-O 3.36Å; V589-W799 HydrophobicContact CG1-CE3 4.29Å; V589-L800 WeakPolarHBondContact CA-O 3.5Å; V589-L801 HydrophobicContact CG2-CD1 3.68Å |
| 590 | G | 72 | Confident | 66.8 | Low | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.6 | 168.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112 | I595 L800 | G590-I595 VanDerWaalsContact N-CD1 3.26Å; G590-L800 PolarHBondContact N-O 3.25Å; G590-L800 VanDerWaalsContact N-O 3.16Å; G590-L800 PolarHBondContact O-N 3.11Å |
| 591 | H | 71.5 | Confident | 64.1 | Low | 3 Ų | 3 | 26.1 Ų | 26.1 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 165.4 | 177.6 | 60.8 | 52.2 | 0 | 0 | 0 | 112.6 | L593 L594 I595 Y687 A796 W799 | H591-L593 VanDerWaalsContact C-N 3.26Å; H591-L593 PolarHBondContact ND1-N 3.4Å; H591-L593 PolarHBondContact O-N 3.08Å; H591-L594 VanDerWaalsContact CE1-CG 3.41Å; H591-L594 WeakPolarHBondContact CE1-CG 3.48Å; H591-L594 PolarHBondContact CE1-N 2.84Å; H591-L594 PolarHBondContact ND1-N 2.83Å; H591-L594 WeakPolarHBondContact NE2-CD1 3.37Å; H591-L594 PolarHBondContact O-N 3.37Å; H591-I595 PolarHBondContact O-N 2.86Å; H591-Y687 AromaticContact CE1-CZ 3.96Å; H591-Y687 PolarHBondContact CE1-OH 3.32Å; H591-Y687 PolarHBondContact ND1-OH 3.01Å; H591-Y687 PolarHBondContact NE2-OH 3Å; H591-A796 HydrophobicContact CB-CB 3.98Å; H591-W799 HydrophobicContact CB-CD2 4.34Å; H591-W799 HydrophobicContact CB-CE3 4.49Å |
| 592 | Q | 63.7 | Low | 61.5 | Low | 37 Ų | 37 | 30.6 Ų | 30.6 | 17% | 0.173 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -47.6 | -36.8 | -172.6 | 68 | -173.7 | -4.3 | 0 | 0 | 116.7 | G596 Y798 L800 | Q592-G596 PolarHBondContact O-N 2.98Å; Q592-Y798 PolarHBondContact N-O 3.02Å; Q592-L800 HydrophobicContact CB-CD1 4.48Å |
| 593 | L | 62.1 | Low | 58.8 | Low | 14 Ų | 14 | 32.7 Ų | 32.7 | 7% | 0.073 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.6 | -56.2 | 178.7 | -74.2 | 162.4 | 0 | 0 | 0 | 112.1 | H591 I595 G596 V686 Y687 F766 | H591-L593 VanDerWaalsContact C-N 3.26Å; H591-L593 PolarHBondContact ND1-N 3.4Å; H591-L593 PolarHBondContact O-N 3.08Å; L593-I595 PolarHBondContact O-N 2.86Å; L593-I595 VanDerWaalsContact O-N 3.08Å; L593-G596 PolarHBondContact O-N 3.21Å; L593-V686 HydrophobicContact CD1-CG1 4.34Å; L593-V686 HydrophobicContact CD2-CG2 4.43Å; L593-Y687 HydrophobicContact CD1-CE1 3.66Å; L593-Y687 HydrophobicContact CD1-CE2 4.43Å; L593-Y687 VanDerWaalsContact CD1-OH 3.26Å; L593-Y687 WeakPolarHBondContact CD1-OH 3.42Å; L593-F766 HydrophobicContact CD2-CZ 4.29Å |
| 594 | L | 60.5 | Low | 56.2 | Low | 21 Ų | 21 | 35 Ų | 35 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.9 | -23.6 | 179.5 | -91.4 | 172.5 | 0 | 0 | 0 | 115.9 | M452 P557 W558 H591 D683 | M452-L594 HydrophobicContact SD-CD1 3.75Å; P557-L594 HydrophobicContact CG-CD1 4.31Å; W558-L594 HydrophobicContact CB-CD2 4.02Å; H591-L594 VanDerWaalsContact CE1-CG 3.41Å; H591-L594 WeakPolarHBondContact CE1-CG 3.48Å; H591-L594 PolarHBondContact CE1-N 2.84Å; H591-L594 PolarHBondContact ND1-N 2.83Å; H591-L594 WeakPolarHBondContact NE2-CD1 3.37Å; H591-L594 PolarHBondContact O-N 3.37Å; L594-D683 WeakPolarHBondContact CA-OD2 3.23Å |
| 595 | I | 55.4 | Low | 53.8 | Low | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -106.2 | -18.9 | -174.2 | -82.5 | -173.9 | 0 | 0 | 0 | 113.5 | P557 G590 H591 L593 P597 L800 K802 T809 | P557-I595 HydrophobicContact CB-CD1 4.32Å; P557-I595 HydrophobicContact CB-CG1 4.07Å; G590-I595 VanDerWaalsContact N-CD1 3.26Å; H591-I595 PolarHBondContact O-N 2.86Å; L593-I595 PolarHBondContact O-N 2.86Å; L593-I595 VanDerWaalsContact O-N 3.08Å; I595-P597 VanDerWaalsContact O-CD 3.29Å; I595-P597 WeakPolarHBondContact O-CD 3.4Å; I595-L800 HydrophobicContact CB-CB 4.42Å; I595-L800 HydrophobicContact CB-CD1 4.1Å; I595-L800 HydrophobicContact CD1-CB 4.21Å; I595-L800 WeakPolarHBondContact CD1-O 3.41Å; I595-L800 HydrophobicContact CG2-CB 3.9Å; I595-L800 HydrophobicContact CG2-CD1 3.59Å; I595-L800 HydrophobicContact CG2-CG 4.4Å; I595-K802 HydrophobicContact CD1-CB 4.36Å; I595-K802 HydrophobicContact CG2-CB 4.02Å; I595-K802 HydrophobicContact CG2-CD 4.26Å; I595-T809 HydrophobicContact CG2-CG2 3.5Å |
| 596 | G | 47.9 | Very low | 51.5 | Low | 14 Ų | 14 | 44.9 Ų | 44.9 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | trans | -88.3 | 104.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q592 L593 M598 Y773 | Q592-G596 PolarHBondContact O-N 2.98Å; L593-G596 PolarHBondContact O-N 3.21Å; G596-M598 VanDerWaalsContact C-N 3.32Å; G596-M598 PolarHBondContact O-N 3.01Å; G596-Y773 VanDerWaalsContact CA-OH 3.28Å; G596-Y773 WeakPolarHBondContact CA-OH 3Å | ||
| 597 | P | 36.6 | Very low | 48.7 | Very low | 38 Ų | 38 | 48.8 Ų | 48.8 | 25% | 0.247 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 43.8 | -164.3 | 38 | -36.3 | 0 | 0 | 0 | 114.1 | D561 I595 K678 | D561-P597 WeakPolarHBondContact OD2-CB 3.21Å; I595-P597 VanDerWaalsContact O-CD 3.29Å; I595-P597 WeakPolarHBondContact O-CD 3.4Å; P597-K678 VanDerWaalsContact C-CE 3.45Å; P597-K678 WeakPolarHBondContact O-CE 3.35Å; P597-K678 PolarHBondContact O-NZ 3.18Å |
| 598 | M | 32.3 | Very low | 45.9 | Very low | 138 Ų | 138 | 56.4 Ų | 56.4 | 68% | 0.68 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -161.6 | -9.2 | 172.4 | -123.9 | 161 | -175.4 | 0 | 0 | 119.3 | G596 H600 | G596-M598 VanDerWaalsContact C-N 3.32Å; G596-M598 PolarHBondContact O-N 3.01Å; M598-H600 VanDerWaalsContact C-N 3.34Å; M598-H600 PolarHBondContact O-N 3.28Å; M598-H600 VanDerWaalsContact O-N 3.17Å |
| 599 | V | 33.2 | Very low | 43.1 | Very low | 25 Ų | 25 | 64.3 Ų | 64.3 | 15% | 0.152 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -26.8 | -160.1 | -174.3 | 0 | 0 | 0 | 0 | 115.1 | A769 | V599-A769 HydrophobicContact CG2-CB 4.2Š|
| 600 | H | 30.2 | Very low | 40.6 | Very low | 30 Ų | 30 | 70 Ų | 70 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 30.5 | -169.7 | -71.7 | -69.7 | 0 | 0 | 0 | 115.8 | M598 F602 I603 H682 V686 | M598-H600 VanDerWaalsContact C-N 3.34Å; M598-H600 PolarHBondContact O-N 3.28Å; M598-H600 VanDerWaalsContact O-N 3.17Å; H600-F602 PolarHBondContact O-N 2.99Å; H600-F602 VanDerWaalsContact O-N 3.1Å; H600-I603 HydrophobicContact CB-CD1 3.81Å; H600-I603 HydrophobicContact CB-CG1 3.99Å; H600-I603 WeakPolarHBondContact ND1-CD1 3.19Å; H600-I603 PolarHBondContact O-N 3.07Å; H600-H682 VanDerWaalsContact CB-CD2 3.48Å; H600-H682 WeakPolarHBondContact CB-CD2 3.41Å; H600-H682 VanDerWaalsContact CB-NE2 3.33Å; H600-H682 WeakPolarHBondContact CB-NE2 3.21Å; H600-H682 PolarHBondContact O-NE2 2.68Å; H600-V686 WeakPolarHBondContact NE2-CG2 3.37Å |
| 601 | S | 28.6 | Very low | 38.5 | Very low | 63 Ų | 63 | 77.6 Ų | 77.6 | 44% | 0.441 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -1.3 | 169.8 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 602 | F | 30.9 | Very low | 36.3 | Very low | 160 Ų | 160 | 81.4 Ų | 81.4 | 70% | 0.702 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.2 | 6.5 | -178.9 | -59.1 | -80.8 | 0 | 0 | 0 | 114.1 | H600 | H600-F602 PolarHBondContact O-N 2.99Å; H600-F602 VanDerWaalsContact O-N 3.1Å |
| 603 | I | 29.7 | Very low | 34.6 | Very low | 48 Ų | 48 | 87.9 Ų | 87.9 | 25% | 0.246 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -65.1 | 141.9 | 157 | -69.4 | -176.6 | 0 | 0 | 0 | 107.2 | H600 R605 T685 | H600-I603 HydrophobicContact CB-CD1 3.81Å; H600-I603 HydrophobicContact CB-CG1 3.99Å; H600-I603 WeakPolarHBondContact ND1-CD1 3.19Å; H600-I603 PolarHBondContact O-N 3.07Å; I603-R605 PolarHBondContact O-N 3.25Å; I603-T685 WeakPolarHBondContact CD1-OG1 3.3Å |
| 604 | P | 27.3 | Very low | 32.9 | Very low | 61 Ų | 61 | 91.8 Ų | 91.8 | 40% | 0.396 | 49% | 0.487 | S | S | . | . | trans | -50.9 | 129 | 179.2 | -27.5 | 35.1 | 0 | 0 | 0 | 111.8 | T606 F760 | P604-T606 PolarHBondContact O-N 2.97Å; P604-F760 HydrophobicContact CB-CE1 4.17Å; P604-F760 HydrophobicContact CG-CD1 4.22Å; P604-F760 HydrophobicContact CG-CE1 3.76Å | ||
| 605 | R | 26.2 | Very low | 31.5 | Very low | 194 Ų | 194 | 99.9 Ų | 99.9 | 73% | 0.732 | 52% | 0.521 | S | S | * | . | trans | -72.1 | 103.1 | -178.1 | -67.7 | -172.3 | -167.4 | 162.9 | 6.5 | 110.2 | I603 S607 | I603-R605 PolarHBondContact O-N 3.25Å; R605-S607 PolarHBondContact O-N 3.01Å; R605-S607 VanDerWaalsContact O-N 3.11Å | ||
| 606 | T | 28.8 | Very low | 30.2 | Very low | 77 Ų | 77 | 105.4 Ų | 105.4 | 47% | 0.472 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -60 | -14.6 | 165.5 | 49.9 | 0 | 0 | 0 | 0 | 113 | P604 E608 F609 | P604-T606 PolarHBondContact O-N 2.97Å; T606-E608 PolarHBondContact O-N 2.99Å; T606-F609 PolarHBondContact O-N 3.23Å; T606-F609 VanDerWaalsContact O-N 3.08Å |
| 607 | S | 29.6 | Very low | 29.3 | Very low | 83 Ų | 83 | 107.8 Ų | 107.8 | 58% | 0.58 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -71.8 | 9.1 | -173.4 | 74.3 | 0 | 0 | 0 | 0 | 116.9 | R605 | R605-S607 PolarHBondContact O-N 3.01Å; R605-S607 VanDerWaalsContact O-N 3.11Å |
| 608 | E | 28.9 | Very low | 29 | Very low | 162 Ų | 162 | 113.1 Ų | 113.1 | 76% | 0.757 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -111.8 | -2.9 | 166.7 | -69 | -169.7 | 171.4 | 0 | 0 | 113.1 | T606 | T606-E608 PolarHBondContact O-N 2.99Š|
| 609 | F | 28.2 | Very low | 29 | Very low | 167 Ų | 167 | 113.5 Ų | 113.5 | 73% | 0.732 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -120.4 | 25.5 | 176.6 | -94.1 | -81.9 | 0 | 0 | 0 | 113.5 | T606 | T606-F609 PolarHBondContact O-N 3.23Å; T606-F609 VanDerWaalsContact O-N 3.08Å |
| 610 | M | 29.7 | Very low | 28.8 | Very low | 126 Ų | 126 | 116.6 Ų | 116.6 | 62% | 0.621 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -121 | 6.1 | 173.7 | -61.6 | -166 | 78.8 | 0 | 0 | 113.9 | ||
| 611 | D | 27.2 | Very low | 28.7 | Very low | 160 Ų | 160 | 121.4 Ų | 121.4 | 86% | 0.856 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -133.7 | 33.5 | -173.2 | -144.6 | -0.3 | 0 | 0 | 0 | 112.8 | ||
| 612 | S | 26 | Very low | 29 | Very low | 83 Ų | 83 | 122 Ų | 122 | 58% | 0.58 | 69% | 0.692 | S | S | * | * | trans | -148.5 | 43.9 | -174.8 | 73.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 613 | D | 26.6 | Very low | 28.9 | Very low | 174 Ų | 174 | 120.9 Ų | 120.9 | 93% | 0.93 | 70% | 0.699 | S | S | * | * | trans | -134.4 | 50.5 | 165.4 | -131.4 | -22.5 | 0 | 0 | 0 | 113.1 | ||||
| 614 | S | 27.2 | Very low | 29.1 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -141.4 | 140.9 | 157.7 | 82.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 615 | K | 31.1 | Very low | 29.3 | Very low | 191 Ų | 191 | 126.8 Ų | 126.8 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | trans | 69.9 | 66.5 | 176.1 | -54 | 171 | -171.4 | 163.8 | 0 | 116.3 | ||||
| 616 | S | 28.9 | Very low | 29.5 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | 9.4 | 136.1 | 125.1 | 62.3 | 0 | 0 | 0 | 0 | 119 | |||||
| 617 | G | 27.7 | Very low | 29.6 | Very low | 65 Ų | 65 | 129.6 Ų | 129.6 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | 126.6 | 100 | 123.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 618 | N | 30.1 | Very low | 29.7 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 72.7 | 137.4 | 140.6 | -64.9 | -7.1 | 0 | 0 | 0 | 121.3 | ||||
| 619 | N | 32.1 | Very low | 29.8 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | trans | 75.3 | 143.2 | 148.5 | -61 | -11.3 | 0 | 0 | 0 | 119.4 | ||||
| 620 | S | 29.2 | Very low | 30 | Very low | 90 Ų | 90 | 126.9 Ų | 126.9 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | cis | -178.8 | 154.7 | -28.9 | 46.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 621 | S | 29.6 | Very low | 30 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | 65.8 | 168.2 | 165.8 | 78.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 622 | G | 33.4 | Very low | 30.1 | Very low | 76 Ų | 76 | 123.8 Ų | 123.8 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | trans | 128 | 29.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 623 | T | 28.8 | Very low | 30.3 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | trans | -77.5 | 173.7 | 167.5 | 49.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 624 | P | 35.2 | Very low | 30.5 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | cis | -131.9 | -173.4 | -49.3 | 39.1 | -25.1 | 0 | 0 | 0 | 110.7 | ||||
| 625 | N | 30.7 | Very low | 30.7 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | 177.8 | 140.9 | 132.3 | -101.6 | -53.8 | 0 | 0 | 0 | 113.8 | ||||
| 626 | R | 30 | Very low | 30.6 | Very low | 213 Ų | 213 | 134.9 Ų | 134.9 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | 151 | -161.8 | 136.9 | -57.9 | 179.8 | -163.5 | 166 | 6.2 | 113.8 | ||||
| 627 | T | 31.3 | Very low | 30.7 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | trans | -130.6 | 148.9 | -138.5 | 14 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 628 | S | 30.9 | Very low | 30.8 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | trans | 61.7 | 136.7 | 161.1 | 43.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 629 | S | 32.2 | Very low | 30.7 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | cis | -179.4 | 144.5 | -3.6 | 37.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 630 | E | 31.1 | Very low | 30.6 | Very low | 142 Ų | 142 | 136 Ų | 136 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | cis | -149.9 | 132.8 | 1.6 | -95.3 | -81.3 | 110.3 | 0 | 0 | 106.1 | ||||
| 631 | Q | 30.7 | Very low | 30.5 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 65% | 0.654 | 72% | 0.721 | S | S | * | * | 65.5 | 135.4 | 89.1 | -67.1 | -151.3 | 44.7 | 0 | 0 | 116 | |||||
| 632 | I | 29.7 | Very low | 30.4 | Very low | 80 Ų | 80 | 138.2 Ų | 138.2 | 41% | 0.41 | 71% | 0.705 | S | S | . | * | cis | -163.3 | 139.9 | -2.9 | -126 | -168.3 | 0 | 0 | 0 | 113.2 | Y2 | Y2-I632 WeakPolarHBondContact CE2-O 3.24Š| ||
| 633 | R | 29.3 | Very low | 30.2 | Very low | 201 Ų | 201 | 142.8 Ų | 142.8 | 76% | 0.758 | 71% | 0.706 | S | S | * | * | trans | 56.2 | 172.1 | 152.1 | -60.4 | 170.9 | 162.2 | 148.3 | -9.6 | 118.6 | Y2 | Y2-R633 WeakPolarHBondContact CE2-O 3.25Å; Y2-R633 PolarHBondContact OH-O 2.63Å | ||
| 634 | R | 31 | Very low | 30.1 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 56% | 0.562 | 70% | 0.7 | S | S | * | * | cis | -149.6 | 157.3 | 18.1 | -74.5 | 179.6 | 172.4 | -179 | -5.3 | 110.9 | Y2 | Y2-R634 HydrophobicContact CE1-CG 4.02Å; Y2-R634 WeakPolarHBondContact OH-CB 3.29Å; Y2-R634 WeakPolarHBondContact OH-CG 3.35Å; Y2-R634 PolarHBondContact OH-N 3.37Å | ||
| 635 | R | 30.9 | Very low | 29.7 | Very low | 207 Ų | 207 | 144.8 Ų | 144.8 | 78% | 0.781 | 71% | 0.71 | S | S | * | * | trans | 60.6 | 114.7 | 152.6 | -73 | 169.5 | -176.9 | -176.4 | -3.3 | 115.6 | ||||
| 636 | R | 28.7 | Very low | 29.6 | Very low | 220 Ų | 220 | 146.9 Ų | 146.9 | 83% | 0.83 | 72% | 0.715 | S | S | * | * | cis | 44 | 104.9 | 44.6 | -65 | -171.3 | -179.4 | 179.3 | -0.5 | 113.3 | ||||
| 637 | H | 32.3 | Very low | 29.6 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | -144.4 | 136 | 100.1 | -93.7 | -90.7 | 0 | 0 | 0 | 107.3 | |||||
| 638 | V | 29.4 | Very low | 29.7 | Very low | 90 Ų | 90 | 142.5 Ų | 142.5 | 55% | 0.545 | 71% | 0.714 | S | S | . | * | cis | 76.5 | 128.3 | 47.5 | 168.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 639 | F | 28.4 | Very low | 29.8 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 75% | 0.75 | 72% | 0.716 | S | S | * | * | cis | -162.4 | 158.7 | -3.5 | -117 | -165.7 | 0 | 0 | 0 | 105.6 | ||||
| 640 | A | 29 | Very low | 29.6 | Very low | 76 Ų | 76 | 145.1 Ų | 145.1 | 63% | 0.628 | 72% | 0.723 | S | S | * | * | 57.5 | 127 | 59.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 641 | Q | 28.4 | Very low | 29.6 | Very low | 183 Ų | 183 | 146.3 Ų | 146.3 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | trans | 169.2 | 146.3 | 150.5 | -99 | 171.7 | -3.6 | 0 | 0 | 108.9 | ||||
| 642 | S | 27.4 | Very low | 29.6 | Very low | 83 Ų | 83 | 144 Ų | 144 | 58% | 0.58 | 73% | 0.732 | S | S | * | * | cis | -178.7 | -179.6 | -25.1 | 44.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 643 | Q | 29.4 | Very low | 29.8 | Very low | 172 Ų | 172 | 151.7 Ų | 151.7 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 77.4 | 138.2 | 165.3 | -57.5 | 173.8 | -7.3 | 0 | 0 | 116.1 | ||||
| 644 | T | 27.1 | Very low | 30 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | cis | -158.4 | 141.4 | -24 | 11.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 645 | L | 26.3 | Very low | 30 | Very low | 165 Ų | 165 | 148.5 Ų | 148.5 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -125.7 | 114 | 161.7 | -151.7 | 84.3 | 0 | 0 | 0 | 107.6 | ||||
| 646 | E | 29 | Very low | 30.2 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -91.1 | 137 | 179.5 | -64.4 | -168.3 | 139.9 | 0 | 0 | 110.8 | ||||
| 647 | V | 30.1 | Very low | 30.4 | Very low | 125 Ų | 125 | 142 Ų | 142 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | trans | -132.8 | 113.1 | 172.2 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 648 | P | 32.8 | Very low | 30.7 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 149.3 | 178.4 | -21 | 34.1 | 0 | 0 | 0 | 113.3 | ||
| 649 | P | 32.1 | Very low | 30.8 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 154.1 | -173.2 | 34.4 | -36.5 | 0 | 0 | 0 | 114.7 | ||
| 650 | V | 28.1 | Very low | 31.1 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 89% | 0.885 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -85 | 143.5 | 170.5 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 651 | L | 31.6 | Very low | 31.4 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -139.3 | 139.9 | 175.4 | -142.7 | 153.2 | 0 | 0 | 0 | 112.2 | ||||
| 652 | S | 31.5 | Very low | 31.8 | Very low | 91 Ų | 91 | 140.9 Ų | 140.9 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | -111 | 155 | -161.8 | 60.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 653 | R | 32.3 | Very low | 31.9 | Very low | 242 Ų | 242 | 145.3 Ų | 145.3 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | -151.3 | 118 | 151.2 | -93.3 | 170.3 | -178.9 | -179.8 | -0.1 | 108.1 | ||||
| 654 | T | 33.7 | Very low | 32 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | cis | 95.2 | 145.6 | 36 | 64.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 655 | K | 32.4 | Very low | 32.2 | Very low | 176 Ų | 176 | 144.3 Ų | 144.3 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | 95.2 | 141 | 175.4 | -59.8 | -174.4 | 165.8 | -167.3 | 0 | 115.4 | ||||
| 656 | H | 35.1 | Very low | 32.3 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 65% | 0.653 | 78% | 0.775 | S | S | * | * | cis | -153.6 | 127.4 | -12.1 | -108 | -44.5 | 0 | 0 | 0 | 108.5 | ||||
| 657 | N | 31.3 | Very low | 32.3 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | 87.3 | 147 | 105 | -117 | 54.5 | 0 | 0 | 0 | 116.5 | |||||
| 658 | P | 39 | Very low | 32.2 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | trans | -118.8 | -174.8 | -164.4 | 44.3 | -33.4 | 0 | 0 | 0 | 114.5 | ||||
| 659 | N | 31.9 | Very low | 31.9 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | -154.5 | 148.8 | 139.2 | -137.9 | 23.9 | 0 | 0 | 0 | 112.1 | ||||
| 660 | P | 35.6 | Very low | 31.8 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -108 | 173.4 | 178.9 | 40.9 | -33.3 | 0 | 0 | 0 | 113.6 | ||||
| 661 | N | 34.9 | Very low | 31.7 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -169.9 | 170.2 | 146.9 | -96 | -21.3 | 0 | 0 | 0 | 110.8 | ||||
| 662 | D | 36.2 | Very low | 31.5 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 54.1 | 95.1 | 175.3 | -56.3 | -13.7 | 0 | 0 | 0 | 115.8 | ||||
| 663 | L | 29.2 | Very low | 31.2 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | cis | 70.5 | 99.9 | 19 | -151.4 | 110.7 | 0 | 0 | 0 | 115.2 | ||||
| 664 | G | 31.3 | Very low | 30.9 | Very low | 70 Ų | 70 | 148.5 Ų | 148.5 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -163 | 47.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 665 | K | 32.2 | Very low | 30.7 | Very low | 196 Ų | 196 | 150.5 Ų | 150.5 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | 66.4 | 112.1 | 163.4 | -57.5 | 168.5 | -174.8 | 172.8 | 0 | 115.9 | ||||
| 666 | S | 27.5 | Very low | 30.4 | Very low | 99 Ų | 99 | 148.7 Ų | 148.7 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | 55 | 125.2 | 75.3 | 76.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 667 | I | 29.6 | Very low | 30.1 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | -165.7 | 137.8 | 88.8 | -103.2 | 161.9 | 0 | 0 | 0 | 113.2 | |||||
| 668 | F | 28.1 | Very low | 30.4 | Very low | 184 Ų | 184 | 145 Ų | 145 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | 63.7 | 99.3 | 154.4 | -76.3 | -121.1 | 0 | 0 | 0 | 122 | ||||
| 669 | S | 26.2 | Very low | 30.5 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | 12.7 | 129.4 | 128.3 | 57.5 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 670 | D | 29.3 | Very low | 31 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | -148.7 | 159.8 | 122.6 | -154.8 | -8.4 | 0 | 0 | 0 | 110.9 | S672 | D670-S672 PolarHBondContact O-N 3.31Š| |||
| 671 | H | 26.5 | Very low | 31.7 | Very low | 192 Ų | 192 | 137 Ų | 137 | 89% | 0.889 | 71% | 0.708 | S | S | * | * | trans | -84.5 | 101.1 | -176.3 | -84.6 | -100.5 | 0 | 0 | 0 | 112.4 | ||||
| 672 | S | 27.1 | Very low | 32.5 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | trans | -138.3 | 122.5 | 172.6 | 73.2 | 0 | 0 | 0 | 0 | 115.2 | D670 | D670-S672 PolarHBondContact O-N 3.31Š| ||
| 673 | K | 26.9 | Very low | 33.6 | Very low | 197 Ų | 197 | 127.7 Ų | 127.7 | 86% | 0.857 | 66% | 0.656 | S | S | * | * | trans | 25.9 | 95.5 | 147 | -61.2 | 173.7 | -178 | 174.2 | 0 | 116.1 | K675 | K673-K675 PolarHBondContact O-N 3.21Š| ||
| 674 | R | 25.8 | Very low | 35.7 | Very low | 256 Ų | 256 | 121 Ų | 121 | 97% | 0.966 | 62% | 0.618 | S | S | * | * | trans | -57.7 | 107.6 | 156 | -77.7 | -171.8 | 179.7 | -176.3 | 0.9 | 107.8 | L676 | R674-L676 PolarHBondContact O-N 3Š| ||
| 675 | K | 28.8 | Very low | 37.7 | Very low | 148 Ų | 148 | 118.3 Ų | 118.3 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | trans | -63.3 | 127.2 | 174.8 | -80.9 | -177.4 | 173.3 | 178.5 | 0 | 108.9 | K673 I677 | K673-K675 PolarHBondContact O-N 3.21Å; K675-I677 PolarHBondContact O-N 3.12Å | ||
| 676 | L | 26.8 | Very low | 39.5 | Very low | 139 Ų | 139 | 109.5 Ų | 109.5 | 73% | 0.728 | 55% | 0.551 | S | S | * | * | trans | -68.5 | 110.7 | 169.5 | -145.4 | 79.4 | 0 | 0 | 0 | 107.7 | R674 K678 | R674-L676 PolarHBondContact O-N 3Å; L676-K678 PolarHBondContact O-N 3.5Å; L676-K678 VanDerWaalsContact O-N 3.15Å | ||
| 677 | I | 28.7 | Very low | 42.1 | Very low | 132 Ų | 132 | 105 Ų | 105 | 68% | 0.677 | 52% | 0.519 | S | S | * | . | trans | -66.3 | 110.9 | 163.1 | -61.9 | 176 | 0 | 0 | 0 | 105 | K675 D679 | K675-I677 PolarHBondContact O-N 3.12Å; I677-D679 PolarHBondContact O-N 3.41Å | ||
| 678 | K | 36.8 | Very low | 44.8 | Very low | 82 Ų | 82 | 98 Ų | 98 | 36% | 0.357 | 48% | 0.483 | S | S | . | . | trans | -81.5 | 101.3 | 177.5 | -75.7 | -157.3 | 179.5 | 81.1 | 0 | 109.1 | S560 P597 L676 | S560-K678 WeakPolarHBondContact CB-O 3.49Å; P597-K678 VanDerWaalsContact C-CE 3.45Å; P597-K678 WeakPolarHBondContact O-CE 3.35Å; P597-K678 PolarHBondContact O-NZ 3.18Å; L676-K678 PolarHBondContact O-N 3.5Å; L676-K678 VanDerWaalsContact O-N 3.15Å | ||
| 679 | D | 41.4 | Very low | 47.6 | Very low | 96 Ų | 96 | 91.7 Ų | 91.7 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | trans | -65.9 | 125 | 171.7 | -167.9 | -20.3 | 0 | 0 | 0 | 110.2 | I677 L681 H682 | I677-D679 PolarHBondContact O-N 3.41Å; D679-L681 HydrophobicContact CB-CB 4.15Å; D679-L681 PolarHBondContact O-N 3.17Å; D679-L681 WeakPolarHBondContact OD1-CB 3.24Å; D679-L681 PolarHBondContact OD1-N 2.89Å; D679-H682 PolarHBondContact O-N 3.2Å | ||
| 680 | P | 42.2 | Very low | 50.4 | Low | 62 Ų | 62 | 86.7 Ų | 86.7 | 40% | 0.403 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -14.8 | 172.3 | -25.7 | 35.9 | 0 | 0 | 0 | 114.5 | H682 Y684 | P680-H682 PolarHBondContact O-N 3.14Å; P680-H682 VanDerWaalsContact O-N 3.14Å; P680-Y684 WeakPolarHBondContact O-CD2 3.18Å |
| 681 | L | 49.8 | Very low | 53.4 | Low | 36 Ų | 36 | 79.4 Ų | 79.4 | 19% | 0.188 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -47.6 | -34.5 | 169.9 | -178.1 | 63.8 | 0 | 0 | 0 | 113.9 | L342 H343 D679 D683 Y684 | L342-L681 VanDerWaalsContact CA-CD1 3.49Å; L342-L681 HydrophobicContact CB-CD1 3.83Å; L342-L681 HydrophobicContact CD2-CD1 3.89Å; L342-L681 HydrophobicContact CG-CD1 4.49Å; H343-L681 WeakPolarHBondContact O-CD1 3.37Å; H343-L681 WeakPolarHBondContact O-CD2 3.33Å; D679-L681 HydrophobicContact CB-CB 4.15Å; D679-L681 PolarHBondContact O-N 3.17Å; D679-L681 WeakPolarHBondContact OD1-CB 3.24Å; D679-L681 PolarHBondContact OD1-N 2.89Å; L681-D683 PolarHBondContact O-N 2.84Å; L681-Y684 PolarHBondContact O-N 3.43Å |
| 682 | H | 53 | Low | 56.5 | Low | 74 Ų | 74 | 70.2 Ų | 70.2 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.7 | -35.3 | -165.2 | -137.5 | 37.4 | 0 | 0 | 0 | 113.8 | H600 D679 P680 Y684 T685 | H600-H682 VanDerWaalsContact CB-CD2 3.48Å; H600-H682 WeakPolarHBondContact CB-CD2 3.41Å; H600-H682 VanDerWaalsContact CB-NE2 3.33Å; H600-H682 WeakPolarHBondContact CB-NE2 3.21Å; H600-H682 PolarHBondContact O-NE2 2.68Å; D679-H682 PolarHBondContact O-N 3.2Å; P680-H682 PolarHBondContact O-N 3.14Å; P680-H682 VanDerWaalsContact O-N 3.14Å; H682-Y684 PolarHBondContact O-N 3.29Å; H682-T685 WeakPolarHBondContact O-CB 3.46Å; H682-T685 WeakPolarHBondContact O-CG2 3.34Å; H682-T685 PolarHBondContact O-N 3.38Å; H682-T685 PolarHBondContact O-OG1 3.44Å |
| 683 | D | 59.3 | Low | 59.4 | Low | 35 Ų | 35 | 65.5 Ų | 65.5 | 19% | 0.187 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.5 | -32 | -174.5 | -61.2 | -16 | 0 | 0 | 0 | 112.3 | L594 L681 T685 Y687 | L594-D683 WeakPolarHBondContact CA-OD2 3.23Å; L681-D683 PolarHBondContact O-N 2.84Å; D683-T685 PolarHBondContact O-N 2.89Å; D683-Y687 WeakPolarHBondContact O-CD2 3.22Å |
| 684 | Y | 72.1 | Confident | 62.5 | Low | 35 Ų | 35 | 56.1 Ų | 56.1 | 14% | 0.137 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.8 | -17 | -179.9 | -63.8 | -75 | 0 | 0 | 0 | 113.6 | L342 P429 T430 V431 P680 L681 H682 Y687 T688 | L342-Y684 HydrophobicContact CD1-CD1 4.07Å; L342-Y684 HydrophobicContact CD1-CD2 3.72Å; L342-Y684 HydrophobicContact CD1-CE1 4.43Å; L342-Y684 HydrophobicContact CD1-CE2 4.1Å; L342-Y684 HydrophobicContact CD1-CG 3.7Å; L342-Y684 HydrophobicContact CD2-CD2 3.56Å; L342-Y684 HydrophobicContact CD2-CE2 3.94Å; L342-Y684 HydrophobicContact CD2-CG 4.3Å; L342-Y684 HydrophobicContact CG-CD2 4.31Å; P429-Y684 WeakPolarHBondContact O-CD1 3.37Å; T430-Y684 HydrophobicContact CG2-CD1 4.07Å; T430-Y684 HydrophobicContact CG2-CE1 4.33Å; V431-Y684 HydrophobicContact CG2-CE1 4.35Å; P680-Y684 WeakPolarHBondContact O-CD2 3.18Å; L681-Y684 PolarHBondContact O-N 3.43Å; H682-Y684 PolarHBondContact O-N 3.29Å; Y684-Y687 PolarHBondContact O-N 2.85Å; Y684-T688 WeakPolarHBondContact O-CB 3.4Å; Y684-T688 PolarHBondContact O-N 2.78Å; Y684-T688 PolarHBondContact O-OG1 3.38Å |
| 685 | T | 73.2 | Confident | 65.7 | Low | 13 Ų | 13 | 44 Ų | 44 | 8% | 0.08 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.2 | -49.4 | 176.7 | 66.4 | 0 | 0 | 0 | 0 | 111 | L345 V348 I603 H682 D683 Y687 T688 Y689 | L345-T685 HydrophobicContact CD2-CG2 4.22Å; V348-T685 WeakPolarHBondContact CG1-O 3.44Å; V348-T685 HydrophobicContact CG2-CG2 4.13Å; I603-T685 WeakPolarHBondContact CD1-OG1 3.3Å; H682-T685 WeakPolarHBondContact O-CB 3.46Å; H682-T685 WeakPolarHBondContact O-CG2 3.34Å; H682-T685 PolarHBondContact O-N 3.38Å; H682-T685 PolarHBondContact O-OG1 3.44Å; D683-T685 PolarHBondContact O-N 2.89Å; T685-Y687 VanDerWaalsContact C-N 3.33Å; T685-Y687 PolarHBondContact O-N 3.3Å; T685-T688 PolarHBondContact O-N 3.5Å; T685-Y689 PolarHBondContact O-N 3.29Å |
| 686 | V | 71.5 | Confident | 68.7 | Low | 12 Ų | 12 | 36.9 Ų | 36.9 | 7% | 0.073 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.3 | -44.9 | 178.7 | -176.1 | 0 | 0 | 0 | 0 | 110.9 | L593 H600 T688 Y689 D690 | L593-V686 HydrophobicContact CD1-CG1 4.34Å; L593-V686 HydrophobicContact CD2-CG2 4.43Å; H600-V686 WeakPolarHBondContact NE2-CG2 3.37Å; V686-T688 VanDerWaalsContact C-N 3.31Å; V686-T688 PolarHBondContact O-N 2.91Å; V686-Y689 PolarHBondContact O-N 3.05Å; V686-D690 WeakPolarHBondContact O-CB 3.48Å; V686-D690 PolarHBondContact O-N 2.95Å |
| 687 | Y | 82 | Confident | 71.7 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67 | -32.4 | -179.9 | -61.5 | -46.4 | 0 | 0 | 0 | 113.3 | P429 T448 V449 P450 H591 L593 D683 Y684 T685 A691 R794 | P429-Y687 VanDerWaalsContact CB-C 3.42Å; T448-Y687 WeakPolarHBondContact O-CD1 3.34Å; T448-Y687 VanDerWaalsContact O-CE1 3.24Å; T448-Y687 WeakPolarHBondContact O-CE1 3.3Å; T448-Y687 PolarHBondContact OG1-O 2.9Å; V449-Y687 HydrophobicContact CB-CD1 4.32Å; V449-Y687 HydrophobicContact CB-CD2 3.65Å; V449-Y687 HydrophobicContact CB-CE1 4.39Å; V449-Y687 HydrophobicContact CB-CE2 3.75Å; V449-Y687 HydrophobicContact CB-CG 3.95Å; V449-Y687 HydrophobicContact CG2-CD2 3.91Å; V449-Y687 HydrophobicContact CG2-CE2 3.51Å; P450-Y687 WeakPolarHBondContact CD-OH 3.18Å; H591-Y687 AromaticContact CE1-CZ 3.96Å; H591-Y687 PolarHBondContact CE1-OH 3.32Å; H591-Y687 PolarHBondContact ND1-OH 3.01Å; H591-Y687 PolarHBondContact NE2-OH 3Å; L593-Y687 HydrophobicContact CD1-CE1 3.66Å; L593-Y687 HydrophobicContact CD1-CE2 4.43Å; L593-Y687 VanDerWaalsContact CD1-OH 3.26Å; L593-Y687 WeakPolarHBondContact CD1-OH 3.42Å; D683-Y687 WeakPolarHBondContact O-CD2 3.22Å; Y684-Y687 PolarHBondContact O-N 2.85Å; T685-Y687 VanDerWaalsContact C-N 3.33Å; T685-Y687 PolarHBondContact O-N 3.3Å; Y687-A691 WeakPolarHBondContact O-CB 3.25Å; Y687-A691 PolarHBondContact O-N 3.38Å; Y687-A691 VanDerWaalsContact O-N 3.1Å; Y687-R794 VanDerWaalsContact CD1-NH1 3.3Å; Y687-R794 VanDerWaalsContact CE1-NH1 3.32Å |
| 688 | T | 86.5 | Confident | 74.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -72 | -39.7 | 174.3 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | F334 L345 A349 P429 Y684 T685 V686 A691 V692 | F334-T688 HydrophobicContact CE1-CG2 4.18Å; L345-T688 HydrophobicContact CB-CG2 4.37Å; L345-T688 WeakPolarHBondContact O-CG2 3.45Å; A349-T688 HydrophobicContact CB-CG2 3.91Å; P429-T688 WeakPolarHBondContact CB-OG1 3.29Å; P429-T688 WeakPolarHBondContact CG-OG1 3.32Å; Y684-T688 WeakPolarHBondContact O-CB 3.4Å; Y684-T688 PolarHBondContact O-N 2.78Å; Y684-T688 PolarHBondContact O-OG1 3.38Å; T685-T688 PolarHBondContact O-N 3.5Å; V686-T688 VanDerWaalsContact C-N 3.31Å; V686-T688 PolarHBondContact O-N 2.91Å; T688-A691 WeakPolarHBondContact O-CB 3.31Å; T688-A691 PolarHBondContact O-N 2.85Å; T688-V692 PolarHBondContact O-N 3.33Å |
| 689 | Y | 85.6 | Confident | 77.4 | Confident | 51 Ų | 51 | 21.8 Ų | 21.8 | 20% | 0.2 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.4 | -50.6 | 173.9 | -159.4 | -78.8 | 0 | 0 | 0 | 110.9 | V348 A352 F355 T685 V686 A691 V692 I693 Y733 | V348-Y689 HydrophobicContact CG1-CD2 4.25Å; A352-Y689 HydrophobicContact CB-CD1 4.29Å; A352-Y689 HydrophobicContact CB-CD2 3.62Å; A352-Y689 HydrophobicContact CB-CE1 4.29Å; A352-Y689 HydrophobicContact CB-CE2 3.62Å; A352-Y689 HydrophobicContact CB-CG 3.96Å; F355-Y689 WeakPolarHBondContact CB-OH 3.21Å; F355-Y689 WeakPolarHBondContact CG-OH 3.3Å; T685-Y689 PolarHBondContact O-N 3.29Å; V686-Y689 PolarHBondContact O-N 3.05Å; Y689-A691 PolarHBondContact O-N 3.42Å; Y689-V692 PolarHBondContact O-N 2.89Å; Y689-V692 VanDerWaalsContact O-N 3.11Å; Y689-I693 HydrophobicContact CD1-CD1 4.3Å; Y689-I693 HydrophobicContact CD1-CG1 3.73Å; Y689-I693 HydrophobicContact CE1-CD1 3.76Å; Y689-I693 HydrophobicContact CE1-CG1 3.64Å; Y689-I693 WeakPolarHBondContact O-CG1 3.48Å; Y689-I693 PolarHBondContact O-N 2.82Å; Y689-I693 VanDerWaalsContact O-N 3.12Å; Y689-Y733 HydrophobicContact CD1-CE1 4.28Å; Y689-Y733 HydrophobicContact CE1-CE1 4.25Å |
| 690 | D | 85.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -53.3 | -36.3 | 174.4 | -83.2 | -34.7 | 0 | 0 | 0 | 112.2 | T448 V686 I693 L694 F731 Y733 L786 R794 | T448-D690 HydrophobicContact CG2-CB 4.14Å; V686-D690 WeakPolarHBondContact O-CB 3.48Å; V686-D690 PolarHBondContact O-N 2.95Å; D690-I693 PolarHBondContact O-N 3.39Å; D690-L694 WeakPolarHBondContact O-CB 3.22Å; D690-L694 PolarHBondContact O-N 2.92Å; D690-F731 HydrophobicContact CB-CZ 4.39Å; D690-F731 WeakPolarHBondContact OD1-CE2 3.41Å; D690-Y733 VanDerWaalsContact OD1-CE2 3.32Å; D690-Y733 WeakPolarHBondContact OD1-CE2 3.4Å; D690-Y733 PolarHBondContact OD1-OH 3.04Å; D690-L786 HydrophobicContact CB-CD2 4.43Å; D690-R794 IonicContact OD2-CZ 2.74Å; D690-R794 VanDerWaalsContact OD2-CZ 3.23Å; D690-R794 IonicContact OD2-NH1 3.55Å; D690-R794 PolarHBondContact OD2-NH1 3.3Å; D690-R794 IonicContact OD2-NH2 3.64Å; D690-R794 PolarHBondContact OD2-NH2 3.06Å |
| 691 | A | 91.4 | Very high | 82 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.1 | -36.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I404 V427 T448 Y687 T688 Y689 L695 | I404-A691 HydrophobicContact CD1-CB 4.03Å; I404-A691 HydrophobicContact CG1-CB 4.16Å; I404-A691 HydrophobicContact CG2-CB 4.24Å; V427-A691 HydrophobicContact CB-CB 4.08Å; V427-A691 HydrophobicContact CG1-CB 3.49Å; V427-A691 VanDerWaalsContact CG1-CB 3.49Å; T448-A691 HydrophobicContact CG2-CB 4.17Å; Y687-A691 WeakPolarHBondContact O-CB 3.25Å; Y687-A691 PolarHBondContact O-N 3.38Å; Y687-A691 VanDerWaalsContact O-N 3.1Å; T688-A691 WeakPolarHBondContact O-CB 3.31Å; T688-A691 PolarHBondContact O-N 2.85Å; Y689-A691 PolarHBondContact O-N 3.42Å; A691-L695 PolarHBondContact O-N 2.9Å |
| 692 | V | 91.5 | Very high | 84 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69.4 | -46.9 | 173.2 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | A349 A352 V353 V356 L370 I404 T688 Y689 L694 L695 A696 | A349-V692 HydrophobicContact CB-CG2 4.08Å; A352-V692 HydrophobicContact CB-CB 3.59Å; A352-V692 HydrophobicContact CB-CG1 3.68Å; A352-V692 HydrophobicContact CB-CG2 3.9Å; V353-V692 HydrophobicContact CG2-CG1 3.75Å; V353-V692 HydrophobicContact CG2-CG2 4.44Å; V356-V692 HydrophobicContact CG2-CG1 4.47Å; L370-V692 HydrophobicContact CD2-CG1 4.09Å; I404-V692 HydrophobicContact CD1-CB 4.24Å; I404-V692 HydrophobicContact CD1-CG2 3.31Å; T688-V692 PolarHBondContact O-N 3.33Å; Y689-V692 PolarHBondContact O-N 2.89Å; Y689-V692 VanDerWaalsContact O-N 3.11Å; V692-L694 VanDerWaalsContact C-N 3.28Å; V692-L694 PolarHBondContact O-N 2.67Å; V692-L695 PolarHBondContact O-N 2.7Å; V692-A696 VanDerWaalsContact O-CB 3.29Å; V692-A696 WeakPolarHBondContact O-CB 3.46Å; V692-A696 PolarHBondContact O-N 2.84Å |
| 693 | I | 89.1 | Confident | 85.8 | Confident | 4 Ų | 4 | 14.7 Ų | 14.7 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.2 | -37.6 | -179 | -58.2 | -54 | 0 | 0 | 0 | 111.3 | F355 V356 Y362 Y689 D690 A696 S697 F731 | F355-I693 HydrophobicContact CD1-CD1 3.82Å; F355-I693 HydrophobicContact CE1-CD1 4.07Å; V356-I693 HydrophobicContact CG2-CD1 3.57Å; Y362-I693 HydrophobicContact CE1-CG2 4.37Å; Y362-I693 WeakPolarHBondContact OH-CG2 3.42Å; Y689-I693 HydrophobicContact CD1-CD1 4.3Å; Y689-I693 HydrophobicContact CD1-CG1 3.73Å; Y689-I693 HydrophobicContact CE1-CD1 3.76Å; Y689-I693 HydrophobicContact CE1-CG1 3.64Å; Y689-I693 WeakPolarHBondContact O-CG1 3.48Å; Y689-I693 PolarHBondContact O-N 2.82Å; Y689-I693 VanDerWaalsContact O-N 3.12Å; D690-I693 PolarHBondContact O-N 3.39Å; I693-A696 PolarHBondContact O-N 2.83Å; I693-S697 VanDerWaalsContact O-CB 3.24Å; I693-S697 WeakPolarHBondContact O-CB 3.14Å; I693-S697 PolarHBondContact O-N 3.37Å; I693-F731 HydrophobicContact CB-CE1 4.06Å; I693-F731 HydrophobicContact CB-CE2 4.1Å; I693-F731 HydrophobicContact CB-CZ 3.72Å; I693-F731 HydrophobicContact CG2-CD1 3.88Å; I693-F731 HydrophobicContact CG2-CD2 3.84Å; I693-F731 HydrophobicContact CG2-CE1 3.71Å; I693-F731 HydrophobicContact CG2-CE2 3.66Å; I693-F731 HydrophobicContact CG2-CG 3.96Å; I693-F731 HydrophobicContact CG2-CZ 3.6Å |
| 694 | L | 91 | Very high | 87.1 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.1 | -55 | 174.2 | 176.9 | 60.5 | 0 | 0 | 0 | 112.7 | V427 T448 D690 V692 A696 S697 A698 V726 T729 F731 L786 F788 | V427-L694 HydrophobicContact CG1-CD2 3.82Å; V427-L694 HydrophobicContact CG2-CD2 4Å; T448-L694 HydrophobicContact CG2-CD2 4.32Å; D690-L694 WeakPolarHBondContact O-CB 3.22Å; D690-L694 PolarHBondContact O-N 2.92Å; V692-L694 VanDerWaalsContact C-N 3.28Å; V692-L694 PolarHBondContact O-N 2.67Å; L694-A696 VanDerWaalsContact C-N 3.34Å; L694-A696 PolarHBondContact O-N 2.69Å; L694-S697 PolarHBondContact O-N 3.29Å; L694-A698 WeakPolarHBondContact O-CB 3.28Å; L694-A698 PolarHBondContact O-N 3.11Å; L694-V726 HydrophobicContact CD1-CG1 3.96Å; L694-V726 HydrophobicContact CD2-CG1 3.83Å; L694-V726 HydrophobicContact CG-CG1 3.9Å; L694-T729 HydrophobicContact CD1-CG2 3.65Å; L694-F731 HydrophobicContact CB-CE1 4.1Å; L694-L786 HydrophobicContact CB-CD2 3.99Å; L694-L786 HydrophobicContact CD1-CD2 4.07Å; L694-L786 HydrophobicContact CD2-CD2 4.14Å; L694-L786 HydrophobicContact CG-CD2 4.29Å; L694-F788 HydrophobicContact CD1-CE2 3.79Å; L694-F788 HydrophobicContact CD1-CZ 4.35Å; L694-F788 HydrophobicContact CD2-CE2 3.81Å; L694-F788 HydrophobicContact CD2-CZ 3.52Å; L694-F788 HydrophobicContact CG-CE2 4.45Å |
| 695 | L | 93.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 179.1 | -72.3 | 173.6 | 0 | 0 | 0 | 111.3 | V330 I401 I404 I425 V427 A691 V692 V699 V726 | V330-L695 HydrophobicContact CG1-CD1 4.14Å; V330-L695 HydrophobicContact CG2-CD1 4.23Å; I401-L695 HydrophobicContact CD1-CB 4.01Å; I404-L695 HydrophobicContact CD1-CD1 4.42Å; I404-L695 HydrophobicContact CG1-CD1 3.98Å; I425-L695 HydrophobicContact CG2-CD2 3.99Å; V427-L695 HydrophobicContact CG2-CD1 4.15Å; V427-L695 HydrophobicContact CG2-CD2 3.88Å; V427-L695 HydrophobicContact CG2-CG 3.86Å; A691-L695 PolarHBondContact O-N 2.9Å; V692-L695 PolarHBondContact O-N 2.7Å; L695-V699 WeakPolarHBondContact O-CB 3.48Å; L695-V699 WeakPolarHBondContact O-CG2 3.46Å; L695-V699 PolarHBondContact O-N 3.42Å; L695-V726 HydrophobicContact CD2-CG2 4.38Å |
| 696 | A | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V356 Y362 L370 V692 I693 L694 V699 V700 | V356-A696 HydrophobicContact CB-CB 4.3Å; V356-A696 HydrophobicContact CG1-CB 3.56Å; V356-A696 HydrophobicContact CG2-CB 3.7Å; Y362-A696 HydrophobicContact CD1-CB 3.91Å; Y362-A696 HydrophobicContact CE1-CB 4.16Å; L370-A696 HydrophobicContact CD2-CB 4.26Å; V692-A696 VanDerWaalsContact O-CB 3.29Å; V692-A696 WeakPolarHBondContact O-CB 3.46Å; V692-A696 PolarHBondContact O-N 2.84Å; I693-A696 PolarHBondContact O-N 2.83Å; L694-A696 VanDerWaalsContact C-N 3.34Å; L694-A696 PolarHBondContact O-N 2.69Å; A696-V699 PolarHBondContact O-N 3.37Å; A696-V700 WeakPolarHBondContact O-CB 3.38Å; A696-V700 WeakPolarHBondContact O-CG2 3.04Å; A696-V700 PolarHBondContact O-N 2.76Å |
| 697 | S | 90 | Very high | 88.6 | Confident | 35 Ų | 35 | 27.6 Ų | 27.6 | 25% | 0.245 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63 | -44.4 | -179.9 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | I693 L694 V700 H701 | I693-S697 VanDerWaalsContact O-CB 3.24Å; I693-S697 WeakPolarHBondContact O-CB 3.14Å; I693-S697 PolarHBondContact O-N 3.37Å; L694-S697 PolarHBondContact O-N 3.29Å; S697-V700 PolarHBondContact O-N 2.8Å; S697-H701 PolarHBondContact O-N 3.1Å |
| 698 | A | 92.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L694 H701 L702 L722 L725 V726 | L694-A698 WeakPolarHBondContact O-CB 3.28Å; L694-A698 PolarHBondContact O-N 3.11Å; A698-H701 PolarHBondContact O-N 2.86Å; A698-L702 WeakPolarHBondContact O-CB 3.37Å; A698-L702 PolarHBondContact O-N 3.38Å; A698-L722 HydrophobicContact CB-CD1 3.84Å; A698-L725 HydrophobicContact CB-CB 4.02Å; A698-V726 HydrophobicContact CB-CB 4.41Å; A698-V726 HydrophobicContact CB-CG2 3.48Å; A698-V726 VanDerWaalsContact CB-CG2 3.48Å |
| 699 | V | 92.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.3 | -37.4 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | L328 F363 I401 L695 A696 H701 L702 L703 L722 | L328-V699 HydrophobicContact CD1-CG1 3.88Å; F363-V699 HydrophobicContact CE1-CG1 4.37Å; F363-V699 HydrophobicContact CZ-CB 4.36Å; F363-V699 HydrophobicContact CZ-CG1 3.88Å; I401-V699 HydrophobicContact CB-CG2 3.97Å; I401-V699 HydrophobicContact CD1-CG2 3.66Å; I401-V699 HydrophobicContact CG1-CG2 4.44Å; I401-V699 HydrophobicContact CG2-CG2 3.97Å; L695-V699 WeakPolarHBondContact O-CB 3.48Å; L695-V699 WeakPolarHBondContact O-CG2 3.46Å; L695-V699 PolarHBondContact O-N 3.42Å; A696-V699 PolarHBondContact O-N 3.37Å; V699-H701 VanDerWaalsContact C-N 3.3Å; V699-H701 PolarHBondContact O-N 3.29Å; V699-L702 PolarHBondContact O-N 3.38Å; V699-L703 HydrophobicContact CG1-CD1 3.58Å; V699-L703 HydrophobicContact CG1-CG 4.03Å; V699-L703 WeakPolarHBondContact O-CB 3.29Å; V699-L703 VanDerWaalsContact O-CG 3.29Å; V699-L703 WeakPolarHBondContact O-CG 3.41Å; V699-L703 PolarHBondContact O-N 2.68Å; V699-L722 HydrophobicContact CG2-CD1 3.67Å; V699-L722 HydrophobicContact CG2-CD2 4.17Å |
| 700 | V | 90.9 | Very high | 88 | Confident | 12 Ų | 12 | 25.2 Ų | 25.2 | 7% | 0.073 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.3 | -38 | 174.3 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | Y362 F363 A696 S697 R704 | Y362-V700 HydrophobicContact CD1-CG2 4.25Å; F363-V700 HydrophobicContact CD1-CG2 3.96Å; F363-V700 HydrophobicContact CE1-CG2 3.53Å; F363-V700 HydrophobicContact CE2-CG2 4.47Å; F363-V700 HydrophobicContact CZ-CG2 3.8Å; A696-V700 WeakPolarHBondContact O-CB 3.38Å; A696-V700 WeakPolarHBondContact O-CG2 3.04Å; A696-V700 PolarHBondContact O-N 2.76Å; S697-V700 PolarHBondContact O-N 2.8Å; V700-R704 WeakPolarHBondContact O-CB 3.39Å; V700-R704 WeakPolarHBondContact O-CG 3.36Å; V700-R704 PolarHBondContact O-N 2.88Å; V700-R704 VanDerWaalsContact O-N 3.11Å |
| 701 | H | 90.2 | Very high | 87.5 | Confident | 92 Ų | 92 | 28.2 Ų | 28.2 | 43% | 0.426 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -65.3 | -52.1 | 173.1 | -158.4 | -69.7 | 0 | 0 | 0 | 111.3 | S697 A698 V699 L703 R704 E705 L725 | S697-H701 PolarHBondContact O-N 3.1Å; A698-H701 PolarHBondContact O-N 2.86Å; V699-H701 VanDerWaalsContact C-N 3.3Å; V699-H701 PolarHBondContact O-N 3.29Å; H701-L703 VanDerWaalsContact C-N 3.29Å; H701-L703 PolarHBondContact O-N 2.79Å; H701-R704 PolarHBondContact O-N 2.94Å; H701-R704 VanDerWaalsContact O-N 3.11Å; H701-E705 IonicContact CE1-OE1 3.19Å; H701-E705 PolarHBondContact CE1-OE1 2.81Å; H701-E705 IonicContact CE1-OE2 2.73Å; H701-E705 PolarHBondContact CE1-OE2 2.82Å; H701-E705 VanDerWaalsContact CE1-OE2 3.25Å; H701-E705 IonicContact ND1-OE1 3.08Å; H701-E705 IonicContact ND1-OE2 3.68Å; H701-E705 PolarHBondContact ND1-OE2 3.5Å; H701-E705 PolarHBondContact O-N 2.84Å; H701-L725 HydrophobicContact CB-CD1 4.28Å; H701-L725 HydrophobicContact CB-CD2 4.12Å; H701-L725 WeakPolarHBondContact ND1-CD2 3.33Å |
| 702 | L | 91.5 | Very high | 86.8 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -53.3 | -44 | 178.7 | 177.7 | 64.8 | 0 | 0 | 0 | 112.4 | A698 V699 N706 A709 L713 V718 T721 L722 L725 | A698-L702 WeakPolarHBondContact O-CB 3.37Å; A698-L702 PolarHBondContact O-N 3.38Å; V699-L702 PolarHBondContact O-N 3.38Å; L702-N706 CarbonylContact O-C 3.59Å; L702-N706 WeakPolarHBondContact O-CA 3.31Å; L702-N706 PolarHBondContact O-N 2.87Å; L702-A709 HydrophobicContact CD1-CB 3.99Å; L702-A709 HydrophobicContact CD2-CB 4.02Å; L702-A709 HydrophobicContact CG-CB 3.83Å; L702-L713 HydrophobicContact CD2-CD2 4.34Å; L702-V718 HydrophobicContact CD2-CG1 3.97Å; L702-T721 HydrophobicContact CD1-CG2 3.83Å; L702-L722 HydrophobicContact CB-CD1 4.48Å; L702-L722 HydrophobicContact CD2-CB 4.25Å; L702-L722 HydrophobicContact CD2-CD1 4.01Å; L702-L725 HydrophobicContact CB-CD1 3.74Å; L702-L725 HydrophobicContact CD1-CD1 4.37Å |
| 703 | L | 89.8 | Confident | 86.4 | Confident | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.058 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -82.3 | -17.7 | -177.4 | -62.3 | 179.7 | 0 | 0 | 0 | 113.7 | L328 Y368 V699 H701 P707 A709 A710 | L328-L703 HydrophobicContact CD1-CD1 3.67Å; Y368-L703 HydrophobicContact CD1-CD1 4.08Å; Y368-L703 HydrophobicContact CD2-CD1 3.82Å; Y368-L703 HydrophobicContact CE1-CD1 4.08Å; Y368-L703 HydrophobicContact CE2-CB 4.13Å; Y368-L703 HydrophobicContact CE2-CD1 3.83Å; Y368-L703 HydrophobicContact CE2-CG 4.47Å; Y368-L703 HydrophobicContact CG-CD1 3.95Å; V699-L703 HydrophobicContact CG1-CD1 3.58Å; V699-L703 HydrophobicContact CG1-CG 4.03Å; V699-L703 WeakPolarHBondContact O-CB 3.29Å; V699-L703 VanDerWaalsContact O-CG 3.29Å; V699-L703 WeakPolarHBondContact O-CG 3.41Å; V699-L703 PolarHBondContact O-N 2.68Å; H701-L703 VanDerWaalsContact C-N 3.29Å; H701-L703 PolarHBondContact O-N 2.79Å; L703-P707 WeakPolarHBondContact O-CA 3.35Å; L703-P707 WeakPolarHBondContact O-CD 3.43Å; L703-P707 WeakPolarHBondContact O-CG 3.37Å; L703-A709 HydrophobicContact CD2-CB 4.14Å; L703-A710 HydrophobicContact CD1-CB 4.44Å; L703-A710 HydrophobicContact CD2-CB 3.67Å |
| 704 | R | 86.4 | Confident | 85.9 | Confident | 167 Ų | 167 | 34.1 Ų | 34.1 | 63% | 0.63 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -75.2 | -41.6 | 168 | -78.8 | 173.2 | -179.5 | 163.7 | 8.7 | 111.5 | D361 V700 H701 | D361-R704 PolarHBondContact O-NH2 2.92Å; V700-R704 WeakPolarHBondContact O-CB 3.39Å; V700-R704 WeakPolarHBondContact O-CG 3.36Å; V700-R704 PolarHBondContact O-N 2.88Å; V700-R704 VanDerWaalsContact O-N 3.11Å; H701-R704 PolarHBondContact O-N 2.94Å; H701-R704 VanDerWaalsContact O-N 3.11Å |
| 705 | E | 85.3 | Confident | 85.5 | Confident | 127 Ų | 127 | 38.4 Ų | 38.4 | 59% | 0.593 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -73.8 | -39.2 | 175.7 | -67.1 | 178.2 | 123.3 | 0 | 0 | 112.1 | H701 | H701-E705 IonicContact CE1-OE1 3.19Å; H701-E705 PolarHBondContact CE1-OE1 2.81Å; H701-E705 IonicContact CE1-OE2 2.73Å; H701-E705 PolarHBondContact CE1-OE2 2.82Å; H701-E705 VanDerWaalsContact CE1-OE2 3.25Å; H701-E705 IonicContact ND1-OE1 3.08Å; H701-E705 IonicContact ND1-OE2 3.68Å; H701-E705 PolarHBondContact ND1-OE2 3.5Å; H701-E705 PolarHBondContact O-N 2.84Å |
| 706 | N | 83.7 | Confident | 85.1 | Confident | 39 Ų | 39 | 41.4 Ų | 41.4 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | trans | -146.2 | 87.1 | -175.6 | -179.7 | 15.6 | 0 | 0 | 0 | 112.5 | N43 L702 A708 A709 | N43-N706 PolarHBondContact ND2-ND2 2.89Å; N43-N706 PolarHBondContact OD1-ND2 3.41Å; N43-N706 PolarHBondContact OD1-OD1 2.66Å; L702-N706 CarbonylContact O-C 3.59Å; L702-N706 WeakPolarHBondContact O-CA 3.31Å; L702-N706 PolarHBondContact O-N 2.87Å; N706-A708 PolarHBondContact O-N 2.78Å; N706-A708 WeakPolarHBondContact OD1-CB 3.5Å; N706-A708 PolarHBondContact OD1-N 3.23Å; N706-A709 VanDerWaalsContact O-CB 3.31Å; N706-A709 WeakPolarHBondContact O-CB 3.4Å; N706-A709 PolarHBondContact O-N 3.48Å | ||
| 707 | P | 80.9 | Confident | 84.8 | Confident | 33 Ų | 33 | 46.5 Ų | 46.5 | 21% | 0.214 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -56.1 | -25.4 | 177.1 | -26.3 | 33.3 | 0 | 0 | 0 | 114.7 | T38 Y368 L703 A709 | T38-P707 HydrophobicContact CG2-CB 4.2Å; T38-P707 HydrophobicContact CG2-CG 4.46Å; Y368-P707 PolarHBondContact OH-O 2.91Å; Y368-P707 VanDerWaalsContact OH-O 3.08Å; L703-P707 WeakPolarHBondContact O-CA 3.35Å; L703-P707 WeakPolarHBondContact O-CD 3.43Å; L703-P707 WeakPolarHBondContact O-CG 3.37Å; P707-A709 VanDerWaalsContact C-N 3.27Å; P707-A709 PolarHBondContact O-N 2.81Å |
| 708 | A | 74.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -73.3 | -17.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | N706 A710 S711 | N706-A708 PolarHBondContact O-N 2.78Å; N706-A708 WeakPolarHBondContact OD1-CB 3.5Å; N706-A708 PolarHBondContact OD1-N 3.23Å; A708-A710 PolarHBondContact O-N 2.97Å; A708-S711 WeakPolarHBondContact O-CB 3.45Å; A708-S711 PolarHBondContact O-N 2.72Å; A708-S711 PolarHBondContact O-OG 3.02Å |
| 709 | A | 84.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -59.1 | -28.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L702 L703 N706 P707 S711 A712 L713 V718 | L702-A709 HydrophobicContact CD1-CB 3.99Å; L702-A709 HydrophobicContact CD2-CB 4.02Å; L702-A709 HydrophobicContact CG-CB 3.83Å; L703-A709 HydrophobicContact CD2-CB 4.14Å; N706-A709 VanDerWaalsContact O-CB 3.31Å; N706-A709 WeakPolarHBondContact O-CB 3.4Å; N706-A709 PolarHBondContact O-N 3.48Å; P707-A709 VanDerWaalsContact C-N 3.27Å; P707-A709 PolarHBondContact O-N 2.81Å; A709-S711 PolarHBondContact O-N 2.77Å; A709-A712 CarbonylContact O-C 3.57Å; A709-A712 PolarHBondContact O-N 3.12Å; A709-L713 PolarHBondContact O-N 3Å; A709-V718 HydrophobicContact CB-CG1 3.88Å; A709-V718 HydrophobicContact CB-CG2 4.44Å |
| 710 | A | 82.4 | Confident | 84.5 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -61.8 | -8.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L328 Y368 R399 L703 A708 | L328-A710 HydrophobicContact CD2-CB 4.39Å; Y368-A710 HydrophobicContact CD1-CB 4.21Å; Y368-A710 HydrophobicContact CE1-CB 3.46Å; Y368-A710 VanDerWaalsContact CE1-CB 3.46Å; R399-A710 PolarHBondContact NH1-O 3.23Å; L703-A710 HydrophobicContact CD1-CB 4.44Å; L703-A710 HydrophobicContact CD2-CB 3.67Å; A708-A710 PolarHBondContact O-N 2.97Å |
| 711 | S | 73.7 | Confident | 84.5 | Confident | 62 Ų | 62 | 50.7 Ų | 50.7 | 43% | 0.434 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -103.1 | -2.7 | 174.6 | 70.5 | 0 | 0 | 0 | 0 | 114.2 | A708 A709 | A708-S711 WeakPolarHBondContact O-CB 3.45Å; A708-S711 PolarHBondContact O-N 2.72Å; A708-S711 PolarHBondContact O-OG 3.02Å; A709-S711 PolarHBondContact O-N 2.77Å |
| 712 | A | 77 | Confident | 84.7 | Confident | 20 Ų | 20 | 46.7 Ų | 46.7 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | trans | -151.1 | 38.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A709 D714 H715 V718 | A709-A712 CarbonylContact O-C 3.57Å; A709-A712 PolarHBondContact O-N 3.12Å; A712-D714 PolarHBondContact O-N 2.76Å; A712-H715 HydrophobicContact CB-CB 4.1Å; A712-H715 WeakPolarHBondContact O-CB 3.46Å; A712-H715 PolarHBondContact O-N 3.09Å; A712-V718 WeakPolarHBondContact O-CB 3.46Å; A712-V718 WeakPolarHBondContact O-CG2 3.5Å | ||
| 713 | L | 82.9 | Confident | 84.8 | Confident | 17 Ų | 17 | 48.6 Ų | 48.6 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -25 | -179.1 | -67.8 | 168 | 0 | 0 | 0 | 112.9 | L328 R399 I401 L702 A709 H715 V718 | L328-L713 HydrophobicContact CD2-CD1 4.37Å; R399-L713 HydrophobicContact CB-CD1 3.98Å; I401-L713 HydrophobicContact CG2-CD1 3.76Å; I401-L713 HydrophobicContact CG2-CD2 4.37Å; L702-L713 HydrophobicContact CD2-CD2 4.34Å; A709-L713 PolarHBondContact O-N 3Å; L713-H715 VanDerWaalsContact C-N 3.3Å; L713-V718 HydrophobicContact CD2-CG1 4.32Å |
| 714 | D | 78.8 | Confident | 84.9 | Confident | 91 Ų | 91 | 50 Ų | 50 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -13.1 | 172.4 | 62.7 | -41.4 | 0 | 0 | 0 | 113.4 | V396 A712 | V396-D714 HydrophobicContact CG2-CB 4.36Å; A712-D714 PolarHBondContact O-N 2.76Å |
| 715 | H | 83.2 | Confident | 85.1 | Confident | 91 Ų | 91 | 43 Ų | 43 | 42% | 0.421 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -70.7 | 131.3 | -178.9 | -163.2 | -97.4 | 0 | 0 | 0 | 111.2 | A712 L713 D717 V718 S719 | A712-H715 HydrophobicContact CB-CB 4.1Å; A712-H715 WeakPolarHBondContact O-CB 3.46Å; A712-H715 PolarHBondContact O-N 3.09Å; L713-H715 VanDerWaalsContact C-N 3.3Å; H715-D717 IonicContact CE1-OD2 3.86Å; H715-D717 PolarHBondContact CE1-OD2 3.44Å; H715-D717 IonicContact ND1-OD2 2.82Å; H715-D717 PolarHBondContact O-N 3.11Å; H715-V718 HydrophobicContact CB-CB 4.36Å; H715-V718 HydrophobicContact CB-CG2 4.12Å; H715-V718 PolarHBondContact O-N 3.09Å; H715-S719 PolarHBondContact O-N 3.1Å |
| 716 | P | 84.5 | Confident | 85.4 | Confident | 63 Ų | 63 | 37 Ų | 37 | 41% | 0.409 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -54 | -33.4 | -173.3 | -31 | 36.7 | 0 | 0 | 0 | 115.7 | K423 E720 | K423-P716 HydrophobicContact CD-CB 3.98Å; P716-E720 WeakPolarHBondContact O-CB 3.2Å; P716-E720 PolarHBondContact O-N 3.23Å |
| 717 | D | 86 | Confident | 85.6 | Confident | 107 Ų | 107 | 36.7 Ų | 36.7 | 57% | 0.572 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -77.2 | -32.5 | 179.7 | -53.8 | -28.3 | 0 | 0 | 0 | 112.7 | H715 T721 | H715-D717 IonicContact CE1-OD2 3.86Å; H715-D717 PolarHBondContact CE1-OD2 3.44Å; H715-D717 IonicContact ND1-OD2 2.82Å; H715-D717 PolarHBondContact O-N 3.11Å; D717-T721 WeakPolarHBondContact O-CB 3.5Å; D717-T721 PolarHBondContact O-N 2.89Å; D717-T721 PolarHBondContact O-OG1 3.5Å |
| 718 | V | 88.9 | Confident | 85.8 | Confident | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72.9 | -43.4 | 176.6 | 176.3 | 0 | 0 | 0 | 0 | 109.3 | L702 A709 A712 L713 H715 T721 L722 | L702-V718 HydrophobicContact CD2-CG1 3.97Å; A709-V718 HydrophobicContact CB-CG1 3.88Å; A709-V718 HydrophobicContact CB-CG2 4.44Å; A712-V718 WeakPolarHBondContact O-CB 3.46Å; A712-V718 WeakPolarHBondContact O-CG2 3.5Å; L713-V718 HydrophobicContact CD2-CG1 4.32Å; H715-V718 HydrophobicContact CB-CB 4.36Å; H715-V718 HydrophobicContact CB-CG2 4.12Å; H715-V718 PolarHBondContact O-N 3.09Å; V718-T721 PolarHBondContact O-N 3.21Å; V718-L722 WeakPolarHBondContact O-CB 3.28Å; V718-L722 PolarHBondContact O-N 3.5Å |
| 719 | S | 89.6 | Confident | 85.8 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 5% | 0.049 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.1 | -44.1 | 170.7 | 168.3 | 0 | 0 | 0 | 0 | 112.3 | K423 Y444 H715 T721 L722 R723 | K423-S719 WeakPolarHBondContact O-CB 3.32Å; K423-S719 PolarHBondContact O-OG 3.32Å; Y444-S719 WeakPolarHBondContact CE1-OG 3.2Å; H715-S719 PolarHBondContact O-N 3.1Å; S719-T721 VanDerWaalsContact C-N 3.34Å; S719-T721 PolarHBondContact O-N 3.15Å; S719-L722 PolarHBondContact O-N 3.11Å; S719-R723 WeakPolarHBondContact O-CB 3.39Å; S719-R723 PolarHBondContact O-N 3.34Å |
| 720 | E | 90.7 | Very high | 85.1 | Confident | 58 Ų | 58 | 49.4 Ų | 49.4 | 27% | 0.271 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66 | -36.4 | 178.2 | -169.9 | 56.7 | -146.8 | 0 | 0 | 112.7 | K423 Y444 P716 R723 T724 | K423-E720 IonicContact NZ-OE2 2.78Å; Y444-E720 PolarHBondContact OH-OE2 3.18Å; P716-E720 WeakPolarHBondContact O-CB 3.2Å; P716-E720 PolarHBondContact O-N 3.23Å; E720-R723 IonicContact OE1-CZ 2.62Å; E720-R723 IonicContact OE1-NE 2.69Å; E720-R723 PolarHBondContact OE1-NE 3.14Å; E720-R723 IonicContact OE1-NH2 3.55Å; E720-R723 PolarHBondContact OE1-NH2 3.36Å; E720-R723 IonicContact OE2-NE 3.42Å; E720-R723 PolarHBondContact OE2-NE 3.45Å; E720-T724 WeakPolarHBondContact O-CB 3.35Å; E720-T724 PolarHBondContact O-N 2.97Å; E720-T724 PolarHBondContact O-OG1 2.9Å |
| 721 | T | 91.6 | Very high | 84.1 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -48 | 172.8 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | L702 D717 V718 S719 R723 T724 L725 | L702-T721 HydrophobicContact CD1-CG2 3.83Å; D717-T721 WeakPolarHBondContact O-CB 3.5Å; D717-T721 PolarHBondContact O-N 2.89Å; D717-T721 PolarHBondContact O-OG1 3.5Å; V718-T721 PolarHBondContact O-N 3.21Å; S719-T721 VanDerWaalsContact C-N 3.34Å; S719-T721 PolarHBondContact O-N 3.15Å; T721-R723 PolarHBondContact O-N 2.9Å; T721-T724 WeakPolarHBondContact O-CB 3.47Å; T721-T724 PolarHBondContact O-N 3.38Å; T721-T724 VanDerWaalsContact O-N 3.16Å; T721-L725 HydrophobicContact CG2-CD1 4.1Å; T721-L725 WeakPolarHBondContact O-CG 3.18Å; T721-L725 PolarHBondContact O-N 3.29Å |
| 722 | L | 93.2 | Very high | 83 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 179 | -171.3 | 62.5 | 0 | 0 | 0 | 111.8 | I401 I425 A698 V699 L702 V718 S719 T724 L725 V726 | I401-L722 WeakPolarHBondContact O-CD2 3.39Å; I425-L722 HydrophobicContact CD1-CB 3.98Å; I425-L722 HydrophobicContact CD1-CD2 3.83Å; I425-L722 HydrophobicContact CD1-CG 3.58Å; A698-L722 HydrophobicContact CB-CD1 3.84Å; V699-L722 HydrophobicContact CG2-CD1 3.67Å; V699-L722 HydrophobicContact CG2-CD2 4.17Å; L702-L722 HydrophobicContact CB-CD1 4.48Å; L702-L722 HydrophobicContact CD2-CB 4.25Å; L702-L722 HydrophobicContact CD2-CD1 4.01Å; V718-L722 WeakPolarHBondContact O-CB 3.28Å; V718-L722 PolarHBondContact O-N 3.5Å; S719-L722 PolarHBondContact O-N 3.11Å; L722-T724 VanDerWaalsContact C-N 3.31Å; L722-T724 PolarHBondContact O-N 3.3Å; L722-L725 PolarHBondContact O-N 3.41Å; L722-V726 WeakPolarHBondContact O-CG2 3.31Å; L722-V726 PolarHBondContact O-N 2.89Å |
| 723 | R | 93.1 | Very high | 81.4 | Confident | 45 Ų | 45 | 50.5 Ų | 50.5 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.6 | -44.4 | 172.6 | -171.7 | -160.5 | 73.2 | 72.8 | 0.7 | 111.3 | I425 H443 Y444 F446 S719 E720 T721 A727 | I425-R723 HydrophobicContact CD1-CB 4.4Å; H443-R723 VanDerWaalsContact O-CD 3.29Å; H443-R723 WeakPolarHBondContact O-CD 3.4Å; Y444-R723 HydrophobicContact CD1-CB 3.99Å; Y444-R723 HydrophobicContact CD1-CG 3.82Å; Y444-R723 HydrophobicContact CE1-CB 3.93Å; Y444-R723 HydrophobicContact CE1-CG 4.01Å; F446-R723 HydrophobicContact CE2-CG 4.13Å; F446-R723 HydrophobicContact CZ-CG 4.06Å; S719-R723 WeakPolarHBondContact O-CB 3.39Å; S719-R723 PolarHBondContact O-N 3.34Å; E720-R723 IonicContact OE1-CZ 2.62Å; E720-R723 IonicContact OE1-NE 2.69Å; E720-R723 PolarHBondContact OE1-NE 3.14Å; E720-R723 IonicContact OE1-NH2 3.55Å; E720-R723 PolarHBondContact OE1-NH2 3.36Å; E720-R723 IonicContact OE2-NE 3.42Å; E720-R723 PolarHBondContact OE2-NE 3.45Å; T721-R723 PolarHBondContact O-N 2.9Å; R723-A727 WeakPolarHBondContact O-CB 3.23Å; R723-A727 PolarHBondContact O-N 2.92Å |
| 724 | T | 91.9 | Very high | 79.2 | Confident | 41 Ų | 41 | 60.7 Ų | 60.7 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 177.8 | -57.7 | 0 | 0 | 0 | 0 | 112 | E720 T721 L722 R728 | E720-T724 WeakPolarHBondContact O-CB 3.35Å; E720-T724 PolarHBondContact O-N 2.97Å; E720-T724 PolarHBondContact O-OG1 2.9Å; T721-T724 WeakPolarHBondContact O-CB 3.47Å; T721-T724 PolarHBondContact O-N 3.38Å; T721-T724 VanDerWaalsContact O-N 3.16Å; L722-T724 VanDerWaalsContact C-N 3.31Å; L722-T724 PolarHBondContact O-N 3.3Å; T724-R728 WeakPolarHBondContact O-CB 3.17Å; T724-R728 VanDerWaalsContact O-CG 3.3Å; T724-R728 WeakPolarHBondContact O-CG 3.49Å; T724-R728 PolarHBondContact O-N 2.71Å |
| 725 | L | 92 | Very high | 76.7 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.7 | -46.9 | 174.8 | -71 | 169.1 | 0 | 0 | 0 | 111.4 | A698 H701 L702 T721 L722 A727 R728 T729 | A698-L725 HydrophobicContact CB-CB 4.02Å; H701-L725 HydrophobicContact CB-CD1 4.28Å; H701-L725 HydrophobicContact CB-CD2 4.12Å; H701-L725 WeakPolarHBondContact ND1-CD2 3.33Å; L702-L725 HydrophobicContact CB-CD1 3.74Å; L702-L725 HydrophobicContact CD1-CD1 4.37Å; T721-L725 HydrophobicContact CG2-CD1 4.1Å; T721-L725 WeakPolarHBondContact O-CG 3.18Å; T721-L725 PolarHBondContact O-N 3.29Å; L722-L725 PolarHBondContact O-N 3.41Å; L725-A727 VanDerWaalsContact C-N 3.35Å; L725-A727 PolarHBondContact O-N 3.03Å; L725-R728 CarbonylContact O-C 3.59Å; L725-R728 PolarHBondContact O-N 2.95Å; L725-R728 VanDerWaalsContact O-N 3.08Å; L725-T729 WeakPolarHBondContact O-CB 3.45Å; L725-T729 PolarHBondContact O-N 3.09Å; L725-T729 PolarHBondContact O-OG1 2.74Å |
| 726 | V | 91.6 | Very high | 74.2 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.5 | -48.1 | 174.6 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | I425 F446 L694 L695 A698 L722 R728 T729 | I425-V726 HydrophobicContact CD1-CG2 4.07Å; F446-V726 HydrophobicContact CD1-CG1 3.72Å; F446-V726 HydrophobicContact CD2-CG1 3.65Å; F446-V726 HydrophobicContact CE1-CB 4.42Å; F446-V726 HydrophobicContact CE1-CG1 3.75Å; F446-V726 HydrophobicContact CE2-CB 4.18Å; F446-V726 HydrophobicContact CE2-CG1 3.65Å; F446-V726 HydrophobicContact CG-CG1 3.68Å; F446-V726 HydrophobicContact CZ-CB 4.08Å; F446-V726 HydrophobicContact CZ-CG1 3.71Å; L694-V726 HydrophobicContact CD1-CG1 3.96Å; L694-V726 HydrophobicContact CD2-CG1 3.83Å; L694-V726 HydrophobicContact CG-CG1 3.9Å; L695-V726 HydrophobicContact CD2-CG2 4.38Å; A698-V726 HydrophobicContact CB-CB 4.41Å; A698-V726 HydrophobicContact CB-CG2 3.48Å; A698-V726 VanDerWaalsContact CB-CG2 3.48Å; L722-V726 WeakPolarHBondContact O-CG2 3.31Å; L722-V726 PolarHBondContact O-N 2.89Å; V726-R728 PolarHBondContact O-N 3.29Å; V726-T729 PolarHBondContact O-N 2.88Å |
| 727 | A | 87.3 | Confident | 71.5 | Confident | 33 Ų | 33 | 64.6 Ų | 64.6 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.2 | -30.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F446 R723 L725 | F446-A727 HydrophobicContact CE1-CB 3.77Å; F446-A727 HydrophobicContact CZ-CB 4.1Å; R723-A727 WeakPolarHBondContact O-CB 3.23Å; R723-A727 PolarHBondContact O-N 2.92Å; L725-A727 VanDerWaalsContact C-N 3.35Å; L725-A727 PolarHBondContact O-N 3.03Å |
| 728 | R | 84.1 | Confident | 68.7 | Low | 185 Ų | 185 | 66.2 Ų | 66.2 | 70% | 0.698 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -95.7 | -4.4 | -179.5 | -69.4 | 176 | 177.1 | -176 | -0.6 | 114.3 | T724 L725 V726 N730 | T724-R728 WeakPolarHBondContact O-CB 3.17Å; T724-R728 VanDerWaalsContact O-CG 3.3Å; T724-R728 WeakPolarHBondContact O-CG 3.49Å; T724-R728 PolarHBondContact O-N 2.71Å; L725-R728 CarbonylContact O-C 3.59Å; L725-R728 PolarHBondContact O-N 2.95Å; L725-R728 VanDerWaalsContact O-N 3.08Å; V726-R728 PolarHBondContact O-N 3.29Å; R728-N730 PolarHBondContact O-N 3.44Å; R728-N730 PolarHBondContact O-ND2 3.18Å |
| 729 | T | 76.1 | Confident | 65.9 | Low | 15 Ų | 15 | 73.2 Ų | 73.2 | 9% | 0.092 | 36% | 0.361 | C | S | . | . | trans | -74.4 | 95.2 | -171.5 | -71.7 | 0 | 0 | 0 | 0 | 110.7 | L694 L725 V726 F731 | L694-T729 HydrophobicContact CD1-CG2 3.65Å; L725-T729 WeakPolarHBondContact O-CB 3.45Å; L725-T729 PolarHBondContact O-N 3.09Å; L725-T729 PolarHBondContact O-OG1 2.74Å; V726-T729 PolarHBondContact O-N 2.88Å; T729-F731 HydrophobicContact CG2-CD1 3.83Å; T729-F731 HydrophobicContact CG2-CE1 4.42Å | ||
| 730 | N | 68.2 | Low | 63 | Low | 100 Ų | 100 | 76.8 Ų | 76.8 | 54% | 0.535 | 39% | 0.386 | S | S | . | . | trans | -97.7 | 88.8 | 172.7 | -68.2 | -65.5 | 0 | 0 | 0 | 110.2 | R728 L786 R787 | R728-N730 PolarHBondContact O-N 3.44Å; R728-N730 PolarHBondContact O-ND2 3.18Å; N730-L786 WeakPolarHBondContact CA-O 3.38Å; N730-L786 PolarHBondContact OD1-O 2.77Å; N730-R787 WeakPolarHBondContact OD1-CB 3.4Å; N730-R787 WeakPolarHBondContact OD1-CD 3.38Å; N730-R787 WeakPolarHBondContact OD1-CG 3.49Å | ||
| 731 | F | 62.3 | Low | 60.1 | Low | 20 Ų | 20 | 81.1 Ų | 81.1 | 9% | 0.088 | 42% | 0.416 | C | S | . | . | trans | -98.8 | 155.6 | 165.9 | 68 | -97.9 | 0 | 0 | 0 | 111.3 | D690 I693 L694 T729 Y733 N785 L786 | D690-F731 HydrophobicContact CB-CZ 4.39Å; D690-F731 WeakPolarHBondContact OD1-CE2 3.41Å; I693-F731 HydrophobicContact CB-CE1 4.06Å; I693-F731 HydrophobicContact CB-CE2 4.1Å; I693-F731 HydrophobicContact CB-CZ 3.72Å; I693-F731 HydrophobicContact CG2-CD1 3.88Å; I693-F731 HydrophobicContact CG2-CD2 3.84Å; I693-F731 HydrophobicContact CG2-CE1 3.71Å; I693-F731 HydrophobicContact CG2-CE2 3.66Å; I693-F731 HydrophobicContact CG2-CG 3.96Å; I693-F731 HydrophobicContact CG2-CZ 3.6Å; L694-F731 HydrophobicContact CB-CE1 4.1Å; T729-F731 HydrophobicContact CG2-CD1 3.83Å; T729-F731 HydrophobicContact CG2-CE1 4.42Å; F731-Y733 HydrophobicContact CE2-CE2 4.09Å; F731-N785 CarbonylContact O-C 3.4Å; F731-N785 VanDerWaalsContact O-CA 3.26Å; F731-N785 WeakPolarHBondContact O-CA 3.44Å; F731-L786 HydrophobicContact CD1-CB 4.46Å; F731-L786 HydrophobicContact CD1-CD2 4.5Å; F731-L786 HydrophobicContact CE1-CB 4.01Å; F731-L786 HydrophobicContact CE1-CD2 3.48Å; F731-L786 VanDerWaalsContact CE1-CD2 3.48Å; F731-L786 HydrophobicContact CE1-CG 4.38Å; F731-L786 HydrophobicContact CE2-CB 4.29Å; F731-L786 HydrophobicContact CZ-CB 3.91Å; F731-L786 HydrophobicContact CZ-CD2 3.58Å; F731-L786 HydrophobicContact CZ-CG 4.4Å; F731-L786 PolarHBondContact O-N 2.9Å | ||
| 732 | G | 49.5 | Very low | 57 | Low | 30 Ų | 30 | 85.2 Ų | 85.2 | 31% | 0.309 | 44% | 0.442 | S | S | . | . | B | Isolated β-bridge | trans | -139.3 | 141.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | R734 | G732-R734 PolarHBondContact O-N 3Å; G732-R734 VanDerWaalsContact O-N 3.17Å |
| 733 | Y | 44.3 | Very low | 54 | Low | 59 Ų | 59 | 88.3 Ų | 88.3 | 23% | 0.231 | 48% | 0.476 | C | S | . | . | trans | -60.5 | 113.2 | -178.2 | -68.3 | -89.9 | 0 | 0 | 0 | 111.8 | Y689 D690 F731 F735 A783 | Y689-Y733 HydrophobicContact CD1-CE1 4.28Å; Y689-Y733 HydrophobicContact CE1-CE1 4.25Å; D690-Y733 VanDerWaalsContact OD1-CE2 3.32Å; D690-Y733 WeakPolarHBondContact OD1-CE2 3.4Å; D690-Y733 PolarHBondContact OD1-OH 3.04Å; F731-Y733 HydrophobicContact CE2-CE2 4.09Å; Y733-F735 PolarHBondContact O-N 2.84Å; Y733-A783 WeakPolarHBondContact O-CB 3.18Å | ||
| 734 | R | 35.7 | Very low | 51 | Low | 232 Ų | 232 | 95 Ų | 95 | 88% | 0.875 | 51% | 0.509 | S | S | * | . | trans | -95.5 | 82.4 | -179.6 | -162.4 | -178.4 | -158.3 | 172.4 | 6.8 | 110.1 | G732 Q736 | G732-R734 PolarHBondContact O-N 3Å; G732-R734 VanDerWaalsContact O-N 3.17Å; R734-Q736 PolarHBondContact O-N 2.88Å | ||
| 735 | F | 27.7 | Very low | 47.9 | Very low | 63 Ų | 63 | 98 Ų | 98 | 28% | 0.276 | 53% | 0.532 | S | S | . | . | trans | -55.4 | 121.5 | 176.7 | -64.1 | -82.2 | 0 | 0 | 0 | 111.2 | Y733 T737 D763 F766 | Y733-F735 PolarHBondContact O-N 2.84Å; F735-T737 PolarHBondContact O-N 2.81Å; F735-D763 WeakPolarHBondContact CD1-OD1 3.09Å; F735-F766 HydrophobicContact CZ-CB 4.49Å | ||
| 736 | Q | 30 | Very low | 44.9 | Very low | 180 Ų | 180 | 101.9 Ų | 101.9 | 84% | 0.841 | 56% | 0.561 | S | S | * | * | trans | -85.7 | 90.2 | 168 | -79.3 | -168.8 | -44 | 0 | 0 | 108.7 | R734 D738 | R734-Q736 PolarHBondContact O-N 2.88Å; Q736-D738 PolarHBondContact O-N 3.39Å; Q736-D738 VanDerWaalsContact O-N 3.17Å | ||
| 737 | T | 27.4 | Very low | 42.2 | Very low | 83 Ų | 83 | 110.2 Ų | 110.2 | 51% | 0.509 | 60% | 0.599 | S | S | . | * | trans | -63 | 115.4 | 168.7 | 55.2 | 0 | 0 | 0 | 0 | 109.3 | F735 N739 | F735-T737 PolarHBondContact O-N 2.81Å; T737-N739 PolarHBondContact O-N 2.93Å | ||
| 738 | D | 28.5 | Very low | 39.4 | Very low | 141 Ų | 141 | 115.8 Ų | 115.8 | 75% | 0.754 | 62% | 0.623 | S | S | * | * | trans | -72 | 85.4 | -174.4 | -122.6 | -28.1 | 0 | 0 | 0 | 111.7 | Q736 S740 | Q736-D738 PolarHBondContact O-N 3.39Å; Q736-D738 VanDerWaalsContact O-N 3.17Å; D738-S740 PolarHBondContact O-N 2.82Å | ||
| 739 | N | 28.2 | Very low | 36.8 | Very low | 155 Ų | 155 | 113.2 Ų | 113.2 | 83% | 0.829 | 62% | 0.623 | S | S | * | * | trans | -74.6 | 63.7 | 178.2 | -84.1 | -41.4 | 0 | 0 | 0 | 111.6 | T737 | T737-N739 PolarHBondContact O-N 2.93Š| ||
| 740 | S | 29 | Very low | 34.6 | Very low | 82 Ų | 82 | 120.5 Ų | 120.5 | 57% | 0.573 | 66% | 0.656 | S | S | * | * | trans | -141.2 | 35.1 | -176.4 | 67.5 | 0 | 0 | 0 | 0 | 116.1 | D738 | D738-S740 PolarHBondContact O-N 2.82Š| ||
| 741 | T | 29.8 | Very low | 32.7 | Very low | 148 Ų | 148 | 123.5 Ų | 123.5 | 91% | 0.908 | 67% | 0.672 | S | S | * | * | trans | -158.1 | 130.3 | 146.6 | 7.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 742 | T | 28 | Very low | 31.1 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 91% | 0.908 | 70% | 0.704 | S | S | * | * | trans | -97.6 | 114.5 | 169 | 50.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 743 | G | 29.4 | Very low | 30.2 | Very low | 74 Ų | 74 | 133.1 Ų | 133.1 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | trans | 179.8 | 90.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 744 | Q | 30 | Very low | 29.5 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | 10 | 122.6 | 150.4 | -66 | 173 | -35.4 | 0 | 0 | 121.5 | ||||
| 745 | S | 27.8 | Very low | 29.1 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 64.8 | 125.3 | 132.2 | 64.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 746 | S | 28.6 | Very low | 29.3 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 72.1 | 134.7 | 136.2 | 53.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 747 | E | 33.6 | Very low | 29.2 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | 70.9 | 86.3 | 148.2 | -67.9 | 179.1 | 177.5 | 0 | 0 | 121.5 | ||||
| 748 | I | 28.7 | Very low | 29.2 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | 57.9 | 131.3 | 109.8 | -66.1 | 173.2 | 0 | 0 | 0 | 120.6 | |||||
| 749 | N | 29.9 | Very low | 29.1 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 93.7 | 103.3 | 158.1 | -75.8 | -3.5 | 0 | 0 | 0 | 122.8 | ||||
| 750 | E | 29.7 | Very low | 29 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | 82.2 | 143.1 | 126.4 | -62.3 | -166.3 | 131.5 | 0 | 0 | 124.3 | |||||
| 751 | L | 29.6 | Very low | 28.9 | Very low | 164 Ų | 164 | 134 Ų | 134 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | 83.3 | 82.2 | 157.5 | -70.3 | 155.3 | 0 | 0 | 0 | 122.1 | ||||
| 752 | V | 28.3 | Very low | 28.8 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | trans | -27 | 149.7 | 138.7 | 163.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 753 | P | 29.9 | Very low | 28.8 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | cis | -136.8 | 169.1 | 31.5 | 30.8 | -8.5 | 0 | 0 | 0 | 118.8 | ||||
| 754 | G | 30.2 | Very low | 28.8 | Very low | 70 Ų | 70 | 128.5 Ų | 128.5 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | trans | 173.4 | 32.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 755 | I | 27.7 | Very low | 28.8 | Very low | 124 Ų | 124 | 120.6 Ų | 120.6 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | trans | -75.8 | 134.9 | -165.6 | -64.8 | 171.1 | 0 | 0 | 0 | 113.5 | D757 | I755-D757 HydrophobicContact CG2-CB 4.3Å; I755-D757 VanDerWaalsContact CG2-CG 3.42Å; I755-D757 WeakPolarHBondContact CG2-OD2 3.33Å | ||
| 756 | N | 30.8 | Very low | 28.8 | Very low | 165 Ų | 165 | 117.1 Ų | 117.1 | 88% | 0.882 | 67% | 0.672 | S | S | * | * | trans | -142.6 | 90 | 156.7 | -79.9 | -77.9 | 0 | 0 | 0 | 107.1 | ||||
| 757 | D | 27.8 | Very low | 28.9 | Very low | 107 Ų | 107 | 117 Ų | 117 | 57% | 0.572 | 66% | 0.66 | S | S | * | * | trans | -87.2 | 138.8 | -175.8 | -66.8 | -34.2 | 0 | 0 | 0 | 112.5 | I755 | I755-D757 HydrophobicContact CG2-CB 4.3Å; I755-D757 VanDerWaalsContact CG2-CG 3.42Å; I755-D757 WeakPolarHBondContact CG2-OD2 3.33Å | ||
| 758 | D | 27.2 | Very low | 28.8 | Very low | 165 Ų | 165 | 113.2 Ų | 113.2 | 88% | 0.882 | 65% | 0.645 | S | S | * | * | trans | -146.8 | 15.2 | 149.6 | -98.3 | -37.3 | 0 | 0 | 0 | 110.3 | ||||
| 759 | N | 27.5 | Very low | 28.9 | Very low | 161 Ų | 161 | 106.6 Ų | 106.6 | 86% | 0.861 | 61% | 0.613 | S | S | * | * | trans | -105.9 | 70.9 | -175.6 | -86.3 | 1.1 | 0 | 0 | 0 | 111.7 | G761 | N759-G761 VanDerWaalsContact C-N 3.35Å; N759-G761 PolarHBondContact O-N 3.08Å | ||
| 760 | F | 25.9 | Very low | 29.1 | Very low | 150 Ų | 150 | 101.4 Ų | 101.4 | 66% | 0.658 | 59% | 0.59 | S | S | * | * | trans | -80.9 | 80.8 | 170.6 | -96.2 | -80.3 | 0 | 0 | 0 | 111.8 | P604 | P604-F760 HydrophobicContact CB-CE1 4.17Å; P604-F760 HydrophobicContact CG-CD1 4.22Å; P604-F760 HydrophobicContact CG-CE1 3.76Å | ||
| 761 | G | 26.5 | Very low | 29.3 | Very low | 72 Ų | 72 | 98.1 Ų | 98.1 | 74% | 0.742 | 58% | 0.578 | S | S | * | * | trans | -72.9 | 125.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | N759 | N759-G761 VanDerWaalsContact C-N 3.35Å; N759-G761 PolarHBondContact O-N 3.08Å | ||
| 762 | V | 27.5 | Very low | 29.5 | Very low | 124 Ų | 124 | 99.3 Ų | 99.3 | 75% | 0.752 | 57% | 0.573 | S | S | * | * | trans | -106.6 | 95.8 | -176 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 763 | D | 29 | Very low | 30 | Very low | 76 Ų | 76 | 95.4 Ų | 95.4 | 41% | 0.406 | 54% | 0.544 | S | S | . | . | trans | -134.2 | 166.7 | -174.2 | -150.9 | -0.9 | 0 | 0 | 0 | 113.9 | F735 G765 | F735-D763 WeakPolarHBondContact CD1-OD1 3.09Å; D763-G765 PolarHBondContact O-N 2.73Å; D763-G765 VanDerWaalsContact O-N 3.16Å | ||
| 764 | A | 28.3 | Very low | 30 | Very low | 54 Ų | 54 | 92.4 Ų | 92.4 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | S | Bend | trans | 66.4 | 0.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||
| 765 | G | 29.6 | Very low | 30.2 | Very low | 19 Ų | 19 | 91.9 Ų | 91.9 | 20% | 0.196 | 52% | 0.517 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -59.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | D763 | D763-G765 PolarHBondContact O-N 2.73Å; D763-G765 VanDerWaalsContact O-N 3.16Å |
| 766 | F | 28.5 | Very low | 30.3 | Very low | 31 Ų | 31 | 96 Ų | 96 | 14% | 0.136 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -21.3 | -167.4 | -106.4 | -85.6 | 0 | 0 | 0 | 115.5 | L593 F735 L768 A769 | L593-F766 HydrophobicContact CD2-CZ 4.29Å; F735-F766 HydrophobicContact CZ-CB 4.49Å; F766-L768 PolarHBondContact O-N 2.79Å; F766-A769 PolarHBondContact O-N 2.93Å |
| 767 | Q | 30.8 | Very low | 30.3 | Very low | 100 Ų | 100 | 91 Ų | 91 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68 | -36.4 | -175.2 | -74.7 | -179.7 | -17.5 | 0 | 0 | 112.6 | A769 G770 D771 | Q767-A769 PolarHBondContact O-N 2.71Å; Q767-G770 PolarHBondContact O-N 2.66Å; Q767-D771 PolarHBondContact O-N 3.48Å |
| 768 | L | 31.1 | Very low | 30.5 | Very low | 95 Ų | 95 | 95.6 Ų | 95.6 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.7 | -29.6 | 179.3 | -78.4 | 164.2 | 0 | 0 | 0 | 113.4 | F766 Y772 | F766-L768 PolarHBondContact O-N 2.79Å; L768-Y772 WeakPolarHBondContact O-CB 3.5Å; L768-Y772 PolarHBondContact O-N 2.85Å; L768-Y772 VanDerWaalsContact O-N 3.09Å |
| 769 | A | 31.2 | Very low | 30.6 | Very low | 12 Ų | 12 | 90.6 Ų | 90.6 | 10% | 0.099 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V599 F766 Q767 Y772 Y773 | V599-A769 HydrophobicContact CG2-CB 4.2Å; F766-A769 PolarHBondContact O-N 2.93Å; Q767-A769 PolarHBondContact O-N 2.71Å; A769-Y772 PolarHBondContact O-N 2.85Å; A769-Y773 HydrophobicContact CB-CD2 4.35Å; A769-Y773 HydrophobicContact CB-CE2 4.15Å; A769-Y773 WeakPolarHBondContact O-CD2 3.48Å; A769-Y773 PolarHBondContact O-N 2.76Å |
| 770 | G | 34.1 | Very low | 30.9 | Very low | 22 Ų | 22 | 88.6 Ų | 88.6 | 23% | 0.227 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q767 Y773 G774 I775 | Q767-G770 PolarHBondContact O-N 2.66Å; G770-Y773 PolarHBondContact O-N 3.47Å; G770-G774 PolarHBondContact O-N 2.86Å; G770-I775 CarbonylContact O-C 3.58Å; G770-I775 PolarHBondContact O-N 3.12Å |
| 771 | D | 33.9 | Very low | 31.2 | Very low | 98 Ų | 98 | 84.3 Ų | 84.3 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 176.5 | -81.6 | -47.5 | 0 | 0 | 0 | 112.5 | Q767 Y773 G774 R776 | Q767-D771 PolarHBondContact O-N 3.48Å; D771-Y773 PolarHBondContact O-N 3.02Å; D771-G774 PolarHBondContact O-N 2.81Å; D771-R776 IonicContact OD1-NE 3.83Å |
| 772 | Y | 33.6 | Very low | 31.8 | Very low | 189 Ų | 189 | 84.1 Ų | 84.1 | 74% | 0.741 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.5 | -30.1 | 178.9 | -125.3 | -81.8 | 0 | 0 | 0 | 113.9 | L768 A769 | L768-Y772 WeakPolarHBondContact O-CB 3.5Å; L768-Y772 PolarHBondContact O-N 2.85Å; L768-Y772 VanDerWaalsContact O-N 3.09Å; A769-Y772 PolarHBondContact O-N 2.85Å |
| 773 | Y | 38.4 | Very low | 32.5 | Very low | 43 Ų | 43 | 79 Ų | 79 | 17% | 0.169 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 10.8 | 175.7 | -57.7 | -51.2 | 0 | 0 | 0 | 113.4 | G596 A769 G770 D771 I775 L800 T809 | G596-Y773 VanDerWaalsContact CA-OH 3.28Å; G596-Y773 WeakPolarHBondContact CA-OH 3Å; A769-Y773 HydrophobicContact CB-CD2 4.35Å; A769-Y773 HydrophobicContact CB-CE2 4.15Å; A769-Y773 WeakPolarHBondContact O-CD2 3.48Å; A769-Y773 PolarHBondContact O-N 2.76Å; G770-Y773 PolarHBondContact O-N 3.47Å; D771-Y773 PolarHBondContact O-N 3.02Å; Y773-I775 PolarHBondContact O-N 2.93Å; Y773-L800 HydrophobicContact CD1-CD2 4.49Å; Y773-L800 HydrophobicContact CE1-CD1 3.88Å; Y773-L800 HydrophobicContact CE1-CD2 4.43Å; Y773-L800 HydrophobicContact CE2-CD1 4.15Å; Y773-L800 WeakPolarHBondContact OH-CD1 3.06Å; Y773-T809 WeakPolarHBondContact CE1-OG1 3.33Å |
| 774 | G | 31.4 | Very low | 33.5 | Very low | 63 Ų | 63 | 75.7 Ų | 75.7 | 65% | 0.649 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 5.5 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | G770 D771 R776 | G770-G774 PolarHBondContact O-N 2.86Å; D771-G774 PolarHBondContact O-N 2.81Å; G774-R776 VanDerWaalsContact C-N 3.31Å; G774-R776 PolarHBondContact O-N 3.43Å |
| 775 | I | 34.1 | Very low | 35 | Very low | 60 Ų | 60 | 74.2 Ų | 74.2 | 31% | 0.308 | 41% | 0.412 | S | S | . | . | trans | -85.5 | 73.7 | -178.9 | -51.5 | 177.7 | 0 | 0 | 0 | 109.1 | G770 Y773 S777 Y798 | G770-I775 CarbonylContact O-C 3.58Å; G770-I775 PolarHBondContact O-N 3.12Å; Y773-I775 PolarHBondContact O-N 2.93Å; I775-S777 PolarHBondContact O-N 3.18Å; I775-Y798 HydrophobicContact CD1-CD1 4.44Å; I775-Y798 HydrophobicContact CD1-CE1 4.03Å | ||
| 776 | R | 29 | Very low | 37.1 | Very low | 210 Ų | 210 | 73.3 Ų | 73.3 | 79% | 0.792 | 40% | 0.403 | S | S | * | . | trans | -69.7 | 72.1 | 170.3 | -88.4 | -173.1 | 164.9 | -175.6 | -3.7 | 111.9 | D771 G774 Q778 | D771-R776 IonicContact OD1-NE 3.83Å; G774-R776 VanDerWaalsContact C-N 3.31Å; G774-R776 PolarHBondContact O-N 3.43Å; R776-Q778 PolarHBondContact O-N 2.86Å; R776-Q778 VanDerWaalsContact O-N 3.13Å | ||
| 777 | S | 30.7 | Very low | 39.3 | Very low | 61 Ų | 61 | 73 Ų | 73 | 43% | 0.427 | 40% | 0.4 | S | S | . | . | trans | -65.5 | 105 | 165.8 | 175.2 | 0 | 0 | 0 | 0 | 109.5 | I775 S779 | I775-S777 PolarHBondContact O-N 3.18Å; S777-S779 PolarHBondContact O-N 3.31Å; S777-S779 PolarHBondContact OG-N 3.24Å; S777-S779 PolarHBondContact OG-O 3.49Å | ||
| 778 | Q | 32.4 | Very low | 41.6 | Very low | 203 Ų | 203 | 69.4 Ų | 69.4 | 95% | 0.949 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -70.5 | 21.2 | 170.6 | -65.9 | -175.8 | -18.9 | 0 | 0 | 113.3 | R776 | R776-Q778 PolarHBondContact O-N 2.86Å; R776-Q778 VanDerWaalsContact O-N 3.13Å |
| 779 | S | 30 | Very low | 43.6 | Very low | 59 Ų | 59 | 67 Ų | 67 | 41% | 0.413 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -129 | 129.6 | 177.9 | -174 | 0 | 0 | 0 | 0 | 109.9 | S777 A781 | S777-S779 PolarHBondContact O-N 3.31Å; S777-S779 PolarHBondContact OG-N 3.24Å; S777-S779 PolarHBondContact OG-O 3.49Å; S779-A781 PolarHBondContact O-N 2.8Å |
| 780 | P | 32.6 | Very low | 45.5 | Very low | 119 Ų | 119 | 73.6 Ų | 73.6 | 77% | 0.773 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 15.1 | 176.3 | 31.6 | -36.2 | 0 | 0 | 0 | 113.5 | S782 | P780-S782 VanDerWaalsContact C-N 3.34Š|
| 781 | A | 33.4 | Very low | 47.3 | Very low | 61 Ų | 61 | 76.3 Ų | 76.3 | 50% | 0.504 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 2.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S779 A783 | S779-A781 PolarHBondContact O-N 2.8Å; A781-A783 PolarHBondContact O-N 3.29Å; A781-A783 VanDerWaalsContact O-N 3.16Å |
| 782 | S | 37.8 | Very low | 49.5 | Very low | 68 Ų | 68 | 72.3 Ų | 72.3 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | trans | -77.2 | 16.4 | -179 | 48.8 | 0 | 0 | 0 | 0 | 115 | P780 S784 | P780-S782 VanDerWaalsContact C-N 3.34Å; S782-S784 PolarHBondContact O-N 2.97Å | ||
| 783 | A | 42.7 | Very low | 51.6 | Low | 17 Ų | 17 | 63.8 Ų | 63.8 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -57.6 | 129.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y733 A781 N785 | Y733-A783 WeakPolarHBondContact O-CB 3.18Å; A781-A783 PolarHBondContact O-N 3.29Å; A781-A783 VanDerWaalsContact O-N 3.16Å; A783-N785 PolarHBondContact O-N 3.01Å; A783-N785 PolarHBondContact O-ND2 2.92Å |
| 784 | S | 50.1 | Low | 53.5 | Low | 6 Ų | 6 | 62.5 Ų | 62.5 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 128.1 | 173.9 | 94.4 | 0 | 0 | 0 | 0 | 108.3 | S782 R794 | S782-S784 PolarHBondContact O-N 2.97Å; S784-R794 PolarHBondContact OG-NH2 3.25Å |
| 785 | N | 59.9 | Low | 55.4 | Low | 23 Ų | 23 | 62.2 Ų | 62.2 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -101.1 | 120.5 | -179.6 | -59.5 | -108.8 | 0 | 0 | 0 | 106.4 | F731 A783 R787 K818 | F731-N785 CarbonylContact O-C 3.4Å; F731-N785 VanDerWaalsContact O-CA 3.26Å; F731-N785 WeakPolarHBondContact O-CA 3.44Å; A783-N785 PolarHBondContact O-N 3.01Å; A783-N785 PolarHBondContact O-ND2 2.92Å; N785-R787 HydrophobicContact CB-CG 4.25Å; N785-R787 WeakPolarHBondContact O-CG 3.26Å; N785-R787 PolarHBondContact O-N 2.91Å; N785-R787 VanDerWaalsContact O-N 3.15Å; N785-K818 PolarHBondContact ND2-NZ 3.35Å; N785-K818 VanDerWaalsContact ND2-NZ 3.16Å; N785-K818 PolarHBondContact OD1-NZ 2.98Å |
| 786 | L | 72.5 | Confident | 57 | Low | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 117.6 | 174.6 | -173.5 | 65.9 | 0 | 0 | 0 | 107.9 | T448 D690 L694 N730 F731 F788 R794 | T448-L786 HydrophobicContact CG2-CD1 4.28Å; T448-L786 HydrophobicContact CG2-CD2 4.18Å; D690-L786 HydrophobicContact CB-CD2 4.43Å; L694-L786 HydrophobicContact CB-CD2 3.99Å; L694-L786 HydrophobicContact CD1-CD2 4.07Å; L694-L786 HydrophobicContact CD2-CD2 4.14Å; L694-L786 HydrophobicContact CG-CD2 4.29Å; N730-L786 WeakPolarHBondContact CA-O 3.38Å; N730-L786 PolarHBondContact OD1-O 2.77Å; F731-L786 HydrophobicContact CD1-CB 4.46Å; F731-L786 HydrophobicContact CD1-CD2 4.5Å; F731-L786 HydrophobicContact CE1-CB 4.01Å; F731-L786 HydrophobicContact CE1-CD2 3.48Å; F731-L786 VanDerWaalsContact CE1-CD2 3.48Å; F731-L786 HydrophobicContact CE1-CG 4.38Å; F731-L786 HydrophobicContact CE2-CB 4.29Å; F731-L786 HydrophobicContact CZ-CB 3.91Å; F731-L786 HydrophobicContact CZ-CD2 3.58Å; F731-L786 HydrophobicContact CZ-CG 4.4Å; F731-L786 PolarHBondContact O-N 2.9Å; L786-F788 HydrophobicContact CD1-CZ 4.05Å; L786-F788 HydrophobicContact CD2-CE2 4.02Å; L786-F788 HydrophobicContact CD2-CZ 3.89Å; L786-F788 HydrophobicContact CG-CE2 3.92Å; L786-F788 HydrophobicContact CG-CZ 3.88Å; L786-R794 HydrophobicContact CD1-CB 4.24Å; L786-R794 HydrophobicContact CD1-CG 3.83Å |
| 787 | R | 75.3 | Confident | 58.5 | Low | 23 Ų | 23 | 50.8 Ų | 50.8 | 9% | 0.087 | 29% | 0.291 | C | S | . | . | trans | -136.6 | 145.3 | 175.6 | -35.4 | -158.3 | -168.5 | 114.1 | 34.7 | 109.8 | N730 N785 R794 I795 D797 S816 T817 | N730-R787 WeakPolarHBondContact OD1-CB 3.4Å; N730-R787 WeakPolarHBondContact OD1-CD 3.38Å; N730-R787 WeakPolarHBondContact OD1-CG 3.49Å; N785-R787 HydrophobicContact CB-CG 4.25Å; N785-R787 WeakPolarHBondContact O-CG 3.26Å; N785-R787 PolarHBondContact O-N 2.91Å; N785-R787 VanDerWaalsContact O-N 3.15Å; R787-R794 WeakPolarHBondContact O-CA 3.22Å; R787-I795 PolarHBondContact O-N 3.02Å; R787-D797 IonicContact NH2-OD1 2.64Å; R787-S816 PolarHBondContact NH1-OG 3.05Å; R787-S816 PolarHBondContact NH2-OG 3.09Å; R787-T817 VanDerWaalsContact NH1-N 3.18Å; R787-T817 PolarHBondContact NH1-OG1 3.36Å | ||
| 788 | F | 78.7 | Confident | 60 | Low | 25 Ų | 25 | 51.4 Ų | 51.4 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -106.9 | 151 | 179.6 | -63.9 | -77.1 | 0 | 0 | 0 | 111.9 | F446 L694 L786 N792 E793 | F446-F788 HydrophobicContact CB-CE1 4.31Å; F446-F788 HydrophobicContact CD1-CD1 4.2Å; F446-F788 HydrophobicContact CD1-CD2 4.48Å; F446-F788 HydrophobicContact CD1-CE1 4.34Å; F446-F788 HydrophobicContact CD1-CG 4.27Å; L694-F788 HydrophobicContact CD1-CE2 3.79Å; L694-F788 HydrophobicContact CD1-CZ 4.35Å; L694-F788 HydrophobicContact CD2-CE2 3.81Å; L694-F788 HydrophobicContact CD2-CZ 3.52Å; L694-F788 HydrophobicContact CG-CE2 4.45Å; L786-F788 HydrophobicContact CD1-CZ 4.05Å; L786-F788 HydrophobicContact CD2-CE2 4.02Å; L786-F788 HydrophobicContact CD2-CZ 3.89Å; L786-F788 HydrophobicContact CG-CE2 3.92Å; L786-F788 HydrophobicContact CG-CZ 3.88Å; F788-N792 VanDerWaalsContact CD1-O 3.26Å; F788-N792 WeakPolarHBondContact CD1-O 3.41Å; F788-E793 CarbonylContact C-O 3.51Å; F788-E793 VanDerWaalsContact CA-O 3.3Å; F788-E793 WeakPolarHBondContact CA-O 3.49Å |
| 789 | N | 72.9 | Confident | 61.9 | Low | 45 Ų | 45 | 41.7 Ų | 41.7 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | trans | -83.6 | 176.4 | 164.8 | 67.5 | 9 | 0 | 0 | 0 | 110.8 | H791 N792 E793 I795 | N789-H791 PolarHBondContact O-N 3.33Å; N789-H791 VanDerWaalsContact OD1-C 3.23Å; N789-H791 WeakPolarHBondContact OD1-CA 3.24Å; N789-H791 WeakPolarHBondContact OD1-CB 3.47Å; N789-H791 PolarHBondContact OD1-N 2.86Å; N789-N792 PolarHBondContact O-N 3.08Å; N789-N792 PolarHBondContact OD1-N 2.82Å; N789-N792 VanDerWaalsContact OD1-N 3.14Å; N789-E793 PolarHBondContact N-O 2.78Å; N789-E793 PolarHBondContact ND2-OE2 3.18Å; N789-E793 PolarHBondContact OD1-N 3.36Å; N789-E793 PolarHBondContact OD1-O 3.23Å; N789-I795 HydrophobicContact CB-CD1 4.28Å; N789-I795 HydrophobicContact CB-CG1 4.08Å | ||
| 790 | D | 73.1 | Confident | 63.8 | Low | 151 Ų | 151 | 39 Ų | 39 | 81% | 0.807 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -8 | 176.6 | -59 | -43.5 | 0 | 0 | 0 | 114.2 | ||
| 791 | H | 70.8 | Confident | 66 | Low | 79 Ų | 79 | 33.5 Ų | 33.5 | 37% | 0.366 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 13.4 | 177.9 | -52.8 | 106.5 | 0 | 0 | 0 | 112.7 | Q439 N789 E793 | Q439-H791 HydrophobicContact CB-CB 3.91Å; Q439-H791 HydrophobicContact CG-CB 4.46Å; Q439-H791 PolarHBondContact NE2-O 3.42Å; Q439-H791 VanDerWaalsContact OE1-CB 3.3Å; N789-H791 PolarHBondContact O-N 3.33Å; N789-H791 VanDerWaalsContact OD1-C 3.23Å; N789-H791 WeakPolarHBondContact OD1-CA 3.24Å; N789-H791 WeakPolarHBondContact OD1-CB 3.47Å; N789-H791 PolarHBondContact OD1-N 2.86Å; H791-E793 VanDerWaalsContact C-N 3.3Å; H791-E793 PolarHBondContact O-N 2.76Å |
| 792 | N | 80.8 | Confident | 68.1 | Low | 14 Ų | 14 | 31.1 Ų | 31.1 | 8% | 0.075 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 62.9 | 22.2 | 180 | -60 | -19.5 | 0 | 0 | 0 | 115.8 | H443 F445 F446 R447 F788 N789 | H443-N792 PolarHBondContact O-ND2 3.36Å; F445-N792 WeakPolarHBondContact O-CB 3.47Å; F445-N792 PolarHBondContact O-ND2 2.84Å; F446-N792 WeakPolarHBondContact CA-O 3.5Å; F446-N792 HydrophobicContact CD1-CB 3.5Å; F446-N792 VanDerWaalsContact CD1-CB 3.5Å; F446-N792 HydrophobicContact CE1-CB 3.74Å; F446-N792 VanDerWaalsContact CE1-OD1 3.27Å; F446-N792 WeakPolarHBondContact CE1-OD1 3.41Å; F446-N792 HydrophobicContact CG-CB 4.03Å; F446-N792 HydrophobicContact CZ-CB 4.49Å; R447-N792 PolarHBondContact N-O 2.79Å; F788-N792 VanDerWaalsContact CD1-O 3.26Å; F788-N792 WeakPolarHBondContact CD1-O 3.41Å; N789-N792 PolarHBondContact O-N 3.08Å; N789-N792 PolarHBondContact OD1-N 2.82Å; N789-N792 VanDerWaalsContact OD1-N 3.14Å |
| 793 | E | 76.7 | Confident | 70.1 | Confident | 10 Ų | 10 | 28.3 Ų | 28.3 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -97.7 | 142.7 | 174.8 | -49.4 | -175 | 117.6 | 0 | 0 | 111.8 | Q439 R447 S451 F788 N789 H791 I795 | Q439-E793 PolarHBondContact OE1-OE1 3.41Å; R447-E793 IonicContact CZ-OE1 2.73Å; R447-E793 IonicContact NH1-OE1 2.66Å; R447-E793 PolarHBondContact NH1-OE1 2.78Å; R447-E793 IonicContact NH2-OE1 2.71Å; R447-E793 PolarHBondContact NH2-OE1 3.37Å; S451-E793 VanDerWaalsContact CB-CD 3.48Å; S451-E793 WeakPolarHBondContact CB-OE1 3.49Å; S451-E793 WeakPolarHBondContact CB-OE2 3.38Å; S451-E793 PolarHBondContact OG-OE1 2.87Å; F788-E793 CarbonylContact C-O 3.51Å; F788-E793 VanDerWaalsContact CA-O 3.3Å; F788-E793 WeakPolarHBondContact CA-O 3.49Å; N789-E793 PolarHBondContact N-O 2.78Å; N789-E793 PolarHBondContact ND2-OE2 3.18Å; N789-E793 PolarHBondContact OD1-N 3.36Å; N789-E793 PolarHBondContact OD1-O 3.23Å; H791-E793 VanDerWaalsContact C-N 3.3Å; H791-E793 PolarHBondContact O-N 2.76Å; E793-I795 PolarHBondContact O-N 3.48Å |
| 794 | R | 77.8 | Confident | 71.6 | Confident | 16 Ų | 16 | 28.9 Ų | 28.9 | 6% | 0.06 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -60.8 | 125.6 | 172.7 | 179.9 | 177.8 | -166.2 | 158 | 9.1 | 111.4 | R447 T448 P450 Y687 D690 S784 L786 R787 A796 | R447-R794 WeakPolarHBondContact O-CB 3.42Å; R447-R794 PolarHBondContact O-N 2.78Å; T448-R794 WeakPolarHBondContact O-CD 3.47Å; T448-R794 PolarHBondContact O-NH1 2.75Å; P450-R794 WeakPolarHBondContact CA-O 3.38Å; P450-R794 WeakPolarHBondContact CB-O 3.46Å; P450-R794 HydrophobicContact CG-CB 4.34Å; P450-R794 HydrophobicContact CG-CG 4.22Å; Y687-R794 VanDerWaalsContact CD1-NH1 3.3Å; Y687-R794 VanDerWaalsContact CE1-NH1 3.32Å; D690-R794 IonicContact OD2-CZ 2.74Å; D690-R794 VanDerWaalsContact OD2-CZ 3.23Å; D690-R794 IonicContact OD2-NH1 3.55Å; D690-R794 PolarHBondContact OD2-NH1 3.3Å; D690-R794 IonicContact OD2-NH2 3.64Å; D690-R794 PolarHBondContact OD2-NH2 3.06Å; S784-R794 PolarHBondContact OG-NH2 3.25Å; L786-R794 HydrophobicContact CD1-CB 4.24Å; L786-R794 HydrophobicContact CD1-CG 3.83Å; R787-R794 WeakPolarHBondContact O-CA 3.22Å; R794-A796 PolarHBondContact O-N 3.42Å |
| 795 | I | 72.8 | Confident | 72.4 | Confident | 57 Ų | 57 | 32.9 Ų | 32.9 | 29% | 0.292 | 16% | 0.158 | S | C | . | . | P | Polyproline II helix | trans | -73.5 | 120.6 | 168.1 | -57.4 | 172.9 | 0 | 0 | 0 | 108.1 | R787 N789 E793 | R787-I795 PolarHBondContact O-N 3.02Å; N789-I795 HydrophobicContact CB-CD1 4.28Å; N789-I795 HydrophobicContact CB-CG1 4.08Å; E793-I795 PolarHBondContact O-N 3.48Å |
| 796 | A | 67.2 | Low | 72.6 | Confident | 10 Ų | 10 | 34.7 Ų | 34.7 | 8% | 0.083 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 123.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | P450 H591 R794 Y798 | P450-A796 HydrophobicContact CB-CB 3.96Å; P450-A796 HydrophobicContact CG-CB 3.82Å; H591-A796 HydrophobicContact CB-CB 3.98Å; R794-A796 PolarHBondContact O-N 3.42Å; A796-Y798 PolarHBondContact O-N 3.02Å |
| 797 | D | 61.3 | Low | 72.1 | Confident | 20 Ų | 20 | 39.4 Ų | 39.4 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -62 | -29.5 | 175.1 | -75.7 | -60.1 | 0 | 0 | 0 | 112.1 | R787 S816 | R787-D797 IonicContact NH2-OD1 2.64Å; D797-S816 VanDerWaalsContact OD1-CB 3.23Å; D797-S816 WeakPolarHBondContact OD1-CB 3Å; D797-S816 PolarHBondContact OD1-OG 3.09Å |
| 798 | Y | 61.8 | Low | 71.4 | Confident | 73 Ų | 73 | 41 Ų | 41 | 29% | 0.286 | 21% | 0.205 | S | C | . | . | trans | -146.8 | 139.6 | -179.7 | -57.8 | -78.1 | 0 | 0 | 0 | 113.5 | Q592 I775 A796 I813 | Q592-Y798 PolarHBondContact N-O 3.02Å; I775-Y798 HydrophobicContact CD1-CD1 4.44Å; I775-Y798 HydrophobicContact CD1-CE1 4.03Å; A796-Y798 PolarHBondContact O-N 3.02Å; Y798-I813 HydrophobicContact CD1-CG1 4.15Å; Y798-I813 HydrophobicContact CD1-CG2 4.38Å; Y798-I813 HydrophobicContact CE1-CG1 4.25Å; Y798-I813 HydrophobicContact CE1-CG2 4.14Å | ||
| 799 | W | 70.9 | Confident | 70.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 157.7 | 165.5 | -71.9 | 80.2 | 0 | 0 | 0 | 110.8 | S451 M452 L454 A455 I458 V589 H591 I812 M814 | S451-W799 WeakPolarHBondContact O-CH2 3.42Å; M452-W799 HydrophobicContact CE-CZ3 4.46Å; M452-W799 HydrophobicContact SD-CH2 4.31Å; M452-W799 HydrophobicContact SD-CZ3 4.32Å; L454-W799 HydrophobicContact CB-CH2 3.99Å; L454-W799 HydrophobicContact CB-CZ2 3.52Å; L454-W799 HydrophobicContact CD2-CZ2 4.43Å; L454-W799 HydrophobicContact CG-CZ2 4.45Å; A455-W799 HydrophobicContact CB-CZ3 4.09Å; I458-W799 HydrophobicContact CD1-CB 3.65Å; I458-W799 HydrophobicContact CD1-CD2 3.48Å; I458-W799 VanDerWaalsContact CD1-CD2 3.48Å; I458-W799 HydrophobicContact CD1-CE3 3.65Å; I458-W799 HydrophobicContact CD1-CG 3.46Å; I458-W799 VanDerWaalsContact CD1-CG 3.46Å; V589-W799 HydrophobicContact CG1-CE3 4.29Å; H591-W799 HydrophobicContact CB-CD2 4.34Å; H591-W799 HydrophobicContact CB-CE3 4.49Å; W799-I812 HydrophobicContact CB-CB 4.12Å; W799-I812 HydrophobicContact CB-CG2 4.48Å; W799-I812 PolarHBondContact N-O 3.44Å; W799-I812 VanDerWaalsContact N-O 3.14Å; W799-I812 WeakPolarHBondContact O-CA 3.36Å; W799-I812 PolarHBondContact O-N 3.33Å; W799-M814 HydrophobicContact CG-SD 4.39Å |
| 800 | L | 71.4 | Confident | 70.2 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 143.7 | -176.9 | -59 | 177.6 | 0 | 0 | 0 | 110.3 | V589 G590 Q592 I595 Y773 T809 V810 P811 | V589-L800 WeakPolarHBondContact CA-O 3.5Å; G590-L800 PolarHBondContact N-O 3.25Å; G590-L800 VanDerWaalsContact N-O 3.16Å; G590-L800 PolarHBondContact O-N 3.11Å; Q592-L800 HydrophobicContact CB-CD1 4.48Å; I595-L800 HydrophobicContact CB-CB 4.42Å; I595-L800 HydrophobicContact CB-CD1 4.1Å; I595-L800 HydrophobicContact CD1-CB 4.21Å; I595-L800 WeakPolarHBondContact CD1-O 3.41Å; I595-L800 HydrophobicContact CG2-CB 3.9Å; I595-L800 HydrophobicContact CG2-CD1 3.59Å; I595-L800 HydrophobicContact CG2-CG 4.4Å; Y773-L800 HydrophobicContact CD1-CD2 4.49Å; Y773-L800 HydrophobicContact CE1-CD1 3.88Å; Y773-L800 HydrophobicContact CE1-CD2 4.43Å; Y773-L800 HydrophobicContact CE2-CD1 4.15Å; Y773-L800 WeakPolarHBondContact OH-CD1 3.06Å; L800-T809 HydrophobicContact CB-CG2 4.16Å; L800-T809 HydrophobicContact CD1-CG2 4.22Å; L800-V810 WeakPolarHBondContact CA-O 3.05Å; L800-P811 HydrophobicContact CD2-CB 4.15Å |
| 801 | L | 78.3 | Confident | 69.6 | Low | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 110.9 | 164.9 | 171 | 68.8 | 0 | 0 | 0 | 108.5 | L462 W466 F554 F587 T588 V589 T809 V810 I812 V875 | L462-L801 HydrophobicContact CD1-CD1 4.27Å; L462-L801 HydrophobicContact CD1-CD2 4.26Å; L462-L801 HydrophobicContact CD2-CD2 4.41Å; W466-L801 HydrophobicContact CH2-CD2 4.02Å; W466-L801 HydrophobicContact CZ2-CD2 4.33Å; F554-L801 HydrophobicContact CE1-CD1 4.34Å; F587-L801 HydrophobicContact CB-CD1 4.35Å; F587-L801 HydrophobicContact CD1-CD1 4.15Å; T588-L801 CarbonylContact O-C 3.56Å; T588-L801 WeakPolarHBondContact O-CA 3.29Å; V589-L801 HydrophobicContact CG2-CD1 3.68Å; L801-T809 CarbonylContact O-C 3.53Å; L801-T809 WeakPolarHBondContact O-CA 3.4Å; L801-V810 HydrophobicContact CB-CB 4.42Å; L801-V810 PolarHBondContact N-O 3.33Å; L801-V810 PolarHBondContact O-N 3.17Å; L801-I812 HydrophobicContact CB-CD1 4.05Å; L801-V875 HydrophobicContact CD2-CG2 4.01Å |
| 802 | K | 78.1 | Confident | 69.1 | Low | 10 Ų | 10 | 31.6 Ų | 31.6 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.8 | 178.4 | -172.7 | 178.4 | -172 | 179.4 | 0 | 110.6 | D561 F587 T588 I595 N807 T808 T809 | D561-K802 IonicContact OD1-NZ 3.92Å; D561-K802 PolarHBondContact OD1-NZ 3.17Å; D561-K802 IonicContact OD2-NZ 3.76Å; D561-K802 PolarHBondContact OD2-NZ 3.45Å; F587-K802 CarbonylContact C-O 3.57Å; F587-K802 VanDerWaalsContact CA-O 3.31Å; F587-K802 WeakPolarHBondContact CA-O 3.48Å; T588-K802 PolarHBondContact N-O 3.33Å; T588-K802 PolarHBondContact O-N 3.11Å; I595-K802 HydrophobicContact CD1-CB 4.36Å; I595-K802 HydrophobicContact CG2-CB 4.02Å; I595-K802 HydrophobicContact CG2-CD 4.26Å; K802-N807 VanDerWaalsContact CE-OD1 3.29Å; K802-N807 WeakPolarHBondContact CE-OD1 3.4Å; K802-T808 WeakPolarHBondContact CA-O 3.44Å; K802-T809 HydrophobicContact CB-CG2 3.7Å; K802-T809 HydrophobicContact CG-CG2 3.99Å |
| 803 | Q | 79.6 | Confident | 67.8 | Low | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 107.3 | 166.9 | -173.7 | 177.1 | 13.7 | 0 | 0 | 108.2 | F587 H805 L806 N807 T808 N876 | F587-Q803 HydrophobicContact CD1-CB 4.04Å; F587-Q803 HydrophobicContact CD1-CG 4.17Å; F587-Q803 HydrophobicContact CE1-CB 3.8Å; F587-Q803 HydrophobicContact CE1-CG 3.6Å; F587-Q803 HydrophobicContact CZ-CG 3.86Å; Q803-H805 VanDerWaalsContact C-N 3.3Å; Q803-H805 PolarHBondContact O-N 2.79Å; Q803-L806 PolarHBondContact O-N 2.89Å; Q803-N807 PolarHBondContact O-N 2.82Å; Q803-T808 PolarHBondContact N-O 3.08Å; Q803-T808 PolarHBondContact O-N 3.33Å; Q803-N876 PolarHBondContact NE2-O 3.17Å |
| 804 | R | 73.5 | Confident | 66.5 | Low | 29 Ų | 29 | 34.7 Ų | 34.7 | 11% | 0.109 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -62.3 | -32.5 | -166.5 | -67 | -161.6 | -169.8 | -121.4 | 5.8 | 113.6 | L559 S560 D561 T583 S584 T586 L806 N807 | L559-R804 VanDerWaalsContact O-CZ 3.26Å; L559-R804 PolarHBondContact O-NH1 3.46Å; L559-R804 PolarHBondContact O-NH2 2.86Å; S560-R804 PolarHBondContact O-NH1 2.82Å; D561-R804 IonicContact OD1-NH1 3.9Å; T583-R804 VanDerWaalsContact O-CB 3.25Å; T583-R804 WeakPolarHBondContact O-CB 3.39Å; S584-R804 CarbonylContact O-C 3.58Å; T586-R804 PolarHBondContact O-N 3.23Å; T586-R804 WeakPolarHBondContact OG1-CD 3.44Å; R804-L806 VanDerWaalsContact C-N 3.32Å; R804-L806 PolarHBondContact O-N 3.41Å; R804-N807 PolarHBondContact O-N 2.89Å |
| 805 | H | 67.7 | Low | 64.8 | Low | 89 Ų | 89 | 39.3 Ų | 39.3 | 41% | 0.412 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -59.5 | -40.7 | -176.2 | -175.3 | -82.6 | 0 | 0 | 0 | 112.8 | S584 W585 Q803 H878 | S584-H805 VanDerWaalsContact O-CA 3.24Å; S584-H805 WeakPolarHBondContact O-CA 3.48Å; S584-H805 VanDerWaalsContact O-CB 3.23Å; S584-H805 WeakPolarHBondContact O-CB 3.34Å; S584-H805 PolarHBondContact O-N 3.02Å; S584-H805 PolarHBondContact OG-CD2 3.26Å; W585-H805 AromaticContact CD1-CD2 3.99Å; Q803-H805 VanDerWaalsContact C-N 3.3Å; Q803-H805 PolarHBondContact O-N 2.79Å; H805-H878 AromaticContact CE1-NE2 3.83Å; H805-H878 AromaticContact ND1-NE2 3.88Å |
| 806 | L | 63.4 | Low | 63.2 | Low | 62 Ų | 62 | 37.9 Ų | 37.9 | 33% | 0.325 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -105.9 | 4.7 | -172.8 | -59.3 | 172.4 | 0 | 0 | 0 | 112 | Q803 R804 T808 N876 | Q803-L806 PolarHBondContact O-N 2.89Å; R804-L806 VanDerWaalsContact C-N 3.32Å; R804-L806 PolarHBondContact O-N 3.41Å; L806-T808 VanDerWaalsContact CB-OG1 3.23Å; L806-T808 WeakPolarHBondContact CB-OG1 3.38Å; L806-T808 PolarHBondContact O-N 2.04Å; L806-T808 PolarHBondContact O-OG1 2.97Å; L806-N876 HydrophobicContact CD1-CB 3.52Å; L806-N876 WeakPolarHBondContact CD1-ND2 3.28Å |
| 807 | N | 61.7 | Low | 61.9 | Low | 99 Ų | 99 | 41.8 Ų | 41.8 | 53% | 0.529 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 24 | -168.3 | -145.2 | 15.6 | 0 | 0 | 0 | 113.6 | K802 Q803 R804 | K802-N807 VanDerWaalsContact CE-OD1 3.29Å; K802-N807 WeakPolarHBondContact CE-OD1 3.4Å; Q803-N807 PolarHBondContact O-N 2.82Å; R804-N807 PolarHBondContact O-N 2.89Å |
| 808 | T | 60.9 | Low | 60.9 | Low | 56 Ų | 56 | 45.4 Ų | 45.4 | 34% | 0.344 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 136.2 | -171.3 | -60.5 | 0 | 0 | 0 | 0 | 109.2 | K802 Q803 L806 | K802-T808 WeakPolarHBondContact CA-O 3.44Å; Q803-T808 PolarHBondContact N-O 3.08Å; Q803-T808 PolarHBondContact O-N 3.33Å; L806-T808 VanDerWaalsContact CB-OG1 3.23Å; L806-T808 WeakPolarHBondContact CB-OG1 3.38Å; L806-T808 PolarHBondContact O-N 2.04Å; L806-T808 PolarHBondContact O-OG1 2.97Å |
| 809 | T | 61.6 | Low | 59.6 | Low | 35 Ų | 35 | 46.7 Ų | 46.7 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 119.2 | 176.7 | 18.9 | 0 | 0 | 0 | 0 | 109.6 | I595 Y773 L800 L801 K802 | I595-T809 HydrophobicContact CG2-CG2 3.5Å; Y773-T809 WeakPolarHBondContact CE1-OG1 3.33Å; L800-T809 HydrophobicContact CB-CG2 4.16Å; L800-T809 HydrophobicContact CD1-CG2 4.22Å; L801-T809 CarbonylContact O-C 3.53Å; L801-T809 WeakPolarHBondContact O-CA 3.4Å; K802-T809 HydrophobicContact CB-CG2 3.7Å; K802-T809 HydrophobicContact CG-CG2 3.99Å |
| 810 | V | 64.4 | Low | 57.9 | Low | 12 Ų | 12 | 52.9 Ų | 52.9 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 120.4 | 174.1 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | L800 L801 I812 L872 V875 | L800-V810 WeakPolarHBondContact CA-O 3.05Å; L801-V810 HydrophobicContact CB-CB 4.42Å; L801-V810 PolarHBondContact N-O 3.33Å; L801-V810 PolarHBondContact O-N 3.17Å; V810-I812 PolarHBondContact O-N 2.84Å; V810-L872 HydrophobicContact CG1-CD2 4.33Å; V810-V875 HydrophobicContact CG2-CG2 4.12Å |
| 811 | P | 60.3 | Low | 56.3 | Low | 48 Ų | 48 | 61 Ų | 61 | 31% | 0.312 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 119.8 | -179.1 | 29.9 | -33.3 | 0 | 0 | 0 | 111.7 | L800 | L800-P811 HydrophobicContact CD2-CB 4.15Å |
| 812 | I | 60.4 | Low | 54.1 | Low | 7 Ų | 7 | 70.1 Ų | 70.1 | 4% | 0.036 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 94.6 | 175.5 | -59.5 | -179.7 | 0 | 0 | 0 | 107.2 | I458 W799 L801 V810 M814 M867 | I458-I812 HydrophobicContact CG2-CD1 3.53Å; W799-I812 HydrophobicContact CB-CB 4.12Å; W799-I812 HydrophobicContact CB-CG2 4.48Å; W799-I812 PolarHBondContact N-O 3.44Å; W799-I812 VanDerWaalsContact N-O 3.14Å; W799-I812 WeakPolarHBondContact O-CA 3.36Å; W799-I812 PolarHBondContact O-N 3.33Å; L801-I812 HydrophobicContact CB-CD1 4.05Å; V810-I812 PolarHBondContact O-N 2.84Å; I812-M814 PolarHBondContact O-N 2.81Å; I812-M814 VanDerWaalsContact O-N 3.14Å; I812-M867 HydrophobicContact CG2-CE 3.9Å; I812-M867 HydrophobicContact CG2-SD 3.99Å |
| 813 | I | 53.1 | Low | 52 | Low | 55 Ų | 55 | 75.1 Ų | 75.1 | 28% | 0.282 | 37% | 0.374 | S | S | . | . | trans | -80 | 96.9 | -175.4 | -54.9 | 179.6 | 0 | 0 | 0 | 109.7 | Y798 | Y798-I813 HydrophobicContact CD1-CG1 4.15Å; Y798-I813 HydrophobicContact CD1-CG2 4.38Å; Y798-I813 HydrophobicContact CE1-CG1 4.25Å; Y798-I813 HydrophobicContact CE1-CG2 4.14Å | ||
| 814 | M | 51.2 | Low | 49.6 | Very low | 35 Ų | 35 | 83.1 Ų | 83.1 | 17% | 0.172 | 41% | 0.411 | C | S | . | . | trans | -74.3 | 154.7 | 157.4 | -79 | 173.7 | 33 | 0 | 0 | 110.5 | L454 W799 I812 S816 | L454-M814 HydrophobicContact CD2-CE 3.53Å; L454-M814 HydrophobicContact CD2-SD 3.97Å; W799-M814 HydrophobicContact CG-SD 4.39Å; I812-M814 PolarHBondContact O-N 2.81Å; I812-M814 VanDerWaalsContact O-N 3.14Å; M814-S816 PolarHBondContact O-N 3.33Å | ||
| 815 | W | 41.5 | Very low | 47.6 | Very low | 113 Ų | 113 | 90.9 Ų | 90.9 | 43% | 0.428 | 45% | 0.448 | S | S | . | . | trans | -74.9 | 111.5 | -176 | -84.7 | 61 | 0 | 0 | 0 | 112.6 | N819 | W815-N819 HydrophobicContact CZ3-CB 4.16Š| ||
| 816 | S | 40.1 | Very low | 45.9 | Very low | 27 Ų | 27 | 94.9 Ų | 94.9 | 19% | 0.189 | 47% | 0.467 | C | S | . | . | trans | -67.9 | 127.6 | 155.5 | -161.8 | 0 | 0 | 0 | 0 | 109.1 | R787 D797 M814 K818 | R787-S816 PolarHBondContact NH1-OG 3.05Å; R787-S816 PolarHBondContact NH2-OG 3.09Å; D797-S816 VanDerWaalsContact OD1-CB 3.23Å; D797-S816 WeakPolarHBondContact OD1-CB 3Å; D797-S816 PolarHBondContact OD1-OG 3.09Å; M814-S816 PolarHBondContact O-N 3.33Å; S816-K818 PolarHBondContact O-N 2.88Å | ||
| 817 | T | 39 | Very low | 44.4 | Very low | 92 Ų | 92 | 100.1 Ų | 100.1 | 56% | 0.564 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -61.8 | -8.7 | -173.4 | 49.6 | 0 | 0 | 0 | 0 | 116.2 | R787 N819 Y820 | R787-T817 VanDerWaalsContact NH1-N 3.18Å; R787-T817 PolarHBondContact NH1-OG1 3.36Å; T817-N819 PolarHBondContact O-N 3.34Å; T817-N819 VanDerWaalsContact O-N 3.1Å; T817-Y820 PolarHBondContact O-N 2.68Å |
| 818 | K | 39.1 | Very low | 43 | Very low | 96 Ų | 96 | 103.8 Ų | 103.8 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -65.4 | -10.8 | -174.6 | -93.3 | -173.2 | 176.1 | 178.4 | 0 | 116.2 | N785 S816 Y820 | N785-K818 PolarHBondContact ND2-NZ 3.35Å; N785-K818 VanDerWaalsContact ND2-NZ 3.16Å; N785-K818 PolarHBondContact OD1-NZ 2.98Å; S816-K818 PolarHBondContact O-N 2.88Å; K818-Y820 VanDerWaalsContact C-N 3.26Å; K818-Y820 PolarHBondContact O-N 2.86Å |
| 819 | N | 36 | Very low | 41.6 | Very low | 100 Ų | 100 | 109.4 Ų | 109.4 | 54% | 0.535 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -73.8 | -14 | 177.2 | -75 | -0.2 | 0 | 0 | 0 | 113.7 | W815 T817 E821 | W815-N819 HydrophobicContact CZ3-CB 4.16Å; T817-N819 PolarHBondContact O-N 3.34Å; T817-N819 VanDerWaalsContact O-N 3.1Å; N819-E821 PolarHBondContact O-N 3.4Å |
| 820 | Y | 34.5 | Very low | 40.2 | Very low | 129 Ų | 129 | 116.1 Ų | 116.1 | 51% | 0.506 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -74.3 | -22 | -175.4 | -122.3 | -96.5 | 0 | 0 | 0 | 114.4 | T817 K818 K822 F836 | T817-Y820 PolarHBondContact O-N 2.68Å; K818-Y820 VanDerWaalsContact C-N 3.26Å; K818-Y820 PolarHBondContact O-N 2.86Å; Y820-K822 PolarHBondContact O-N 3.45Å; Y820-F836 HydrophobicContact CE1-CB 4.49Å; Y820-F836 HydrophobicContact CE2-CD2 4.5Å; Y820-F836 WeakPolarHBondContact OH-CD2 3.33Å |
| 821 | E | 37.5 | Very low | 38.4 | Very low | 174 Ų | 174 | 124.4 Ų | 124.4 | 81% | 0.813 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -91 | 8.8 | -174 | -63.5 | -176.4 | 136.7 | 0 | 0 | 114.5 | N819 | N819-E821 PolarHBondContact O-N 3.4Š|
| 822 | K | 33.5 | Very low | 36.8 | Very low | 194 Ų | 194 | 127 Ų | 127 | 84% | 0.843 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -137.7 | 15.8 | -172.7 | -83.4 | -160.2 | 170.5 | -167.4 | 0 | 117.3 | Y820 | Y820-K822 PolarHBondContact O-N 3.45Š|
| 823 | V | 32.1 | Very low | 35.2 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 70% | 0.697 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -112.6 | -16.2 | -179.2 | -174.4 | 0 | 0 | 0 | 0 | 113.3 | E825 | V823-E825 PolarHBondContact O-N 2.96Š|
| 824 | H | 31 | Very low | 34.1 | Very low | 179 Ų | 179 | 138.9 Ų | 138.9 | 83% | 0.829 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 86.4 | 175.7 | -78.6 | -61.5 | 0 | 0 | 0 | 112.9 | ||
| 825 | E | 31.6 | Very low | 33 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 90% | 0.897 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.8 | -24 | 156.5 | -145.2 | 166.2 | -152.3 | 0 | 0 | 114.6 | V823 | V823-E825 PolarHBondContact O-N 2.96Š|
| 826 | Q | 30.2 | Very low | 32.6 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 81% | 0.808 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -138.8 | 93 | 179.3 | -66.5 | -176.1 | -9.4 | 0 | 0 | 112.3 | ||
| 827 | D | 33.5 | Very low | 32.3 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 91% | 0.914 | 71% | 0.712 | S | S | * | * | -179.5 | 153.1 | 124.5 | -94.7 | -24.5 | 0 | 0 | 0 | 110.6 | |||||
| 828 | Q | 31.5 | Very low | 32 | Very low | 176 Ų | 176 | 150 Ų | 150 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | -124 | 158.2 | -179.2 | -69.1 | -173.1 | -4.2 | 0 | 0 | 111.8 | ||||
| 829 | Q | 31.3 | Very low | 31.7 | Very low | 174 Ų | 174 | 153.3 Ų | 153.3 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | 90.4 | 143 | 167.1 | -48.9 | -174.9 | 13.2 | 0 | 0 | 117.5 | ||||
| 830 | Q | 31.9 | Very low | 31.4 | Very low | 176 Ų | 176 | 155.5 Ų | 155.5 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | 63.5 | 93.6 | 166.3 | -65.4 | -176.5 | -17.4 | 0 | 0 | 119.7 | ||||
| 831 | Q | 27.5 | Very low | 31.2 | Very low | 186 Ų | 186 | 154.2 Ų | 154.2 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | trans | 57.7 | 132 | 138.6 | -69.7 | 180 | -34.6 | 0 | 0 | 121.5 | ||||
| 832 | S | 26.5 | Very low | 30.9 | Very low | 102 Ų | 102 | 149.7 Ų | 149.7 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 96.7 | 144.7 | 158.9 | 83.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 833 | Y | 27.1 | Very low | 30.7 | Very low | 209 Ų | 209 | 142.9 Ų | 142.9 | 82% | 0.82 | 73% | 0.725 | S | S | * | * | trans | 54.2 | 92.8 | 170.6 | -65.2 | -77.8 | 0 | 0 | 0 | 119.5 | ||||
| 834 | D | 28.9 | Very low | 30.6 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 56% | 0.556 | 72% | 0.719 | S | S | * | * | trans | -105.1 | 105.8 | 148 | 178.4 | -14.4 | 0 | 0 | 0 | 108.7 | F836 N837 | D834-F836 PolarHBondContact OD1-N 3.46Å; D834-N837 PolarHBondContact OD1-N 2.81Å; D834-N837 VanDerWaalsContact OD1-N 3.08Å; D834-N837 WeakPolarHBondContact OD2-CB 3.4Å; D834-N837 PolarHBondContact OD2-ND2 3.25Å | ||
| 835 | P | 29.6 | Very low | 30.6 | Very low | 88 Ų | 88 | 140.7 Ų | 140.7 | 57% | 0.571 | 71% | 0.712 | S | S | * | * | trans | -93.9 | -3.3 | -179.1 | -7 | 27.2 | 0 | 0 | 0 | 114.9 | ||||
| 836 | F | 32.1 | Very low | 30.5 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 45% | 0.447 | 70% | 0.702 | S | S | . | * | S | Bend | trans | -120.7 | -21 | -165.3 | -90.6 | -90.3 | 0 | 0 | 0 | 115.7 | Y820 D834 H838 | Y820-F836 HydrophobicContact CE1-CB 4.49Å; Y820-F836 HydrophobicContact CE2-CD2 4.5Å; Y820-F836 WeakPolarHBondContact OH-CD2 3.33Å; D834-F836 PolarHBondContact OD1-N 3.46Å; F836-H838 PolarHBondContact O-N 2.9Å |
| 837 | N | 34.6 | Very low | 30.7 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 1.6 | 178.2 | -78.9 | -50.2 | 0 | 0 | 0 | 115.5 | D834 | D834-N837 PolarHBondContact OD1-N 2.81Å; D834-N837 VanDerWaalsContact OD1-N 3.08Å; D834-N837 WeakPolarHBondContact OD2-CB 3.4Å; D834-N837 PolarHBondContact OD2-ND2 3.25Å |
| 838 | H | 33.3 | Very low | 30.6 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 83% | 0.829 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -0.1 | -177.6 | -119.9 | -54.6 | 0 | 0 | 0 | 115.8 | F836 | F836-H838 PolarHBondContact O-N 2.9Š|
| 839 | M | 31.4 | Very low | 30.6 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -99 | 4.7 | -179.8 | -147.1 | 162.3 | -178 | 0 | 0 | 113.6 | ||
| 840 | I | 30.5 | Very low | 30.7 | Very low | 146 Ų | 146 | 129 Ų | 129 | 75% | 0.749 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -125.6 | 134.8 | 173.5 | -60.1 | 178.9 | 0 | 0 | 0 | 108.6 | ||
| 841 | S | 29.2 | Very low | 30.9 | Very low | 102 Ų | 102 | 126 Ų | 126 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 77.2 | 148.1 | -179.7 | -157.4 | 0 | 0 | 0 | 0 | 117.3 | ||
| 842 | S | 32.3 | Very low | 31.5 | Very low | 79 Ų | 79 | 123.2 Ų | 123.2 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | trans | 64 | 89.2 | 171.5 | 57.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 843 | N | 29.6 | Very low | 32.4 | Very low | 52 Ų | 52 | 123.1 Ų | 123.1 | 28% | 0.278 | 62% | 0.623 | S | S | . | * | 38.1 | 116 | 113.6 | -23 | -30.4 | 0 | 0 | 0 | 116.2 | L1591 Q1592 | N843-L1591 VanDerWaalsContact CB-O 3.27Å; N843-L1591 WeakPolarHBondContact CB-O 3.48Å; N843-L1591 VanDerWaalsContact CG-C 3.47Å; N843-L1591 WeakPolarHBondContact OD1-CB 3.05Å; N843-L1591 PolarHBondContact OD1-O 3.18Å; N843-L1591 VanDerWaalsContact OD1-O 3.1Å; N843-Q1592 HydrophobicContact CB-CB 4.13Å; N843-Q1592 HydrophobicContact CB-CG 3.96Å | |||
| 844 | N | 29.9 | Very low | 33.2 | Very low | 108 Ų | 108 | 117.8 Ų | 117.8 | 58% | 0.578 | 61% | 0.612 | S | S | * | * | trans | 166.6 | -22.8 | -174.3 | -63.8 | -16.7 | 0 | 0 | 0 | 116.4 | Q1592 | N844-Q1592 PolarHBondContact ND2-NE2 3.16Å; N844-Q1592 PolarHBondContact ND2-OE1 2.81Å; N844-Q1592 PolarHBondContact OD1-NE2 3.47Å; N844-Q1592 PolarHBondContact OD1-OE1 2.76Å | ||
| 845 | M | 31 | Very low | 33.9 | Very low | 140 Ų | 140 | 116 Ų | 116 | 69% | 0.69 | 60% | 0.602 | S | S | * | * | trans | -141.8 | 66.4 | -168.6 | -103.2 | 143.2 | 74.5 | 0 | 0 | 116.4 | N847 Y849 | M845-N847 PolarHBondContact O-N 3.16Å; M845-N847 VanDerWaalsContact O-N 3.12Å; M845-Y849 HydrophobicContact CE-CE2 3.69Å; M845-Y849 WeakPolarHBondContact CE-OH 3.39Å | ||
| 846 | S | 29.1 | Very low | 34.6 | Very low | 98 Ų | 98 | 114.8 Ų | 114.8 | 69% | 0.685 | 60% | 0.6 | S | S | * | * | trans | -81.6 | 65.1 | 158.3 | 68 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 847 | N | 35 | Very low | 35.2 | Very low | 133 Ų | 133 | 113.1 Ų | 113.1 | 71% | 0.711 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -151 | 104.8 | 175.3 | -102.7 | -33.1 | 0 | 0 | 0 | 112.7 | M845 Y849 | M845-N847 PolarHBondContact O-N 3.16Å; M845-N847 VanDerWaalsContact O-N 3.12Å; N847-Y849 PolarHBondContact O-N 3.2Å |
| 848 | K | 29.8 | Very low | 35.9 | Very low | 198 Ų | 198 | 114 Ų | 114 | 86% | 0.861 | 60% | 0.597 | S | S | * | * | trans | 35.7 | 81.9 | 144.7 | -165.3 | -172.5 | -180 | -174.9 | 0 | 117.3 | ||||
| 849 | Y | 31.7 | Very low | 36.5 | Very low | 140 Ų | 140 | 111.3 Ų | 111.3 | 55% | 0.549 | 59% | 0.588 | S | S | . | * | trans | -89.8 | 114.8 | 158 | -90.7 | -82.4 | 0 | 0 | 0 | 110.9 | M845 N847 N855 | M845-Y849 HydrophobicContact CE-CE2 3.69Å; M845-Y849 WeakPolarHBondContact CE-OH 3.39Å; N847-Y849 PolarHBondContact O-N 3.2Å; Y849-N855 VanDerWaalsContact CD1-ND2 3.31Å; Y849-N855 WeakPolarHBondContact CD1-ND2 3.34Å; Y849-N855 WeakPolarHBondContact CE1-ND2 3.15Å; Y849-N855 WeakPolarHBondContact CE1-OD1 2.98Å | ||
| 850 | D | 35 | Very low | 37.4 | Very low | 70 Ų | 70 | 104.2 Ų | 104.2 | 37% | 0.374 | 55% | 0.552 | S | S | . | * | trans | -89.5 | 106.7 | 164.4 | 175.2 | 15 | 0 | 0 | 0 | 108.4 | K852 T853 | D850-K852 PolarHBondContact O-N 2.93Å; D850-K852 PolarHBondContact OD1-N 3.21Å; D850-K852 VanDerWaalsContact OD1-N 3.11Å; D850-T853 PolarHBondContact O-N 2.9Å; D850-T853 VanDerWaalsContact OD2-CG2 3.22Å; D850-T853 WeakPolarHBondContact OD2-CG2 3.5Å; D850-T853 PolarHBondContact OD2-OG1 3.03Å | ||
| 851 | W | 35.1 | Very low | 38.5 | Very low | 113 Ų | 113 | 101.8 Ų | 101.8 | 43% | 0.428 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19 | -176.8 | 63.7 | -92.6 | 0 | 0 | 0 | 113 | E438 | E438-W851 HydrophobicContact CB-CZ2 4.4Å; E438-W851 HydrophobicContact CG-CH2 4.4Å; E438-W851 HydrophobicContact CG-CZ2 3.75Å; E438-W851 WeakPolarHBondContact OE1-CZ2 3.14Å |
| 852 | K | 40.5 | Very low | 39.6 | Very low | 129 Ų | 129 | 100.1 Ų | 100.1 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -7 | -179.2 | -75.4 | 175 | 171.7 | 152.9 | 0 | 114.3 | E438 D850 | E438-K852 IonicContact OE1-NZ 3.68Å; E438-K852 PolarHBondContact OE1-NZ 2.98Å; D850-K852 PolarHBondContact O-N 2.93Å; D850-K852 PolarHBondContact OD1-N 3.21Å; D850-K852 VanDerWaalsContact OD1-N 3.11Å |
| 853 | T | 45.6 | Very low | 40.4 | Very low | 99 Ų | 99 | 98.3 Ų | 98.3 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130 | -15.2 | -170.5 | 54 | 0 | 0 | 0 | 0 | 118.1 | D850 | D850-T853 PolarHBondContact O-N 2.9Å; D850-T853 VanDerWaalsContact OD2-CG2 3.22Å; D850-T853 WeakPolarHBondContact OD2-CG2 3.5Å; D850-T853 PolarHBondContact OD2-OG1 3.03Å |
| 854 | T | 42.4 | Very low | 41.5 | Very low | 97 Ų | 97 | 98.6 Ų | 98.6 | 60% | 0.595 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -136.9 | -31.8 | -174 | -26.1 | 0 | 0 | 0 | 0 | 117.9 | P857 | T854-P857 WeakPolarHBondContact O-CD 3.25Š|
| 855 | N | 45.1 | Very low | 42.7 | Very low | 67 Ų | 67 | 100.4 Ų | 100.4 | 36% | 0.358 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -93.5 | -18.7 | -168.9 | -71.5 | 5.2 | 0 | 0 | 0 | 115.2 | Y849 P857 F858 L859 | Y849-N855 VanDerWaalsContact CD1-ND2 3.31Å; Y849-N855 WeakPolarHBondContact CD1-ND2 3.34Å; Y849-N855 WeakPolarHBondContact CE1-ND2 3.15Å; Y849-N855 WeakPolarHBondContact CE1-OD1 2.98Å; N855-P857 VanDerWaalsContact C-CD 3.43Å; N855-F858 PolarHBondContact O-N 3.12Å; N855-L859 PolarHBondContact O-N 3.21Å |
| 856 | A | 43.9 | Very low | 43.5 | Very low | 62 Ų | 62 | 97.6 Ų | 97.6 | 51% | 0.512 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.8 | -36.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y860 | A856-Y860 WeakPolarHBondContact O-CB 3.34Å; A856-Y860 PolarHBondContact O-N 3.19Å |
| 857 | P | 44.5 | Very low | 44.6 | Very low | 68 Ų | 68 | 94.3 Ų | 94.3 | 44% | 0.442 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 176.2 | -24.1 | 35.4 | 0 | 0 | 0 | 113.5 | T854 N855 Y860 D861 | T854-P857 WeakPolarHBondContact O-CD 3.25Å; N855-P857 VanDerWaalsContact C-CD 3.43Å; P857-Y860 PolarHBondContact O-N 2.95Å; P857-D861 PolarHBondContact O-N 2.66Å |
| 858 | F | 49.9 | Very low | 45.5 | Very low | 150 Ų | 150 | 92.7 Ų | 92.7 | 66% | 0.658 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.5 | -46.5 | -177.4 | 178.8 | -100.4 | 0 | 0 | 0 | 112.1 | N855 Y860 D861 E862 | N855-F858 PolarHBondContact O-N 3.12Å; F858-Y860 VanDerWaalsContact C-N 3.26Å; F858-Y860 PolarHBondContact O-N 2.78Å; F858-D861 PolarHBondContact O-N 3.42Å; F858-E862 WeakPolarHBondContact O-CB 3.47Å; F858-E862 PolarHBondContact O-N 3.27Å |
| 859 | L | 46.1 | Very low | 46.7 | Very low | 122 Ų | 122 | 89.4 Ų | 89.4 | 64% | 0.639 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -59.7 | -37.9 | 173.7 | -88.9 | 158.7 | 0 | 0 | 0 | 112 | N855 F863 | N855-L859 PolarHBondContact O-N 3.21Å; L859-F863 VanDerWaalsContact O-CB 3.23Å; L859-F863 WeakPolarHBondContact O-CB 3.45Å; L859-F863 PolarHBondContact O-N 2.89Å |
| 860 | Y | 48.9 | Very low | 47.6 | Very low | 15 Ų | 15 | 90.7 Ų | 90.7 | 6% | 0.059 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -70.3 | -39.7 | 177.4 | 175.5 | -90.8 | 0 | 0 | 0 | 113.1 | L460 L464 K489 A856 P857 F858 F863 Q864 | L460-Y860 HydrophobicContact CD2-CD2 4.3Å; L460-Y860 HydrophobicContact CD2-CE2 3.79Å; L460-Y860 HydrophobicContact CG-CE2 4.3Å; L464-Y860 WeakPolarHBondContact CD1-OH 3.17Å; K489-Y860 HydrophobicContact CD-CE1 4Å; K489-Y860 HydrophobicContact CD-CE2 4.29Å; K489-Y860 VanDerWaalsContact CE-CE1 3.46Å; K489-Y860 HydrophobicContact CG-CE2 4.35Å; A856-Y860 WeakPolarHBondContact O-CB 3.34Å; A856-Y860 PolarHBondContact O-N 3.19Å; P857-Y860 PolarHBondContact O-N 2.95Å; F858-Y860 VanDerWaalsContact C-N 3.26Å; F858-Y860 PolarHBondContact O-N 2.78Å; Y860-F863 PolarHBondContact O-N 3.44Å; Y860-Q864 HydrophobicContact CD1-CG 4.11Å; Y860-Q864 HydrophobicContact CE1-CG 3.69Å; Y860-Q864 VanDerWaalsContact CZ-NE2 3.31Å; Y860-Q864 WeakPolarHBondContact O-CB 3.15Å; Y860-Q864 WeakPolarHBondContact O-CG 3.47Å; Y860-Q864 PolarHBondContact O-N 3.38Å; Y860-Q864 PolarHBondContact OH-NE2 3.27Å |
| 861 | D | 53.9 | Low | 48.4 | Very low | 95 Ų | 95 | 96.3 Ų | 96.3 | 51% | 0.508 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.2 | -39.2 | 179 | -73.7 | -3.4 | 0 | 0 | 0 | 111.3 | P857 F858 F863 Q864 K865 | P857-D861 PolarHBondContact O-N 2.66Å; F858-D861 PolarHBondContact O-N 3.42Å; D861-F863 VanDerWaalsContact C-N 3.35Å; D861-Q864 WeakPolarHBondContact O-CB 3.41Å; D861-Q864 PolarHBondContact O-N 3.01Å; D861-K865 VanDerWaalsContact O-CB 3.31Å; D861-K865 WeakPolarHBondContact O-CB 3.34Å; D861-K865 PolarHBondContact O-N 2.87Å |
| 862 | E | 52.3 | Low | 49.5 | Very low | 67 Ų | 67 | 92.4 Ų | 92.4 | 31% | 0.313 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 172 | -172.5 | 63.1 | -158.7 | 0 | 0 | 111.4 | F858 R866 | F858-E862 WeakPolarHBondContact O-CB 3.47Å; F858-E862 PolarHBondContact O-N 3.27Å; E862-R866 WeakPolarHBondContact O-CG 3.41Å; E862-R866 PolarHBondContact O-N 2.93Å; E862-R866 IonicContact OE1-CZ 3.15Å; E862-R866 IonicContact OE1-NE 2.78Å; E862-R866 PolarHBondContact OE1-NE 3.27Å; E862-R866 IonicContact OE1-NH2 2.68Å; E862-R866 PolarHBondContact OE1-NH2 2.92Å |
| 863 | F | 50 | Low | 50 | Low | 42 Ų | 42 | 91.9 Ų | 91.9 | 18% | 0.184 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 172.1 | 176.1 | -105 | 0 | 0 | 0 | 112.4 | F457 R461 L859 Y860 D861 K865 R866 M867 | F457-F863 HydrophobicContact CB-CE1 4.21Å; F457-F863 HydrophobicContact CB-CZ 4.32Å; R461-F863 HydrophobicContact CB-CE1 4.21Å; L859-F863 VanDerWaalsContact O-CB 3.23Å; L859-F863 WeakPolarHBondContact O-CB 3.45Å; L859-F863 PolarHBondContact O-N 2.89Å; Y860-F863 PolarHBondContact O-N 3.44Å; D861-F863 VanDerWaalsContact C-N 3.35Å; F863-K865 VanDerWaalsContact C-N 3.32Å; F863-K865 PolarHBondContact O-N 3.15Å; F863-R866 PolarHBondContact O-N 2.85Å; F863-M867 HydrophobicContact CD1-CG 4.23Å; F863-M867 HydrophobicContact CD2-CG 4.08Å; F863-M867 HydrophobicContact CE1-CG 3.88Å; F863-M867 HydrophobicContact CE2-CG 3.71Å; F863-M867 HydrophobicContact CE2-SD 4.17Å; F863-M867 HydrophobicContact CG-CG 4.34Å; F863-M867 HydrophobicContact CZ-CE 4.4Å; F863-M867 HydrophobicContact CZ-CG 3.6Å; F863-M867 HydrophobicContact CZ-SD 4.02Å; F863-M867 VanDerWaalsContact O-CB 3.32Å; F863-M867 WeakPolarHBondContact O-CB 3.48Å; F863-M867 WeakPolarHBondContact O-CG 3.38Å; F863-M867 PolarHBondContact O-N 3.03Å |
| 864 | Q | 52.1 | Low | 50.8 | Low | 57 Ų | 57 | 93.2 Ų | 93.2 | 27% | 0.266 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -55.9 | -48.1 | 176.4 | -92 | -136 | 18.8 | 0 | 0 | 111.6 | R461 Y860 D861 R866 M867 T868 | R461-Q864 VanDerWaalsContact CZ-OE1 3.3Å; R461-Q864 VanDerWaalsContact NH2-CD 3.31Å; R461-Q864 PolarHBondContact NH2-O 2.93Å; R461-Q864 VanDerWaalsContact NH2-O 3.15Å; Y860-Q864 HydrophobicContact CD1-CG 4.11Å; Y860-Q864 HydrophobicContact CE1-CG 3.69Å; Y860-Q864 VanDerWaalsContact CZ-NE2 3.31Å; Y860-Q864 WeakPolarHBondContact O-CB 3.15Å; Y860-Q864 WeakPolarHBondContact O-CG 3.47Å; Y860-Q864 PolarHBondContact O-N 3.38Å; Y860-Q864 PolarHBondContact OH-NE2 3.27Å; D861-Q864 WeakPolarHBondContact O-CB 3.41Å; D861-Q864 PolarHBondContact O-N 3.01Å; Q864-R866 VanDerWaalsContact C-N 3.35Å; Q864-M867 PolarHBondContact O-N 2.93Å; Q864-T868 PolarHBondContact O-N 3.16Å; Q864-T868 VanDerWaalsContact O-N 3.09Å; Q864-T868 PolarHBondContact O-OG1 3.14Å |
| 865 | K | 54.3 | Low | 52.3 | Low | 146 Ų | 146 | 89.4 Ų | 89.4 | 64% | 0.635 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.8 | -37.8 | -175.4 | -164.9 | 177.8 | -176 | -174.4 | 0 | 111.9 | D861 F863 T868 | D861-K865 VanDerWaalsContact O-CB 3.31Å; D861-K865 WeakPolarHBondContact O-CB 3.34Å; D861-K865 PolarHBondContact O-N 2.87Å; F863-K865 VanDerWaalsContact C-N 3.32Å; F863-K865 PolarHBondContact O-N 3.15Å; K865-T868 PolarHBondContact O-OG1 3.5Å |
| 866 | R | 49 | Very low | 53.7 | Low | 82 Ų | 82 | 89.3 Ų | 89.3 | 31% | 0.309 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -78.2 | -31.2 | 175.1 | -65.8 | 172.5 | -174.9 | -124.8 | 7.5 | 113.2 | E862 F863 Q864 | E862-R866 WeakPolarHBondContact O-CG 3.41Å; E862-R866 PolarHBondContact O-N 2.93Å; E862-R866 IonicContact OE1-CZ 3.15Å; E862-R866 IonicContact OE1-NE 2.78Å; E862-R866 PolarHBondContact OE1-NE 3.27Å; E862-R866 IonicContact OE1-NH2 2.68Å; E862-R866 PolarHBondContact OE1-NH2 2.92Å; F863-R866 PolarHBondContact O-N 2.85Å; Q864-R866 VanDerWaalsContact C-N 3.35Å |
| 867 | M | 51.6 | Low | 55.4 | Low | 28 Ų | 28 | 87.5 Ų | 87.5 | 14% | 0.138 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -72.8 | -23.5 | 175.3 | -81.7 | -74.3 | -70 | 0 | 0 | 113.5 | R461 I812 F863 Q864 E869 | R461-M867 HydrophobicContact CB-CE 4.43Å; R461-M867 HydrophobicContact CG-CB 4.42Å; R461-M867 HydrophobicContact CG-CE 3.91Å; I812-M867 HydrophobicContact CG2-CE 3.9Å; I812-M867 HydrophobicContact CG2-SD 3.99Å; F863-M867 HydrophobicContact CD1-CG 4.23Å; F863-M867 HydrophobicContact CD2-CG 4.08Å; F863-M867 HydrophobicContact CE1-CG 3.88Å; F863-M867 HydrophobicContact CE2-CG 3.71Å; F863-M867 HydrophobicContact CE2-SD 4.17Å; F863-M867 HydrophobicContact CG-CG 4.34Å; F863-M867 HydrophobicContact CZ-CE 4.4Å; F863-M867 HydrophobicContact CZ-CG 3.6Å; F863-M867 HydrophobicContact CZ-SD 4.02Å; F863-M867 VanDerWaalsContact O-CB 3.32Å; F863-M867 WeakPolarHBondContact O-CB 3.48Å; F863-M867 WeakPolarHBondContact O-CG 3.38Å; F863-M867 PolarHBondContact O-N 3.03Å; Q864-M867 PolarHBondContact O-N 2.93Å; M867-E869 VanDerWaalsContact C-N 3.26Å; M867-E869 PolarHBondContact O-N 3.1Å |
| 868 | T | 53.5 | Low | 56.7 | Low | 100 Ų | 100 | 88.1 Ų | 88.1 | 61% | 0.613 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -10.5 | 177.8 | 27.1 | 0 | 0 | 0 | 0 | 115.1 | Q864 K865 | Q864-T868 PolarHBondContact O-N 3.16Å; Q864-T868 VanDerWaalsContact O-N 3.09Å; Q864-T868 PolarHBondContact O-OG1 3.14Å; K865-T868 PolarHBondContact O-OG1 3.5Å |
| 869 | E | 55 | Low | 57.6 | Low | 128 Ų | 128 | 87.1 Ų | 87.1 | 60% | 0.598 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -7.5 | -171.9 | -61.9 | -176.7 | 149.5 | 0 | 0 | 114.4 | M867 | M867-E869 VanDerWaalsContact C-N 3.26Å; M867-E869 PolarHBondContact O-N 3.1Å |
| 870 | R | 50.6 | Low | 58.7 | Low | 168 Ų | 168 | 84.2 Ų | 84.2 | 63% | 0.634 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -140 | 154.6 | -176.5 | -71 | -166.6 | 171.8 | 179.4 | -3.3 | 114.9 | ||
| 871 | W | 52.2 | Low | 59.8 | Low | 188 Ų | 188 | 87.3 Ų | 87.3 | 71% | 0.712 | 44% | 0.436 | S | S | * | . | trans | -69.7 | 127.9 | -160.1 | -69.3 | 54.3 | 0 | 0 | 0 | 113.6 | D873 H874 | W871-D873 WeakPolarHBondContact CA-OD2 3.49Å; W871-D873 WeakPolarHBondContact CB-OD2 3.48Å; W871-D873 HydrophobicContact CE3-CB 4.07Å; W871-H874 AromaticContact CE3-CE1 3.64Å | ||
| 872 | L | 57.4 | Low | 61 | Low | 31 Ų | 31 | 83.8 Ų | 83.8 | 16% | 0.162 | 42% | 0.421 | C | S | . | . | trans | -105.6 | 2.4 | 167 | -102 | 166.3 | 0 | 0 | 0 | 112.1 | L462 V810 H874 | L462-L872 HydrophobicContact CD2-CD1 3.77Å; L462-L872 HydrophobicContact CD2-CD2 3.56Å; L462-L872 HydrophobicContact CD2-CG 4.35Å; V810-L872 HydrophobicContact CG1-CD2 4.33Å; L872-H874 PolarHBondContact O-N 2.03Å | ||
| 873 | D | 52.2 | Low | 62.3 | Low | 117 Ų | 117 | 83.2 Ų | 83.2 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 14.1 | -151.3 | -43.1 | -82.6 | 0 | 0 | 0 | 115.1 | W871 | W871-D873 WeakPolarHBondContact CA-OD2 3.49Å; W871-D873 WeakPolarHBondContact CB-OD2 3.48Å; W871-D873 HydrophobicContact CE3-CB 4.07Å |
| 874 | H | 62.8 | Low | 63.9 | Low | 127 Ų | 127 | 81.8 Ų | 81.8 | 59% | 0.588 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | 13.9 | -171.7 | -67.8 | 85.6 | 0 | 0 | 0 | 113.9 | W871 L872 | W871-H874 AromaticContact CE3-CE1 3.64Å; L872-H874 PolarHBondContact O-N 2.03Å |
| 875 | V | 72.7 | Confident | 65.3 | Low | 17 Ų | 17 | 83.1 Ų | 83.1 | 10% | 0.103 | 43% | 0.428 | C | S | . | . | trans | -77.1 | 123.9 | 174.2 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | W466 F587 L801 V810 W877 | W466-V875 HydrophobicContact CZ2-CG2 4.23Å; F587-V875 HydrophobicContact CE1-CG1 3.91Å; F587-V875 HydrophobicContact CZ-CG1 4.3Å; L801-V875 HydrophobicContact CD2-CG2 4.01Å; V810-V875 HydrophobicContact CG2-CG2 4.12Å; V875-W877 HydrophobicContact CB-CZ2 4.27Å; V875-W877 HydrophobicContact CG1-CD2 4.27Å; V875-W877 HydrophobicContact CG1-CH2 4.15Å; V875-W877 HydrophobicContact CG1-CZ2 3.58Å; V875-W877 VanDerWaalsContact O-CD1 3.31Å; V875-W877 PolarHBondContact O-N 3.46Å | ||
| 876 | N | 74.8 | Confident | 66.7 | Low | 66 Ų | 66 | 76.3 Ų | 76.3 | 35% | 0.353 | 40% | 0.398 | S | S | . | . | trans | -93.5 | 104.6 | -173.9 | -178.6 | -1.1 | 0 | 0 | 0 | 112.3 | Q803 L806 H878 | Q803-N876 PolarHBondContact NE2-O 3.17Å; L806-N876 HydrophobicContact CD1-CB 3.52Å; L806-N876 WeakPolarHBondContact CD1-ND2 3.28Å; N876-H878 VanDerWaalsContact C-N 3.33Å; N876-H878 PolarHBondContact O-ND1 3.09Å; N876-H878 VanDerWaalsContact O-ND1 3.13Å; N876-H878 PolarHBondContact OD1-N 3.33Å; N876-H878 PolarHBondContact OD1-ND1 3.46Å | ||
| 877 | W | 79.3 | Confident | 68.1 | Low | 23 Ų | 23 | 72.7 Ų | 72.7 | 9% | 0.087 | 39% | 0.386 | C | S | . | . | trans | -84.5 | 1.3 | 178.7 | -55.6 | 102.3 | 0 | 0 | 0 | 115.1 | W466 W468 F547 V552 F587 V875 T879 L880 G882 P883 | W466-W877 HydrophobicContact CD2-CH2 4.29Å; W466-W877 HydrophobicContact CD2-CZ2 4.1Å; W466-W877 AromaticContact CE2-CZ2 3.73Å; W466-W877 HydrophobicContact CE3-CH2 4.41Å; W466-W877 HydrophobicContact CG-CZ2 4.48Å; W466-W877 HydrophobicContact CH2-CH2 4.42Å; W466-W877 HydrophobicContact CH2-CZ2 4.48Å; W466-W877 HydrophobicContact CZ2-CH2 4.33Å; W466-W877 AromaticContact CZ2-CZ2 3.95Å; W466-W877 HydrophobicContact CZ2-CZ2 3.95Å; W466-W877 HydrophobicContact CZ3-CH2 4.47Å; W466-W877 AromaticContact NE1-CZ2 3.94Å; W468-W877 AromaticContact CH2-CH2 3.8Å; W468-W877 HydrophobicContact CH2-CH2 3.8Å; W468-W877 HydrophobicContact CH2-CZ3 4.24Å; W468-W877 AromaticContact CZ2-CH2 3.91Å; W468-W877 HydrophobicContact CZ2-CH2 3.91Å; W468-W877 HydrophobicContact CZ2-CZ3 4.2Å; F547-W877 HydrophobicContact CE2-CE3 4.03Å; F547-W877 HydrophobicContact CE2-CZ3 4.16Å; F547-W877 AromaticContact CZ-CE3 3.84Å; F547-W877 HydrophobicContact CZ-CE3 3.84Å; F547-W877 HydrophobicContact CZ-CZ3 4.41Å; V552-W877 HydrophobicContact CG2-CZ3 4.33Å; F587-W877 HydrophobicContact CZ-CZ3 4.35Å; V875-W877 HydrophobicContact CB-CZ2 4.27Å; V875-W877 HydrophobicContact CG1-CD2 4.27Å; V875-W877 HydrophobicContact CG1-CH2 4.15Å; V875-W877 HydrophobicContact CG1-CZ2 3.58Å; V875-W877 VanDerWaalsContact O-CD1 3.31Å; V875-W877 PolarHBondContact O-N 3.46Å; W877-T879 PolarHBondContact O-N 2.99Å; W877-L880 HydrophobicContact CB-CB 4.32Å; W877-L880 WeakPolarHBondContact O-CB 3.49Å; W877-L880 PolarHBondContact O-N 3.34Å; W877-G882 VanDerWaalsContact CB-O 3.23Å; W877-G882 WeakPolarHBondContact CB-O 3.31Å; W877-G882 VanDerWaalsContact CG-O 3.31Å; W877-P883 HydrophobicContact CD2-CB 4.43Å; W877-P883 HydrophobicContact CH2-CB 4.15Å; W877-P883 HydrophobicContact CZ2-CB 3.92Å; W877-P883 HydrophobicContact CZ3-CB 4.48Å | ||
| 878 | H | 72.6 | Confident | 69 | Low | 81 Ų | 81 | 74.3 Ų | 74.3 | 38% | 0.375 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | 48.6 | -125.9 | -178.9 | -61.2 | 75.4 | 0 | 0 | 0 | 112.2 | H805 N876 L880 G881 | H805-H878 AromaticContact CE1-NE2 3.83Å; H805-H878 AromaticContact ND1-NE2 3.88Å; N876-H878 VanDerWaalsContact C-N 3.33Å; N876-H878 PolarHBondContact O-ND1 3.09Å; N876-H878 VanDerWaalsContact O-ND1 3.13Å; N876-H878 PolarHBondContact OD1-N 3.33Å; N876-H878 PolarHBondContact OD1-ND1 3.46Å; H878-L880 PolarHBondContact O-N 2.66Å; H878-L880 VanDerWaalsContact O-N 3.12Å; H878-G881 PolarHBondContact O-N 3.39Å |
| 879 | T | 67.6 | Low | 69.1 | Low | 129 Ų | 129 | 74.8 Ų | 74.8 | 79% | 0.791 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -68.4 | -7.6 | -174.5 | 52.3 | 0 | 0 | 0 | 0 | 114.8 | W877 | W877-T879 PolarHBondContact O-N 2.99Š|
| 880 | L | 70.3 | Confident | 68.9 | Low | 61 Ų | 61 | 74.8 Ų | 74.8 | 32% | 0.319 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -81.2 | -17.5 | 177.6 | -60.2 | 170.6 | 0 | 0 | 0 | 112.7 | F547 W877 H878 G882 P884 | F547-L880 HydrophobicContact CE1-CD1 4.18Å; F547-L880 HydrophobicContact CZ-CD1 4.18Å; W877-L880 HydrophobicContact CB-CB 4.32Å; W877-L880 WeakPolarHBondContact O-CB 3.49Å; W877-L880 PolarHBondContact O-N 3.34Å; H878-L880 PolarHBondContact O-N 2.66Å; H878-L880 VanDerWaalsContact O-N 3.12Å; L880-G882 WeakPolarHBondContact CB-O 3.47Å; L880-G882 PolarHBondContact O-N 3.32Å; L880-P884 HydrophobicContact CD1-CB 4.16Å; L880-P884 HydrophobicContact CD1-CG 4.17Å |
| 881 | G | 71.7 | Confident | 68.7 | Low | 81 Ų | 81 | 75.8 Ų | 75.8 | 84% | 0.835 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 70.8 | -18.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | H878 | H878-G881 PolarHBondContact O-N 3.39Š|
| 882 | G | 78.2 | Confident | 68.9 | Low | 20 Ų | 20 | 76.2 Ų | 76.2 | 21% | 0.206 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -167.7 | -172.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | W877 L880 | W877-G882 VanDerWaalsContact CB-O 3.23Å; W877-G882 WeakPolarHBondContact CB-O 3.31Å; W877-G882 VanDerWaalsContact CG-O 3.31Å; L880-G882 WeakPolarHBondContact CB-O 3.47Å; L880-G882 PolarHBondContact O-N 3.32Å |
| 883 | P | 80.8 | Confident | 68.7 | Low | 55 Ų | 55 | 81.1 Ų | 81.1 | 36% | 0.357 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 135.7 | 174 | 25.3 | -33.5 | 0 | 0 | 0 | 110.4 | W466 W468 W877 | W466-P883 HydrophobicContact CB-CB 3.92Å; W466-P883 HydrophobicContact CB-CG 4.14Å; W466-P883 HydrophobicContact CG-CB 4.09Å; W466-P883 HydrophobicContact CG-CG 4.34Å; W468-P883 HydrophobicContact CZ2-CB 3.95Å; W877-P883 HydrophobicContact CD2-CB 4.43Å; W877-P883 HydrophobicContact CH2-CB 4.15Å; W877-P883 HydrophobicContact CZ2-CB 3.92Å; W877-P883 HydrophobicContact CZ3-CB 4.48Å |
| 884 | P | 83.1 | Confident | 69 | Low | 13 Ų | 13 | 78 Ų | 78 | 8% | 0.084 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 160.4 | 173.6 | 26.4 | -33.8 | 0 | 0 | 0 | 111.1 | W468 V552 L880 | W468-P884 HydrophobicContact CZ2-CG 4.4Å; W468-P884 PolarHBondContact NE1-O 3Å; V552-P884 HydrophobicContact CG2-CG 3.52Å; L880-P884 HydrophobicContact CD1-CB 4.16Å; L880-P884 HydrophobicContact CD1-CG 4.17Å |
| 885 | N | 81.8 | Confident | 68.9 | Low | 85 Ų | 85 | 77.8 Ų | 77.8 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 152 | 169.5 | 69.3 | 75.3 | 0 | 0 | 0 | 110.9 | R522 G887 I889 | R522-N885 WeakPolarHBondContact CB-O 3.49Å; R522-N885 WeakPolarHBondContact CG-O 3.43Å; N885-G887 PolarHBondContact O-N 3.15Å; N885-G887 WeakPolarHBondContact OD1-CA 3.4Å; N885-G887 PolarHBondContact OD1-N 2.84Å; N885-G887 VanDerWaalsContact OD1-N 3.11Å; N885-I889 HydrophobicContact CB-CD1 4.46Å |
| 886 | D | 83.3 | Confident | 68.6 | Low | 3 Ų | 3 | 79.1 Ų | 79.1 | 2% | 0.016 | 45% | 0.448 | C | S | . | . | trans | -81 | -1.1 | 178.8 | 68.4 | -18.3 | 0 | 0 | 0 | 113.8 | W468 H469 R470 I523 S888 | W468-D886 HydrophobicContact CB-CB 4.12Å; W468-D886 HydrophobicContact CG-CB 4.23Å; H469-D886 WeakPolarHBondContact CA-OD2 3.44Å; H469-D886 PolarHBondContact N-OD2 3.12Å; R470-D886 HydrophobicContact CB-CB 4.23Å; R470-D886 PolarHBondContact N-OD2 3.49Å; I523-D886 HydrophobicContact CG1-CB 4.11Å; D886-S888 WeakPolarHBondContact OD1-CB 3.26Å; D886-S888 PolarHBondContact OD1-N 2.88Å; D886-S888 PolarHBondContact OD1-OG 3.42Å | ||
| 887 | G | 78.3 | Confident | 68 | Low | 6 Ų | 6 | 79.3 Ų | 79.3 | 6% | 0.062 | 46% | 0.455 | C | S | . | . | S | Bend | trans | 95.6 | 0.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | N520 N885 | N520-G887 VanDerWaalsContact ND2-CA 3.26Å; N520-G887 WeakPolarHBondContact ND2-CA 3.42Å; N520-G887 PolarHBondContact ND2-O 2.99Å; N520-G887 VanDerWaalsContact ND2-O 3.08Å; N520-G887 WeakPolarHBondContact O-CA 3.47Å; N885-G887 PolarHBondContact O-N 3.15Å; N885-G887 WeakPolarHBondContact OD1-CA 3.4Å; N885-G887 PolarHBondContact OD1-N 2.84Å; N885-G887 VanDerWaalsContact OD1-N 3.11Å |
| 888 | S | 70.3 | Confident | 67.7 | Low | 62 Ų | 62 | 85.3 Ų | 85.3 | 43% | 0.434 | 48% | 0.482 | S | S | . | . | trans | -72.8 | -23.9 | -176.9 | 59.2 | 0 | 0 | 0 | 0 | 115.7 | D886 N890 | D886-S888 WeakPolarHBondContact OD1-CB 3.26Å; D886-S888 PolarHBondContact OD1-N 2.88Å; D886-S888 PolarHBondContact OD1-OG 3.42Å; S888-N890 PolarHBondContact O-N 2.95Å | ||
| 889 | I | 55.5 | Low | 67.4 | Low | 110 Ų | 110 | 84 Ų | 84 | 56% | 0.564 | 48% | 0.477 | S | S | * | . | trans | -84.4 | 116.1 | -169.2 | -57.2 | 176.4 | 0 | 0 | 0 | 111.8 | N885 E891 | N885-I889 HydrophobicContact CB-CD1 4.46Å; I889-E891 HydrophobicContact CG2-CG 4.09Å | ||
| 890 | N | 50.7 | Low | 67.3 | Low | 128 Ų | 128 | 78.7 Ų | 78.7 | 68% | 0.684 | 45% | 0.445 | S | S | * | . | trans | -130.7 | 88.8 | 170 | -92.3 | -52.3 | 0 | 0 | 0 | 110.6 | S888 K892 | S888-N890 PolarHBondContact O-N 2.95Å; N890-K892 PolarHBondContact O-N 3.38Å | ||
| 891 | E | 47.7 | Very low | 67.2 | Low | 189 Ų | 189 | 81.9 Ų | 81.9 | 88% | 0.883 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -1 | -175.9 | -69.1 | -171.9 | 119.2 | 0 | 0 | 115.9 | I889 | I889-E891 HydrophobicContact CG2-CG 4.09Š|
| 892 | K | 55.9 | Low | 67.3 | Low | 196 Ų | 196 | 84.6 Ų | 84.6 | 85% | 0.852 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -6.1 | -170.4 | -71.1 | -177 | 175.5 | 176.5 | 0 | 116.2 | N890 | N890-K892 PolarHBondContact O-N 3.38Š|
| 893 | N | 53.3 | Low | 67.1 | Low | 135 Ų | 135 | 86.9 Ų | 86.9 | 72% | 0.722 | 46% | 0.461 | S | S | * | . | trans | -121.8 | 53.5 | -171.6 | -76 | -11.4 | 0 | 0 | 0 | 114.9 | T895 | N893-T895 PolarHBondContact O-N 2.81Å; N893-T895 VanDerWaalsContact O-N 3.14Å | ||
| 894 | C | 58.9 | Low | 66.4 | Low | 52 Ų | 52 | 92.9 Ų | 92.9 | 35% | 0.351 | 48% | 0.484 | S | S | . | . | trans | -79.9 | 88.4 | 164.9 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | L896 C907 | C894-L896 PolarHBondContact O-N 2.82Å; C894-C907 HydrophobicContact CB-CB 3.99Å; C894-C907 WeakPolarHBondContact CB-SG 3.44Å; C894-C907 WeakPolarHBondContact SG-CB 3.46Å; C894-C907 CovalentContact SG-SG 2.04Å; C894-C907 PolarHBondContact SG-SG 2.83Å | ||
| 895 | T | 61.3 | Low | 65.8 | Low | 121 Ų | 121 | 96.1 Ų | 96.1 | 74% | 0.742 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -13.2 | -177.5 | 51.5 | 0 | 0 | 0 | 0 | 114.8 | N893 | N893-T895 PolarHBondContact O-N 2.81Å; N893-T895 VanDerWaalsContact O-N 3.14Å |
| 896 | L | 65.1 | Low | 65.2 | Low | 46 Ų | 46 | 94.5 Ų | 94.5 | 24% | 0.241 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 30.9 | -175.7 | -65.9 | 170.9 | 0 | 0 | 0 | 112.9 | C894 F898 L899 S900 T911 V914 | C894-L896 PolarHBondContact O-N 2.82Å; L896-F898 PolarHBondContact O-N 3.44Å; L896-L899 HydrophobicContact CB-CB 4.49Å; L896-L899 HydrophobicContact CD2-CD1 4.09Å; L896-L899 PolarHBondContact O-N 2.78Å; L896-S900 PolarHBondContact O-N 3.32Å; L896-S900 VanDerWaalsContact O-N 3.09Å; L896-T911 HydrophobicContact CD1-CG2 3.94Å; L896-V914 HydrophobicContact CD1-CB 4.27Å; L896-V914 HydrophobicContact CD1-CG2 3.97Å |
| 897 | S | 62.3 | Low | 64.4 | Low | 69 Ų | 69 | 96.9 Ų | 96.9 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -53.5 | -35 | -179.3 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | S900 N901 | S897-S900 PolarHBondContact O-N 3.24Å; S897-N901 PolarHBondContact O-N 2.9Å; S897-N901 VanDerWaalsContact O-N 3.09Å |
| 898 | F | 73.8 | Confident | 63.9 | Low | 150 Ų | 150 | 102 Ų | 102 | 66% | 0.658 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.9 | -46.2 | 173.1 | 174.1 | -98.7 | 0 | 0 | 0 | 112.8 | L896 N901 Q902 | L896-F898 PolarHBondContact O-N 3.44Å; F898-N901 PolarHBondContact O-N 3.04Å; F898-Q902 HydrophobicContact CE1-CG 4.12Å; F898-Q902 HydrophobicContact CE2-CG 4.27Å; F898-Q902 HydrophobicContact CZ-CG 3.9Å; F898-Q902 PolarHBondContact O-N 3.29Å |
| 899 | L | 65.5 | Low | 64 | Low | 52 Ų | 52 | 100.2 Ų | 100.2 | 27% | 0.272 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.7 | -34.5 | 179.3 | -94.4 | 155.1 | 0 | 0 | 0 | 112 | L896 Q902 L903 A910 V914 | L896-L899 HydrophobicContact CB-CB 4.49Å; L896-L899 HydrophobicContact CD2-CD1 4.09Å; L896-L899 PolarHBondContact O-N 2.78Å; L899-Q902 PolarHBondContact O-N 2.93Å; L899-L903 HydrophobicContact CD2-CD1 3.78Å; L899-L903 HydrophobicContact CD2-CG 4.22Å; L899-L903 WeakPolarHBondContact O-CB 3.48Å; L899-L903 WeakPolarHBondContact O-CG 3.48Å; L899-L903 PolarHBondContact O-N 2.13Å; L899-A910 HydrophobicContact CB-CB 4.42Å; L899-V914 HydrophobicContact CD1-CG2 4.09Å |
| 900 | S | 65.8 | Low | 64.9 | Low | 19 Ų | 19 | 95 Ų | 95 | 13% | 0.133 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 172.1 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | L896 S897 H904 M905 | L896-S900 PolarHBondContact O-N 3.32Å; L896-S900 VanDerWaalsContact O-N 3.09Å; S897-S900 PolarHBondContact O-N 3.24Å; S900-H904 PolarHBondContact O-N 2.89Å; S900-M905 VanDerWaalsContact CA-O 3.25Å; S900-M905 WeakPolarHBondContact CA-O 3.42Å; S900-M905 WeakPolarHBondContact CB-O 3.31Å; S900-M905 PolarHBondContact O-N 2.88Å; S900-M905 PolarHBondContact OG-O 3.4Å |
| 901 | N | 67.9 | Low | 65.9 | Low | 128 Ų | 128 | 91.7 Ų | 91.7 | 68% | 0.684 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -70.7 | -35 | 178.2 | -73.5 | -13.6 | 0 | 0 | 0 | 113.6 | S897 F898 | S897-N901 PolarHBondContact O-N 2.9Å; S897-N901 VanDerWaalsContact O-N 3.09Å; F898-N901 PolarHBondContact O-N 3.04Å |
| 902 | Q | 75 | Confident | 67.2 | Low | 137 Ų | 137 | 86.6 Ų | 86.6 | 64% | 0.64 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72 | -38.3 | 178 | -93.3 | -94.7 | -58.1 | 0 | 0 | 113.4 | F898 L899 | F898-Q902 HydrophobicContact CE1-CG 4.12Å; F898-Q902 HydrophobicContact CE2-CG 4.27Å; F898-Q902 HydrophobicContact CZ-CG 3.9Å; F898-Q902 PolarHBondContact O-N 3.29Å; L899-Q902 PolarHBondContact O-N 2.93Å |
| 903 | L | 72.8 | Confident | 68.4 | Low | 68 Ų | 68 | 82.4 Ų | 82.4 | 36% | 0.356 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -93.8 | -5 | -173.8 | -62.7 | 175.5 | 0 | 0 | 0 | 113.8 | L899 M905 F913 | L899-L903 HydrophobicContact CD2-CD1 3.78Å; L899-L903 HydrophobicContact CD2-CG 4.22Å; L899-L903 WeakPolarHBondContact O-CB 3.48Å; L899-L903 WeakPolarHBondContact O-CG 3.48Å; L899-L903 PolarHBondContact O-N 2.13Å; L903-M905 HydrophobicContact CB-CB 4.26Å; L903-M905 HydrophobicContact CB-CG 3.92Å; L903-M905 HydrophobicContact CB-SD 4.03Å; L903-M905 HydrophobicContact CD1-SD 4.21Å; L903-M905 PolarHBondContact O-N 3.35Å; L903-F913 HydrophobicContact CD1-CD1 4.29Å |
| 904 | H | 65.5 | Low | 69.6 | Low | 182 Ų | 182 | 78.1 Ų | 78.1 | 84% | 0.843 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 31.1 | -167.4 | -66.7 | -74.2 | 0 | 0 | 0 | 113.6 | S900 | S900-H904 PolarHBondContact O-N 2.89Š|
| 905 | M | 70.7 | Confident | 70.3 | Confident | 80 Ų | 80 | 79.6 Ų | 79.6 | 39% | 0.394 | 45% | 0.447 | S | S | . | . | trans | -109.8 | 139.2 | 177.5 | -62.6 | 177.4 | 80.9 | 0 | 0 | 109.6 | S900 L903 | S900-M905 VanDerWaalsContact CA-O 3.25Å; S900-M905 WeakPolarHBondContact CA-O 3.42Å; S900-M905 WeakPolarHBondContact CB-O 3.31Å; S900-M905 PolarHBondContact O-N 2.88Å; S900-M905 PolarHBondContact OG-O 3.4Å; L903-M905 HydrophobicContact CB-CB 4.26Å; L903-M905 HydrophobicContact CB-CG 3.92Å; L903-M905 HydrophobicContact CB-SD 4.03Å; L903-M905 HydrophobicContact CD1-SD 4.21Å; L903-M905 PolarHBondContact O-N 3.35Å | ||
| 906 | G | 70.1 | Confident | 71.2 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 54% | 0.536 | 43% | 0.434 | S | S | . | . | trans | -61.5 | 158.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T908 G909 A910 | G906-T908 PolarHBondContact O-N 2.93Å; G906-G909 WeakPolarHBondContact O-CA 3.15Å; G906-G909 PolarHBondContact O-N 2.87Å; G906-A910 PolarHBondContact O-N 3.07Å; G906-A910 VanDerWaalsContact O-N 3.11Å | ||
| 907 | C | 66 | Low | 71.8 | Confident | 53 Ų | 53 | 78.1 Ų | 78.1 | 36% | 0.358 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -49.4 | -39 | -174.1 | -77.2 | 0 | 0 | 0 | 0 | 114.2 | C894 G909 A910 T911 | C894-C907 HydrophobicContact CB-CB 3.99Å; C894-C907 WeakPolarHBondContact CB-SG 3.44Å; C894-C907 WeakPolarHBondContact SG-CB 3.46Å; C894-C907 CovalentContact SG-SG 2.04Å; C894-C907 PolarHBondContact SG-SG 2.83Å; C907-G909 PolarHBondContact O-N 3.26Å; C907-A910 PolarHBondContact O-N 2.82Å; C907-T911 PolarHBondContact O-N 2.84Å; C907-T911 PolarHBondContact O-OG1 2.87Å; C907-T911 VanDerWaalsContact O-OG1 3.14Å |
| 908 | T | 67.6 | Low | 72.6 | Confident | 114 Ų | 114 | 78.4 Ų | 78.4 | 70% | 0.699 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.7 | -36.9 | 176.1 | -31.9 | 0 | 0 | 0 | 0 | 113 | G906 T911 V912 | G906-T908 PolarHBondContact O-N 2.93Å; T908-T911 PolarHBondContact O-OG1 2.95Å; T908-T911 VanDerWaalsContact O-OG1 3.1Å; T908-V912 VanDerWaalsContact O-CG2 3.28Å; T908-V912 WeakPolarHBondContact O-CG2 3.43Å; T908-V912 PolarHBondContact O-N 3.43Å; T908-V912 VanDerWaalsContact O-N 3.11Å |
| 909 | G | 73.3 | Confident | 72.5 | Confident | 23 Ų | 23 | 74.2 Ų | 74.2 | 24% | 0.237 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -69.7 | -37.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | G906 C907 V912 F913 | G906-G909 WeakPolarHBondContact O-CA 3.15Å; G906-G909 PolarHBondContact O-N 2.87Å; C907-G909 PolarHBondContact O-N 3.26Å; G909-V912 PolarHBondContact O-N 3.19Å; G909-F913 WeakPolarHBondContact O-CB 3.43Å; G909-F913 PolarHBondContact O-N 2.95Å |
| 910 | A | 73.6 | Confident | 73.1 | Confident | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.008 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L899 G906 C907 V914 | L899-A910 HydrophobicContact CB-CB 4.42Å; G906-A910 PolarHBondContact O-N 3.07Å; G906-A910 VanDerWaalsContact O-N 3.11Å; C907-A910 PolarHBondContact O-N 2.82Å; A910-V914 WeakPolarHBondContact O-CG2 3.19Å; A910-V914 PolarHBondContact O-N 3.17Å |
| 911 | T | 71.8 | Confident | 73.8 | Confident | 58 Ų | 58 | 80.5 Ų | 80.5 | 36% | 0.356 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.7 | -44.3 | 173.4 | 36.8 | 0 | 0 | 0 | 0 | 112.3 | L896 C907 T908 F913 V914 T915 | L896-T911 HydrophobicContact CD1-CG2 3.94Å; C907-T911 PolarHBondContact O-N 2.84Å; C907-T911 PolarHBondContact O-OG1 2.87Å; C907-T911 VanDerWaalsContact O-OG1 3.14Å; T908-T911 PolarHBondContact O-OG1 2.95Å; T908-T911 VanDerWaalsContact O-OG1 3.1Å; T911-F913 VanDerWaalsContact C-N 3.35Å; T911-F913 PolarHBondContact O-N 3.29Å; T911-V914 PolarHBondContact O-N 3.47Å; T911-T915 WeakPolarHBondContact O-CG2 3.36Å; T911-T915 PolarHBondContact O-N 2.98Å; T911-T915 PolarHBondContact O-OG1 2.8Å; T911-T915 VanDerWaalsContact O-OG1 3.12Å |
| 912 | V | 76 | Confident | 74.3 | Confident | 82 Ų | 82 | 78.1 Ų | 78.1 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 177 | 170 | 0 | 0 | 0 | 0 | 111.7 | T908 G909 V914 T915 V916 | T908-V912 VanDerWaalsContact O-CG2 3.28Å; T908-V912 WeakPolarHBondContact O-CG2 3.43Å; T908-V912 PolarHBondContact O-N 3.43Å; T908-V912 VanDerWaalsContact O-N 3.11Å; G909-V912 PolarHBondContact O-N 3.19Å; V912-V914 PolarHBondContact O-N 3.38Å; V912-T915 PolarHBondContact O-N 2.82Å; V912-T915 PolarHBondContact O-OG1 3.4Å; V912-V916 HydrophobicContact CG1-CG2 4.11Å; V912-V916 WeakPolarHBondContact O-CB 3.41Å; V912-V916 VanDerWaalsContact O-CG2 3.26Å; V912-V916 WeakPolarHBondContact O-CG2 3.37Å; V912-V916 PolarHBondContact O-N 2.94Å |
| 913 | F | 79.7 | Confident | 74.1 | Confident | 108 Ų | 108 | 75.4 Ų | 75.4 | 47% | 0.474 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 177.5 | -174.8 | -96 | 0 | 0 | 0 | 112.1 | L903 G909 T911 T917 | L903-F913 HydrophobicContact CD1-CD1 4.29Å; G909-F913 WeakPolarHBondContact O-CB 3.43Å; G909-F913 PolarHBondContact O-N 2.95Å; T911-F913 VanDerWaalsContact C-N 3.35Å; T911-F913 PolarHBondContact O-N 3.29Å; F913-T917 WeakPolarHBondContact O-CB 3.41Å; F913-T917 PolarHBondContact O-N 2.89Å; F913-T917 VanDerWaalsContact O-N 3.09Å; F913-T917 PolarHBondContact O-OG1 3.39Å |
| 914 | V | 78.6 | Confident | 74.3 | Confident | 46 Ų | 46 | 76.8 Ų | 76.8 | 28% | 0.279 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.6 | -44.5 | 177.6 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | L896 L899 A910 T911 V912 T917 V918 | L896-V914 HydrophobicContact CD1-CB 4.27Å; L896-V914 HydrophobicContact CD1-CG2 3.97Å; L899-V914 HydrophobicContact CD1-CG2 4.09Å; A910-V914 WeakPolarHBondContact O-CG2 3.19Å; A910-V914 PolarHBondContact O-N 3.17Å; T911-V914 PolarHBondContact O-N 3.47Å; V912-V914 PolarHBondContact O-N 3.38Å; V914-T917 PolarHBondContact O-N 2.9Å; V914-V918 HydrophobicContact CG1-CG2 4.4Å; V914-V918 WeakPolarHBondContact O-CG2 3.31Å; V914-V918 PolarHBondContact O-N 2.9Å |
| 915 | T | 73.6 | Confident | 74.8 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.2 | -35.7 | -178.9 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | T911 V912 T919 | T911-T915 WeakPolarHBondContact O-CG2 3.36Å; T911-T915 PolarHBondContact O-N 2.98Å; T911-T915 PolarHBondContact O-OG1 2.8Å; T911-T915 VanDerWaalsContact O-OG1 3.12Å; V912-T915 PolarHBondContact O-N 2.82Å; V912-T915 PolarHBondContact O-OG1 3.4Å; T915-T919 WeakPolarHBondContact O-CB 3.37Å; T915-T919 WeakPolarHBondContact O-CG2 3.23Å; T915-T919 PolarHBondContact O-N 3.3Å; T915-T919 PolarHBondContact O-OG1 3.08Å |
| 916 | V | 80 | Confident | 75.3 | Confident | 77 Ų | 77 | 72.3 Ų | 72.3 | 47% | 0.467 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 171.5 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | V912 V918 T919 V920 | V912-V916 HydrophobicContact CG1-CG2 4.11Å; V912-V916 WeakPolarHBondContact O-CB 3.41Å; V912-V916 VanDerWaalsContact O-CG2 3.26Å; V912-V916 WeakPolarHBondContact O-CG2 3.37Å; V912-V916 PolarHBondContact O-N 2.94Å; V916-V918 PolarHBondContact O-N 3.06Å; V916-T919 WeakPolarHBondContact CA-OG1 3.39Å; V916-T919 PolarHBondContact O-N 2.92Å; V916-T919 PolarHBondContact O-OG1 2.84Å; V916-V920 HydrophobicContact CG1-CG2 4.46Å; V916-V920 WeakPolarHBondContact O-CB 3.37Å; V916-V920 WeakPolarHBondContact O-CG2 3.4Å; V916-V920 PolarHBondContact O-N 3.29Å |
| 917 | T | 78.4 | Confident | 75.7 | Confident | 60 Ų | 60 | 75 Ų | 75 | 37% | 0.368 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 179.5 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | F913 V914 L921 | F913-T917 WeakPolarHBondContact O-CB 3.41Å; F913-T917 PolarHBondContact O-N 2.89Å; F913-T917 VanDerWaalsContact O-N 3.09Å; F913-T917 PolarHBondContact O-OG1 3.39Å; V914-T917 PolarHBondContact O-N 2.9Å; T917-L921 HydrophobicContact CG2-CD1 3.92Å; T917-L921 WeakPolarHBondContact O-CB 3.25Å; T917-L921 WeakPolarHBondContact O-CG 3.43Å; T917-L921 PolarHBondContact O-N 3.45Å; T917-L921 VanDerWaalsContact O-N 3.11Å |
| 918 | V | 78.8 | Confident | 76.3 | Confident | 75 Ų | 75 | 77.1 Ų | 77.1 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -71.3 | -39.6 | 177.6 | 173 | 0 | 0 | 0 | 0 | 112.3 | V914 V916 V922 | V914-V918 HydrophobicContact CG1-CG2 4.4Å; V914-V918 WeakPolarHBondContact O-CG2 3.31Å; V914-V918 PolarHBondContact O-N 2.9Å; V916-V918 PolarHBondContact O-N 3.06Å; V918-V922 HydrophobicContact CG1-CB 4.49Å; V918-V922 HydrophobicContact CG1-CG2 4.34Å; V918-V922 WeakPolarHBondContact O-CB 3.17Å; V918-V922 PolarHBondContact O-N 2.66Å |
| 919 | T | 71.4 | Confident | 77 | Confident | 61 Ų | 61 | 78.6 Ų | 78.6 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | I | π-helix | trans | -65.2 | -41.1 | 178.1 | 44 | 0 | 0 | 0 | 0 | 112 | T915 V916 L923 L924 | T915-T919 WeakPolarHBondContact O-CB 3.37Å; T915-T919 WeakPolarHBondContact O-CG2 3.23Å; T915-T919 PolarHBondContact O-N 3.3Å; T915-T919 PolarHBondContact O-OG1 3.08Å; V916-T919 WeakPolarHBondContact CA-OG1 3.39Å; V916-T919 PolarHBondContact O-N 2.92Å; V916-T919 PolarHBondContact O-OG1 2.84Å; T919-L923 HydrophobicContact CG2-CD1 3.75Å; T919-L923 PolarHBondContact O-N 3.43Å; T919-L923 VanDerWaalsContact O-N 3.13Å; T919-L924 PolarHBondContact O-N 2.86Å |
| 920 | V | 78.7 | Confident | 77.2 | Confident | 80 Ų | 80 | 79.9 Ų | 79.9 | 49% | 0.485 | 45% | 0.451 | S | S | . | . | I | π-helix | trans | -67.3 | -45.4 | 177 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | V916 | V916-V920 HydrophobicContact CG1-CG2 4.46Å; V916-V920 WeakPolarHBondContact O-CB 3.37Å; V916-V920 WeakPolarHBondContact O-CG2 3.4Å; V916-V920 PolarHBondContact O-N 3.29Å |
| 921 | L | 80.2 | Confident | 77.4 | Confident | 124 Ų | 124 | 84.9 Ų | 84.9 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | I | π-helix | trans | -81 | -26.9 | -174.9 | -66.2 | 177.3 | 0 | 0 | 0 | 114.5 | T917 | T917-L921 HydrophobicContact CG2-CD1 3.92Å; T917-L921 WeakPolarHBondContact O-CB 3.25Å; T917-L921 WeakPolarHBondContact O-CG 3.43Å; T917-L921 PolarHBondContact O-N 3.45Å; T917-L921 VanDerWaalsContact O-N 3.11Å |
| 922 | V | 77.8 | Confident | 77.7 | Confident | 78 Ų | 78 | 89.3 Ų | 89.3 | 47% | 0.473 | 49% | 0.489 | S | S | . | . | I | π-helix | trans | -118.5 | -48.7 | -172 | -172.4 | 0 | 0 | 0 | 0 | 112.8 | V918 L926 | V918-V922 HydrophobicContact CG1-CB 4.49Å; V918-V922 HydrophobicContact CG1-CG2 4.34Å; V918-V922 WeakPolarHBondContact O-CB 3.17Å; V918-V922 PolarHBondContact O-N 2.66Å; V922-L926 HydrophobicContact CG1-CD1 4.07Å; V922-L926 VanDerWaalsContact O-CG 3.32Å; V922-L926 WeakPolarHBondContact O-CG 3.4Å; V922-L926 PolarHBondContact O-N 3.35Å |
| 923 | L | 70.7 | Confident | 77.8 | Confident | 79 Ų | 79 | 91.4 Ų | 91.4 | 41% | 0.414 | 49% | 0.489 | S | S | . | . | I | π-helix | trans | -80.9 | -33.5 | -173.2 | -75.4 | 163.6 | 0 | 0 | 0 | 113.4 | T919 L926 I927 | T919-L923 HydrophobicContact CG2-CD1 3.75Å; T919-L923 PolarHBondContact O-N 3.43Å; T919-L923 VanDerWaalsContact O-N 3.13Å; L923-L926 HydrophobicContact CD2-CD1 4.38Å; L923-L926 PolarHBondContact O-N 2.94Å; L923-I927 HydrophobicContact CB-CD1 4.46Å; L923-I927 WeakPolarHBondContact O-CB 3.39Å; L923-I927 VanDerWaalsContact O-CG1 3.23Å; L923-I927 WeakPolarHBondContact O-CG1 3.46Å; L923-I927 PolarHBondContact O-N 3.41Å |
| 924 | L | 77.1 | Confident | 77.4 | Confident | 97 Ų | 97 | 92.1 Ų | 92.1 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.7 | -49.3 | 175.4 | -117.8 | 169.2 | 0 | 0 | 0 | 112.4 | T919 L926 I927 V928 | T919-L924 PolarHBondContact O-N 2.86Å; L924-L926 PolarHBondContact O-N 2.98Å; L924-I927 PolarHBondContact O-N 3.21Å; L924-V928 WeakPolarHBondContact O-CG2 3.39Å; L924-V928 PolarHBondContact O-N 2.88Å |
| 925 | P | 77.4 | Confident | 77.3 | Confident | 75 Ų | 75 | 97.5 Ų | 97.5 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.1 | -42.7 | 171.5 | -26.5 | 35.6 | 0 | 0 | 0 | 113.6 | V928 F929 | P925-V928 PolarHBondContact O-N 3.27Å; P925-F929 WeakPolarHBondContact O-CB 3.2Å; P925-F929 PolarHBondContact O-N 3.35Å |
| 926 | L | 80.9 | Confident | 77.5 | Confident | 94 Ų | 94 | 101 Ų | 101 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 178.9 | -73.4 | 172.4 | 0 | 0 | 0 | 112.8 | V922 L923 L924 F929 A930 | V922-L926 HydrophobicContact CG1-CD1 4.07Å; V922-L926 VanDerWaalsContact O-CG 3.32Å; V922-L926 WeakPolarHBondContact O-CG 3.4Å; V922-L926 PolarHBondContact O-N 3.35Å; L923-L926 HydrophobicContact CD2-CD1 4.38Å; L923-L926 PolarHBondContact O-N 2.94Å; L924-L926 PolarHBondContact O-N 2.98Å; L926-F929 PolarHBondContact O-N 3.34Å; L926-A930 WeakPolarHBondContact O-CB 3.43Å; L926-A930 PolarHBondContact O-N 3.33Å |
| 927 | I | 78.6 | Confident | 77.2 | Confident | 108 Ų | 108 | 102 Ų | 102 | 55% | 0.554 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.3 | -41.3 | 176.7 | -70.5 | 163.9 | 0 | 0 | 0 | 110.6 | L923 L924 A930 H931 | L923-I927 HydrophobicContact CB-CD1 4.46Å; L923-I927 WeakPolarHBondContact O-CB 3.39Å; L923-I927 VanDerWaalsContact O-CG1 3.23Å; L923-I927 WeakPolarHBondContact O-CG1 3.46Å; L923-I927 PolarHBondContact O-N 3.41Å; L924-I927 PolarHBondContact O-N 3.21Å; I927-A930 PolarHBondContact O-N 2.76Å; I927-H931 VanDerWaalsContact O-CB 3.3Å; I927-H931 WeakPolarHBondContact O-CB 3.24Å; I927-H931 PolarHBondContact O-N 3.42Å |
| 928 | V | 78.8 | Confident | 76.7 | Confident | 97 Ų | 97 | 103.7 Ų | 103.7 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63 | -45 | 174.3 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | L924 P925 H931 F932 | L924-V928 WeakPolarHBondContact O-CG2 3.39Å; L924-V928 PolarHBondContact O-N 2.88Å; P925-V928 PolarHBondContact O-N 3.27Å; V928-H931 PolarHBondContact O-N 2.98Å; V928-F932 WeakPolarHBondContact O-CB 3.34Å; V928-F932 PolarHBondContact O-N 3.21Å |
| 929 | F | 82.3 | Confident | 76.3 | Confident | 145 Ų | 145 | 107 Ų | 107 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.4 | -46 | 175.3 | -177.1 | -96.8 | 0 | 0 | 0 | 112.1 | P925 L926 H931 F932 Y933 | P925-F929 WeakPolarHBondContact O-CB 3.2Å; P925-F929 PolarHBondContact O-N 3.35Å; L926-F929 PolarHBondContact O-N 3.34Å; F929-H931 PolarHBondContact O-N 2.93Å; F929-F932 PolarHBondContact O-N 3.41Å; F929-Y933 WeakPolarHBondContact O-CB 3.5Å; F929-Y933 PolarHBondContact O-N 3.38Å |
| 930 | A | 77.6 | Confident | 76.4 | Confident | 50 Ų | 50 | 108.2 Ų | 108.2 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L926 I927 Y933 Y934 | L926-A930 WeakPolarHBondContact O-CB 3.43Å; L926-A930 PolarHBondContact O-N 3.33Å; I927-A930 PolarHBondContact O-N 2.76Å; A930-Y933 PolarHBondContact O-N 3.12Å; A930-Y934 WeakPolarHBondContact O-CB 3.19Å; A930-Y934 PolarHBondContact O-N 2.9Å |
| 931 | H | 76.5 | Confident | 75.9 | Confident | 107 Ų | 107 | 108.8 Ų | 108.8 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 175.4 | -172 | 72.1 | 0 | 0 | 0 | 111.9 | I927 V928 F929 Y934 R935 | I927-H931 VanDerWaalsContact O-CB 3.3Å; I927-H931 WeakPolarHBondContact O-CB 3.24Å; I927-H931 PolarHBondContact O-N 3.42Å; V928-H931 PolarHBondContact O-N 2.98Å; F929-H931 PolarHBondContact O-N 2.93Å; H931-Y934 PolarHBondContact O-N 3.4Å; H931-R935 PolarHBondContact NE2-NE 3.11Å; H931-R935 PolarHBondContact NE2-NH2 3.43Å; H931-R935 WeakPolarHBondContact O-CB 3.42Å; H931-R935 WeakPolarHBondContact O-CG 3.46Å; H931-R935 PolarHBondContact O-N 3.35Å |
| 932 | F | 77.8 | Confident | 75.2 | Confident | 151 Ų | 151 | 108 Ų | 108 | 66% | 0.662 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.3 | -42.7 | 175.9 | -158.8 | -88.3 | 0 | 0 | 0 | 111.7 | V928 F929 R936 | V928-F932 WeakPolarHBondContact O-CB 3.34Å; V928-F932 PolarHBondContact O-N 3.21Å; F929-F932 PolarHBondContact O-N 3.41Å; F932-R936 WeakPolarHBondContact O-CB 3.14Å; F932-R936 PolarHBondContact O-N 2.83Å |
| 933 | Y | 78.6 | Confident | 74.9 | Confident | 126 Ų | 126 | 108.7 Ų | 108.7 | 49% | 0.494 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -46 | 173.7 | 176.5 | -94.5 | 0 | 0 | 0 | 112 | F929 A930 R936 K937 | F929-Y933 WeakPolarHBondContact O-CB 3.5Å; F929-Y933 PolarHBondContact O-N 3.38Å; A930-Y933 PolarHBondContact O-N 3.12Å; Y933-R936 PolarHBondContact O-N 3.39Å; Y933-K937 HydrophobicContact CE1-CD 3.99Å; Y933-K937 WeakPolarHBondContact O-CB 3.49Å; Y933-K937 PolarHBondContact O-N 3.28Å |
| 934 | Y | 72.2 | Confident | 74.9 | Confident | 123 Ų | 123 | 114.4 Ų | 114.4 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 179.8 | -136.3 | -77.2 | 0 | 0 | 0 | 111.8 | A930 H931 R936 K937 L938 | A930-Y934 WeakPolarHBondContact O-CB 3.19Å; A930-Y934 PolarHBondContact O-N 2.9Å; H931-Y934 PolarHBondContact O-N 3.4Å; Y934-R936 VanDerWaalsContact C-N 3.33Å; Y934-R936 PolarHBondContact O-N 2.86Å; Y934-K937 PolarHBondContact O-N 2.88Å; Y934-L938 HydrophobicContact CD1-CD1 3.94Å; Y934-L938 HydrophobicContact CD1-CG 4.08Å; Y934-L938 HydrophobicContact CE1-CD1 4.47Å; Y934-L938 HydrophobicContact CE1-CG 4.44Å; Y934-L938 WeakPolarHBondContact O-CB 3.13Å; Y934-L938 WeakPolarHBondContact O-CG 3.38Å; Y934-L938 PolarHBondContact O-N 3.28Å |
| 935 | R | 75.9 | Confident | 74.5 | Confident | 159 Ų | 159 | 112.9 Ų | 112.9 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.3 | -41.3 | 171.3 | -79.9 | -170 | -179.6 | -149.5 | 0.9 | 112.1 | H931 K939 | H931-R935 PolarHBondContact NE2-NE 3.11Å; H931-R935 PolarHBondContact NE2-NH2 3.43Å; H931-R935 WeakPolarHBondContact O-CB 3.42Å; H931-R935 WeakPolarHBondContact O-CG 3.46Å; H931-R935 PolarHBondContact O-N 3.35Å; R935-K939 PolarHBondContact O-N 3.24Å; R935-K939 VanDerWaalsContact O-N 3.14Å |
| 936 | R | 77.7 | Confident | 74.4 | Confident | 156 Ų | 156 | 113.8 Ų | 113.8 | 59% | 0.589 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -48.1 | 176.1 | -179.5 | 173.5 | 177.4 | 156.4 | 3.4 | 111.2 | F932 Y933 Y934 L938 K939 E940 | F932-R936 WeakPolarHBondContact O-CB 3.14Å; F932-R936 PolarHBondContact O-N 2.83Å; Y933-R936 PolarHBondContact O-N 3.39Å; Y934-R936 VanDerWaalsContact C-N 3.33Å; Y934-R936 PolarHBondContact O-N 2.86Å; R936-L938 VanDerWaalsContact C-N 3.35Å; R936-L938 PolarHBondContact O-N 2.89Å; R936-K939 PolarHBondContact O-N 2.96Å; R936-E940 VanDerWaalsContact CG-OE1 3.28Å; R936-E940 WeakPolarHBondContact CG-OE1 3.28Å; R936-E940 IonicContact CZ-OE1 3.75Å; R936-E940 IonicContact NE-OE1 3.88Å; R936-E940 PolarHBondContact NE-OE1 3.46Å; R936-E940 IonicContact NH2-OE1 2.72Å; R936-E940 WeakPolarHBondContact O-CG 3.3Å; R936-E940 PolarHBondContact O-N 2.93Å |
| 937 | K | 73.7 | Confident | 74.3 | Confident | 96 Ų | 96 | 115 Ų | 115 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -37 | 178.4 | -166.3 | 171.4 | -174.9 | 173.7 | 0 | 112.7 | Y933 Y934 E940 I941 | Y933-K937 HydrophobicContact CE1-CD 3.99Å; Y933-K937 WeakPolarHBondContact O-CB 3.49Å; Y933-K937 PolarHBondContact O-N 3.28Å; Y934-K937 PolarHBondContact O-N 2.88Å; K937-E940 PolarHBondContact O-N 3.15Å; K937-I941 HydrophobicContact CG-CD1 4.34Å; K937-I941 VanDerWaalsContact O-CG1 3.3Å; K937-I941 WeakPolarHBondContact O-CG1 3.5Å; K937-I941 PolarHBondContact O-N 3.46Å |
| 938 | L | 69.1 | Low | 74.4 | Confident | 97 Ų | 97 | 112.5 Ų | 112.5 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 172.7 | -78 | 168.1 | 0 | 0 | 0 | 112 | Y934 R936 E940 I941 E942 | Y934-L938 HydrophobicContact CD1-CD1 3.94Å; Y934-L938 HydrophobicContact CD1-CG 4.08Å; Y934-L938 HydrophobicContact CE1-CD1 4.47Å; Y934-L938 HydrophobicContact CE1-CG 4.44Å; Y934-L938 WeakPolarHBondContact O-CB 3.13Å; Y934-L938 WeakPolarHBondContact O-CG 3.38Å; Y934-L938 PolarHBondContact O-N 3.28Å; R936-L938 VanDerWaalsContact C-N 3.35Å; R936-L938 PolarHBondContact O-N 2.89Å; L938-E940 VanDerWaalsContact C-N 3.3Å; L938-E940 PolarHBondContact O-N 3.38Å; L938-I941 PolarHBondContact O-N 3.05Å; L938-E942 WeakPolarHBondContact O-CB 3.36Å; L938-E942 PolarHBondContact O-N 3.28Å |
| 939 | K | 70.4 | Confident | 74.6 | Confident | 143 Ų | 143 | 109.1 Ų | 109.1 | 62% | 0.622 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.6 | -37.1 | 173.6 | -75.2 | -172.1 | 171.9 | -167.9 | 0 | 112.8 | R935 R936 N943 | R935-K939 PolarHBondContact O-N 3.24Å; R935-K939 VanDerWaalsContact O-N 3.14Å; R936-K939 PolarHBondContact O-N 2.96Å; K939-N943 WeakPolarHBondContact O-CB 3.47Å; K939-N943 PolarHBondContact O-N 2.88Å |
| 940 | E | 73 | Confident | 74.6 | Confident | 88 Ų | 88 | 106 Ų | 106 | 41% | 0.411 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.6 | -34.5 | 175.7 | -72.5 | 170.3 | -168.3 | 0 | 0 | 112 | R936 K937 L938 R944 | R936-E940 VanDerWaalsContact CG-OE1 3.28Å; R936-E940 WeakPolarHBondContact CG-OE1 3.28Å; R936-E940 IonicContact CZ-OE1 3.75Å; R936-E940 IonicContact NE-OE1 3.88Å; R936-E940 PolarHBondContact NE-OE1 3.46Å; R936-E940 IonicContact NH2-OE1 2.72Å; R936-E940 WeakPolarHBondContact O-CG 3.3Å; R936-E940 PolarHBondContact O-N 2.93Å; K937-E940 PolarHBondContact O-N 3.15Å; L938-E940 VanDerWaalsContact C-N 3.3Å; L938-E940 PolarHBondContact O-N 3.38Å; E940-R944 WeakPolarHBondContact O-CB 3.49Å; E940-R944 VanDerWaalsContact O-CG 3.25Å; E940-R944 WeakPolarHBondContact O-CG 3.49Å; E940-R944 PolarHBondContact O-N 3.35Å; E940-R944 VanDerWaalsContact O-N 3.12Å |
| 941 | I | 67.7 | Low | 75 | Confident | 91 Ų | 91 | 108 Ų | 108 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.1 | -46.4 | 172.8 | -68.9 | 163.3 | 0 | 0 | 0 | 111.2 | K937 L938 N943 R944 T945 | K937-I941 HydrophobicContact CG-CD1 4.34Å; K937-I941 VanDerWaalsContact O-CG1 3.3Å; K937-I941 WeakPolarHBondContact O-CG1 3.5Å; K937-I941 PolarHBondContact O-N 3.46Å; L938-I941 PolarHBondContact O-N 3.05Å; I941-N943 PolarHBondContact O-N 3.05Å; I941-R944 WeakPolarHBondContact O-CB 3.36Å; I941-R944 PolarHBondContact O-N 2.85Å; I941-R944 VanDerWaalsContact O-N 3.1Å; I941-T945 PolarHBondContact O-N 3.12Å |
| 942 | E | 66.2 | Low | 75.4 | Confident | 109 Ų | 109 | 103.5 Ų | 103.5 | 51% | 0.509 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.7 | -50.8 | 177.4 | -173.2 | 179 | -177.1 | 0 | 0 | 110.6 | L938 R944 T945 R946 | L938-E942 WeakPolarHBondContact O-CB 3.36Å; L938-E942 PolarHBondContact O-N 3.28Å; E942-R944 VanDerWaalsContact C-N 3.32Å; E942-R944 PolarHBondContact O-N 3.33Å; E942-T945 PolarHBondContact O-N 3.11Å; E942-T945 PolarHBondContact O-OG1 3.19Å; E942-R946 WeakPolarHBondContact O-CB 3.29Å; E942-R946 PolarHBondContact O-N 2.85Å |
| 943 | N | 71.2 | Confident | 75.8 | Confident | 92 Ų | 92 | 97.4 Ų | 97.4 | 49% | 0.492 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.1 | -38 | 174.7 | -78.5 | -5.1 | 0 | 0 | 0 | 112.8 | K939 I941 T945 R946 K947 | K939-N943 WeakPolarHBondContact O-CB 3.47Å; K939-N943 PolarHBondContact O-N 2.88Å; I941-N943 PolarHBondContact O-N 3.05Å; N943-T945 VanDerWaalsContact C-N 3.32Å; N943-T945 PolarHBondContact O-N 2.99Å; N943-R946 PolarHBondContact O-N 3.24Å; N943-K947 VanDerWaalsContact O-CB 3.3Å; N943-K947 WeakPolarHBondContact O-CB 3.47Å; N943-K947 PolarHBondContact O-N 2.89Å |
| 944 | R | 71 | Confident | 76.2 | Confident | 198 Ų | 198 | 96.5 Ų | 96.5 | 75% | 0.747 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.2 | -32.4 | 174.4 | -79.1 | 175.3 | -175.1 | -154.5 | 2.4 | 113.1 | E940 I941 E942 P948 | E940-R944 WeakPolarHBondContact O-CB 3.49Å; E940-R944 VanDerWaalsContact O-CG 3.25Å; E940-R944 WeakPolarHBondContact O-CG 3.49Å; E940-R944 PolarHBondContact O-N 3.35Å; E940-R944 VanDerWaalsContact O-N 3.12Å; I941-R944 WeakPolarHBondContact O-CB 3.36Å; I941-R944 PolarHBondContact O-N 2.85Å; I941-R944 VanDerWaalsContact O-N 3.1Å; E942-R944 VanDerWaalsContact C-N 3.32Å; E942-R944 PolarHBondContact O-N 3.33Å; R944-P948 WeakPolarHBondContact O-CD 3.31Å |
| 945 | T | 67.2 | Low | 77 | Confident | 66 Ų | 66 | 94.7 Ų | 94.7 | 41% | 0.405 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -80.2 | -27.7 | 174.3 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | I941 E942 N943 | I941-T945 PolarHBondContact O-N 3.12Å; E942-T945 PolarHBondContact O-N 3.11Å; E942-T945 PolarHBondContact O-OG1 3.19Å; N943-T945 VanDerWaalsContact C-N 3.32Å; N943-T945 PolarHBondContact O-N 2.99Å |
| 946 | R | 76.6 | Confident | 77.7 | Confident | 93 Ų | 93 | 87.1 Ų | 87.1 | 35% | 0.351 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -82.6 | -40.1 | -178.6 | -167.2 | -179.8 | 104.5 | 170.8 | 17.1 | 113.2 | E942 N943 F949 E950 Y1005 | E942-R946 WeakPolarHBondContact O-CB 3.29Å; E942-R946 PolarHBondContact O-N 2.85Å; N943-R946 PolarHBondContact O-N 3.24Å; R946-F949 WeakPolarHBondContact O-CA 3.47Å; R946-F949 WeakPolarHBondContact O-CB 3.45Å; R946-F949 PolarHBondContact O-N 2.96Å; R946-E950 HydrophobicContact CG-CG 4.15Å; R946-E950 WeakPolarHBondContact CG-OE2 3.25Å; R946-E950 IonicContact CZ-OE1 3.47Å; R946-E950 VanDerWaalsContact CZ-OE1 3.24Å; R946-E950 IonicContact CZ-OE2 2.6Å; R946-E950 IonicContact NE-OE1 2.92Å; R946-E950 PolarHBondContact NE-OE1 2.95Å; R946-E950 VanDerWaalsContact NE-OE1 3.08Å; R946-E950 IonicContact NE-OE2 3.46Å; R946-E950 PolarHBondContact NE-OE2 3.03Å; R946-E950 IonicContact NH2-OE1 3.48Å; R946-E950 PolarHBondContact NH2-OE1 3.27Å; R946-E950 IonicContact NH2-OE2 3.37Å; R946-E950 PolarHBondContact NH2-OE2 3.26Å; R946-E950 PolarHBondContact O-N 3.34Å; R946-Y1005 HydrophobicContact CB-CE1 4.42Å; R946-Y1005 HydrophobicContact CB-CE2 4.24Å; R946-Y1005 HydrophobicContact CG-CE1 3.94Å; R946-Y1005 HydrophobicContact CG-CE2 4.33Å |
| 947 | K | 78.2 | Confident | 78.3 | Confident | 119 Ų | 119 | 82.5 Ų | 82.5 | 52% | 0.517 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -55.8 | -44.6 | -175.1 | -174.2 | 172.2 | -173.2 | -77.5 | 0 | 113.8 | N943 F949 E950 E951 | N943-K947 VanDerWaalsContact O-CB 3.3Å; N943-K947 WeakPolarHBondContact O-CB 3.47Å; N943-K947 PolarHBondContact O-N 2.89Å; K947-F949 VanDerWaalsContact C-N 3.26Å; K947-F949 PolarHBondContact O-N 2.71Å; K947-E950 PolarHBondContact O-N 3.23Å; K947-E951 HydrophobicContact CG-CG 4.33Å; K947-E951 IonicContact NZ-OE1 3.2Å; K947-E951 PolarHBondContact NZ-OE1 2.73Å; K947-E951 WeakPolarHBondContact O-CB 3.25Å; K947-E951 VanDerWaalsContact O-CG 3.28Å; K947-E951 WeakPolarHBondContact O-CG 3.36Å; K947-E951 PolarHBondContact O-N 3.46Å |
| 948 | P | 80.1 | Confident | 79 | Confident | 56 Ų | 56 | 82.9 Ų | 82.9 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.6 | -27.8 | 177.1 | -21.4 | 34.2 | 0 | 0 | 0 | 113.6 | R944 L952 I1009 | R944-P948 WeakPolarHBondContact O-CD 3.31Å; P948-L952 VanDerWaalsContact O-CB 3.25Å; P948-L952 WeakPolarHBondContact O-CB 3.29Å; P948-L952 PolarHBondContact O-N 3.05Å; P948-L952 VanDerWaalsContact O-N 3.15Å; P948-I1009 HydrophobicContact CB-CD1 4.07Å |
| 949 | F | 82.9 | Confident | 80.1 | Confident | 27 Ų | 27 | 79.9 Ų | 79.9 | 12% | 0.118 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -73.3 | -43.5 | 173 | 168.7 | -98.5 | 0 | 0 | 0 | 111.2 | R946 K947 L952 C953 Y1005 K1008 I1009 L1012 L1040 | R946-F949 WeakPolarHBondContact O-CA 3.47Å; R946-F949 WeakPolarHBondContact O-CB 3.45Å; R946-F949 PolarHBondContact O-N 2.96Å; K947-F949 VanDerWaalsContact C-N 3.26Å; K947-F949 PolarHBondContact O-N 2.71Å; F949-L952 PolarHBondContact O-N 2.99Å; F949-C953 WeakPolarHBondContact CZ-SG 3.13Å; F949-C953 PolarHBondContact O-N 3.49Å; F949-C953 PolarHBondContact O-SG 2.89Å; F949-Y1005 HydrophobicContact CB-CD1 3.8Å; F949-Y1005 HydrophobicContact CB-CE1 4.31Å; F949-Y1005 AromaticContact CD1-CD1 3.9Å; F949-Y1005 HydrophobicContact CD1-CD1 3.9Å; F949-Y1005 AromaticContact CD1-CE1 3.64Å; F949-Y1005 HydrophobicContact CD1-CE1 3.64Å; F949-Y1005 HydrophobicContact CD2-CD1 4.48Å; F949-Y1005 HydrophobicContact CE1-CE1 4.19Å; F949-Y1005 AromaticContact CG-CD1 3.8Å; F949-Y1005 HydrophobicContact CG-CD1 3.8Å; F949-Y1005 HydrophobicContact CG-CE1 4.04Å; F949-K1008 HydrophobicContact CD2-CB 3.77Å; F949-K1008 HydrophobicContact CE2-CB 3.73Å; F949-K1008 HydrophobicContact CE2-CD 4.19Å; F949-K1008 HydrophobicContact CE2-CG 4.44Å; F949-K1008 HydrophobicContact CZ-CD 4.39Å; F949-I1009 HydrophobicContact CB-CD1 4.21Å; F949-I1009 HydrophobicContact CB-CG1 3.92Å; F949-L1012 HydrophobicContact CD2-CD1 3.99Å; F949-L1012 HydrophobicContact CE2-CD1 3.61Å; F949-L1040 HydrophobicContact CE2-CD1 3.83Å; F949-L1040 HydrophobicContact CZ-CD1 4.2Å |
| 950 | E | 83.1 | Confident | 81.1 | Confident | 78 Ų | 78 | 76.4 Ų | 76.4 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 176.2 | -70.5 | 176.5 | 122.4 | 0 | 0 | 112.4 | R946 K947 C953 T954 | R946-E950 HydrophobicContact CG-CG 4.15Å; R946-E950 WeakPolarHBondContact CG-OE2 3.25Å; R946-E950 IonicContact CZ-OE1 3.47Å; R946-E950 VanDerWaalsContact CZ-OE1 3.24Å; R946-E950 IonicContact CZ-OE2 2.6Å; R946-E950 IonicContact NE-OE1 2.92Å; R946-E950 PolarHBondContact NE-OE1 2.95Å; R946-E950 VanDerWaalsContact NE-OE1 3.08Å; R946-E950 IonicContact NE-OE2 3.46Å; R946-E950 PolarHBondContact NE-OE2 3.03Å; R946-E950 IonicContact NH2-OE1 3.48Å; R946-E950 PolarHBondContact NH2-OE1 3.27Å; R946-E950 IonicContact NH2-OE2 3.37Å; R946-E950 PolarHBondContact NH2-OE2 3.26Å; R946-E950 PolarHBondContact O-N 3.34Å; K947-E950 PolarHBondContact O-N 3.23Å; E950-C953 PolarHBondContact O-N 3.1Å; E950-T954 WeakPolarHBondContact O-CB 3.4Å; E950-T954 PolarHBondContact O-N 2.9Å; E950-T954 PolarHBondContact O-OG1 2.96Å |
| 951 | E | 85 | Confident | 81.9 | Confident | 94 Ų | 94 | 73.1 Ų | 73.1 | 44% | 0.439 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 172.5 | -73.7 | 169.6 | 157.6 | 0 | 0 | 111.4 | K947 T954 E955 | K947-E951 HydrophobicContact CG-CG 4.33Å; K947-E951 IonicContact NZ-OE1 3.2Å; K947-E951 PolarHBondContact NZ-OE1 2.73Å; K947-E951 WeakPolarHBondContact O-CB 3.25Å; K947-E951 VanDerWaalsContact O-CG 3.28Å; K947-E951 WeakPolarHBondContact O-CG 3.36Å; K947-E951 PolarHBondContact O-N 3.46Å; E951-T954 PolarHBondContact O-N 3.1Å; E951-E955 WeakPolarHBondContact O-CB 3.18Å; E951-E955 PolarHBondContact O-N 2.89Å |
| 952 | L | 85.1 | Confident | 82.8 | Confident | 11 Ų | 11 | 71.8 Ų | 71.8 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70 | -36.2 | 178.9 | -175.5 | 56.8 | 0 | 0 | 0 | 113 | P948 F949 T954 E955 L956 I1009 L1012 K1016 | P948-L952 VanDerWaalsContact O-CB 3.25Å; P948-L952 WeakPolarHBondContact O-CB 3.29Å; P948-L952 PolarHBondContact O-N 3.05Å; P948-L952 VanDerWaalsContact O-N 3.15Å; F949-L952 PolarHBondContact O-N 2.99Å; L952-T954 VanDerWaalsContact C-N 3.35Å; L952-E955 PolarHBondContact O-N 3.29Å; L952-L956 HydrophobicContact CD1-CD1 3.9Å; L952-L956 HydrophobicContact CD1-CG 4.28Å; L952-L956 HydrophobicContact CG-CD1 4.17Å; L952-L956 VanDerWaalsContact O-CG 3.28Å; L952-L956 WeakPolarHBondContact O-CG 3.49Å; L952-L956 PolarHBondContact O-N 3.31Å; L952-I1009 HydrophobicContact CD2-CG2 4.3Å; L952-L1012 HydrophobicContact CD2-CB 3.53Å; L952-L1012 HydrophobicContact CG-CB 3.83Å; L952-L1012 HydrophobicContact CG-CD1 4.45Å; L952-K1016 HydrophobicContact CD1-CB 4.18Å; L952-K1016 HydrophobicContact CD1-CD 3.59Å; L952-K1016 HydrophobicContact CD1-CG 4.46Å |
| 953 | C | 87.3 | Confident | 83.6 | Confident | 24 Ų | 24 | 68.7 Ų | 68.7 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 169.3 | -70.5 | 0 | 0 | 0 | 0 | 111.4 | F949 E950 L956 A957 L1012 L1034 | F949-C953 WeakPolarHBondContact CZ-SG 3.13Å; F949-C953 PolarHBondContact O-N 3.49Å; F949-C953 PolarHBondContact O-SG 2.89Å; E950-C953 PolarHBondContact O-N 3.1Å; C953-L956 PolarHBondContact O-N 3.26Å; C953-A957 PolarHBondContact O-N 3.34Å; C953-A957 VanDerWaalsContact O-N 3.14Å; C953-L1012 VanDerWaalsContact SG-CD1 3.56Å; C953-L1034 HydrophobicContact CB-CD1 4.27Å; C953-L1034 HydrophobicContact CB-CD2 4.45Å; C953-L1034 VanDerWaalsContact O-CD1 3.3Å; C953-L1034 WeakPolarHBondContact O-CD1 3.49Å |
| 954 | T | 87.6 | Confident | 84.3 | Confident | 107 Ų | 107 | 72 Ų | 72 | 66% | 0.656 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.3 | -39.9 | 178.7 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | E950 E951 L952 L956 A957 | E950-T954 WeakPolarHBondContact O-CB 3.4Å; E950-T954 PolarHBondContact O-N 2.9Å; E950-T954 PolarHBondContact O-OG1 2.96Å; E951-T954 PolarHBondContact O-N 3.1Å; L952-T954 VanDerWaalsContact C-N 3.35Å; T954-L956 VanDerWaalsContact C-N 3.26Å; T954-L956 PolarHBondContact O-N 2.71Å; T954-A957 PolarHBondContact O-N 2.76Å |
| 955 | E | 89 | Confident | 85.3 | Confident | 84 Ų | 84 | 64.5 Ų | 64.5 | 39% | 0.393 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -27.7 | 177.6 | -174.7 | 179.8 | -175.2 | 0 | 0 | 113.3 | E951 L952 K1016 R1019 | E951-E955 WeakPolarHBondContact O-CB 3.18Å; E951-E955 PolarHBondContact O-N 2.89Å; L952-E955 PolarHBondContact O-N 3.29Å; E955-K1016 WeakPolarHBondContact OE1-CE 3.49Å; E955-K1016 IonicContact OE1-NZ 3.25Å; E955-K1016 PolarHBondContact OE1-NZ 2.71Å; E955-K1016 WeakPolarHBondContact OE2-CE 3.24Å; E955-K1016 IonicContact OE2-NZ 2.66Å; E955-K1016 PolarHBondContact OE2-NZ 3.48Å; E955-R1019 PolarHBondContact O-NH1 2.73Å |
| 956 | L | 90.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 7.1 | -176.9 | -59.1 | 172.9 | 0 | 0 | 0 | 113.8 | L952 C953 T954 D958 L959 L1012 A1015 K1016 I1032 | L952-L956 HydrophobicContact CD1-CD1 3.9Å; L952-L956 HydrophobicContact CD1-CG 4.28Å; L952-L956 HydrophobicContact CG-CD1 4.17Å; L952-L956 VanDerWaalsContact O-CG 3.28Å; L952-L956 WeakPolarHBondContact O-CG 3.49Å; L952-L956 PolarHBondContact O-N 3.31Å; C953-L956 PolarHBondContact O-N 3.26Å; T954-L956 VanDerWaalsContact C-N 3.26Å; T954-L956 PolarHBondContact O-N 2.71Å; L956-D958 PolarHBondContact O-N 3.4Å; L956-D958 VanDerWaalsContact O-N 3.14Å; L956-L959 HydrophobicContact CD2-CD1 4.2Å; L956-L959 WeakPolarHBondContact O-CB 3.36Å; L956-L959 PolarHBondContact O-N 2.88Å; L956-L1012 HydrophobicContact CD1-CB 4.17Å; L956-L1012 HydrophobicContact CD1-CD2 4.43Å; L956-A1015 HydrophobicContact CD1-CB 4.35Å; L956-K1016 HydrophobicContact CD1-CB 4.29Å; L956-K1016 HydrophobicContact CD2-CB 3.95Å; L956-K1016 HydrophobicContact CD2-CG 4.41Å; L956-I1032 HydrophobicContact CB-CD1 3.59Å; L956-I1032 HydrophobicContact CD1-CD1 4.25Å |
| 957 | A | 89 | Confident | 87 | Confident | 59 Ų | 59 | 60.5 Ų | 60.5 | 49% | 0.488 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -63.4 | -18.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | C953 T954 L959 D960 | C953-A957 PolarHBondContact O-N 3.34Å; C953-A957 VanDerWaalsContact O-N 3.14Å; T954-A957 PolarHBondContact O-N 2.76Å; A957-L959 PolarHBondContact O-N 2.96Å; A957-D960 PolarHBondContact O-N 3.46Å |
| 958 | D | 89.8 | Confident | 87.6 | Confident | 105 Ų | 105 | 57.9 Ų | 57.9 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -72.4 | -13.7 | 172.4 | 67 | -54 | 0 | 0 | 0 | 113.9 | L956 R1019 | L956-D958 PolarHBondContact O-N 3.4Å; L956-D958 VanDerWaalsContact O-N 3.14Å; D958-R1019 IonicContact OD1-CZ 3.2Å; D958-R1019 IonicContact OD1-NE 2.59Å; D958-R1019 IonicContact OD1-NH1 3.92Å; D958-R1019 IonicContact OD1-NH2 2.73Å; D958-R1019 PolarHBondContact OD1-NH2 3.21Å; D958-R1019 IonicContact OD2-CZ 3.39Å; D958-R1019 VanDerWaalsContact OD2-CZ 3.3Å; D958-R1019 IonicContact OD2-NE 2.73Å; D958-R1019 PolarHBondContact OD2-NE 3.05Å; D958-R1019 IonicContact OD2-NH2 2.67Å; D958-R1019 PolarHBondContact OD2-NH2 2.66Å |
| 959 | L | 91 | Very high | 87.9 | Confident | 34 Ų | 34 | 59 Ų | 59 | 18% | 0.178 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -101.3 | -2.1 | 176 | -61.9 | 175.4 | 0 | 0 | 0 | 113 | L956 A957 M961 R1019 L1029 G1031 I1032 | L956-L959 HydrophobicContact CD2-CD1 4.2Å; L956-L959 WeakPolarHBondContact O-CB 3.36Å; L956-L959 PolarHBondContact O-N 2.88Å; A957-L959 PolarHBondContact O-N 2.96Å; L959-M961 PolarHBondContact O-N 3Å; L959-R1019 HydrophobicContact CD1-CB 4.01Å; L959-R1019 HydrophobicContact CD1-CG 3.86Å; L959-L1029 HydrophobicContact CD1-CD2 3.8Å; L959-G1031 WeakPolarHBondContact O-CA 3.45Å; L959-I1032 HydrophobicContact CB-CD1 4.17Å; L959-I1032 HydrophobicContact CB-CG1 3.89Å; L959-I1032 PolarHBondContact O-N 3.12Å |
| 960 | D | 91.7 | Very high | 87.9 | Confident | 70 Ų | 70 | 64.8 Ų | 64.8 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | B | Isolated β-bridge | trans | -70.8 | 127 | -173 | -167.9 | 35.6 | 0 | 0 | 0 | 111.9 | A957 S1033 L1034 | A957-D960 PolarHBondContact O-N 3.46Å; D960-S1033 VanDerWaalsContact OD1-CA 3.31Å; D960-S1033 WeakPolarHBondContact OD1-CA 3.37Å; D960-L1034 HydrophobicContact CB-CD1 4.3Å; D960-L1034 HydrophobicContact CB-CG 4.48Å; D960-L1034 PolarHBondContact OD1-N 3.45Å |
| 961 | M | 89.7 | Confident | 88 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 9% | 0.094 | 35% | 0.345 | C | S | . | . | trans | -110.4 | 123.3 | 177.1 | -64.3 | -170.4 | 70.1 | 0 | 0 | 108.9 | L959 A963 I966 A985 K986 I1030 I1032 S1033 | L959-M961 PolarHBondContact O-N 3Å; M961-A963 PolarHBondContact O-N 3.47Å; M961-I966 HydrophobicContact CB-CD1 4.09Å; M961-I966 HydrophobicContact CB-CG1 4.42Å; M961-A985 HydrophobicContact CE-CB 3.97Å; M961-K986 VanDerWaalsContact CE-O 3.28Å; M961-K986 WeakPolarHBondContact CE-O 3.44Å; M961-I1030 HydrophobicContact SD-CG2 4.07Å; M961-I1032 WeakPolarHBondContact CB-O 3.45Å; M961-I1032 PolarHBondContact N-O 3.45Å; M961-S1033 PolarHBondContact O-OG 2.91Å | ||
| 962 | P | 87.4 | Confident | 87.6 | Confident | 62 Ų | 62 | 64.1 Ų | 64.1 | 40% | 0.403 | 34% | 0.344 | S | S | . | . | trans | -52.3 | 135.3 | 174.1 | -28.1 | 35 | 0 | 0 | 0 | 111.4 | E964 N965 | P962-E964 HydrophobicContact CB-CG 3.76Å; P962-E964 PolarHBondContact O-N 2.95Å; P962-E964 VanDerWaalsContact O-N 3.09Å; P962-N965 WeakPolarHBondContact O-CA 3.47Å; P962-N965 WeakPolarHBondContact O-CB 3.43Å; P962-N965 PolarHBondContact O-N 3.07Å | ||
| 963 | A | 83 | Confident | 86.8 | Confident | 45 Ų | 45 | 64.8 Ų | 64.8 | 37% | 0.372 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -61 | -23.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | M961 N965 I966 | M961-A963 PolarHBondContact O-N 3.47Å; A963-N965 VanDerWaalsContact C-N 3.26Å; A963-N965 PolarHBondContact O-N 2.92Å; A963-I966 PolarHBondContact O-N 3.46Å |
| 964 | E | 86 | Confident | 85.8 | Confident | 160 Ų | 160 | 66.9 Ų | 66.9 | 75% | 0.748 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -67.6 | -20.7 | 171.6 | 58.8 | -173.6 | -169.5 | 0 | 0 | 114.2 | P962 I966 | P962-E964 HydrophobicContact CB-CG 3.76Å; P962-E964 PolarHBondContact O-N 2.95Å; P962-E964 VanDerWaalsContact O-N 3.09Å; E964-I966 VanDerWaalsContact C-N 3.34Å |
| 965 | N | 90.8 | Very high | 84.6 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 22% | 0.219 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -92.5 | 11.8 | 175 | -70.5 | -41.1 | 0 | 0 | 0 | 112.6 | P962 A963 A985 K986 | P962-N965 WeakPolarHBondContact O-CA 3.47Å; P962-N965 WeakPolarHBondContact O-CB 3.43Å; P962-N965 PolarHBondContact O-N 3.07Å; A963-N965 VanDerWaalsContact C-N 3.26Å; A963-N965 PolarHBondContact O-N 2.92Å; N965-A985 CarbonylContact O-C 3.6Å; N965-A985 VanDerWaalsContact O-CA 3.32Å; N965-A985 WeakPolarHBondContact O-CA 3.42Å; N965-K986 HydrophobicContact CB-CB 3.95Å; N965-K986 PolarHBondContact O-N 3.24Å |
| 966 | I | 90.1 | Very high | 82.9 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 115.9 | -177.1 | -54.4 | 169.2 | 0 | 0 | 0 | 109.7 | M961 A963 E964 L968 V996 Y1041 I1043 | M961-I966 HydrophobicContact CB-CD1 4.09Å; M961-I966 HydrophobicContact CB-CG1 4.42Å; A963-I966 PolarHBondContact O-N 3.46Å; E964-I966 VanDerWaalsContact C-N 3.34Å; I966-L968 HydrophobicContact CG2-CD2 4.32Å; I966-V996 HydrophobicContact CG2-CG2 4.32Å; I966-Y1041 HydrophobicContact CD1-CD2 4.06Å; I966-I1043 HydrophobicContact CD1-CD1 3.87Å; I966-I1043 HydrophobicContact CD1-CG1 4.19Å |
| 967 | V | 90.6 | Very high | 81.3 | Confident | 60 Ų | 60 | 66.1 Ų | 66.1 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.2 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | G983 E984 W991 | V967-G983 CarbonylContact O-C 3.59Å; V967-G983 WeakPolarHBondContact O-CA 3.37Å; V967-E984 HydrophobicContact CB-CB 4.49Å; V967-E984 PolarHBondContact N-O 3.47Å; V967-E984 PolarHBondContact O-N 3.05Å; V967-W991 HydrophobicContact CG2-CH2 3.87Å; V967-W991 HydrophobicContact CG2-CZ3 3.85Å |
| 968 | L | 89.3 | Confident | 80.2 | Confident | 63 Ų | 63 | 63.7 Ų | 63.7 | 33% | 0.33 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 118 | 174.5 | -59.9 | -179.9 | 0 | 0 | 0 | 109.9 | I966 F981 V996 Y1041 | I966-L968 HydrophobicContact CG2-CD2 4.32Å; L968-F981 HydrophobicContact CD2-CB 4.23Å; L968-V996 HydrophobicContact CD2-CB 3.75Å; L968-V996 HydrophobicContact CD2-CG1 3.87Å; L968-V996 HydrophobicContact CD2-CG2 3.83Å; L968-Y1041 HydrophobicContact CD1-CE1 4.47Å |
| 969 | N | 86.4 | Confident | 79.9 | Confident | 80 Ų | 80 | 61.4 Ų | 61.4 | 43% | 0.428 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -136.9 | 175.8 | -67.2 | -32.3 | 0 | 0 | 0 | 109.7 | G982 E984 | N969-G982 CarbonylContact C-O 3.59Å; N969-G982 VanDerWaalsContact CA-O 3.29Å; N969-G982 WeakPolarHBondContact CA-O 3.43Å; N969-G982 VanDerWaalsContact CB-O 3.31Å; N969-G982 WeakPolarHBondContact CB-O 3.42Å; N969-G982 PolarHBondContact N-O 3.32Å; N969-E984 PolarHBondContact ND2-OE1 3.48Å |
| 970 | R | 83.5 | Confident | 79.7 | Confident | 149 Ų | 149 | 61 Ų | 61 | 56% | 0.562 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 142.9 | -176.8 | 63.7 | -177.4 | 178.2 | 174.6 | -0.3 | 113 | V972 F981 G982 | R970-V972 HydrophobicContact CG-CG1 4.15Å; R970-V972 PolarHBondContact O-N 2.98Å; R970-F981 CarbonylContact O-C 3.51Å; R970-F981 WeakPolarHBondContact O-CA 3.19Å; R970-G982 PolarHBondContact O-N 3.13Å |
| 971 | R | 84.3 | Confident | 79.6 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 33% | 0.328 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 130.3 | 162.7 | -179.9 | 178.8 | 166.3 | -164.3 | -17.8 | 108.5 | G973 F981 D1262 | R971-G973 WeakPolarHBondContact CG-O 3.15Å; R971-G973 PolarHBondContact NE-O 2.91Å; R971-F981 HydrophobicContact CB-CD1 4.15Å; R971-F981 HydrophobicContact CB-CE1 4.08Å; R971-D1262 IonicContact CZ-OD2 2.71Å; R971-D1262 IonicContact NH1-OD2 3.18Å; R971-D1262 IonicContact NH2-OD2 2.73Å; R971-D1262 PolarHBondContact NH2-OD2 3.5Å |
| 972 | V | 76.6 | Confident | 79.7 | Confident | 71 Ų | 71 | 59.1 Ų | 59.1 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -16.9 | 176.8 | -64.4 | 0 | 0 | 0 | 0 | 112.9 | R970 V980 | R970-V972 HydrophobicContact CG-CG1 4.15Å; R970-V972 PolarHBondContact O-N 2.98Å; V972-V980 HydrophobicContact CG2-CB 4.16Å; V972-V980 HydrophobicContact CG2-CG1 3.76Å; V972-V980 PolarHBondContact N-O 3.08Å |
| 973 | G | 69 | Low | 79.8 | Confident | 25 Ų | 25 | 56.4 Ų | 56.4 | 26% | 0.258 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | -172 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R971 V980 | R971-G973 WeakPolarHBondContact CG-O 3.15Å; R971-G973 PolarHBondContact NE-O 2.91Å; G973-V980 PolarHBondContact N-O 2.85Å; G973-V980 VanDerWaalsContact N-O 3.08Å; G973-V980 PolarHBondContact O-N 3.38Å |
| 974 | Q | 67 | Low | 80.3 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 31% | 0.313 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 123.7 | 169.9 | 177.6 | -176.4 | -66 | 0 | 0 | 108 | G978 L979 N1580 | Q974-G978 WeakPolarHBondContact CA-O 3.16Å; Q974-L979 HydrophobicContact CB-CD2 4.18Å; Q974-L979 HydrophobicContact CG-CD2 4.06Å; Q974-N1580 VanDerWaalsContact CD-ND2 3.32Å; Q974-N1580 PolarHBondContact NE2-ND2 3.41Å; Q974-N1580 VanDerWaalsContact NE2-ND2 3.18Å; Q974-N1580 PolarHBondContact OE1-ND2 2.92Å |
| 975 | G | 61.1 | Low | 80.7 | Confident | 23 Ų | 23 | 50.7 Ų | 50.7 | 24% | 0.237 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -178.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | F977 G978 | G975-F977 PolarHBondContact O-N 3.48Å; G975-F977 VanDerWaalsContact O-N 3.14Å; G975-G978 PolarHBondContact N-O 2.67Å; G975-G978 PolarHBondContact O-N 3.3Å |
| 976 | A | 54.2 | Low | 80.7 | Confident | 95 Ų | 95 | 51.7 Ų | 51.7 | 79% | 0.785 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -30.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 977 | F | 56.3 | Low | 80.4 | Confident | 57 Ų | 57 | 55 Ų | 55 | 25% | 0.25 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -8 | -176.4 | -58 | -82.8 | 0 | 0 | 0 | 114.4 | G975 D1010 F1011 | G975-F977 PolarHBondContact O-N 3.48Å; G975-F977 VanDerWaalsContact O-N 3.14Å; F977-D1010 HydrophobicContact CE1-CB 4.46Å; F977-F1011 HydrophobicContact CB-CD2 4.33Å |
| 978 | G | 66.8 | Low | 80 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 9% | 0.093 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.6 | -164.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q974 G975 V998 | Q974-G978 WeakPolarHBondContact CA-O 3.16Å; G975-G978 PolarHBondContact N-O 2.67Å; G975-G978 PolarHBondContact O-N 3.3Å; G978-V998 WeakPolarHBondContact CA-O 3.49Å |
| 979 | L | 82.5 | Confident | 79.6 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 30% | 0.298 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 152.5 | -175.9 | -65.4 | 171.9 | 0 | 0 | 0 | 111.3 | Q974 F981 K997 V998 | Q974-L979 HydrophobicContact CB-CD2 4.18Å; Q974-L979 HydrophobicContact CG-CD2 4.06Å; L979-F981 HydrophobicContact CB-CD2 4.31Å; L979-F981 HydrophobicContact CB-CE2 3.65Å; L979-F981 HydrophobicContact CB-CZ 4.31Å; L979-F981 HydrophobicContact CD1-CE2 4.07Å; L979-F981 HydrophobicContact CD1-CZ 4.04Å; L979-K997 WeakPolarHBondContact O-CA 3.43Å; L979-V998 PolarHBondContact N-O 3.23Å; L979-V998 PolarHBondContact O-N 3.38Å |
| 980 | V | 87.5 | Confident | 79.7 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 15% | 0.152 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 125.5 | 171 | -167.1 | 0 | 0 | 0 | 0 | 109.6 | V972 G973 A995 V996 K997 | V972-V980 HydrophobicContact CG2-CB 4.16Å; V972-V980 HydrophobicContact CG2-CG1 3.76Å; V972-V980 PolarHBondContact N-O 3.08Å; G973-V980 PolarHBondContact N-O 2.85Å; G973-V980 VanDerWaalsContact N-O 3.08Å; G973-V980 PolarHBondContact O-N 3.38Å; V980-A995 HydrophobicContact CG1-CB 4.34Å; V980-V996 WeakPolarHBondContact CA-O 3.24Å; V980-K997 HydrophobicContact CG2-CG 4.28Å |
| 981 | F | 90 | Very high | 80.1 | Confident | 45 Ų | 45 | 62 Ų | 62 | 20% | 0.197 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 142.2 | 176.2 | -65 | -95.4 | 0 | 0 | 0 | 110.3 | L968 R970 R971 L979 A995 V996 V998 | L968-F981 HydrophobicContact CD2-CB 4.23Å; R970-F981 CarbonylContact O-C 3.51Å; R970-F981 WeakPolarHBondContact O-CA 3.19Å; R971-F981 HydrophobicContact CB-CD1 4.15Å; R971-F981 HydrophobicContact CB-CE1 4.08Å; L979-F981 HydrophobicContact CB-CD2 4.31Å; L979-F981 HydrophobicContact CB-CE2 3.65Å; L979-F981 HydrophobicContact CB-CZ 4.31Å; L979-F981 HydrophobicContact CD1-CE2 4.07Å; L979-F981 HydrophobicContact CD1-CZ 4.04Å; F981-A995 CarbonylContact O-C 3.57Å; F981-A995 WeakPolarHBondContact O-CA 3.49Å; F981-V996 PolarHBondContact N-O 3Å; F981-V996 PolarHBondContact O-N 3.06Å; F981-V998 HydrophobicContact CD2-CG2 3.8Å; F981-V998 HydrophobicContact CE2-CB 4.49Å; F981-V998 HydrophobicContact CE2-CG2 4.08Å |
| 982 | G | 90.5 | Very high | 80.4 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 5% | 0.052 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 149.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | N969 R970 V994 | N969-G982 CarbonylContact C-O 3.59Å; N969-G982 VanDerWaalsContact CA-O 3.29Å; N969-G982 WeakPolarHBondContact CA-O 3.43Å; N969-G982 VanDerWaalsContact CB-O 3.31Å; N969-G982 WeakPolarHBondContact CB-O 3.42Å; N969-G982 PolarHBondContact N-O 3.32Å; R970-G982 PolarHBondContact O-N 3.13Å; G982-V994 CarbonylContact C-O 3.46Å; G982-V994 WeakPolarHBondContact CA-O 3.36Å |
| 983 | G | 91 | Very high | 81.2 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | -170.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V967 V994 | V967-G983 CarbonylContact O-C 3.59Å; V967-G983 WeakPolarHBondContact O-CA 3.37Å; G983-V994 PolarHBondContact N-O 3.5Å; G983-V994 PolarHBondContact O-N 2.73Å |
| 984 | E | 93.5 | Very high | 82.4 | Confident | 86 Ų | 86 | 58.4 Ų | 58.4 | 40% | 0.402 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.9 | 174.1 | -69.5 | 166.4 | -145.1 | 0 | 0 | 108.7 | V967 N969 W991 E992 | V967-E984 HydrophobicContact CB-CB 4.49Å; V967-E984 PolarHBondContact N-O 3.47Å; V967-E984 PolarHBondContact O-N 3.05Å; N969-E984 PolarHBondContact ND2-OE1 3.48Å; E984-W991 HydrophobicContact CB-CE3 3.83Å; E984-W991 HydrophobicContact CB-CZ3 4.37Å; E984-E992 WeakPolarHBondContact CA-O 3.41Å |
| 985 | A | 93.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | M961 N965 W991 E992 V994 I1043 | M961-A985 HydrophobicContact CE-CB 3.97Å; N965-A985 CarbonylContact O-C 3.6Å; N965-A985 VanDerWaalsContact O-CA 3.32Å; N965-A985 WeakPolarHBondContact O-CA 3.42Å; A985-W991 WeakPolarHBondContact O-CA 3.46Å; A985-E992 PolarHBondContact N-O 2.64Å; A985-E992 PolarHBondContact O-N 3.05Å; A985-V994 HydrophobicContact CB-CB 4.43Å; A985-V994 HydrophobicContact CB-CG1 3.6Å; A985-V994 HydrophobicContact CB-CG2 3.99Å; A985-I1043 HydrophobicContact CB-CG2 4.11Å |
| 986 | K | 91.5 | Very high | 85.1 | Confident | 61 Ų | 61 | 54.7 Ų | 54.7 | 27% | 0.265 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 118.5 | -179.7 | -166.6 | -177.6 | 169.4 | -166.1 | 0 | 110.5 | M961 N965 D989 L990 W991 | M961-K986 VanDerWaalsContact CE-O 3.28Å; M961-K986 WeakPolarHBondContact CE-O 3.44Å; N965-K986 HydrophobicContact CB-CB 3.95Å; N965-K986 PolarHBondContact O-N 3.24Å; K986-D989 WeakPolarHBondContact CE-OD1 3.43Å; K986-D989 IonicContact NZ-OD1 2.84Å; K986-D989 PolarHBondContact NZ-OD1 2.58Å; K986-L990 CarbonylContact C-O 3.6Å; K986-L990 WeakPolarHBondContact CA-O 3.48Å; K986-W991 HydrophobicContact CB-CD2 3.84Å; K986-W991 HydrophobicContact CB-CE3 3.77Å; K986-W991 HydrophobicContact CB-CH2 3.92Å; K986-W991 HydrophobicContact CB-CZ2 3.98Å; K986-W991 HydrophobicContact CB-CZ3 3.82Å; K986-W991 HydrophobicContact CD-CZ2 4.05Å; K986-W991 HydrophobicContact CG-CD2 4.22Å; K986-W991 HydrophobicContact CG-CZ2 4.34Å |
| 987 | K | 83 | Confident | 86.9 | Confident | 86 Ų | 86 | 50.4 Ų | 50.4 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 123.8 | -178.2 | -167.5 | 168.8 | -168.7 | 162.4 | 0 | 110.2 | D989 L990 E992 I1030 | K987-D989 VanDerWaalsContact C-N 3.28Å; K987-D989 PolarHBondContact O-N 3.01Å; K987-L990 PolarHBondContact N-O 3.36Å; K987-L990 PolarHBondContact O-N 3.07Å; K987-L990 VanDerWaalsContact O-N 3.09Å; K987-L990 VanDerWaalsContact O-O 3.1Å; K987-E992 WeakPolarHBondContact CD-OE1 3.17Å; K987-I1030 HydrophobicContact CD-CG2 4.43Å; K987-I1030 PolarHBondContact NZ-O 3.24Å |
| 988 | S | 83.6 | Confident | 88.4 | Confident | 112 Ų | 112 | 48.5 Ų | 48.5 | 78% | 0.783 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 47.1 | -175.5 | -55 | 0 | 0 | 0 | 0 | 113 | L990 | S988-L990 PolarHBondContact O-N 3.32Š|
| 989 | D | 81 | Confident | 89.1 | Confident | 131 Ų | 131 | 48.6 Ų | 48.6 | 70% | 0.701 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | -1.5 | -174.4 | -75.6 | -63.9 | 0 | 0 | 0 | 118.2 | K986 K987 | K986-D989 WeakPolarHBondContact CE-OD1 3.43Å; K986-D989 IonicContact NZ-OD1 2.84Å; K986-D989 PolarHBondContact NZ-OD1 2.58Å; K987-D989 VanDerWaalsContact C-N 3.28Å; K987-D989 PolarHBondContact O-N 3.01Å |
| 990 | L | 87.9 | Confident | 88.5 | Confident | 133 Ų | 133 | 49.2 Ų | 49.2 | 70% | 0.696 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 145.4 | 170.4 | -71.7 | 143.1 | 0 | 0 | 0 | 110.8 | K986 K987 S988 | K986-L990 CarbonylContact C-O 3.6Å; K986-L990 WeakPolarHBondContact CA-O 3.48Å; K987-L990 PolarHBondContact N-O 3.36Å; K987-L990 PolarHBondContact O-N 3.07Å; K987-L990 VanDerWaalsContact O-N 3.09Å; K987-L990 VanDerWaalsContact O-O 3.1Å; S988-L990 PolarHBondContact O-N 3.32Å |
| 991 | W | 90.8 | Very high | 87.7 | Confident | 122 Ų | 122 | 55.5 Ų | 55.5 | 46% | 0.462 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.6 | 168.9 | -70 | 95.7 | 0 | 0 | 0 | 109.4 | V967 E984 A985 K986 | V967-W991 HydrophobicContact CG2-CH2 3.87Å; V967-W991 HydrophobicContact CG2-CZ3 3.85Å; E984-W991 HydrophobicContact CB-CE3 3.83Å; E984-W991 HydrophobicContact CB-CZ3 4.37Å; A985-W991 WeakPolarHBondContact O-CA 3.46Å; K986-W991 HydrophobicContact CB-CD2 3.84Å; K986-W991 HydrophobicContact CB-CE3 3.77Å; K986-W991 HydrophobicContact CB-CH2 3.92Å; K986-W991 HydrophobicContact CB-CZ2 3.98Å; K986-W991 HydrophobicContact CB-CZ3 3.82Å; K986-W991 HydrophobicContact CD-CZ2 4.05Å; K986-W991 HydrophobicContact CG-CD2 4.22Å; K986-W991 HydrophobicContact CG-CZ2 4.34Å |
| 992 | E | 92.2 | Very high | 86.7 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 23% | 0.229 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 144.9 | 169.1 | 66.1 | 178.3 | 143.9 | 0 | 0 | 110.7 | E984 A985 K987 V994 R1028 I1030 | E984-E992 WeakPolarHBondContact CA-O 3.41Å; A985-E992 PolarHBondContact N-O 2.64Å; A985-E992 PolarHBondContact O-N 3.05Å; K987-E992 WeakPolarHBondContact CD-OE1 3.17Å; E992-V994 HydrophobicContact CG-CG1 4.05Å; E992-R1028 IonicContact OE2-CZ 2.68Å; E992-R1028 IonicContact OE2-NH1 3.3Å; E992-R1028 IonicContact OE2-NH2 2.76Å; E992-R1028 PolarHBondContact OE2-NH2 2.74Å; E992-I1030 HydrophobicContact CG-CD1 4.13Å; E992-I1030 WeakPolarHBondContact OE1-CG2 3.3Å; E992-I1030 WeakPolarHBondContact OE2-CD1 3.38Å |
| 993 | A | 92.5 | Very high | 85.7 | Confident | 60 Ų | 60 | 63.1 Ų | 63.1 | 50% | 0.496 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 128.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L1046 | A993-L1046 HydrophobicContact CB-CD2 4.04Å; A993-L1046 WeakPolarHBondContact O-CB 3.43Å |
| 994 | V | 94.6 | Very high | 85 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 159.6 | -166.1 | -58.5 | 0 | 0 | 0 | 0 | 113.7 | G982 G983 A985 E992 V996 I1030 I1043 M1044 | G982-V994 CarbonylContact C-O 3.46Å; G982-V994 WeakPolarHBondContact CA-O 3.36Å; G983-V994 PolarHBondContact N-O 3.5Å; G983-V994 PolarHBondContact O-N 2.73Å; A985-V994 HydrophobicContact CB-CB 4.43Å; A985-V994 HydrophobicContact CB-CG1 3.6Å; A985-V994 HydrophobicContact CB-CG2 3.99Å; E992-V994 HydrophobicContact CG-CG1 4.05Å; V994-V996 HydrophobicContact CG2-CG2 3.76Å; V994-I1030 HydrophobicContact CB-CD1 4.3Å; V994-I1030 HydrophobicContact CG1-CD1 3.43Å; V994-I1030 VanDerWaalsContact CG1-CD1 3.43Å; V994-I1030 HydrophobicContact CG1-CG2 4.45Å; V994-I1043 HydrophobicContact CB-CG2 3.65Å; V994-I1043 HydrophobicContact CG1-CG2 3.71Å; V994-I1043 HydrophobicContact CG2-CG2 3.85Å; V994-M1044 CarbonylContact C-O 3.51Å; V994-M1044 WeakPolarHBondContact CA-O 3.34Å; V994-M1044 WeakPolarHBondContact CB-O 3.34Å |
| 995 | A | 93.3 | Very high | 84.3 | Confident | 11 Ų | 11 | 67.1 Ų | 67.1 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | V980 F981 M1044 L1046 | V980-A995 HydrophobicContact CG1-CB 4.34Å; F981-A995 CarbonylContact O-C 3.57Å; F981-A995 WeakPolarHBondContact O-CA 3.49Å; A995-M1044 HydrophobicContact CB-CE 4.35Å; A995-M1044 PolarHBondContact N-O 3.25Å; A995-M1044 PolarHBondContact O-N 2.85Å; A995-L1046 HydrophobicContact CB-CD1 4.25Å |
| 996 | V | 91.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 111.3 | -178.8 | -170 | 0 | 0 | 0 | 0 | 109.9 | I966 L968 V980 F981 V994 V998 Y1041 L1042 I1043 | I966-V996 HydrophobicContact CG2-CG2 4.32Å; L968-V996 HydrophobicContact CD2-CB 3.75Å; L968-V996 HydrophobicContact CD2-CG1 3.87Å; L968-V996 HydrophobicContact CD2-CG2 3.83Å; V980-V996 WeakPolarHBondContact CA-O 3.24Å; F981-V996 PolarHBondContact N-O 3Å; F981-V996 PolarHBondContact O-N 3.06Å; V994-V996 HydrophobicContact CG2-CG2 3.76Å; V996-V998 HydrophobicContact CG1-CG2 4.05Å; V996-Y1041 HydrophobicContact CG1-CD1 4.31Å; V996-Y1041 HydrophobicContact CG1-CG 4.01Å; V996-L1042 CarbonylContact C-O 3.57Å; V996-L1042 WeakPolarHBondContact CA-O 3.39Å; V996-I1043 HydrophobicContact CG1-CG1 4.29Å; V996-I1043 HydrophobicContact CG2-CG1 4.23Å; V996-I1043 HydrophobicContact CG2-CG2 4.45Å |
| 997 | K | 90.1 | Very high | 82.7 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 130 | 169.1 | -149.2 | 178.6 | -164 | -179.9 | 0 | 107.6 | L979 V980 F1011 E1014 L1042 M1044 D1118 | L979-K997 WeakPolarHBondContact O-CA 3.43Å; V980-K997 HydrophobicContact CG2-CG 4.28Å; K997-F1011 HydrophobicContact CB-CE2 4.43Å; K997-F1011 HydrophobicContact CD-CE2 4.49Å; K997-F1011 HydrophobicContact CG-CE2 4.3Å; K997-E1014 IonicContact NZ-OE1 3.78Å; K997-E1014 PolarHBondContact NZ-OE1 3.1Å; K997-E1014 IonicContact NZ-OE2 3.63Å; K997-E1014 PolarHBondContact NZ-OE2 2.98Å; K997-L1042 HydrophobicContact CB-CB 3.72Å; K997-L1042 HydrophobicContact CD-CD1 4.38Å; K997-L1042 PolarHBondContact N-O 3.06Å; K997-L1042 PolarHBondContact O-N 3.37Å; K997-M1044 HydrophobicContact CB-CE 3.99Å; K997-D1118 IonicContact NZ-OD1 3.7Å; K997-D1118 PolarHBondContact NZ-OD1 3.09Å; K997-D1118 IonicContact NZ-OD2 2.76Å |
| 998 | V | 88.5 | Confident | 82.7 | Confident | 16 Ų | 16 | 68.7 Ų | 68.7 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 121.5 | -173.9 | -178.4 | 0 | 0 | 0 | 0 | 110 | G978 L979 F981 V996 Y1041 | G978-V998 WeakPolarHBondContact CA-O 3.49Å; L979-V998 PolarHBondContact N-O 3.23Å; L979-V998 PolarHBondContact O-N 3.38Å; F981-V998 HydrophobicContact CD2-CG2 3.8Å; F981-V998 HydrophobicContact CE2-CB 4.49Å; F981-V998 HydrophobicContact CE2-CG2 4.08Å; V996-V998 HydrophobicContact CG1-CG2 4.05Å; V998-Y1041 HydrophobicContact CB-CD1 4.28Å; V998-Y1041 HydrophobicContact CB-CE1 4.45Å; V998-Y1041 HydrophobicContact CG1-CD1 3.96Å; V998-Y1041 HydrophobicContact CG1-CE1 3.76Å; V998-Y1041 HydrophobicContact CG2-CD1 3.75Å; V998-Y1041 HydrophobicContact CG2-CE1 3.95Å |
| 999 | I | 81.8 | Confident | 82.7 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 6% | 0.056 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 149.4 | 176.5 | -157.3 | 177.1 | 0 | 0 | 0 | 111.4 | E1001 A1003 K1008 F1011 L1040 | I999-E1001 PolarHBondContact O-N 3.07Å; I999-A1003 HydrophobicContact CD1-CB 3.66Å; I999-A1003 HydrophobicContact CG1-CB 3.93Å; I999-K1008 HydrophobicContact CD1-CB 4.41Å; I999-K1008 HydrophobicContact CD1-CG 3.85Å; I999-F1011 HydrophobicContact CB-CD1 4.4Å; I999-F1011 HydrophobicContact CB-CD2 3.96Å; I999-F1011 HydrophobicContact CB-CE1 4.36Å; I999-F1011 HydrophobicContact CB-CE2 3.9Å; I999-F1011 HydrophobicContact CB-CG 4.2Å; I999-F1011 HydrophobicContact CB-CZ 4.1Å; I999-F1011 HydrophobicContact CD1-CB 3.81Å; I999-F1011 HydrophobicContact CD1-CD1 4.49Å; I999-F1011 HydrophobicContact CD1-CD2 4.34Å; I999-F1011 HydrophobicContact CD1-CG 4.01Å; I999-F1011 HydrophobicContact CG1-CD2 4.16Å; I999-F1011 HydrophobicContact CG1-CG 4.31Å; I999-L1040 HydrophobicContact CG2-CB 3.81Å; I999-L1040 HydrophobicContact CG2-CD1 4.45Å; I999-L1040 HydrophobicContact CG2-CG 4.29Å; I999-L1040 PolarHBondContact N-O 3.36Å |
| 1000 | N | 70.8 | Confident | 82.5 | Confident | 71 Ų | 71 | 60.8 Ų | 60.8 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | trans | -65.5 | 130.2 | 172 | -171.5 | -40.3 | 0 | 0 | 0 | 111.1 | K1002 A1003 | N1000-K1002 PolarHBondContact O-N 3.49Å; N1000-K1002 WeakPolarHBondContact OD1-CB 3.02Å; N1000-K1002 PolarHBondContact OD1-N 2.84Å; N1000-A1003 WeakPolarHBondContact O-CB 3.25Å; N1000-A1003 PolarHBondContact O-N 3.4Å | ||
| 1001 | E | 69.2 | Low | 82.4 | Confident | 156 Ų | 156 | 54.4 Ų | 54.4 | 73% | 0.729 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -29.9 | 178 | -66.9 | 180 | 164 | 0 | 0 | 113.8 | I999 A1003 S1039 | I999-E1001 PolarHBondContact O-N 3.07Å; E1001-A1003 VanDerWaalsContact C-N 3.3Å; E1001-A1003 PolarHBondContact O-N 2.8Å; E1001-S1039 VanDerWaalsContact CG-OG 3.29Å; E1001-S1039 WeakPolarHBondContact CG-OG 3.41Å |
| 1002 | K | 69.5 | Low | 82.2 | Confident | 185 Ų | 185 | 48.7 Ų | 48.7 | 80% | 0.804 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 6 | 179.7 | -59.9 | -179.6 | -178.6 | 175.9 | 0 | 114.1 | N1000 | N1000-K1002 PolarHBondContact O-N 3.49Å; N1000-K1002 WeakPolarHBondContact OD1-CB 3.02Å; N1000-K1002 PolarHBondContact OD1-N 2.84Å |
| 1003 | A | 69.2 | Low | 81.8 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | trans | -65.5 | 135.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | I999 N1000 E1001 K1008 | I999-A1003 HydrophobicContact CD1-CB 3.66Å; I999-A1003 HydrophobicContact CG1-CB 3.93Å; N1000-A1003 WeakPolarHBondContact O-CB 3.25Å; N1000-A1003 PolarHBondContact O-N 3.4Å; E1001-A1003 VanDerWaalsContact C-N 3.3Å; E1001-A1003 PolarHBondContact O-N 2.8Å; A1003-K1008 HydrophobicContact CB-CG 4.31Å; A1003-K1008 WeakPolarHBondContact O-CE 3.49Å | ||
| 1004 | N | 77.4 | Confident | 81.6 | Confident | 96 Ų | 96 | 45.9 Ų | 45.9 | 51% | 0.513 | 23% | 0.233 | S | C | . | . | trans | -71.3 | 170.5 | 172 | 68.7 | -16.4 | 0 | 0 | 0 | 111.3 | E1006 G1007 K1008 | N1004-E1006 PolarHBondContact O-N 3.44Å; N1004-G1007 PolarHBondContact O-N 2.89Å; N1004-G1007 PolarHBondContact OD1-N 3.48Å; N1004-K1008 PolarHBondContact O-N 3.04Å | ||
| 1005 | Y | 79.3 | Confident | 81.3 | Confident | 77 Ų | 77 | 45.9 Ų | 45.9 | 30% | 0.302 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.1 | -34.1 | 177.6 | -78.6 | -65.2 | 0 | 0 | 0 | 113 | R946 F949 K1008 I1009 | R946-Y1005 HydrophobicContact CB-CE1 4.42Å; R946-Y1005 HydrophobicContact CB-CE2 4.24Å; R946-Y1005 HydrophobicContact CG-CE1 3.94Å; R946-Y1005 HydrophobicContact CG-CE2 4.33Å; F949-Y1005 HydrophobicContact CB-CD1 3.8Å; F949-Y1005 HydrophobicContact CB-CE1 4.31Å; F949-Y1005 AromaticContact CD1-CD1 3.9Å; F949-Y1005 HydrophobicContact CD1-CD1 3.9Å; F949-Y1005 AromaticContact CD1-CE1 3.64Å; F949-Y1005 HydrophobicContact CD1-CE1 3.64Å; F949-Y1005 HydrophobicContact CD2-CD1 4.48Å; F949-Y1005 HydrophobicContact CE1-CE1 4.19Å; F949-Y1005 AromaticContact CG-CD1 3.8Å; F949-Y1005 HydrophobicContact CG-CD1 3.8Å; F949-Y1005 HydrophobicContact CG-CE1 4.04Å; Y1005-K1008 PolarHBondContact O-N 3.35Å; Y1005-I1009 WeakPolarHBondContact O-CB 3.23Å; Y1005-I1009 WeakPolarHBondContact O-CD1 3.44Å; Y1005-I1009 WeakPolarHBondContact O-CG1 3.34Å; Y1005-I1009 PolarHBondContact O-N 3.04Å |
| 1006 | E | 74.9 | Confident | 81.2 | Confident | 106 Ų | 106 | 49.6 Ų | 49.6 | 50% | 0.495 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -48.4 | 175.9 | -170.8 | 175.6 | -157.2 | 0 | 0 | 112.1 | N1004 K1008 I1009 D1010 | N1004-E1006 PolarHBondContact O-N 3.44Å; E1006-K1008 VanDerWaalsContact C-N 3.33Å; E1006-K1008 PolarHBondContact O-N 3.24Å; E1006-I1009 PolarHBondContact O-N 2.84Å; E1006-D1010 PolarHBondContact O-N 2.86Å |
| 1007 | G | 75.6 | Confident | 81 | Confident | 20 Ų | 20 | 51 Ų | 51 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -34.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1004 F1011 | N1004-G1007 PolarHBondContact O-N 2.89Å; N1004-G1007 PolarHBondContact OD1-N 3.48Å; G1007-F1011 VanDerWaalsContact O-CB 3.28Å; G1007-F1011 WeakPolarHBondContact O-CB 3.43Å; G1007-F1011 PolarHBondContact O-N 2.73Å |
| 1008 | K | 83.1 | Confident | 81.1 | Confident | 54 Ų | 54 | 50.8 Ų | 50.8 | 24% | 0.235 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67 | -37.6 | 172.8 | -70.4 | -179.9 | 179 | -173.4 | 0 | 112.3 | F949 I999 A1003 N1004 Y1005 E1006 L1012 L1040 | F949-K1008 HydrophobicContact CD2-CB 3.77Å; F949-K1008 HydrophobicContact CE2-CB 3.73Å; F949-K1008 HydrophobicContact CE2-CD 4.19Å; F949-K1008 HydrophobicContact CE2-CG 4.44Å; F949-K1008 HydrophobicContact CZ-CD 4.39Å; I999-K1008 HydrophobicContact CD1-CB 4.41Å; I999-K1008 HydrophobicContact CD1-CG 3.85Å; A1003-K1008 HydrophobicContact CB-CG 4.31Å; A1003-K1008 WeakPolarHBondContact O-CE 3.49Å; N1004-K1008 PolarHBondContact O-N 3.04Å; Y1005-K1008 PolarHBondContact O-N 3.35Å; E1006-K1008 VanDerWaalsContact C-N 3.33Å; E1006-K1008 PolarHBondContact O-N 3.24Å; K1008-L1012 WeakPolarHBondContact O-CG 3.32Å; K1008-L1012 PolarHBondContact O-N 3.18Å; K1008-L1040 HydrophobicContact CB-CD1 4.24Å; K1008-L1040 HydrophobicContact CD-CD1 4.38Å; K1008-L1040 HydrophobicContact CG-CD1 4.1Å |
| 1009 | I | 83 | Confident | 81.2 | Confident | 40 Ų | 40 | 55 Ų | 55 | 21% | 0.205 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.4 | -46.1 | 175.4 | -71.5 | 161.5 | 0 | 0 | 0 | 110.9 | P948 F949 L952 Y1005 E1006 F1011 L1012 S1013 | P948-I1009 HydrophobicContact CB-CD1 4.07Å; F949-I1009 HydrophobicContact CB-CD1 4.21Å; F949-I1009 HydrophobicContact CB-CG1 3.92Å; L952-I1009 HydrophobicContact CD2-CG2 4.3Å; Y1005-I1009 WeakPolarHBondContact O-CB 3.23Å; Y1005-I1009 WeakPolarHBondContact O-CD1 3.44Å; Y1005-I1009 WeakPolarHBondContact O-CG1 3.34Å; Y1005-I1009 PolarHBondContact O-N 3.04Å; E1006-I1009 PolarHBondContact O-N 2.84Å; I1009-F1011 VanDerWaalsContact C-N 3.32Å; I1009-F1011 PolarHBondContact O-N 3.2Å; I1009-L1012 PolarHBondContact O-N 3.16Å; I1009-S1013 VanDerWaalsContact O-CB 3.26Å; I1009-S1013 WeakPolarHBondContact O-CB 3.49Å; I1009-S1013 PolarHBondContact O-N 2.8Å; I1009-S1013 PolarHBondContact O-OG 2.8Å |
| 1010 | D | 77.6 | Confident | 81.5 | Confident | 37 Ų | 37 | 57.6 Ų | 57.6 | 20% | 0.198 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 177.7 | -81.6 | -5.3 | 0 | 0 | 0 | 110.9 | F977 E1006 S1013 E1014 R1138 | F977-D1010 HydrophobicContact CE1-CB 4.46Å; E1006-D1010 PolarHBondContact O-N 2.86Å; D1010-S1013 WeakPolarHBondContact O-CB 3.45Å; D1010-S1013 PolarHBondContact O-N 2.87Å; D1010-E1014 PolarHBondContact O-N 3.26Å; D1010-R1138 VanDerWaalsContact CG-NH1 3.32Å; D1010-R1138 IonicContact OD1-CZ 3.51Å; D1010-R1138 IonicContact OD1-NH1 2.65Å; D1010-R1138 PolarHBondContact OD1-NH1 2.97Å; D1010-R1138 IonicContact OD1-NH2 3.99Å; D1010-R1138 IonicContact OD2-NH1 2.93Å; D1010-R1138 PolarHBondContact OD2-NH1 2.84Å |
| 1011 | F | 84.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -47.7 | 174.3 | -178.6 | -91.8 | 0 | 0 | 0 | 113.2 | F977 K997 I999 G1007 I1009 S1013 E1014 L1040 L1042 | F977-F1011 HydrophobicContact CB-CD2 4.33Å; K997-F1011 HydrophobicContact CB-CE2 4.43Å; K997-F1011 HydrophobicContact CD-CE2 4.49Å; K997-F1011 HydrophobicContact CG-CE2 4.3Å; I999-F1011 HydrophobicContact CB-CD1 4.4Å; I999-F1011 HydrophobicContact CB-CD2 3.96Å; I999-F1011 HydrophobicContact CB-CE1 4.36Å; I999-F1011 HydrophobicContact CB-CE2 3.9Å; I999-F1011 HydrophobicContact CB-CG 4.2Å; I999-F1011 HydrophobicContact CB-CZ 4.1Å; I999-F1011 HydrophobicContact CD1-CB 3.81Å; I999-F1011 HydrophobicContact CD1-CD1 4.49Å; I999-F1011 HydrophobicContact CD1-CD2 4.34Å; I999-F1011 HydrophobicContact CD1-CG 4.01Å; I999-F1011 HydrophobicContact CG1-CD2 4.16Å; I999-F1011 HydrophobicContact CG1-CG 4.31Å; G1007-F1011 VanDerWaalsContact O-CB 3.28Å; G1007-F1011 WeakPolarHBondContact O-CB 3.43Å; G1007-F1011 PolarHBondContact O-N 2.73Å; I1009-F1011 VanDerWaalsContact C-N 3.32Å; I1009-F1011 PolarHBondContact O-N 3.2Å; F1011-S1013 VanDerWaalsContact C-N 3.28Å; F1011-S1013 PolarHBondContact O-N 3.17Å; F1011-E1014 WeakPolarHBondContact O-CB 3.28Å; F1011-E1014 PolarHBondContact O-N 3.19Å; F1011-L1040 HydrophobicContact CD1-CB 4.27Å; F1011-L1040 HydrophobicContact CE1-CB 3.81Å; F1011-L1042 HydrophobicContact CD1-CD1 4.35Å; F1011-L1042 HydrophobicContact CD2-CD1 4.39Å; F1011-L1042 HydrophobicContact CE1-CB 4.22Å; F1011-L1042 HydrophobicContact CE1-CD1 4.11Å; F1011-L1042 HydrophobicContact CE1-CG 4.27Å; F1011-L1042 HydrophobicContact CE2-CB 4.46Å; F1011-L1042 HydrophobicContact CE2-CD1 4.17Å; F1011-L1042 HydrophobicContact CG-CD1 4.5Å; F1011-L1042 HydrophobicContact CZ-CB 3.81Å; F1011-L1042 HydrophobicContact CZ-CD1 4.03Å; F1011-L1042 HydrophobicContact CZ-CG 4.26Å |
| 1012 | L | 88.3 | Confident | 83.7 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.9 | -22.3 | 176 | -69.7 | 179.9 | 0 | 0 | 0 | 112.8 | F949 L952 C953 L956 K1008 I1009 E1014 A1015 K1016 L1034 L1040 | F949-L1012 HydrophobicContact CD2-CD1 3.99Å; F949-L1012 HydrophobicContact CE2-CD1 3.61Å; L952-L1012 HydrophobicContact CD2-CB 3.53Å; L952-L1012 HydrophobicContact CG-CB 3.83Å; L952-L1012 HydrophobicContact CG-CD1 4.45Å; C953-L1012 VanDerWaalsContact SG-CD1 3.56Å; L956-L1012 HydrophobicContact CD1-CB 4.17Å; L956-L1012 HydrophobicContact CD1-CD2 4.43Å; K1008-L1012 WeakPolarHBondContact O-CG 3.32Å; K1008-L1012 PolarHBondContact O-N 3.18Å; I1009-L1012 PolarHBondContact O-N 3.16Å; L1012-E1014 VanDerWaalsContact C-N 3.29Å; L1012-E1014 PolarHBondContact O-N 3.36Å; L1012-A1015 PolarHBondContact O-N 3.06Å; L1012-K1016 WeakPolarHBondContact O-CB 3.35Å; L1012-K1016 PolarHBondContact O-N 3.25Å; L1012-L1034 HydrophobicContact CD1-CD2 4.14Å; L1012-L1034 HydrophobicContact CD2-CD2 3.81Å; L1012-L1040 HydrophobicContact CD1-CD1 4.35Å; L1012-L1040 HydrophobicContact CG-CD1 4.33Å |
| 1013 | S | 83.8 | Confident | 84.9 | Confident | 46 Ų | 46 | 46.4 Ų | 46.4 | 32% | 0.322 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.9 | -32.1 | 172.4 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | I1009 D1010 F1011 L1017 | I1009-S1013 VanDerWaalsContact O-CB 3.26Å; I1009-S1013 WeakPolarHBondContact O-CB 3.49Å; I1009-S1013 PolarHBondContact O-N 2.8Å; I1009-S1013 PolarHBondContact O-OG 2.8Å; D1010-S1013 WeakPolarHBondContact O-CB 3.45Å; D1010-S1013 PolarHBondContact O-N 2.87Å; F1011-S1013 VanDerWaalsContact C-N 3.28Å; F1011-S1013 PolarHBondContact O-N 3.17Å; S1013-L1017 WeakPolarHBondContact O-CB 3.13Å; S1013-L1017 PolarHBondContact O-N 3.04Å |
| 1014 | E | 86.9 | Confident | 86.2 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.019 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63 | -48.5 | 170.8 | -166 | -178.1 | 171.3 | 0 | 0 | 110.8 | K997 D1010 F1011 L1012 K1016 L1017 M1018 L1042 F1119 | K997-E1014 IonicContact NZ-OE1 3.78Å; K997-E1014 PolarHBondContact NZ-OE1 3.1Å; K997-E1014 IonicContact NZ-OE2 3.63Å; K997-E1014 PolarHBondContact NZ-OE2 2.98Å; D1010-E1014 PolarHBondContact O-N 3.26Å; F1011-E1014 WeakPolarHBondContact O-CB 3.28Å; F1011-E1014 PolarHBondContact O-N 3.19Å; L1012-E1014 VanDerWaalsContact C-N 3.29Å; L1012-E1014 PolarHBondContact O-N 3.36Å; E1014-K1016 PolarHBondContact O-N 2.92Å; E1014-L1017 WeakPolarHBondContact O-CB 3.08Å; E1014-L1017 PolarHBondContact O-N 2.93Å; E1014-M1018 HydrophobicContact CG-SD 4.24Å; E1014-M1018 WeakPolarHBondContact O-CG 3.22Å; E1014-M1018 PolarHBondContact O-N 3.45Å; E1014-L1042 HydrophobicContact CB-CD1 4.29Å; E1014-F1119 HydrophobicContact CG-CB 3.81Å; E1014-F1119 PolarHBondContact OE1-N 3.21Å |
| 1015 | A | 89.2 | Confident | 87.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L956 L1012 L1017 M1018 R1019 I1032 L1042 | L956-A1015 HydrophobicContact CD1-CB 4.35Å; L1012-A1015 PolarHBondContact O-N 3.06Å; A1015-L1017 VanDerWaalsContact C-N 3.29Å; A1015-L1017 PolarHBondContact O-N 3.43Å; A1015-M1018 PolarHBondContact O-N 2.85Å; A1015-R1019 PolarHBondContact O-N 3.44Å; A1015-I1032 HydrophobicContact CB-CG2 3.76Å; A1015-L1042 HydrophobicContact CB-CD1 4.31Å; A1015-L1042 HydrophobicContact CB-CD2 3.85Å; A1015-L1042 HydrophobicContact CB-CG 4.08Å |
| 1016 | K | 90.3 | Very high | 88 | Confident | 89 Ų | 89 | 41.1 Ų | 41.1 | 39% | 0.387 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.4 | -37.7 | 175.8 | 178.1 | 170.2 | 173.5 | 167.2 | 0 | 112.9 | L952 E955 L956 L1012 E1014 | L952-K1016 HydrophobicContact CD1-CB 4.18Å; L952-K1016 HydrophobicContact CD1-CD 3.59Å; L952-K1016 HydrophobicContact CD1-CG 4.46Å; E955-K1016 WeakPolarHBondContact OE1-CE 3.49Å; E955-K1016 IonicContact OE1-NZ 3.25Å; E955-K1016 PolarHBondContact OE1-NZ 2.71Å; E955-K1016 WeakPolarHBondContact OE2-CE 3.24Å; E955-K1016 IonicContact OE2-NZ 2.66Å; E955-K1016 PolarHBondContact OE2-NZ 3.48Å; L956-K1016 HydrophobicContact CD1-CB 4.29Å; L956-K1016 HydrophobicContact CD2-CB 3.95Å; L956-K1016 HydrophobicContact CD2-CG 4.41Å; L1012-K1016 WeakPolarHBondContact O-CB 3.35Å; L1012-K1016 PolarHBondContact O-N 3.25Å; E1014-K1016 PolarHBondContact O-N 2.92Å |
| 1017 | L | 88.6 | Confident | 89 | Confident | 29 Ų | 29 | 36.3 Ų | 36.3 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.2 | -51.4 | 175.7 | -170.6 | 159.1 | 0 | 0 | 0 | 110.3 | S1013 E1014 A1015 R1019 S1020 L1021 L1096 F1119 T1122 | S1013-L1017 WeakPolarHBondContact O-CB 3.13Å; S1013-L1017 PolarHBondContact O-N 3.04Å; E1014-L1017 WeakPolarHBondContact O-CB 3.08Å; E1014-L1017 PolarHBondContact O-N 2.93Å; A1015-L1017 VanDerWaalsContact C-N 3.29Å; A1015-L1017 PolarHBondContact O-N 3.43Å; L1017-R1019 VanDerWaalsContact C-N 3.29Å; L1017-R1019 PolarHBondContact O-N 3.29Å; L1017-S1020 PolarHBondContact O-N 2.76Å; L1017-S1020 PolarHBondContact O-OG 3.47Å; L1017-L1021 HydrophobicContact CD2-CD1 3.82Å; L1017-L1021 HydrophobicContact CD2-CG 4.43Å; L1017-L1096 HydrophobicContact CD1-CD2 4.35Å; L1017-L1096 HydrophobicContact CD2-CD1 4.04Å; L1017-L1096 HydrophobicContact CG-CD1 4.48Å; L1017-L1096 HydrophobicContact CG-CD2 4.42Å; L1017-F1119 HydrophobicContact CD2-CB 4.21Å; L1017-F1119 HydrophobicContact CD2-CD1 4.04Å; L1017-F1119 HydrophobicContact CD2-CG 4.27Å; L1017-T1122 HydrophobicContact CD1-CG2 3.81Å; L1017-T1122 HydrophobicContact CD2-CG2 4.3Å |
| 1018 | M | 91.7 | Very high | 89.9 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -29 | -178.5 | -67.3 | -179.7 | 75.3 | 0 | 0 | 113.8 | E1014 A1015 S1020 L1021 V1027 L1029 M1044 F1119 | E1014-M1018 HydrophobicContact CG-SD 4.24Å; E1014-M1018 WeakPolarHBondContact O-CG 3.22Å; E1014-M1018 PolarHBondContact O-N 3.45Å; A1015-M1018 PolarHBondContact O-N 2.85Å; M1018-S1020 PolarHBondContact O-N 3.12Å; M1018-L1021 PolarHBondContact O-N 3.18Å; M1018-V1027 HydrophobicContact CE-CG1 4.42Å; M1018-V1027 VanDerWaalsContact CE-O 3.26Å; M1018-V1027 WeakPolarHBondContact CE-O 3.48Å; M1018-L1029 HydrophobicContact CB-CB 4.04Å; M1018-L1029 HydrophobicContact CB-CD2 4.22Å; M1018-M1044 HydrophobicContact CE-CG 4.15Å; M1018-M1044 HydrophobicContact CE-SD 4.08Å; M1018-M1044 HydrophobicContact SD-SD 4.49Å; M1018-F1119 HydrophobicContact CE-CD2 4.01Å; M1018-F1119 HydrophobicContact CE-CE2 4.17Å; M1018-F1119 HydrophobicContact CG-CB 4.24Å; M1018-F1119 HydrophobicContact CG-CD2 3.64Å; M1018-F1119 HydrophobicContact CG-CE2 4.35Å; M1018-F1119 HydrophobicContact CG-CG 4.07Å; M1018-F1119 HydrophobicContact SD-CD2 3.77Å |
| 1019 | R | 91.5 | Very high | 90.4 | Very high | 104 Ų | 104 | 37.6 Ų | 37.6 | 39% | 0.392 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -28.9 | 174 | -178.7 | 177.2 | -177.6 | -169.1 | 2.5 | 114 | E955 D958 L959 A1015 L1017 L1029 | E955-R1019 PolarHBondContact O-NH1 2.73Å; D958-R1019 IonicContact OD1-CZ 3.2Å; D958-R1019 IonicContact OD1-NE 2.59Å; D958-R1019 IonicContact OD1-NH1 3.92Å; D958-R1019 IonicContact OD1-NH2 2.73Å; D958-R1019 PolarHBondContact OD1-NH2 3.21Å; D958-R1019 IonicContact OD2-CZ 3.39Å; D958-R1019 VanDerWaalsContact OD2-CZ 3.3Å; D958-R1019 IonicContact OD2-NE 2.73Å; D958-R1019 PolarHBondContact OD2-NE 3.05Å; D958-R1019 IonicContact OD2-NH2 2.67Å; D958-R1019 PolarHBondContact OD2-NH2 2.66Å; L959-R1019 HydrophobicContact CD1-CB 4.01Å; L959-R1019 HydrophobicContact CD1-CG 3.86Å; A1015-R1019 PolarHBondContact O-N 3.44Å; L1017-R1019 VanDerWaalsContact C-N 3.29Å; L1017-R1019 PolarHBondContact O-N 3.29Å; R1019-L1029 HydrophobicContact CB-CD2 4.4Å |
| 1020 | S | 86.6 | Confident | 90.9 | Very high | 65 Ų | 65 | 36 Ų | 36 | 46% | 0.455 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 1 | -177.6 | 72.6 | 0 | 0 | 0 | 0 | 114.9 | L1017 M1018 K1094 | L1017-S1020 PolarHBondContact O-N 2.76Å; L1017-S1020 PolarHBondContact O-OG 3.47Å; M1018-S1020 PolarHBondContact O-N 3.12Å; S1020-K1094 PolarHBondContact O-NZ 2.95Å |
| 1021 | L | 93 | Very high | 91.6 | Very high | 11 Ų | 11 | 34.3 Ų | 34.3 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | trans | -104.4 | 127.6 | -173.9 | -53.3 | -173.8 | 0 | 0 | 0 | 111.4 | L1017 M1018 V1026 Y1090 L1091 L1096 F1119 | L1017-L1021 HydrophobicContact CD2-CD1 3.82Å; L1017-L1021 HydrophobicContact CD2-CG 4.43Å; M1018-L1021 PolarHBondContact O-N 3.18Å; L1021-V1026 HydrophobicContact CB-CG1 4.05Å; L1021-V1026 HydrophobicContact CD1-CG1 3.98Å; L1021-Y1090 HydrophobicContact CB-CE1 4.45Å; L1021-Y1090 HydrophobicContact CD2-CE1 4.05Å; L1021-L1091 HydrophobicContact CD1-CD2 3.94Å; L1021-L1091 HydrophobicContact CD2-CD2 4.13Å; L1021-L1096 HydrophobicContact CD2-CD1 3.68Å; L1021-F1119 HydrophobicContact CD1-CD1 4.22Å; L1021-F1119 HydrophobicContact CD1-CE1 3.92Å; L1021-F1119 HydrophobicContact CD1-CE2 4.47Å; L1021-F1119 HydrophobicContact CD1-CZ 4.08Å | ||
| 1022 | N | 93.2 | Very high | 92 | Very high | 125 Ų | 125 | 34.3 Ų | 34.3 | 67% | 0.668 | 18% | 0.177 | S | C | * | . | trans | -152.7 | 106.4 | 173.4 | -176.8 | 15.5 | 0 | 0 | 0 | 108.2 | Y1090 | N1022-Y1090 PolarHBondContact N-OH 3.44Å; N1022-Y1090 WeakPolarHBondContact O-CE2 3.34Å; N1022-Y1090 VanDerWaalsContact O-CZ 3.26Å; N1022-Y1090 PolarHBondContact O-OH 3.2Å | ||
| 1023 | H | 96.5 | Very high | 92.1 | Very high | 41 Ų | 41 | 34.4 Ų | 34.4 | 19% | 0.19 | 18% | 0.178 | C | C | . | . | trans | -159 | 142.8 | -178.4 | -172.9 | -97.3 | 0 | 0 | 0 | 108.6 | N1025 V1026 Y1090 | H1023-N1025 PolarHBondContact CE1-OD1 3.05Å; H1023-N1025 VanDerWaalsContact CE1-OD1 3.3Å; H1023-N1025 PolarHBondContact ND1-N 2.89Å; H1023-N1025 PolarHBondContact O-N 2.95Å; H1023-V1026 HydrophobicContact CB-CB 4.07Å; H1023-V1026 HydrophobicContact CB-CG2 4.01Å; H1023-V1026 PolarHBondContact O-N 3.3Å; H1023-V1026 VanDerWaalsContact O-N 3.12Å; H1023-Y1090 HydrophobicContact CB-CD1 3.76Å; H1023-Y1090 HydrophobicContact CB-CD2 3.79Å; H1023-Y1090 HydrophobicContact CB-CE1 3.88Å; H1023-Y1090 HydrophobicContact CB-CE2 3.88Å; H1023-Y1090 HydrophobicContact CB-CG 3.7Å; H1023-Y1090 AromaticContact CD2-CD2 3.35Å; H1023-Y1090 WeakPolarHBondContact CD2-CD2 3.34Å; H1023-Y1090 AromaticContact CD2-CG 3.63Å; H1023-Y1090 AromaticContact CG-CD2 3.72Å; H1023-Y1090 AromaticContact CG-CG 3.62Å | ||
| 1024 | P | 96.3 | Very high | 92.2 | Very high | 83 Ų | 83 | 33.4 Ų | 33.4 | 54% | 0.539 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -40 | -179.3 | 17.6 | -32 | 0 | 0 | 0 | 113.4 | K1115 | P1024-K1115 VanDerWaalsContact O-CD 3.23Å; P1024-K1115 WeakPolarHBondContact O-CD 3.44Å; P1024-K1115 WeakPolarHBondContact O-CE 3.3Å; P1024-K1115 WeakPolarHBondContact O-CG 3.38Å; P1024-K1115 PolarHBondContact O-NZ 2.82Å |
| 1025 | N | 97.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 24.9 | -178.2 | -44.8 | 93.4 | 0 | 0 | 0 | 114.7 | H1023 D1083 Q1086 V1114 K1115 I1116 | H1023-N1025 PolarHBondContact CE1-OD1 3.05Å; H1023-N1025 VanDerWaalsContact CE1-OD1 3.3Å; H1023-N1025 PolarHBondContact ND1-N 2.89Å; H1023-N1025 PolarHBondContact O-N 2.95Å; N1025-D1083 WeakPolarHBondContact CB-O 3.47Å; N1025-D1083 WeakPolarHBondContact ND2-CA 3.37Å; N1025-D1083 WeakPolarHBondContact ND2-CB 3.3Å; N1025-D1083 PolarHBondContact ND2-OD1 3.35Å; N1025-Q1086 PolarHBondContact OD1-OE1 3.17Å; N1025-V1114 WeakPolarHBondContact CB-O 3.38Å; N1025-V1114 PolarHBondContact ND2-O 3.35Å; N1025-V1114 VanDerWaalsContact ND2-O 3.15Å; N1025-K1115 WeakPolarHBondContact O-CA 3.5Å; N1025-I1116 PolarHBondContact O-N 3.4Å |
| 1026 | V | 96.7 | Very high | 90 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -130.6 | 132.1 | 175 | 170.4 | 0 | 0 | 0 | 0 | 108.9 | L1021 H1023 R1028 Y1090 F1119 | L1021-V1026 HydrophobicContact CB-CG1 4.05Å; L1021-V1026 HydrophobicContact CD1-CG1 3.98Å; H1023-V1026 HydrophobicContact CB-CB 4.07Å; H1023-V1026 HydrophobicContact CB-CG2 4.01Å; H1023-V1026 PolarHBondContact O-N 3.3Å; H1023-V1026 VanDerWaalsContact O-N 3.12Å; V1026-R1028 PolarHBondContact O-N 3.31Å; V1026-R1028 VanDerWaalsContact O-N 3.17Å; V1026-Y1090 HydrophobicContact CG2-CD1 4.09Å; V1026-F1119 HydrophobicContact CG1-CE2 4.38Å; V1026-F1119 HydrophobicContact CG1-CZ 3.84Å |
| 1027 | V | 95.3 | Very high | 88.4 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 116.4 | -178.5 | 174 | 0 | 0 | 0 | 0 | 110.2 | M1018 M1044 E1045 M1047 L1107 K1115 I1116 | M1018-V1027 HydrophobicContact CE-CG1 4.42Å; M1018-V1027 VanDerWaalsContact CE-O 3.26Å; M1018-V1027 WeakPolarHBondContact CE-O 3.48Å; V1027-M1044 HydrophobicContact CG1-CB 4.14Å; V1027-E1045 WeakPolarHBondContact CA-OE1 3.39Å; V1027-E1045 HydrophobicContact CG1-CG 4.19Å; V1027-M1047 HydrophobicContact CG2-CG 4.32Å; V1027-L1107 HydrophobicContact CG2-CD1 4.07Å; V1027-K1115 HydrophobicContact CG2-CB 3.82Å; V1027-I1116 WeakPolarHBondContact CB-O 3.39Å; V1027-I1116 WeakPolarHBondContact CG2-O 3.43Å; V1027-I1116 PolarHBondContact N-O 3.01Å |
| 1028 | R | 94.1 | Very high | 87 | Confident | 81 Ų | 81 | 48.6 Ų | 48.6 | 31% | 0.306 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 133.8 | -176.4 | -178.1 | 179.4 | 65.7 | 89.5 | -6.5 | 112.3 | E992 V1026 I1030 M1044 E1045 | E992-R1028 IonicContact OE2-CZ 2.68Å; E992-R1028 IonicContact OE2-NH1 3.3Å; E992-R1028 IonicContact OE2-NH2 2.76Å; E992-R1028 PolarHBondContact OE2-NH2 2.74Å; V1026-R1028 PolarHBondContact O-N 3.31Å; V1026-R1028 VanDerWaalsContact O-N 3.17Å; R1028-I1030 VanDerWaalsContact NH1-CG1 3.31Å; R1028-M1044 WeakPolarHBondContact O-CA 3.41Å; R1028-E1045 HydrophobicContact CB-CG 4.24Å; R1028-E1045 WeakPolarHBondContact CB-OE1 3.48Å; R1028-E1045 PolarHBondContact N-OE1 3.11Å; R1028-E1045 PolarHBondContact O-N 3.47Å; R1028-E1045 VanDerWaalsContact O-N 3.07Å |
| 1029 | L | 94 | Very high | 86.2 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 131.4 | 164.8 | -173.2 | 68.1 | 0 | 0 | 0 | 110.6 | L959 M1018 R1019 I1032 L1042 I1043 | L959-L1029 HydrophobicContact CD1-CD2 3.8Å; M1018-L1029 HydrophobicContact CB-CB 4.04Å; M1018-L1029 HydrophobicContact CB-CD2 4.22Å; R1019-L1029 HydrophobicContact CB-CD2 4.4Å; L1029-I1032 HydrophobicContact CD1-CG2 4.49Å; L1029-L1042 HydrophobicContact CD1-CD2 3.36Å; L1029-I1043 WeakPolarHBondContact CD1-O 3.27Å |
| 1030 | I | 92.8 | Very high | 86 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -41.1 | 175.4 | -76.8 | 170.2 | 0 | 0 | 0 | 111 | M961 K987 E992 V994 R1028 I1043 E1045 | M961-I1030 HydrophobicContact SD-CG2 4.07Å; K987-I1030 HydrophobicContact CD-CG2 4.43Å; K987-I1030 PolarHBondContact NZ-O 3.24Å; E992-I1030 HydrophobicContact CG-CD1 4.13Å; E992-I1030 WeakPolarHBondContact OE1-CG2 3.3Å; E992-I1030 WeakPolarHBondContact OE2-CD1 3.38Å; V994-I1030 HydrophobicContact CB-CD1 4.3Å; V994-I1030 HydrophobicContact CG1-CD1 3.43Å; V994-I1030 VanDerWaalsContact CG1-CD1 3.43Å; V994-I1030 HydrophobicContact CG1-CG2 4.45Å; R1028-I1030 VanDerWaalsContact NH1-CG1 3.31Å; I1030-I1043 HydrophobicContact CB-CB 4.42Å; I1030-I1043 HydrophobicContact CB-CG2 3.95Å; I1030-I1043 WeakPolarHBondContact CB-O 3.46Å; I1030-I1043 HydrophobicContact CG2-CB 4.46Å; I1030-I1043 HydrophobicContact CG2-CG2 3.8Å; I1030-I1043 PolarHBondContact N-O 3.4Å; I1030-E1045 HydrophobicContact CD1-CB 4.39Å |
| 1031 | G | 92 | Very high | 86.2 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | -172.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L959 I1043 | L959-G1031 WeakPolarHBondContact O-CA 3.45Å; G1031-I1043 PolarHBondContact N-O 3.27Å; G1031-I1043 WeakPolarHBondContact O-CA 3.36Å; G1031-I1043 WeakPolarHBondContact O-CB 3.2Å; G1031-I1043 PolarHBondContact O-N 3.03Å |
| 1032 | I | 92.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 174.2 | 173.7 | 60.9 | -178.9 | 0 | 0 | 0 | 110 | L956 L959 M961 A1015 L1029 L1034 Y1041 L1042 I1043 | L956-I1032 HydrophobicContact CB-CD1 3.59Å; L956-I1032 HydrophobicContact CD1-CD1 4.25Å; L959-I1032 HydrophobicContact CB-CD1 4.17Å; L959-I1032 HydrophobicContact CB-CG1 3.89Å; L959-I1032 PolarHBondContact O-N 3.12Å; M961-I1032 WeakPolarHBondContact CB-O 3.45Å; M961-I1032 PolarHBondContact N-O 3.45Å; A1015-I1032 HydrophobicContact CB-CG2 3.76Å; L1029-I1032 HydrophobicContact CD1-CG2 4.49Å; I1032-L1034 HydrophobicContact CD1-CD1 3.9Å; I1032-L1034 HydrophobicContact CD1-CD2 3.69Å; I1032-L1034 HydrophobicContact CD1-CG 3.69Å; I1032-L1034 HydrophobicContact CG1-CD2 4.39Å; I1032-L1034 HydrophobicContact CG1-CG 4.07Å; I1032-Y1041 CarbonylContact C-O 3.49Å; I1032-Y1041 VanDerWaalsContact CA-O 3.26Å; I1032-Y1041 WeakPolarHBondContact CA-O 3.47Å; I1032-Y1041 WeakPolarHBondContact CB-O 3.45Å; I1032-L1042 HydrophobicContact CG2-CD2 4.28Å; I1032-L1042 HydrophobicContact CG2-CG 4.4Å; I1032-I1043 VanDerWaalsContact CA-CD1 3.45Å |
| 1033 | S | 90.8 | Very high | 86.1 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 119.1 | 164.3 | -156 | 0 | 0 | 0 | 0 | 110.3 | D960 M961 Y1041 | D960-S1033 VanDerWaalsContact OD1-CA 3.31Å; D960-S1033 WeakPolarHBondContact OD1-CA 3.37Å; M961-S1033 PolarHBondContact O-OG 2.91Å; S1033-Y1041 PolarHBondContact N-O 3.32Å; S1033-Y1041 PolarHBondContact O-N 2.99Å |
| 1034 | L | 86.8 | Confident | 86 | Confident | 25 Ų | 25 | 36.2 Ų | 36.2 | 13% | 0.131 | 19% | 0.194 | C | C | . | . | trans | -101.6 | 31 | -170.8 | -67.5 | -179.8 | 0 | 0 | 0 | 113.2 | C953 D960 L1012 I1032 P1036 L1040 | C953-L1034 HydrophobicContact CB-CD1 4.27Å; C953-L1034 HydrophobicContact CB-CD2 4.45Å; C953-L1034 VanDerWaalsContact O-CD1 3.3Å; C953-L1034 WeakPolarHBondContact O-CD1 3.49Å; D960-L1034 HydrophobicContact CB-CD1 4.3Å; D960-L1034 HydrophobicContact CB-CG 4.48Å; D960-L1034 PolarHBondContact OD1-N 3.45Å; L1012-L1034 HydrophobicContact CD1-CD2 4.14Å; L1012-L1034 HydrophobicContact CD2-CD2 3.81Å; I1032-L1034 HydrophobicContact CD1-CD1 3.9Å; I1032-L1034 HydrophobicContact CD1-CD2 3.69Å; I1032-L1034 HydrophobicContact CD1-CG 3.69Å; I1032-L1034 HydrophobicContact CG1-CD2 4.39Å; I1032-L1034 HydrophobicContact CG1-CG 4.07Å; L1034-P1036 WeakPolarHBondContact O-CD 3.41Å; L1034-L1040 HydrophobicContact CD2-CD2 4.4Å | ||
| 1035 | N | 73.4 | Confident | 85.9 | Confident | 59 Ų | 59 | 33.8 Ų | 33.8 | 32% | 0.316 | 18% | 0.176 | S | C | . | . | trans | -69.4 | 111.3 | -176 | -174.3 | -17.7 | 0 | 0 | 0 | 112.2 | K1037 A1038 | N1035-K1037 PolarHBondContact O-N 3.3Å; N1035-K1037 VanDerWaalsContact O-N 3.16Å; N1035-K1037 PolarHBondContact OD1-N 3.07Å; N1035-A1038 HydrophobicContact CB-CB 4.14Å; N1035-A1038 PolarHBondContact O-N 2.97Å; N1035-A1038 VanDerWaalsContact O-N 3.16Å | ||
| 1036 | P | 55.7 | Low | 85.6 | Confident | 125 Ų | 125 | 36.2 Ų | 36.2 | 81% | 0.812 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -8 | -176.1 | 32.3 | -36.9 | 0 | 0 | 0 | 113.8 | L1034 | L1034-P1036 WeakPolarHBondContact O-CD 3.41Š|
| 1037 | K | 56.5 | Low | 85.5 | Confident | 204 Ų | 204 | 36.9 Ų | 36.9 | 89% | 0.887 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 2 | 175.3 | -64.3 | 179.1 | 179.5 | 174.2 | 0 | 112.9 | N1035 | N1035-K1037 PolarHBondContact O-N 3.3Å; N1035-K1037 VanDerWaalsContact O-N 3.16Å; N1035-K1037 PolarHBondContact OD1-N 3.07Å |
| 1038 | A | 59.5 | Low | 85.2 | Confident | 52 Ų | 52 | 40.8 Ų | 40.8 | 43% | 0.43 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -141.8 | -169.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1035 | N1035-A1038 HydrophobicContact CB-CB 4.14Å; N1035-A1038 PolarHBondContact O-N 2.97Å; N1035-A1038 VanDerWaalsContact O-N 3.16Å |
| 1039 | S | 74.5 | Confident | 85 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 11% | 0.112 | 21% | 0.213 | C | C | . | . | trans | -73.1 | 145.2 | 172.1 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | E1001 | E1001-S1039 VanDerWaalsContact CG-OG 3.29Å; E1001-S1039 WeakPolarHBondContact CG-OG 3.41Å | ||
| 1040 | L | 87.9 | Confident | 84.9 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | trans | -78.8 | 137.3 | 172.1 | -57.9 | 171.3 | 0 | 0 | 0 | 110.1 | F949 I999 K1008 F1011 L1012 L1034 | F949-L1040 HydrophobicContact CE2-CD1 3.83Å; F949-L1040 HydrophobicContact CZ-CD1 4.2Å; I999-L1040 HydrophobicContact CG2-CB 3.81Å; I999-L1040 HydrophobicContact CG2-CD1 4.45Å; I999-L1040 HydrophobicContact CG2-CG 4.29Å; I999-L1040 PolarHBondContact N-O 3.36Å; K1008-L1040 HydrophobicContact CB-CD1 4.24Å; K1008-L1040 HydrophobicContact CD-CD1 4.38Å; K1008-L1040 HydrophobicContact CG-CD1 4.1Å; F1011-L1040 HydrophobicContact CD1-CB 4.27Å; F1011-L1040 HydrophobicContact CE1-CB 3.81Å; L1012-L1040 HydrophobicContact CD1-CD1 4.35Å; L1012-L1040 HydrophobicContact CG-CD1 4.33Å; L1034-L1040 HydrophobicContact CD2-CD2 4.4Å | ||
| 1041 | Y | 90.7 | Very high | 84.9 | Confident | 45 Ų | 45 | 41.9 Ų | 41.9 | 18% | 0.176 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 143.2 | -179.5 | -58.3 | -28.8 | 0 | 0 | 0 | 112 | I966 L968 V996 V998 I1032 S1033 | I966-Y1041 HydrophobicContact CD1-CD2 4.06Å; L968-Y1041 HydrophobicContact CD1-CE1 4.47Å; V996-Y1041 HydrophobicContact CG1-CD1 4.31Å; V996-Y1041 HydrophobicContact CG1-CG 4.01Å; V998-Y1041 HydrophobicContact CB-CD1 4.28Å; V998-Y1041 HydrophobicContact CB-CE1 4.45Å; V998-Y1041 HydrophobicContact CG1-CD1 3.96Å; V998-Y1041 HydrophobicContact CG1-CE1 3.76Å; V998-Y1041 HydrophobicContact CG2-CD1 3.75Å; V998-Y1041 HydrophobicContact CG2-CE1 3.95Å; I1032-Y1041 CarbonylContact C-O 3.49Å; I1032-Y1041 VanDerWaalsContact CA-O 3.26Å; I1032-Y1041 WeakPolarHBondContact CA-O 3.47Å; I1032-Y1041 WeakPolarHBondContact CB-O 3.45Å; S1033-Y1041 PolarHBondContact N-O 3.32Å; S1033-Y1041 PolarHBondContact O-N 2.99Å |
| 1042 | L | 91.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 105.6 | 174.9 | -124.4 | 168.6 | 0 | 0 | 0 | 107.5 | V996 K997 F1011 E1014 A1015 L1029 I1032 | V996-L1042 CarbonylContact C-O 3.57Å; V996-L1042 WeakPolarHBondContact CA-O 3.39Å; K997-L1042 HydrophobicContact CB-CB 3.72Å; K997-L1042 HydrophobicContact CD-CD1 4.38Å; K997-L1042 PolarHBondContact N-O 3.06Å; K997-L1042 PolarHBondContact O-N 3.37Å; F1011-L1042 HydrophobicContact CD1-CD1 4.35Å; F1011-L1042 HydrophobicContact CD2-CD1 4.39Å; F1011-L1042 HydrophobicContact CE1-CB 4.22Å; F1011-L1042 HydrophobicContact CE1-CD1 4.11Å; F1011-L1042 HydrophobicContact CE1-CG 4.27Å; F1011-L1042 HydrophobicContact CE2-CB 4.46Å; F1011-L1042 HydrophobicContact CE2-CD1 4.17Å; F1011-L1042 HydrophobicContact CG-CD1 4.5Å; F1011-L1042 HydrophobicContact CZ-CB 3.81Å; F1011-L1042 HydrophobicContact CZ-CD1 4.03Å; F1011-L1042 HydrophobicContact CZ-CG 4.26Å; E1014-L1042 HydrophobicContact CB-CD1 4.29Å; A1015-L1042 HydrophobicContact CB-CD1 4.31Å; A1015-L1042 HydrophobicContact CB-CD2 3.85Å; A1015-L1042 HydrophobicContact CB-CG 4.08Å; L1029-L1042 HydrophobicContact CD1-CD2 3.36Å; I1032-L1042 HydrophobicContact CG2-CD2 4.28Å; I1032-L1042 HydrophobicContact CG2-CG 4.4Å |
| 1043 | I | 92.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.3 | -171.3 | -55.8 | 83.3 | 0 | 0 | 0 | 108.9 | I966 A985 V994 V996 L1029 I1030 G1031 I1032 | I966-I1043 HydrophobicContact CD1-CD1 3.87Å; I966-I1043 HydrophobicContact CD1-CG1 4.19Å; A985-I1043 HydrophobicContact CB-CG2 4.11Å; V994-I1043 HydrophobicContact CB-CG2 3.65Å; V994-I1043 HydrophobicContact CG1-CG2 3.71Å; V994-I1043 HydrophobicContact CG2-CG2 3.85Å; V996-I1043 HydrophobicContact CG1-CG1 4.29Å; V996-I1043 HydrophobicContact CG2-CG1 4.23Å; V996-I1043 HydrophobicContact CG2-CG2 4.45Å; L1029-I1043 WeakPolarHBondContact CD1-O 3.27Å; I1030-I1043 HydrophobicContact CB-CB 4.42Å; I1030-I1043 HydrophobicContact CB-CG2 3.95Å; I1030-I1043 WeakPolarHBondContact CB-O 3.46Å; I1030-I1043 HydrophobicContact CG2-CB 4.46Å; I1030-I1043 HydrophobicContact CG2-CG2 3.8Å; I1030-I1043 PolarHBondContact N-O 3.4Å; G1031-I1043 PolarHBondContact N-O 3.27Å; G1031-I1043 WeakPolarHBondContact O-CA 3.36Å; G1031-I1043 WeakPolarHBondContact O-CB 3.2Å; G1031-I1043 PolarHBondContact O-N 3.03Å; I1032-I1043 VanDerWaalsContact CA-CD1 3.45Å |
| 1044 | M | 93.8 | Very high | 85.1 | Confident | 21 Ų | 21 | 47.3 Ų | 47.3 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 163.4 | -172.8 | -54.7 | 171.6 | -64.3 | 0 | 0 | 110.1 | V994 A995 K997 M1018 V1027 R1028 | V994-M1044 CarbonylContact C-O 3.51Å; V994-M1044 WeakPolarHBondContact CA-O 3.34Å; V994-M1044 WeakPolarHBondContact CB-O 3.34Å; A995-M1044 HydrophobicContact CB-CE 4.35Å; A995-M1044 PolarHBondContact N-O 3.25Å; A995-M1044 PolarHBondContact O-N 2.85Å; K997-M1044 HydrophobicContact CB-CE 3.99Å; M1018-M1044 HydrophobicContact CE-CG 4.15Å; M1018-M1044 HydrophobicContact CE-SD 4.08Å; M1018-M1044 HydrophobicContact SD-SD 4.49Å; V1027-M1044 HydrophobicContact CG1-CB 4.14Å; R1028-M1044 WeakPolarHBondContact O-CA 3.41Å |
| 1045 | E | 93.8 | Very high | 85.5 | Confident | 33 Ų | 33 | 46.2 Ų | 46.2 | 15% | 0.154 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 143.6 | 174.2 | 66.5 | -176.8 | 148.1 | 0 | 0 | 113.1 | V1027 R1028 I1030 M1047 K1115 | V1027-E1045 WeakPolarHBondContact CA-OE1 3.39Å; V1027-E1045 HydrophobicContact CG1-CG 4.19Å; R1028-E1045 HydrophobicContact CB-CG 4.24Å; R1028-E1045 WeakPolarHBondContact CB-OE1 3.48Å; R1028-E1045 PolarHBondContact N-OE1 3.11Å; R1028-E1045 PolarHBondContact O-N 3.47Å; R1028-E1045 VanDerWaalsContact O-N 3.07Å; I1030-E1045 HydrophobicContact CD1-CB 4.39Å; E1045-M1047 HydrophobicContact CG-SD 4.29Å; E1045-M1047 PolarHBondContact O-N 3.18Å; E1045-K1115 VanDerWaalsContact OE1-CD 3.25Å; E1045-K1115 WeakPolarHBondContact OE1-CD 3.31Å; E1045-K1115 IonicContact OE1-NZ 3.28Å; E1045-K1115 PolarHBondContact OE1-NZ 2.82Å; E1045-K1115 IonicContact OE2-NZ 3.09Å; E1045-K1115 PolarHBondContact OE2-NZ 3.4Å |
| 1046 | L | 92.9 | Very high | 86.4 | Confident | 55 Ų | 55 | 43.4 Ų | 43.4 | 29% | 0.288 | 24% | 0.24 | S | C | . | . | trans | -81.8 | 108.9 | -178.2 | -176.9 | 60.1 | 0 | 0 | 0 | 112.3 | A993 A995 L1048 | A993-L1046 HydrophobicContact CB-CD2 4.04Å; A993-L1046 WeakPolarHBondContact O-CB 3.43Å; A995-L1046 HydrophobicContact CB-CD1 4.25Å; L1046-L1048 PolarHBondContact O-N 2.79Å | ||
| 1047 | M | 94 | Very high | 88.1 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | trans | -84.2 | 91.5 | 175.8 | -61.2 | -61.6 | -70.8 | 0 | 0 | 110.5 | V1027 E1045 L1049 G1050 L1107 V1108 A1109 K1115 | V1027-M1047 HydrophobicContact CG2-CG 4.32Å; E1045-M1047 HydrophobicContact CG-SD 4.29Å; E1045-M1047 PolarHBondContact O-N 3.18Å; M1047-L1049 VanDerWaalsContact C-N 3.29Å; M1047-L1049 PolarHBondContact O-N 2.81Å; M1047-G1050 PolarHBondContact O-N 3.42Å; M1047-L1107 HydrophobicContact CB-CB 3.66Å; M1047-L1107 HydrophobicContact CB-CD1 4.02Å; M1047-L1107 HydrophobicContact CB-CG 4.46Å; M1047-L1107 VanDerWaalsContact CE-C 3.42Å; M1047-L1107 HydrophobicContact CE-CB 3.85Å; M1047-L1107 WeakPolarHBondContact CE-O 3.34Å; M1047-L1107 HydrophobicContact CG-CB 3.64Å; M1047-L1107 HydrophobicContact CG-CD1 3.8Å; M1047-L1107 HydrophobicContact CG-CG 4.39Å; M1047-V1108 CarbonylContact C-O 3.53Å; M1047-A1109 HydrophobicContact CE-CB 3.74Å; M1047-A1109 VanDerWaalsContact CE-N 3.33Å; M1047-A1109 HydrophobicContact SD-CB 4.11Å; M1047-K1115 HydrophobicContact CE-CB 3.79Å; M1047-K1115 HydrophobicContact CE-CD 3.83Å; M1047-K1115 HydrophobicContact CE-CG 3.55Å; M1047-K1115 HydrophobicContact SD-CD 3.8Å; M1047-K1115 HydrophobicContact SD-CG 4.22Å | ||
| 1048 | L | 89.4 | Confident | 89.6 | Confident | 88 Ų | 88 | 35.1 Ų | 35.1 | 46% | 0.461 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -31.7 | -163.7 | -167.7 | 70.7 | 0 | 0 | 0 | 115.1 | L1046 A1110 | L1046-L1048 PolarHBondContact O-N 2.79Å; L1048-A1110 HydrophobicContact CB-CB 4.05Å; L1048-A1110 HydrophobicContact CD2-CB 3.69Å |
| 1049 | L | 90.5 | Very high | 91.1 | Very high | 61 Ų | 61 | 34.7 Ų | 34.7 | 32% | 0.319 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 10.1 | -173.6 | -55.1 | -175.5 | 0 | 0 | 0 | 113.6 | M1047 Y1055 V1108 A1109 R1112 | M1047-L1049 VanDerWaalsContact C-N 3.29Å; M1047-L1049 PolarHBondContact O-N 2.81Å; L1049-Y1055 HydrophobicContact CB-CD2 4.1Å; L1049-Y1055 HydrophobicContact CB-CE2 4.48Å; L1049-Y1055 HydrophobicContact CD1-CD2 4.42Å; L1049-Y1055 HydrophobicContact CD1-CE2 3.97Å; L1049-V1108 HydrophobicContact CB-CB 4.03Å; L1049-V1108 HydrophobicContact CB-CG1 4.14Å; L1049-V1108 HydrophobicContact CD1-CG1 4.25Å; L1049-V1108 PolarHBondContact N-O 2.87Å; L1049-A1109 VanDerWaalsContact CD1-O 3.3Å; L1049-A1109 WeakPolarHBondContact CD1-O 3.45Å; L1049-R1112 HydrophobicContact CD1-CG 4.13Å |
| 1050 | G | 90.9 | Very high | 91.7 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 32% | 0.32 | 19% | 0.189 | S | C | . | . | trans | 80.6 | -157.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M1047 L1107 V1108 | M1047-G1050 PolarHBondContact O-N 3.42Å; G1050-L1107 CarbonylContact O-C 3.58Å; G1050-L1107 WeakPolarHBondContact O-CA 3.48Å; G1050-V1108 PolarHBondContact O-N 2.98Å | ||
| 1051 | D | 93.2 | Very high | 91.4 | Very high | 38 Ų | 38 | 38.9 Ų | 38.9 | 20% | 0.203 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -81 | 153.2 | 172.9 | 71.8 | 95.9 | 0 | 0 | 0 | 112 | K1053 T1054 Y1055 C1106 L1107 | D1051-K1053 VanDerWaalsContact C-N 3.27Å; D1051-K1053 PolarHBondContact O-N 3.31Å; D1051-K1053 WeakPolarHBondContact OD1-CA 3.48Å; D1051-K1053 VanDerWaalsContact OD1-CB 3.24Å; D1051-K1053 WeakPolarHBondContact OD1-CB 3.19Å; D1051-K1053 PolarHBondContact OD1-N 3.05Å; D1051-K1053 VanDerWaalsContact OD1-N 3.1Å; D1051-T1054 VanDerWaalsContact CG-OG1 3.31Å; D1051-T1054 PolarHBondContact O-N 3.07Å; D1051-T1054 PolarHBondContact OD1-N 2.96Å; D1051-T1054 PolarHBondContact OD1-OG1 3.12Å; D1051-T1054 WeakPolarHBondContact OD2-CB 3.32Å; D1051-T1054 PolarHBondContact OD2-OG1 3.23Å; D1051-Y1055 WeakPolarHBondContact O-CB 3.41Å; D1051-Y1055 PolarHBondContact O-N 3.39Å; D1051-C1106 CarbonylContact C-O 3.48Å; D1051-C1106 WeakPolarHBondContact CA-O 3.39Å; D1051-L1107 HydrophobicContact CB-CD2 3.85Å |
| 1052 | L | 95.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -30.6 | -175.5 | -177.9 | 60.3 | 0 | 0 | 0 | 112.1 | Y1055 L1056 M1080 I1084 C1103 C1106 V1108 V1114 I1173 | L1052-Y1055 HydrophobicContact CD1-CD1 4.1Å; L1052-Y1055 PolarHBondContact O-N 3.2Å; L1052-L1056 HydrophobicContact CD1-CD1 4.18Å; L1052-L1056 HydrophobicContact CD1-CG 4.1Å; L1052-L1056 HydrophobicContact CG-CD1 3.96Å; L1052-L1056 HydrophobicContact CG-CG 4.37Å; L1052-L1056 WeakPolarHBondContact O-CB 3.38Å; L1052-L1056 WeakPolarHBondContact O-CD1 2.95Å; L1052-L1056 WeakPolarHBondContact O-CG 3.31Å; L1052-L1056 PolarHBondContact O-N 3.32Å; L1052-M1080 HydrophobicContact CD1-SD 4.18Å; L1052-I1084 HydrophobicContact CD2-CD1 3.76Å; L1052-C1103 HydrophobicContact CB-CB 4.42Å; L1052-C1103 PolarHBondContact N-O 2.87Å; L1052-C1106 HydrophobicContact CB-CB 4.09Å; L1052-C1106 WeakPolarHBondContact CB-O 3.28Å; L1052-C1106 HydrophobicContact CD2-CB 4.28Å; L1052-C1106 PolarHBondContact N-O 3.14Å; L1052-V1108 HydrophobicContact CB-CG2 4.05Å; L1052-V1108 HydrophobicContact CD1-CG2 3.88Å; L1052-V1114 HydrophobicContact CD2-CG1 4.39Å; L1052-I1173 HydrophobicContact CD2-CD1 4.07Å; L1052-I1173 HydrophobicContact CD2-CG1 4.14Å |
| 1053 | K | 93.7 | Very high | 90.7 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 17% | 0.165 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.3 | -47.2 | 177 | -165.7 | -174.5 | -178.8 | 94.9 | 0 | 110.7 | D1051 L1056 L1057 C1103 E1172 G1177 | D1051-K1053 VanDerWaalsContact C-N 3.27Å; D1051-K1053 PolarHBondContact O-N 3.31Å; D1051-K1053 WeakPolarHBondContact OD1-CA 3.48Å; D1051-K1053 VanDerWaalsContact OD1-CB 3.24Å; D1051-K1053 WeakPolarHBondContact OD1-CB 3.19Å; D1051-K1053 PolarHBondContact OD1-N 3.05Å; D1051-K1053 VanDerWaalsContact OD1-N 3.1Å; K1053-L1056 PolarHBondContact O-N 3.21Å; K1053-L1057 HydrophobicContact CG-CD1 4.07Å; K1053-L1057 WeakPolarHBondContact O-CB 3.34Å; K1053-L1057 VanDerWaalsContact O-CG 3.28Å; K1053-L1057 WeakPolarHBondContact O-CG 3.39Å; K1053-L1057 PolarHBondContact O-N 3.34Å; K1053-C1103 HydrophobicContact CB-CB 3.75Å; K1053-C1103 HydrophobicContact CG-CB 4.39Å; K1053-C1103 PolarHBondContact N-O 3.03Å; K1053-C1103 VanDerWaalsContact N-O 3.1Å; K1053-E1172 IonicContact NZ-OE1 2.67Å; K1053-E1172 PolarHBondContact NZ-OE1 2.96Å; K1053-G1177 WeakPolarHBondContact CE-O 3.2Å; K1053-G1177 PolarHBondContact NZ-O 3.19Å; K1053-G1177 VanDerWaalsContact NZ-O 3.14Å |
| 1054 | T | 90.9 | Very high | 90.2 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 49% | 0.491 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.8 | -41 | 174.3 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | D1051 L1056 L1057 S1058 | D1051-T1054 VanDerWaalsContact CG-OG1 3.31Å; D1051-T1054 PolarHBondContact O-N 3.07Å; D1051-T1054 PolarHBondContact OD1-N 2.96Å; D1051-T1054 PolarHBondContact OD1-OG1 3.12Å; D1051-T1054 WeakPolarHBondContact OD2-CB 3.32Å; D1051-T1054 PolarHBondContact OD2-OG1 3.23Å; T1054-L1056 VanDerWaalsContact C-N 3.33Å; T1054-L1056 PolarHBondContact O-N 3.12Å; T1054-L1057 PolarHBondContact O-N 3.43Å; T1054-S1058 WeakPolarHBondContact O-CB 3.2Å; T1054-S1058 PolarHBondContact O-N 3.28Å; T1054-S1058 PolarHBondContact O-OG 3.31Å |
| 1055 | Y | 94 | Very high | 89.7 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57 | -42.9 | 175.4 | 177.7 | -79.8 | 0 | 0 | 0 | 112.4 | L1049 D1051 L1052 S1058 R1059 D1071 M1080 V1108 | L1049-Y1055 HydrophobicContact CB-CD2 4.1Å; L1049-Y1055 HydrophobicContact CB-CE2 4.48Å; L1049-Y1055 HydrophobicContact CD1-CD2 4.42Å; L1049-Y1055 HydrophobicContact CD1-CE2 3.97Å; D1051-Y1055 WeakPolarHBondContact O-CB 3.41Å; D1051-Y1055 PolarHBondContact O-N 3.39Å; L1052-Y1055 HydrophobicContact CD1-CD1 4.1Å; L1052-Y1055 PolarHBondContact O-N 3.2Å; Y1055-S1058 PolarHBondContact O-OG 3.45Å; Y1055-R1059 VanDerWaalsContact CE2-NH1 3.34Å; Y1055-R1059 VanDerWaalsContact CZ-CZ 3.41Å; Y1055-R1059 WeakPolarHBondContact O-CD 3.36Å; Y1055-R1059 WeakPolarHBondContact O-CG 3.42Å; Y1055-R1059 PolarHBondContact O-NH1 2.95Å; Y1055-D1071 WeakPolarHBondContact OH-CB 3.39Å; Y1055-D1071 PolarHBondContact OH-O 3.02Å; Y1055-D1071 VanDerWaalsContact OH-O 3.1Å; Y1055-M1080 HydrophobicContact CD1-CE 4.46Å; Y1055-M1080 HydrophobicContact CE1-CE 3.58Å; Y1055-M1080 HydrophobicContact CE1-SD 4.14Å; Y1055-M1080 HydrophobicContact CE2-CE 4.47Å; Y1055-M1080 WeakPolarHBondContact OH-CE 3.34Å; Y1055-V1108 HydrophobicContact CD2-CB 4.13Å; Y1055-V1108 HydrophobicContact CD2-CG1 3.87Å; Y1055-V1108 HydrophobicContact CD2-CG2 4.13Å; Y1055-V1108 HydrophobicContact CE2-CG1 3.93Å; Y1055-V1108 HydrophobicContact CG-CG2 4.09Å |
| 1056 | L | 93.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -74 | -47.6 | 178.2 | -71.9 | 165.5 | 0 | 0 | 0 | 112.1 | L1052 K1053 T1054 S1058 R1059 R1060 L1077 I1173 F1176 | L1052-L1056 HydrophobicContact CD1-CD1 4.18Å; L1052-L1056 HydrophobicContact CD1-CG 4.1Å; L1052-L1056 HydrophobicContact CG-CD1 3.96Å; L1052-L1056 HydrophobicContact CG-CG 4.37Å; L1052-L1056 WeakPolarHBondContact O-CB 3.38Å; L1052-L1056 WeakPolarHBondContact O-CD1 2.95Å; L1052-L1056 WeakPolarHBondContact O-CG 3.31Å; L1052-L1056 PolarHBondContact O-N 3.32Å; K1053-L1056 PolarHBondContact O-N 3.21Å; T1054-L1056 VanDerWaalsContact C-N 3.33Å; T1054-L1056 PolarHBondContact O-N 3.12Å; L1056-S1058 VanDerWaalsContact C-N 3.31Å; L1056-S1058 PolarHBondContact O-N 3.05Å; L1056-R1059 CarbonylContact O-C 3.55Å; L1056-R1059 WeakPolarHBondContact O-CA 3.32Å; L1056-R1059 PolarHBondContact O-N 3.04Å; L1056-R1060 PolarHBondContact O-N 3.45Å; L1056-L1077 HydrophobicContact CD2-CD2 3.95Å; L1056-I1173 HydrophobicContact CD1-CB 4.42Å; L1056-I1173 HydrophobicContact CD1-CG1 4.18Å; L1056-F1176 HydrophobicContact CB-CD1 4.39Å; L1056-F1176 HydrophobicContact CD2-CD1 4.26Å; L1056-F1176 HydrophobicContact CD2-CD2 4.39Å; L1056-F1176 HydrophobicContact CD2-CE1 4.1Å; L1056-F1176 HydrophobicContact CD2-CE2 4.22Å; L1056-F1176 HydrophobicContact CD2-CG 4.38Å; L1056-F1176 HydrophobicContact CD2-CZ 4.07Å; L1056-F1176 WeakPolarHBondContact O-CD1 3.43Å |
| 1057 | L | 89.9 | Confident | 88.4 | Confident | 70 Ų | 70 | 54.3 Ų | 54.3 | 37% | 0.366 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.6 | -43.9 | -179.6 | -76.7 | 167.9 | 0 | 0 | 0 | 111.8 | K1053 T1054 R1059 R1060 F1176 P1255 | K1053-L1057 HydrophobicContact CG-CD1 4.07Å; K1053-L1057 WeakPolarHBondContact O-CB 3.34Å; K1053-L1057 VanDerWaalsContact O-CG 3.28Å; K1053-L1057 WeakPolarHBondContact O-CG 3.39Å; K1053-L1057 PolarHBondContact O-N 3.34Å; T1054-L1057 PolarHBondContact O-N 3.43Å; L1057-R1059 PolarHBondContact O-N 2.95Å; L1057-R1059 VanDerWaalsContact O-N 3.14Å; L1057-R1060 PolarHBondContact O-N 2.87Å; L1057-F1176 WeakPolarHBondContact CD2-O 3.04Å; L1057-P1255 HydrophobicContact CD2-CG 4.2Å |
| 1058 | S | 88.9 | Confident | 87.8 | Confident | 85 Ų | 85 | 60 Ų | 60 | 59% | 0.594 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.4 | 175.8 | 59.9 | 0 | 0 | 0 | 0 | 114.2 | T1054 Y1055 L1056 | T1054-S1058 WeakPolarHBondContact O-CB 3.2Å; T1054-S1058 PolarHBondContact O-N 3.28Å; T1054-S1058 PolarHBondContact O-OG 3.31Å; Y1055-S1058 PolarHBondContact O-OG 3.45Å; L1056-S1058 VanDerWaalsContact C-N 3.31Å; L1056-S1058 PolarHBondContact O-N 3.05Å |
| 1059 | R | 91.2 | Very high | 87.8 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 3.8 | -178.8 | -68.9 | 174.8 | 172.7 | 77.2 | -3.3 | 114.4 | Y1055 L1056 L1057 I1061 L1062 A1063 D1071 I1072 F1176 | Y1055-R1059 VanDerWaalsContact CE2-NH1 3.34Å; Y1055-R1059 VanDerWaalsContact CZ-CZ 3.41Å; Y1055-R1059 WeakPolarHBondContact O-CD 3.36Å; Y1055-R1059 WeakPolarHBondContact O-CG 3.42Å; Y1055-R1059 PolarHBondContact O-NH1 2.95Å; L1056-R1059 CarbonylContact O-C 3.55Å; L1056-R1059 WeakPolarHBondContact O-CA 3.32Å; L1056-R1059 PolarHBondContact O-N 3.04Å; L1057-R1059 PolarHBondContact O-N 2.95Å; L1057-R1059 VanDerWaalsContact O-N 3.14Å; R1059-I1061 VanDerWaalsContact C-N 3.3Å; R1059-I1061 PolarHBondContact O-N 3.32Å; R1059-L1062 HydrophobicContact CB-CB 4.41Å; R1059-L1062 HydrophobicContact CG-CD2 4.29Å; R1059-L1062 WeakPolarHBondContact O-CA 3.28Å; R1059-L1062 VanDerWaalsContact O-CB 3.31Å; R1059-L1062 WeakPolarHBondContact O-CB 3.4Å; R1059-L1062 PolarHBondContact O-N 2.8Å; R1059-A1063 PolarHBondContact O-N 3.28Å; R1059-D1071 IonicContact CZ-OD2 2.75Å; R1059-D1071 IonicContact NE-OD2 2.62Å; R1059-D1071 PolarHBondContact NE-OD2 2.87Å; R1059-D1071 IonicContact NH2-OD2 2.7Å; R1059-D1071 PolarHBondContact NH2-OD2 3.02Å; R1059-I1072 HydrophobicContact CB-CG2 3.92Å; R1059-I1072 HydrophobicContact CG-CG2 4.42Å; R1059-F1176 HydrophobicContact CB-CE1 4.23Å |
| 1060 | R | 86.4 | Confident | 87.8 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 5% | 0.045 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.3 | -42.2 | 178.9 | -165.6 | -178 | -178.4 | 94.7 | -0.5 | 112.8 | L1056 L1057 L1062 A1063 Q1064 T1175 F1176 L1250 T1251 D1253 P1255 | L1056-R1060 PolarHBondContact O-N 3.45Å; L1057-R1060 PolarHBondContact O-N 2.87Å; R1060-L1062 VanDerWaalsContact C-N 3.34Å; R1060-A1063 PolarHBondContact O-N 2.85Å; R1060-Q1064 PolarHBondContact O-N 2.84Å; R1060-Q1064 VanDerWaalsContact O-N 3.15Å; R1060-T1175 PolarHBondContact NH1-O 3.5Å; R1060-F1176 HydrophobicContact CG-CB 4.36Å; R1060-L1250 HydrophobicContact CG-CD1 4.29Å; R1060-L1250 HydrophobicContact CG-CD2 4.06Å; R1060-T1251 PolarHBondContact NH2-O 2.99Å; R1060-T1251 VanDerWaalsContact NH2-O 3.09Å; R1060-T1251 PolarHBondContact NH2-OG1 3.09Å; R1060-D1253 PolarHBondContact NH2-O 3.44Å; R1060-P1255 VanDerWaalsContact CZ-CD 3.44Å |
| 1061 | I | 81.9 | Confident | 87.5 | Confident | 99 Ų | 99 | 60.2 Ų | 60.2 | 51% | 0.508 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.3 | -35.2 | 176.4 | -60 | 174.6 | 0 | 0 | 0 | 111.5 | R1059 A1063 Q1064 R1065 | R1059-I1061 VanDerWaalsContact C-N 3.3Å; R1059-I1061 PolarHBondContact O-N 3.32Å; I1061-A1063 VanDerWaalsContact C-N 3.35Å; I1061-Q1064 PolarHBondContact O-N 2.82Å; I1061-R1065 HydrophobicContact CG2-CG 4.5Å; I1061-R1065 WeakPolarHBondContact O-CG 3.42Å; I1061-R1065 PolarHBondContact O-N 2.91Å; I1061-R1065 VanDerWaalsContact O-N 3.09Å |
| 1062 | L | 84.7 | Confident | 87.3 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 176.7 | -172.7 | 62.4 | 0 | 0 | 0 | 110.7 | R1059 R1060 Q1064 R1065 S1066 H1069 I1072 | R1059-L1062 HydrophobicContact CB-CB 4.41Å; R1059-L1062 HydrophobicContact CG-CD2 4.29Å; R1059-L1062 WeakPolarHBondContact O-CA 3.28Å; R1059-L1062 VanDerWaalsContact O-CB 3.31Å; R1059-L1062 WeakPolarHBondContact O-CB 3.4Å; R1059-L1062 PolarHBondContact O-N 2.8Å; R1060-L1062 VanDerWaalsContact C-N 3.34Å; L1062-Q1064 VanDerWaalsContact C-N 3.35Å; L1062-Q1064 PolarHBondContact O-N 2.75Å; L1062-R1065 PolarHBondContact O-N 2.72Å; L1062-S1066 CarbonylContact O-C 3.53Å; L1062-S1066 WeakPolarHBondContact O-CA 3.42Å; L1062-S1066 PolarHBondContact O-N 3.09Å; L1062-H1069 HydrophobicContact CD1-CB 4.31Å; L1062-H1069 HydrophobicContact CD2-CB 4.41Å; L1062-H1069 HydrophobicContact CG-CB 4.21Å; L1062-I1072 HydrophobicContact CB-CD1 4.23Å; L1062-I1072 HydrophobicContact CD2-CD1 4.35Å; L1062-I1072 HydrophobicContact CG-CD1 3.89Å |
| 1063 | A | 83 | Confident | 87.2 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 5% | 0.05 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.1 | -29.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1059 R1060 I1061 I1072 F1176 P1248 L1250 | R1059-A1063 PolarHBondContact O-N 3.28Å; R1060-A1063 PolarHBondContact O-N 2.85Å; I1061-A1063 VanDerWaalsContact C-N 3.35Å; A1063-I1072 HydrophobicContact CB-CD1 3.69Å; A1063-F1176 HydrophobicContact CB-CD1 4.22Å; A1063-F1176 HydrophobicContact CB-CE1 3.7Å; A1063-F1176 HydrophobicContact CB-CZ 3.91Å; A1063-P1248 HydrophobicContact CB-CB 3.89Å; A1063-P1248 HydrophobicContact CB-CG 3.93Å; A1063-L1250 HydrophobicContact CB-CD1 3.89Å |
| 1064 | Q | 81.7 | Confident | 87.1 | Confident | 104 Ų | 104 | 62.5 Ų | 62.5 | 49% | 0.486 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.9 | -41 | 170.1 | -68.2 | 174 | -39.8 | 0 | 0 | 112.5 | R1060 I1061 L1062 L1250 | R1060-Q1064 PolarHBondContact O-N 2.84Å; R1060-Q1064 VanDerWaalsContact O-N 3.15Å; I1061-Q1064 PolarHBondContact O-N 2.82Å; L1062-Q1064 VanDerWaalsContact C-N 3.35Å; L1062-Q1064 PolarHBondContact O-N 2.75Å; Q1064-L1250 HydrophobicContact CG-CD1 3.47Å; Q1064-L1250 VanDerWaalsContact CG-CD1 3.47Å |
| 1065 | R | 83.9 | Confident | 87.3 | Confident | 200 Ų | 200 | 61.1 Ų | 61.1 | 76% | 0.755 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -88.9 | -27.5 | -172.8 | -67.6 | 179 | -178.4 | 179.9 | 1.2 | 114.5 | I1061 L1062 | I1061-R1065 HydrophobicContact CG2-CG 4.5Å; I1061-R1065 WeakPolarHBondContact O-CG 3.42Å; I1061-R1065 PolarHBondContact O-N 2.91Å; I1061-R1065 VanDerWaalsContact O-N 3.09Å; L1062-R1065 PolarHBondContact O-N 2.72Å |
| 1066 | S | 83.8 | Confident | 87.3 | Confident | 56 Ų | 56 | 62 Ų | 62 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | trans | -156.4 | 66.5 | -170.5 | -61.7 | 0 | 0 | 0 | 0 | 110.4 | L1062 N1068 H1069 | L1062-S1066 CarbonylContact O-C 3.53Å; L1062-S1066 WeakPolarHBondContact O-CA 3.42Å; L1062-S1066 PolarHBondContact O-N 3.09Å; S1066-N1068 PolarHBondContact O-N 2.84Å; S1066-H1069 WeakPolarHBondContact O-CB 3.48Å; S1066-H1069 PolarHBondContact O-N 2.84Å | ||
| 1067 | P | 76.1 | Confident | 87.4 | Confident | 61 Ų | 61 | 62 Ų | 62 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.9 | -176.7 | 23 | -34.1 | 0 | 0 | 0 | 114.7 | ||
| 1068 | N | 81.3 | Confident | 87.8 | Confident | 135 Ų | 135 | 58.8 Ų | 58.8 | 72% | 0.722 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 5 | 174.9 | -65.1 | -12 | 0 | 0 | 0 | 113.9 | S1066 | S1066-N1068 PolarHBondContact O-N 2.84Š|
| 1069 | H | 89.2 | Confident | 88.1 | Confident | 74 Ų | 74 | 58.9 Ų | 58.9 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -63.2 | 143.4 | 178.7 | -176.4 | -79.9 | 0 | 0 | 0 | 111.5 | L1062 S1066 D1071 I1072 R1073 | L1062-H1069 HydrophobicContact CD1-CB 4.31Å; L1062-H1069 HydrophobicContact CD2-CB 4.41Å; L1062-H1069 HydrophobicContact CG-CB 4.21Å; S1066-H1069 WeakPolarHBondContact O-CB 3.48Å; S1066-H1069 PolarHBondContact O-N 2.84Å; H1069-D1071 VanDerWaalsContact C-N 3.29Å; H1069-D1071 PolarHBondContact ND1-N 3.03Å; H1069-D1071 PolarHBondContact O-N 3.03Å; H1069-D1071 VanDerWaalsContact O-N 3.13Å; H1069-I1072 HydrophobicContact CB-CD1 4.21Å; H1069-I1072 HydrophobicContact CB-CG1 3.91Å; H1069-I1072 WeakPolarHBondContact O-CG1 3.47Å; H1069-I1072 PolarHBondContact O-N 3.27Å; H1069-R1073 PolarHBondContact O-N 2.77Å |
| 1070 | E | 89 | Confident | 88.4 | Confident | 89 Ų | 89 | 57 Ų | 57 | 42% | 0.416 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -33.3 | -166.9 | 57.5 | 164.1 | -144.2 | 0 | 0 | 115.3 | I1072 T1076 R1112 | E1070-I1072 PolarHBondContact O-N 3.43Å; E1070-T1076 WeakPolarHBondContact O-CB 3.37Å; E1070-T1076 WeakPolarHBondContact O-CG2 3.16Å; E1070-T1076 PolarHBondContact O-OG1 2.98Å; E1070-R1112 IonicContact OE1-CZ 3.12Å; E1070-R1112 IonicContact OE1-NH1 3.97Å; E1070-R1112 PolarHBondContact OE1-NH1 3.48Å; E1070-R1112 IonicContact OE1-NH2 2.68Å; E1070-R1112 PolarHBondContact OE1-NH2 3.44Å; E1070-R1112 VanDerWaalsContact OE1-NH2 3.12Å; E1070-R1112 IonicContact OE2-NH2 3.74Å |
| 1071 | D | 85.2 | Confident | 89 | Confident | 22 Ų | 22 | 56.4 Ų | 56.4 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.5 | 175.6 | -83.9 | 10.6 | 0 | 0 | 0 | 115.6 | Y1055 R1059 H1069 R1112 | Y1055-D1071 WeakPolarHBondContact OH-CB 3.39Å; Y1055-D1071 PolarHBondContact OH-O 3.02Å; Y1055-D1071 VanDerWaalsContact OH-O 3.1Å; R1059-D1071 IonicContact CZ-OD2 2.75Å; R1059-D1071 IonicContact NE-OD2 2.62Å; R1059-D1071 PolarHBondContact NE-OD2 2.87Å; R1059-D1071 IonicContact NH2-OD2 2.7Å; R1059-D1071 PolarHBondContact NH2-OD2 3.02Å; H1069-D1071 VanDerWaalsContact C-N 3.29Å; H1069-D1071 PolarHBondContact ND1-N 3.03Å; H1069-D1071 PolarHBondContact O-N 3.03Å; H1069-D1071 VanDerWaalsContact O-N 3.13Å; D1071-R1112 WeakPolarHBondContact OD1-CD 3.34Å; D1071-R1112 IonicContact OD1-CZ 2.69Å; D1071-R1112 IonicContact OD1-NE 3.38Å; D1071-R1112 IonicContact OD1-NH1 3.94Å; D1071-R1112 PolarHBondContact OD1-NH1 3.11Å |
| 1072 | I | 90.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -146 | -3 | -163.5 | 54.7 | 159.8 | 0 | 0 | 0 | 115.5 | R1059 L1062 A1063 H1069 E1070 L1077 F1176 | R1059-I1072 HydrophobicContact CB-CG2 3.92Å; R1059-I1072 HydrophobicContact CG-CG2 4.42Å; L1062-I1072 HydrophobicContact CB-CD1 4.23Å; L1062-I1072 HydrophobicContact CD2-CD1 4.35Å; L1062-I1072 HydrophobicContact CG-CD1 3.89Å; A1063-I1072 HydrophobicContact CB-CD1 3.69Å; H1069-I1072 HydrophobicContact CB-CD1 4.21Å; H1069-I1072 HydrophobicContact CB-CG1 3.91Å; H1069-I1072 WeakPolarHBondContact O-CG1 3.47Å; H1069-I1072 PolarHBondContact O-N 3.27Å; E1070-I1072 PolarHBondContact O-N 3.43Å; I1072-L1077 VanDerWaalsContact O-CD1 3.24Å; I1072-L1077 WeakPolarHBondContact O-CD1 3.39Å; I1072-L1077 WeakPolarHBondContact O-CG 3.43Å; I1072-F1176 HydrophobicContact CB-CE1 4.46Å; I1072-F1176 HydrophobicContact CB-CZ 4.09Å; I1072-F1176 HydrophobicContact CG2-CE1 3.83Å; I1072-F1176 HydrophobicContact CG2-CZ 3.88Å |
| 1073 | R | 91.9 | Very high | 90.4 | Very high | 102 Ų | 102 | 50.9 Ų | 50.9 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -57.2 | 156.3 | 173.6 | 59.1 | 177.1 | 160.4 | -158.8 | -13 | 111.1 | H1069 S1075 T1076 L1077 | H1069-R1073 PolarHBondContact O-N 2.77Å; R1073-S1075 PolarHBondContact O-N 3.34Å; R1073-T1076 WeakPolarHBondContact CG-OG1 3.39Å; R1073-T1076 PolarHBondContact NE-OG1 3.27Å; R1073-T1076 WeakPolarHBondContact O-CA 3.44Å; R1073-T1076 WeakPolarHBondContact O-CB 3.21Å; R1073-T1076 PolarHBondContact O-N 2.93Å; R1073-L1077 PolarHBondContact O-N 3.36Å; R1073-L1077 VanDerWaalsContact O-N 3.12Å |
| 1074 | P | 93.2 | Very high | 91.1 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 15% | 0.149 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.4 | -41.9 | -170.1 | -27.9 | 36.5 | 0 | 0 | 0 | 114.8 | T1076 L1077 T1078 D1244 I1246 R1247 | P1074-T1076 VanDerWaalsContact C-N 3.33Å; P1074-T1076 PolarHBondContact O-N 2.86Å; P1074-L1077 PolarHBondContact O-N 2.92Å; P1074-T1078 WeakPolarHBondContact O-CB 3.34Å; P1074-T1078 PolarHBondContact O-N 3.43Å; P1074-T1078 PolarHBondContact O-OG1 3.14Å; P1074-D1244 HydrophobicContact CB-CB 3.81Å; P1074-I1246 CarbonylContact C-O 3.53Å; P1074-I1246 WeakPolarHBondContact CA-O 3.28Å; P1074-I1246 VanDerWaalsContact CB-O 3.28Å; P1074-I1246 WeakPolarHBondContact CB-O 3.29Å; P1074-R1247 HydrophobicContact CB-CB 4.19Å; P1074-R1247 HydrophobicContact CG-CB 3.94Å |
| 1075 | S | 94 | Very high | 91.9 | Very high | 50 Ų | 50 | 45.6 Ų | 45.6 | 35% | 0.35 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.2 | -38.9 | 170.6 | 35.2 | 0 | 0 | 0 | 0 | 114.8 | R1073 Q1079 P1243 D1244 | R1073-S1075 PolarHBondContact O-N 3.34Å; S1075-Q1079 WeakPolarHBondContact O-CB 3.4Å; S1075-Q1079 PolarHBondContact O-N 2.53Å; S1075-P1243 VanDerWaalsContact CA-O 3.29Å; S1075-P1243 WeakPolarHBondContact CA-O 3.09Å; S1075-D1244 WeakPolarHBondContact CB-OD1 3.38Å; S1075-D1244 PolarHBondContact N-OD1 3.36Å; S1075-D1244 PolarHBondContact OG-OD1 2.89Å |
| 1076 | T | 94.5 | Very high | 92.6 | Very high | 22 Ų | 22 | 39 Ų | 39 | 14% | 0.135 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.5 | -45.3 | 176 | -56 | 0 | 0 | 0 | 0 | 111.3 | E1070 R1073 P1074 T1078 Q1079 M1080 | E1070-T1076 WeakPolarHBondContact O-CB 3.37Å; E1070-T1076 WeakPolarHBondContact O-CG2 3.16Å; E1070-T1076 PolarHBondContact O-OG1 2.98Å; R1073-T1076 WeakPolarHBondContact CG-OG1 3.39Å; R1073-T1076 PolarHBondContact NE-OG1 3.27Å; R1073-T1076 WeakPolarHBondContact O-CA 3.44Å; R1073-T1076 WeakPolarHBondContact O-CB 3.21Å; R1073-T1076 PolarHBondContact O-N 2.93Å; P1074-T1076 VanDerWaalsContact C-N 3.33Å; P1074-T1076 PolarHBondContact O-N 2.86Å; T1076-T1078 VanDerWaalsContact C-N 3.33Å; T1076-T1078 PolarHBondContact O-N 3Å; T1076-Q1079 PolarHBondContact O-N 3.16Å; T1076-M1080 HydrophobicContact CG2-CE 3.7Å; T1076-M1080 HydrophobicContact CG2-SD 4.26Å; T1076-M1080 VanDerWaalsContact O-CG 3.25Å; T1076-M1080 WeakPolarHBondContact O-CG 3.48Å; T1076-M1080 PolarHBondContact O-N 2.84Å |
| 1077 | L | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.8 | -32.4 | 178.8 | -62.2 | 176.5 | 0 | 0 | 0 | 112.6 | L1056 I1072 R1073 P1074 M1080 S1081 I1173 F1176 I1246 P1248 | L1056-L1077 HydrophobicContact CD2-CD2 3.95Å; I1072-L1077 VanDerWaalsContact O-CD1 3.24Å; I1072-L1077 WeakPolarHBondContact O-CD1 3.39Å; I1072-L1077 WeakPolarHBondContact O-CG 3.43Å; R1073-L1077 PolarHBondContact O-N 3.36Å; R1073-L1077 VanDerWaalsContact O-N 3.12Å; P1074-L1077 PolarHBondContact O-N 2.92Å; L1077-M1080 HydrophobicContact CD2-SD 4.2Å; L1077-S1081 PolarHBondContact O-N 3.5Å; L1077-S1081 PolarHBondContact O-OG 3.15Å; L1077-I1173 HydrophobicContact CB-CG2 4.44Å; L1077-I1173 HydrophobicContact CD2-CG2 4.42Å; L1077-F1176 HydrophobicContact CD1-CE2 3.83Å; L1077-F1176 HydrophobicContact CD1-CZ 4.04Å; L1077-F1176 HydrophobicContact CD2-CE2 4.49Å; L1077-F1176 HydrophobicContact CD2-CZ 4.29Å; L1077-I1246 HydrophobicContact CB-CB 4.29Å; L1077-I1246 HydrophobicContact CB-CG2 3.73Å; L1077-P1248 HydrophobicContact CD1-CG 4.09Å |
| 1078 | T | 97 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.1 | -43.6 | 174.3 | -51.6 | 0 | 0 | 0 | 0 | 110.4 | P1074 T1076 S1081 M1082 L1239 P1243 I1246 | P1074-T1078 WeakPolarHBondContact O-CB 3.34Å; P1074-T1078 PolarHBondContact O-N 3.43Å; P1074-T1078 PolarHBondContact O-OG1 3.14Å; T1076-T1078 VanDerWaalsContact C-N 3.33Å; T1076-T1078 PolarHBondContact O-N 3Å; T1078-S1081 WeakPolarHBondContact O-CB 3.4Å; T1078-S1081 PolarHBondContact O-N 2.97Å; T1078-S1081 VanDerWaalsContact O-N 3.11Å; T1078-M1082 HydrophobicContact CG2-SD 4.42Å; T1078-M1082 WeakPolarHBondContact O-CG 3.22Å; T1078-M1082 PolarHBondContact O-N 3.38Å; T1078-L1239 HydrophobicContact CG2-CB 4.35Å; T1078-L1239 HydrophobicContact CG2-CD2 4.24Å; T1078-P1243 WeakPolarHBondContact CB-O 3.41Å; T1078-P1243 PolarHBondContact OG1-O 3.05Å; T1078-P1243 VanDerWaalsContact OG1-O 3.11Å; T1078-I1246 WeakPolarHBondContact OG1-CB 3.29Å; T1078-I1246 PolarHBondContact OG1-N 3.22Å |
| 1079 | Q | 96.8 | Very high | 95 | Very high | 87 Ų | 87 | 28 Ų | 28 | 41% | 0.407 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -60 | -46.2 | 172.8 | -176.3 | 61.1 | 54.4 | 0 | 0 | 112.1 | S1075 T1076 S1081 M1082 D1083 | S1075-Q1079 WeakPolarHBondContact O-CB 3.4Å; S1075-Q1079 PolarHBondContact O-N 2.53Å; T1076-Q1079 PolarHBondContact O-N 3.16Å; Q1079-S1081 PolarHBondContact O-N 3.16Å; Q1079-S1081 VanDerWaalsContact O-N 3.13Å; Q1079-M1082 WeakPolarHBondContact O-CB 3.46Å; Q1079-M1082 PolarHBondContact O-N 3.06Å; Q1079-M1082 VanDerWaalsContact O-N 3.09Å; Q1079-D1083 PolarHBondContact NE2-OD1 3.1Å; Q1079-D1083 WeakPolarHBondContact O-CB 3.43Å; Q1079-D1083 VanDerWaalsContact O-CG 3.3Å; Q1079-D1083 PolarHBondContact O-N 3.11Å |
| 1080 | M | 97.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.015 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.6 | -29.4 | 175 | -73.5 | 174.2 | 174 | 0 | 0 | 113.1 | L1052 Y1055 T1076 L1077 I1084 R1112 V1114 | L1052-M1080 HydrophobicContact CD1-SD 4.18Å; Y1055-M1080 HydrophobicContact CD1-CE 4.46Å; Y1055-M1080 HydrophobicContact CE1-CE 3.58Å; Y1055-M1080 HydrophobicContact CE1-SD 4.14Å; Y1055-M1080 HydrophobicContact CE2-CE 4.47Å; Y1055-M1080 WeakPolarHBondContact OH-CE 3.34Å; T1076-M1080 HydrophobicContact CG2-CE 3.7Å; T1076-M1080 HydrophobicContact CG2-SD 4.26Å; T1076-M1080 VanDerWaalsContact O-CG 3.25Å; T1076-M1080 WeakPolarHBondContact O-CG 3.48Å; T1076-M1080 PolarHBondContact O-N 2.84Å; L1077-M1080 HydrophobicContact CD2-SD 4.2Å; M1080-I1084 WeakPolarHBondContact O-CD1 3.38Å; M1080-I1084 WeakPolarHBondContact O-CG1 3.47Å; M1080-R1112 HydrophobicContact CE-CB 4.18Å; M1080-V1114 HydrophobicContact CB-CG2 3.74Å; M1080-V1114 HydrophobicContact CG-CG2 3.64Å |
| 1081 | S | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -85.4 | -34.8 | 177.5 | -53.4 | 0 | 0 | 0 | 0 | 112.3 | L1077 T1078 Q1079 D1083 I1084 G1085 I1173 I1246 | L1077-S1081 PolarHBondContact O-N 3.5Å; L1077-S1081 PolarHBondContact O-OG 3.15Å; T1078-S1081 WeakPolarHBondContact O-CB 3.4Å; T1078-S1081 PolarHBondContact O-N 2.97Å; T1078-S1081 VanDerWaalsContact O-N 3.11Å; Q1079-S1081 PolarHBondContact O-N 3.16Å; Q1079-S1081 VanDerWaalsContact O-N 3.13Å; S1081-D1083 VanDerWaalsContact C-N 3.34Å; S1081-I1084 PolarHBondContact O-N 3.38Å; S1081-G1085 PolarHBondContact O-N 2.99Å; S1081-I1173 WeakPolarHBondContact OG-CD1 3.15Å; S1081-I1246 WeakPolarHBondContact OG-CD1 3.28Å |
| 1082 | M | 97.9 | Very high | 96.1 | Very high | 25 Ų | 25 | 21.7 Ų | 21.7 | 12% | 0.123 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 170 | -74 | 172.8 | 51.5 | 0 | 0 | 111.2 | T1078 Q1079 I1084 G1085 Q1086 L1236 L1239 I1240 | T1078-M1082 HydrophobicContact CG2-SD 4.42Å; T1078-M1082 WeakPolarHBondContact O-CG 3.22Å; T1078-M1082 PolarHBondContact O-N 3.38Å; Q1079-M1082 WeakPolarHBondContact O-CB 3.46Å; Q1079-M1082 PolarHBondContact O-N 3.06Å; Q1079-M1082 VanDerWaalsContact O-N 3.09Å; M1082-I1084 PolarHBondContact O-N 2.84Å; M1082-G1085 CarbonylContact O-C 3.44Å; M1082-G1085 PolarHBondContact O-N 2.9Å; M1082-G1085 VanDerWaalsContact O-N 3.15Å; M1082-Q1086 WeakPolarHBondContact O-CB 3.45Å; M1082-Q1086 VanDerWaalsContact O-CG 3.29Å; M1082-Q1086 WeakPolarHBondContact O-CG 3.37Å; M1082-Q1086 PolarHBondContact O-N 3.14Å; M1082-L1236 HydrophobicContact CB-CD2 4.32Å; M1082-L1236 HydrophobicContact CG-CD2 4.46Å; M1082-L1236 WeakPolarHBondContact O-CD2 3.47Å; M1082-L1239 HydrophobicContact CG-CB 3.53Å; M1082-L1239 HydrophobicContact CG-CD1 3.99Å; M1082-L1239 HydrophobicContact CG-CG 4.38Å; M1082-L1239 HydrophobicContact SD-CB 4.2Å; M1082-I1240 HydrophobicContact CE-CG1 3.67Å; M1082-I1240 HydrophobicContact SD-CG1 4.29Å |
| 1083 | D | 98.2 | Very high | 96.2 | Very high | 8 Ų | 8 | 25.5 Ų | 25.5 | 4% | 0.043 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -54.2 | -51.2 | 175.1 | -77.4 | -2.3 | 0 | 0 | 0 | 111.5 | N1025 Q1079 S1081 G1085 Q1086 G1087 V1114 | N1025-D1083 WeakPolarHBondContact CB-O 3.47Å; N1025-D1083 WeakPolarHBondContact ND2-CA 3.37Å; N1025-D1083 WeakPolarHBondContact ND2-CB 3.3Å; N1025-D1083 PolarHBondContact ND2-OD1 3.35Å; Q1079-D1083 PolarHBondContact NE2-OD1 3.1Å; Q1079-D1083 WeakPolarHBondContact O-CB 3.43Å; Q1079-D1083 VanDerWaalsContact O-CG 3.3Å; Q1079-D1083 PolarHBondContact O-N 3.11Å; S1081-D1083 VanDerWaalsContact C-N 3.34Å; D1083-G1085 VanDerWaalsContact C-N 3.34Å; D1083-G1085 PolarHBondContact O-N 2.68Å; D1083-Q1086 PolarHBondContact O-N 2.91Å; D1083-G1087 PolarHBondContact O-N 2.93Å; D1083-V1114 HydrophobicContact CB-CB 3.83Å; D1083-V1114 PolarHBondContact OD2-N 3.41Å |
| 1084 | I | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62 | -43 | 176.4 | -60.8 | 164 | 0 | 0 | 0 | 110.5 | L1052 M1080 S1081 M1082 Q1086 G1087 L1088 C1106 V1114 I1116 F1166 T1169 I1173 | L1052-I1084 HydrophobicContact CD2-CD1 3.76Å; M1080-I1084 WeakPolarHBondContact O-CD1 3.38Å; M1080-I1084 WeakPolarHBondContact O-CG1 3.47Å; S1081-I1084 PolarHBondContact O-N 3.38Å; M1082-I1084 PolarHBondContact O-N 2.84Å; I1084-Q1086 PolarHBondContact O-N 3.38Å; I1084-G1087 PolarHBondContact O-N 3.33Å; I1084-L1088 HydrophobicContact CG2-CD1 4.23Å; I1084-L1088 PolarHBondContact O-N 3.4Å; I1084-C1106 HydrophobicContact CD1-CB 4.1Å; I1084-C1106 HydrophobicContact CG1-CB 4.26Å; I1084-V1114 HydrophobicContact CD1-CG1 4.11Å; I1084-V1114 HydrophobicContact CG1-CB 4.42Å; I1084-V1114 HydrophobicContact CG1-CG1 3.66Å; I1084-I1116 HydrophobicContact CG2-CD1 4.44Å; I1084-F1166 HydrophobicContact CB-CE2 3.97Å; I1084-F1166 HydrophobicContact CG2-CD2 3.79Å; I1084-F1166 HydrophobicContact CG2-CE2 3.73Å; I1084-T1169 HydrophobicContact CD1-CG2 4.28Å; I1084-I1173 HydrophobicContact CD1-CD1 4.16Å |
| 1085 | G | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | S1081 M1082 D1083 L1088 A1089 M1232 | S1081-G1085 PolarHBondContact O-N 2.99Å; M1082-G1085 CarbonylContact O-C 3.44Å; M1082-G1085 PolarHBondContact O-N 2.9Å; M1082-G1085 VanDerWaalsContact O-N 3.15Å; D1083-G1085 VanDerWaalsContact C-N 3.34Å; D1083-G1085 PolarHBondContact O-N 2.68Å; G1085-L1088 PolarHBondContact O-N 3.44Å; G1085-A1089 WeakPolarHBondContact O-CB 3.09Å; G1085-A1089 PolarHBondContact O-N 3.32Å; G1085-M1232 WeakPolarHBondContact O-CG 3.15Å |
| 1086 | Q | 98.2 | Very high | 95.9 | Very high | 62 Ų | 62 | 26.2 Ų | 26.2 | 29% | 0.29 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -68.2 | -41.5 | 176.6 | -70.4 | 174.3 | 19.3 | 0 | 0 | 111.2 | N1025 M1082 D1083 I1084 L1088 A1089 Y1090 L1236 | N1025-Q1086 PolarHBondContact OD1-OE1 3.17Å; M1082-Q1086 WeakPolarHBondContact O-CB 3.45Å; M1082-Q1086 VanDerWaalsContact O-CG 3.29Å; M1082-Q1086 WeakPolarHBondContact O-CG 3.37Å; M1082-Q1086 PolarHBondContact O-N 3.14Å; D1083-Q1086 PolarHBondContact O-N 2.91Å; I1084-Q1086 PolarHBondContact O-N 3.38Å; Q1086-L1088 VanDerWaalsContact C-N 3.33Å; Q1086-L1088 PolarHBondContact O-N 2.9Å; Q1086-A1089 PolarHBondContact O-N 3.1Å; Q1086-Y1090 WeakPolarHBondContact O-CB 3.41Å; Q1086-Y1090 PolarHBondContact O-N 2.95Å; Q1086-L1236 HydrophobicContact CG-CD1 3.95Å; Q1086-L1236 HydrophobicContact CG-CD2 3.98Å |
| 1087 | G | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.5 | -42.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1083 I1084 Y1090 L1091 | D1083-G1087 PolarHBondContact O-N 2.93Å; I1084-G1087 PolarHBondContact O-N 3.33Å; G1087-Y1090 WeakPolarHBondContact O-CB 3.42Å; G1087-Y1090 PolarHBondContact O-N 2.95Å; G1087-L1091 WeakPolarHBondContact O-CG 3.12Å; G1087-L1091 PolarHBondContact O-N 2.99Å |
| 1088 | L | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.9 | -44.3 | 176.4 | -92 | 161.2 | 0 | 0 | 0 | 112.8 | I1084 G1085 Q1086 Y1090 L1091 H1092 I1101 I1116 D1162 F1166 M1232 | I1084-L1088 HydrophobicContact CG2-CD1 4.23Å; I1084-L1088 PolarHBondContact O-N 3.4Å; G1085-L1088 PolarHBondContact O-N 3.44Å; Q1086-L1088 VanDerWaalsContact C-N 3.33Å; Q1086-L1088 PolarHBondContact O-N 2.9Å; L1088-Y1090 PolarHBondContact O-N 3.29Å; L1088-L1091 PolarHBondContact O-N 3.42Å; L1088-L1091 VanDerWaalsContact O-N 3.14Å; L1088-H1092 WeakPolarHBondContact O-CB 3.33Å; L1088-H1092 PolarHBondContact O-N 3.23Å; L1088-I1101 HydrophobicContact CD1-CD1 3.94Å; L1088-I1101 HydrophobicContact CD1-CG1 3.87Å; L1088-I1101 HydrophobicContact CD1-CG2 3.97Å; L1088-I1101 HydrophobicContact CD2-CD1 3.86Å; L1088-I1101 HydrophobicContact CD2-CG1 3.91Å; L1088-I1101 HydrophobicContact CG-CD1 4.02Å; L1088-I1101 HydrophobicContact CG-CG1 4.3Å; L1088-I1116 HydrophobicContact CB-CD1 4.4Å; L1088-I1116 HydrophobicContact CD1-CD1 4.5Å; L1088-I1116 HydrophobicContact CG-CD1 3.79Å; L1088-D1162 HydrophobicContact CD2-CB 3.94Å; L1088-F1166 HydrophobicContact CD1-CB 4.33Å; L1088-F1166 HydrophobicContact CD1-CD2 3.97Å; L1088-M1232 HydrophobicContact CB-CE 3.83Å; L1088-M1232 HydrophobicContact CB-CG 4.04Å; L1088-M1232 HydrophobicContact CD1-CE 3.64Å; L1088-M1232 HydrophobicContact CG-CE 4.24Å |
| 1089 | A | 96.9 | Very high | 95.4 | Very high | 20 Ų | 20 | 25.5 Ų | 25.5 | 17% | 0.165 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.2 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1085 Q1086 S1093 M1232 L1236 | G1085-A1089 WeakPolarHBondContact O-CB 3.09Å; G1085-A1089 PolarHBondContact O-N 3.32Å; Q1086-A1089 PolarHBondContact O-N 3.1Å; A1089-S1093 WeakPolarHBondContact O-CB 3.11Å; A1089-S1093 PolarHBondContact O-N 3.02Å; A1089-M1232 HydrophobicContact CB-CB 4.18Å; A1089-M1232 HydrophobicContact CB-CG 4.47Å; A1089-L1236 HydrophobicContact CB-CD1 4.29Å |
| 1090 | Y | 97 | Very high | 95.1 | Very high | 36 Ų | 36 | 22.3 Ų | 22.3 | 14% | 0.141 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.5 | -49.4 | 173.4 | 178.7 | -93.9 | 0 | 0 | 0 | 112.6 | L1021 N1022 H1023 V1026 Q1086 G1087 L1088 H1092 S1093 K1094 | L1021-Y1090 HydrophobicContact CB-CE1 4.45Å; L1021-Y1090 HydrophobicContact CD2-CE1 4.05Å; N1022-Y1090 PolarHBondContact N-OH 3.44Å; N1022-Y1090 WeakPolarHBondContact O-CE2 3.34Å; N1022-Y1090 VanDerWaalsContact O-CZ 3.26Å; N1022-Y1090 PolarHBondContact O-OH 3.2Å; H1023-Y1090 HydrophobicContact CB-CD1 3.76Å; H1023-Y1090 HydrophobicContact CB-CD2 3.79Å; H1023-Y1090 HydrophobicContact CB-CE1 3.88Å; H1023-Y1090 HydrophobicContact CB-CE2 3.88Å; H1023-Y1090 HydrophobicContact CB-CG 3.7Å; H1023-Y1090 AromaticContact CD2-CD2 3.35Å; H1023-Y1090 WeakPolarHBondContact CD2-CD2 3.34Å; H1023-Y1090 AromaticContact CD2-CG 3.63Å; H1023-Y1090 AromaticContact CG-CD2 3.72Å; H1023-Y1090 AromaticContact CG-CG 3.62Å; V1026-Y1090 HydrophobicContact CG2-CD1 4.09Å; Q1086-Y1090 WeakPolarHBondContact O-CB 3.41Å; Q1086-Y1090 PolarHBondContact O-N 2.95Å; G1087-Y1090 WeakPolarHBondContact O-CB 3.42Å; G1087-Y1090 PolarHBondContact O-N 2.95Å; L1088-Y1090 PolarHBondContact O-N 3.29Å; Y1090-H1092 VanDerWaalsContact C-N 3.34Å; Y1090-H1092 PolarHBondContact O-N 2.83Å; Y1090-S1093 WeakPolarHBondContact O-CB 3.42Å; Y1090-S1093 PolarHBondContact O-N 2.94Å; Y1090-S1093 PolarHBondContact O-OG 2.85Å; Y1090-K1094 HydrophobicContact CE1-CG 4.24Å; Y1090-K1094 WeakPolarHBondContact O-CG 3.25Å; Y1090-K1094 PolarHBondContact O-N 3.38Å; Y1090-K1094 VanDerWaalsContact OH-CE 3.31Å; Y1090-K1094 WeakPolarHBondContact OH-CE 3.3Å; Y1090-K1094 PolarHBondContact OH-NZ 3.27Å |
| 1091 | L | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 178.1 | -67.9 | 171.2 | 0 | 0 | 0 | 111.8 | L1021 G1087 L1088 S1093 K1094 H1095 L1096 I1116 F1119 | L1021-L1091 HydrophobicContact CD1-CD2 3.94Å; L1021-L1091 HydrophobicContact CD2-CD2 4.13Å; G1087-L1091 WeakPolarHBondContact O-CG 3.12Å; G1087-L1091 PolarHBondContact O-N 2.99Å; L1088-L1091 PolarHBondContact O-N 3.42Å; L1088-L1091 VanDerWaalsContact O-N 3.14Å; L1091-S1093 VanDerWaalsContact C-N 3.33Å; L1091-S1093 PolarHBondContact O-N 3.27Å; L1091-K1094 CarbonylContact O-C 3.6Å; L1091-K1094 WeakPolarHBondContact O-CA 3.46Å; L1091-K1094 WeakPolarHBondContact O-CB 3.24Å; L1091-K1094 PolarHBondContact O-N 3.34Å; L1091-H1095 PolarHBondContact O-N 3.17Å; L1091-L1096 CarbonylContact C-O 3.58Å; L1091-L1096 HydrophobicContact CB-CB 4.41Å; L1091-L1096 HydrophobicContact CD2-CD1 4.15Å; L1091-L1096 WeakPolarHBondContact O-CB 3.48Å; L1091-L1096 PolarHBondContact O-N 2.83Å; L1091-I1116 HydrophobicContact CD1-CD1 4.16Å; L1091-I1116 HydrophobicContact CD1-CG2 4.22Å; L1091-F1119 HydrophobicContact CD1-CE1 3.99Å; L1091-F1119 HydrophobicContact CD2-CE1 3.9Å |
| 1092 | H | 94.7 | Very high | 95 | Very high | 16 Ų | 16 | 22.2 Ų | 22.2 | 7% | 0.074 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.6 | -37.7 | 176.2 | -64.8 | 171.6 | 0 | 0 | 0 | 111.8 | L1088 Y1090 K1094 H1095 L1096 I1159 D1162 | L1088-H1092 WeakPolarHBondContact O-CB 3.33Å; L1088-H1092 PolarHBondContact O-N 3.23Å; Y1090-H1092 VanDerWaalsContact C-N 3.34Å; Y1090-H1092 PolarHBondContact O-N 2.83Å; H1092-K1094 PolarHBondContact O-N 3.09Å; H1092-H1095 WeakPolarHBondContact O-CA 3.25Å; H1092-H1095 PolarHBondContact O-N 3.04Å; H1092-L1096 PolarHBondContact CD2-O 3.37Å; H1092-I1159 HydrophobicContact CB-CD1 4.15Å; H1092-I1159 HydrophobicContact CB-CG1 4.17Å; H1092-D1162 IonicContact CD2-OD2 2.72Å; H1092-D1162 IonicContact CE1-OD2 3.13Å; H1092-D1162 WeakPolarHBondContact NE2-CB 3.48Å; H1092-D1162 IonicContact NE2-OD2 2.75Å; H1092-D1162 PolarHBondContact NE2-OD2 2.79Å |
| 1093 | S | 93.3 | Very high | 94.9 | Very high | 80 Ų | 80 | 21 Ų | 21 | 56% | 0.559 | 11% | 0.109 | S | C | * | . | H | α-helix | trans | -64.2 | -23.5 | 173 | 82.9 | 0 | 0 | 0 | 0 | 113.9 | A1089 Y1090 L1091 H1095 | A1089-S1093 WeakPolarHBondContact O-CB 3.11Å; A1089-S1093 PolarHBondContact O-N 3.02Å; Y1090-S1093 WeakPolarHBondContact O-CB 3.42Å; Y1090-S1093 PolarHBondContact O-N 2.94Å; Y1090-S1093 PolarHBondContact O-OG 2.85Å; L1091-S1093 VanDerWaalsContact C-N 3.33Å; L1091-S1093 PolarHBondContact O-N 3.27Å; S1093-H1095 VanDerWaalsContact C-N 3.3Å |
| 1094 | K | 91.4 | Very high | 94.6 | Very high | 74 Ų | 74 | 24.1 Ų | 24.1 | 32% | 0.322 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 3.5 | 173.4 | -63.2 | -82.4 | -177.8 | 144.9 | 0 | 112.9 | S1020 Y1090 L1091 H1092 L1096 | S1020-K1094 PolarHBondContact O-NZ 2.95Å; Y1090-K1094 HydrophobicContact CE1-CG 4.24Å; Y1090-K1094 WeakPolarHBondContact O-CG 3.25Å; Y1090-K1094 PolarHBondContact O-N 3.38Å; Y1090-K1094 VanDerWaalsContact OH-CE 3.31Å; Y1090-K1094 WeakPolarHBondContact OH-CE 3.3Å; Y1090-K1094 PolarHBondContact OH-NZ 3.27Å; L1091-K1094 CarbonylContact O-C 3.6Å; L1091-K1094 WeakPolarHBondContact O-CA 3.46Å; L1091-K1094 WeakPolarHBondContact O-CB 3.24Å; L1091-K1094 PolarHBondContact O-N 3.34Å; H1092-K1094 PolarHBondContact O-N 3.09Å; K1094-L1096 HydrophobicContact CB-CD1 3.95Å; K1094-L1096 HydrophobicContact CB-CG 4Å; K1094-L1096 PolarHBondContact O-N 3.22Å |
| 1095 | H | 90.2 | Very high | 94.4 | Very high | 105 Ų | 105 | 24.9 Ų | 24.9 | 49% | 0.486 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 32.4 | -169.3 | -49.5 | -71.4 | 0 | 0 | 0 | 113.9 | L1091 H1092 S1093 Q1124 A1125 | L1091-H1095 PolarHBondContact O-N 3.17Å; H1092-H1095 WeakPolarHBondContact O-CA 3.25Å; H1092-H1095 PolarHBondContact O-N 3.04Å; S1093-H1095 VanDerWaalsContact C-N 3.3Å; H1095-Q1124 CarbonylContact O-C 3.59Å; H1095-Q1124 WeakPolarHBondContact O-CA 3.42Å; H1095-A1125 PolarHBondContact O-N 2.77Å |
| 1096 | L | 91 | Very high | 94.4 | Very high | 11 Ų | 11 | 24.9 Ų | 24.9 | 6% | 0.058 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.2 | 175.4 | -61.5 | 173 | 0 | 0 | 0 | 109.7 | L1017 L1021 L1091 H1092 K1094 T1122 Q1124 | L1017-L1096 HydrophobicContact CD1-CD2 4.35Å; L1017-L1096 HydrophobicContact CD2-CD1 4.04Å; L1017-L1096 HydrophobicContact CG-CD1 4.48Å; L1017-L1096 HydrophobicContact CG-CD2 4.42Å; L1021-L1096 HydrophobicContact CD2-CD1 3.68Å; L1091-L1096 CarbonylContact C-O 3.58Å; L1091-L1096 HydrophobicContact CB-CB 4.41Å; L1091-L1096 HydrophobicContact CD2-CD1 4.15Å; L1091-L1096 WeakPolarHBondContact O-CB 3.48Å; L1091-L1096 PolarHBondContact O-N 2.83Å; H1092-L1096 PolarHBondContact CD2-O 3.37Å; K1094-L1096 HydrophobicContact CB-CD1 3.95Å; K1094-L1096 HydrophobicContact CB-CG 4Å; K1094-L1096 PolarHBondContact O-N 3.22Å; L1096-T1122 HydrophobicContact CB-CG2 4.03Å; L1096-Q1124 HydrophobicContact CD2-CB 4.03Å; L1096-Q1124 HydrophobicContact CD2-CG 4.47Å |
| 1097 | I | 92.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.5 | 173.6 | -55.3 | 159 | 0 | 0 | 0 | 106.8 | R1099 T1122 R1123 A1125 F1157 D1162 | I1097-R1099 HydrophobicContact CG2-CG 3.97Å; I1097-T1122 WeakPolarHBondContact O-CA 3.33Å; I1097-T1122 WeakPolarHBondContact O-CG2 3.24Å; I1097-R1123 PolarHBondContact N-O 2.67Å; I1097-R1123 PolarHBondContact O-N 2.97Å; I1097-A1125 HydrophobicContact CD1-CB 3.91Å; I1097-A1125 HydrophobicContact CG1-CB 4.48Å; I1097-F1157 HydrophobicContact CG2-CB 4.26Å; I1097-D1162 WeakPolarHBondContact CA-OD2 3.38Å; I1097-D1162 WeakPolarHBondContact CG2-OD2 3.02Å |
| 1098 | H | 92.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -75.7 | -42.9 | -172.1 | -167.9 | -63.6 | 0 | 0 | 0 | 111.9 | D1100 I1101 N1105 I1116 G1117 D1118 F1119 L1121 T1122 D1162 | H1098-D1100 PolarHBondContact CE1-O 2.82Å; H1098-D1100 PolarHBondContact ND1-N 2.86Å; H1098-D1100 PolarHBondContact ND1-O 3.15Å; H1098-D1100 PolarHBondContact O-N 2.9Å; H1098-I1101 HydrophobicContact CB-CD1 3.7Å; H1098-I1101 HydrophobicContact CB-CG1 3.93Å; H1098-I1101 VanDerWaalsContact CG-CD1 3.47Å; H1098-N1105 PolarHBondContact CE1-ND2 3.47Å; H1098-I1116 VanDerWaalsContact CD2-CG2 3.41Å; H1098-I1116 WeakPolarHBondContact CD2-CG2 3.26Å; H1098-I1116 WeakPolarHBondContact NE2-CG2 3.27Å; H1098-G1117 PolarHBondContact CE1-O 3.37Å; H1098-G1117 PolarHBondContact NE2-O 3.49Å; H1098-D1118 PolarHBondContact CE1-O 3.04Å; H1098-D1118 PolarHBondContact NE2-O 2.81Å; H1098-F1119 AromaticContact CD2-CE1 3.96Å; H1098-F1119 AromaticContact NE2-CE1 3.84Å; H1098-L1121 CarbonylContact O-C 3.5Å; H1098-T1122 WeakPolarHBondContact O-CA 3.27Å; H1098-T1122 PolarHBondContact O-N 2.8Å; H1098-D1162 PolarHBondContact N-OD1 3.31Å; H1098-D1162 PolarHBondContact N-OD2 3Å | ||
| 1099 | R | 90.9 | Very high | 94 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 67.8 | -3.1 | 179.8 | -42.2 | -171 | -44.4 | -163.9 | 4.5 | 116.3 | I1097 L1121 P1143 F1157 D1162 | I1097-R1099 HydrophobicContact CG2-CG 3.97Å; R1099-L1121 PolarHBondContact NE-O 3.3Å; R1099-L1121 PolarHBondContact NH2-O 2.97Å; R1099-P1143 WeakPolarHBondContact O-CG 3.39Å; R1099-F1157 HydrophobicContact CB-CD1 3.6Å; R1099-F1157 HydrophobicContact CB-CE1 3.69Å; R1099-F1157 HydrophobicContact CB-CG 4.31Å; R1099-F1157 HydrophobicContact CB-CZ 4.48Å; R1099-F1157 HydrophobicContact CG-CB 4.01Å; R1099-F1157 HydrophobicContact CG-CD1 3.61Å; R1099-F1157 HydrophobicContact CG-CE1 4.15Å; R1099-F1157 HydrophobicContact CG-CG 3.84Å; R1099-D1162 PolarHBondContact N-OD1 3.05Å |
| 1100 | D | 92.3 | Very high | 93.7 | Very high | 21 Ų | 21 | 27 Ų | 27 | 11% | 0.112 | 15% | 0.146 | C | C | . | . | trans | -145.7 | 54.4 | 179.8 | -167.2 | 19.1 | 0 | 0 | 0 | 111.8 | H1098 R1104 N1105 L1121 P1143 | H1098-D1100 PolarHBondContact CE1-O 2.82Å; H1098-D1100 PolarHBondContact ND1-N 2.86Å; H1098-D1100 PolarHBondContact ND1-O 3.15Å; H1098-D1100 PolarHBondContact O-N 2.9Å; D1100-R1104 IonicContact OD1-CZ 3.95Å; D1100-R1104 IonicContact OD1-NE 3.56Å; D1100-R1104 IonicContact OD1-NH2 3.17Å; D1100-R1104 PolarHBondContact OD1-NH2 3.35Å; D1100-N1105 PolarHBondContact O-ND2 3.34Å; D1100-N1105 PolarHBondContact OD2-ND2 3.31Å; D1100-L1121 HydrophobicContact CB-CB 4.47Å; D1100-L1121 HydrophobicContact CB-CD1 3.83Å; D1100-P1143 HydrophobicContact CB-CG 4.12Å; D1100-P1143 WeakPolarHBondContact OD1-CB 3.33Å; D1100-P1143 WeakPolarHBondContact OD1-CG 3.39Å | ||
| 1101 | I | 96.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | trans | -82 | 118.8 | 173.9 | -62 | -64.1 | 0 | 0 | 0 | 109.4 | L1088 H1098 I1116 T1169 | L1088-I1101 HydrophobicContact CD1-CD1 3.94Å; L1088-I1101 HydrophobicContact CD1-CG1 3.87Å; L1088-I1101 HydrophobicContact CD1-CG2 3.97Å; L1088-I1101 HydrophobicContact CD2-CD1 3.86Å; L1088-I1101 HydrophobicContact CD2-CG1 3.91Å; L1088-I1101 HydrophobicContact CG-CD1 4.02Å; L1088-I1101 HydrophobicContact CG-CG1 4.3Å; H1098-I1101 HydrophobicContact CB-CD1 3.7Å; H1098-I1101 HydrophobicContact CB-CG1 3.93Å; H1098-I1101 VanDerWaalsContact CG-CD1 3.47Å; I1101-I1116 HydrophobicContact CD1-CD1 4.24Å; I1101-I1116 HydrophobicContact CD1-CG2 4.13Å; I1101-T1169 PolarHBondContact O-OG1 3.47Å | ||
| 1102 | A | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -161.1 | 162.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | R1104 N1105 C1106 W1146 T1169 | A1102-R1104 HydrophobicContact CB-CG 3.67Å; A1102-R1104 PolarHBondContact O-N 3.4Å; A1102-R1104 VanDerWaalsContact O-N 3.09Å; A1102-N1105 PolarHBondContact O-N 2.92Å; A1102-C1106 PolarHBondContact O-N 2.94Å; A1102-C1106 PolarHBondContact O-SG 3.31Å; A1102-C1106 VanDerWaalsContact O-SG 3.38Å; A1102-W1146 HydrophobicContact CB-CD2 4.12Å; A1102-W1146 HydrophobicContact CB-CG 4.05Å; A1102-W1146 HydrophobicContact CB-CZ2 4.38Å; A1102-W1146 VanDerWaalsContact CB-NE1 3.3Å; A1102-T1169 WeakPolarHBondContact CA-OG1 3.32Å |
| 1103 | C | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.7 | 178.8 | -77.7 | 0 | 0 | 0 | 0 | 114 | L1052 K1053 N1105 E1172 | L1052-C1103 HydrophobicContact CB-CB 4.42Å; L1052-C1103 PolarHBondContact N-O 2.87Å; K1053-C1103 HydrophobicContact CB-CB 3.75Å; K1053-C1103 HydrophobicContact CG-CB 4.39Å; K1053-C1103 PolarHBondContact N-O 3.03Å; K1053-C1103 VanDerWaalsContact N-O 3.1Å; C1103-N1105 VanDerWaalsContact C-N 3.34Å; C1103-E1172 HydrophobicContact CB-CB 4.15Å; C1103-E1172 PolarHBondContact N-OE2 2.92Å; C1103-E1172 VanDerWaalsContact SG-CB 3.51Å |
| 1104 | R | 93 | Very high | 93.5 | Very high | 73 Ų | 73 | 31 Ų | 31 | 28% | 0.275 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -27.3 | 172.6 | 52.7 | 159.4 | 178.1 | -70.6 | -8.2 | 114.2 | D1100 A1102 P1143 W1146 | D1100-R1104 IonicContact OD1-CZ 3.95Å; D1100-R1104 IonicContact OD1-NE 3.56Å; D1100-R1104 IonicContact OD1-NH2 3.17Å; D1100-R1104 PolarHBondContact OD1-NH2 3.35Å; A1102-R1104 HydrophobicContact CB-CG 3.67Å; A1102-R1104 PolarHBondContact O-N 3.4Å; A1102-R1104 VanDerWaalsContact O-N 3.09Å; R1104-P1143 VanDerWaalsContact NH2-CB 3.3Å; R1104-W1146 VanDerWaalsContact NH1-CZ2 3.31Å |
| 1105 | N | 93.8 | Very high | 93.8 | Very high | 16 Ų | 16 | 28.8 Ų | 28.8 | 9% | 0.086 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 2.1 | -173.9 | -64.7 | -3.5 | 0 | 0 | 0 | 111.7 | H1098 D1100 A1102 C1103 G1117 | H1098-N1105 PolarHBondContact CE1-ND2 3.47Å; D1100-N1105 PolarHBondContact O-ND2 3.34Å; D1100-N1105 PolarHBondContact OD2-ND2 3.31Å; A1102-N1105 PolarHBondContact O-N 2.92Å; C1103-N1105 VanDerWaalsContact C-N 3.34Å; N1105-G1117 PolarHBondContact O-N 3.45Å |
| 1106 | C | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.9 | 168.2 | -57 | 0 | 0 | 0 | 0 | 107.6 | D1051 L1052 I1084 A1102 V1114 K1115 | D1051-C1106 CarbonylContact C-O 3.48Å; D1051-C1106 WeakPolarHBondContact CA-O 3.39Å; L1052-C1106 HydrophobicContact CB-CB 4.09Å; L1052-C1106 WeakPolarHBondContact CB-O 3.28Å; L1052-C1106 HydrophobicContact CD2-CB 4.28Å; L1052-C1106 PolarHBondContact N-O 3.14Å; I1084-C1106 HydrophobicContact CD1-CB 4.1Å; I1084-C1106 HydrophobicContact CG1-CB 4.26Å; A1102-C1106 PolarHBondContact O-N 2.94Å; A1102-C1106 PolarHBondContact O-SG 3.31Å; A1102-C1106 VanDerWaalsContact O-SG 3.38Å; C1106-V1114 HydrophobicContact CB-CG1 3.83Å; C1106-K1115 CarbonylContact C-O 3.44Å; C1106-K1115 WeakPolarHBondContact CA-O 3.24Å |
| 1107 | L | 95.4 | Very high | 94.2 | Very high | 47 Ų | 47 | 23.3 Ų | 23.3 | 25% | 0.246 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 151 | -177.9 | -55.8 | -174.5 | 0 | 0 | 0 | 110.9 | V1027 M1047 G1050 D1051 V1114 K1115 | V1027-L1107 HydrophobicContact CG2-CD1 4.07Å; M1047-L1107 HydrophobicContact CB-CB 3.66Å; M1047-L1107 HydrophobicContact CB-CD1 4.02Å; M1047-L1107 HydrophobicContact CB-CG 4.46Å; M1047-L1107 VanDerWaalsContact CE-C 3.42Å; M1047-L1107 HydrophobicContact CE-CB 3.85Å; M1047-L1107 WeakPolarHBondContact CE-O 3.34Å; M1047-L1107 HydrophobicContact CG-CB 3.64Å; M1047-L1107 HydrophobicContact CG-CD1 3.8Å; M1047-L1107 HydrophobicContact CG-CG 4.39Å; G1050-L1107 CarbonylContact O-C 3.58Å; G1050-L1107 WeakPolarHBondContact O-CA 3.48Å; D1051-L1107 HydrophobicContact CB-CD2 3.85Å; L1107-V1114 CarbonylContact O-C 3.51Å; L1107-V1114 WeakPolarHBondContact O-CA 3.44Å; L1107-K1115 PolarHBondContact N-O 2.66Å; L1107-K1115 PolarHBondContact O-N 2.64Å |
| 1108 | V | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.7 | -174.4 | -168.4 | 0 | 0 | 0 | 0 | 111 | M1047 L1049 G1050 L1052 Y1055 V1114 | M1047-V1108 CarbonylContact C-O 3.53Å; L1049-V1108 HydrophobicContact CB-CB 4.03Å; L1049-V1108 HydrophobicContact CB-CG1 4.14Å; L1049-V1108 HydrophobicContact CD1-CG1 4.25Å; L1049-V1108 PolarHBondContact N-O 2.87Å; G1050-V1108 PolarHBondContact O-N 2.98Å; L1052-V1108 HydrophobicContact CB-CG2 4.05Å; L1052-V1108 HydrophobicContact CD1-CG2 3.88Å; Y1055-V1108 HydrophobicContact CD2-CB 4.13Å; Y1055-V1108 HydrophobicContact CD2-CG1 3.87Å; Y1055-V1108 HydrophobicContact CD2-CG2 4.13Å; Y1055-V1108 HydrophobicContact CE2-CG1 3.93Å; Y1055-V1108 HydrophobicContact CG-CG2 4.09Å; V1108-V1114 HydrophobicContact CG2-CG2 4.4Å |
| 1109 | A | 93.2 | Very high | 93.5 | Very high | 13 Ų | 13 | 25.6 Ų | 25.6 | 11% | 0.107 | 14% | 0.137 | C | C | . | . | trans | -82.3 | 170.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1047 L1049 D1111 R1112 T1113 | M1047-A1109 HydrophobicContact CE-CB 3.74Å; M1047-A1109 VanDerWaalsContact CE-N 3.33Å; M1047-A1109 HydrophobicContact SD-CB 4.11Å; L1049-A1109 VanDerWaalsContact CD1-O 3.3Å; L1049-A1109 WeakPolarHBondContact CD1-O 3.45Å; A1109-D1111 WeakPolarHBondContact CB-OD1 3.41Å; A1109-D1111 PolarHBondContact O-N 3.33Å; A1109-R1112 WeakPolarHBondContact O-CA 3.46Å; A1109-R1112 PolarHBondContact O-N 3.24Å; A1109-T1113 WeakPolarHBondContact CB-O 3.27Å; A1109-T1113 PolarHBondContact N-O 2.98Å | ||
| 1110 | A | 90.8 | Very high | 92.7 | Very high | 67 Ų | 67 | 25.6 Ų | 25.6 | 55% | 0.554 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -25.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1048 R1112 | L1048-A1110 HydrophobicContact CB-CB 4.05Å; L1048-A1110 HydrophobicContact CD2-CB 3.69Å; A1110-R1112 VanDerWaalsContact C-N 3.29Å |
| 1111 | D | 91.7 | Very high | 91.8 | Very high | 103 Ų | 103 | 25.9 Ų | 25.9 | 55% | 0.551 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -6.7 | 172.8 | 62.4 | -14.2 | 0 | 0 | 0 | 113.5 | A1109 T1113 | A1109-D1111 WeakPolarHBondContact CB-OD1 3.41Å; A1109-D1111 PolarHBondContact O-N 3.33Å; D1111-T1113 WeakPolarHBondContact OD1-CB 3.48Å; D1111-T1113 PolarHBondContact OD1-N 3.24Å; D1111-T1113 PolarHBondContact OD1-OG1 3.3Å; D1111-T1113 WeakPolarHBondContact OD2-CB 3.45Å; D1111-T1113 PolarHBondContact OD2-OG1 3.5Å |
| 1112 | R | 91.4 | Very high | 91.1 | Very high | 76 Ų | 76 | 25.9 Ų | 25.9 | 29% | 0.287 | 14% | 0.139 | S | C | . | . | S | Bend | trans | 78.3 | 8.8 | -171.7 | -57.8 | 166.3 | -80.9 | -142.5 | 0.7 | 115.7 | L1049 E1070 D1071 M1080 A1109 A1110 | L1049-R1112 HydrophobicContact CD1-CG 4.13Å; E1070-R1112 IonicContact OE1-CZ 3.12Å; E1070-R1112 IonicContact OE1-NH1 3.97Å; E1070-R1112 PolarHBondContact OE1-NH1 3.48Å; E1070-R1112 IonicContact OE1-NH2 2.68Å; E1070-R1112 PolarHBondContact OE1-NH2 3.44Å; E1070-R1112 VanDerWaalsContact OE1-NH2 3.12Å; E1070-R1112 IonicContact OE2-NH2 3.74Å; D1071-R1112 WeakPolarHBondContact OD1-CD 3.34Å; D1071-R1112 IonicContact OD1-CZ 2.69Å; D1071-R1112 IonicContact OD1-NE 3.38Å; D1071-R1112 IonicContact OD1-NH1 3.94Å; D1071-R1112 PolarHBondContact OD1-NH1 3.11Å; M1080-R1112 HydrophobicContact CE-CB 4.18Å; A1109-R1112 WeakPolarHBondContact O-CA 3.46Å; A1109-R1112 PolarHBondContact O-N 3.24Å; A1110-R1112 VanDerWaalsContact C-N 3.29Å |
| 1113 | T | 96.3 | Very high | 90.3 | Very high | 36 Ų | 36 | 29.1 Ų | 29.1 | 22% | 0.221 | 15% | 0.152 | C | C | . | . | trans | -64.9 | 134.8 | 169.5 | -60 | 0 | 0 | 0 | 0 | 110.3 | A1109 D1111 | A1109-T1113 WeakPolarHBondContact CB-O 3.27Å; A1109-T1113 PolarHBondContact N-O 2.98Å; D1111-T1113 WeakPolarHBondContact OD1-CB 3.48Å; D1111-T1113 PolarHBondContact OD1-N 3.24Å; D1111-T1113 PolarHBondContact OD1-OG1 3.3Å; D1111-T1113 WeakPolarHBondContact OD2-CB 3.45Å; D1111-T1113 PolarHBondContact OD2-OG1 3.5Å | ||
| 1114 | V | 97.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 140.5 | 177.6 | -174.3 | 0 | 0 | 0 | 0 | 111 | N1025 L1052 M1080 D1083 I1084 C1106 L1107 V1108 | N1025-V1114 WeakPolarHBondContact CB-O 3.38Å; N1025-V1114 PolarHBondContact ND2-O 3.35Å; N1025-V1114 VanDerWaalsContact ND2-O 3.15Å; L1052-V1114 HydrophobicContact CD2-CG1 4.39Å; M1080-V1114 HydrophobicContact CB-CG2 3.74Å; M1080-V1114 HydrophobicContact CG-CG2 3.64Å; D1083-V1114 HydrophobicContact CB-CB 3.83Å; D1083-V1114 PolarHBondContact OD2-N 3.41Å; I1084-V1114 HydrophobicContact CD1-CG1 4.11Å; I1084-V1114 HydrophobicContact CG1-CB 4.42Å; I1084-V1114 HydrophobicContact CG1-CG1 3.66Å; C1106-V1114 HydrophobicContact CB-CG1 3.83Å; L1107-V1114 CarbonylContact O-C 3.51Å; L1107-V1114 WeakPolarHBondContact O-CA 3.44Å; V1108-V1114 HydrophobicContact CG2-CG2 4.4Å |
| 1115 | K | 98 | Very high | 88.4 | Confident | 27 Ų | 27 | 31.5 Ų | 31.5 | 12% | 0.117 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 144.8 | 177.1 | -49.7 | -168.3 | -178 | -163.4 | 0 | 112.5 | P1024 N1025 V1027 E1045 M1047 C1106 L1107 | P1024-K1115 VanDerWaalsContact O-CD 3.23Å; P1024-K1115 WeakPolarHBondContact O-CD 3.44Å; P1024-K1115 WeakPolarHBondContact O-CE 3.3Å; P1024-K1115 WeakPolarHBondContact O-CG 3.38Å; P1024-K1115 PolarHBondContact O-NZ 2.82Å; N1025-K1115 WeakPolarHBondContact O-CA 3.5Å; V1027-K1115 HydrophobicContact CG2-CB 3.82Å; E1045-K1115 VanDerWaalsContact OE1-CD 3.25Å; E1045-K1115 WeakPolarHBondContact OE1-CD 3.31Å; E1045-K1115 IonicContact OE1-NZ 3.28Å; E1045-K1115 PolarHBondContact OE1-NZ 2.82Å; E1045-K1115 IonicContact OE2-NZ 3.09Å; E1045-K1115 PolarHBondContact OE2-NZ 3.4Å; M1047-K1115 HydrophobicContact CE-CB 3.79Å; M1047-K1115 HydrophobicContact CE-CD 3.83Å; M1047-K1115 HydrophobicContact CE-CG 3.55Å; M1047-K1115 HydrophobicContact SD-CD 3.8Å; M1047-K1115 HydrophobicContact SD-CG 4.22Å; C1106-K1115 CarbonylContact C-O 3.44Å; C1106-K1115 WeakPolarHBondContact CA-O 3.24Å; L1107-K1115 PolarHBondContact N-O 2.66Å; L1107-K1115 PolarHBondContact O-N 2.64Å |
| 1116 | I | 97.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 133.4 | 175.2 | -58 | 178.4 | 0 | 0 | 0 | 110.6 | N1025 V1027 I1084 L1088 L1091 H1098 I1101 F1119 | N1025-I1116 PolarHBondContact O-N 3.4Å; V1027-I1116 WeakPolarHBondContact CB-O 3.39Å; V1027-I1116 WeakPolarHBondContact CG2-O 3.43Å; V1027-I1116 PolarHBondContact N-O 3.01Å; I1084-I1116 HydrophobicContact CG2-CD1 4.44Å; L1088-I1116 HydrophobicContact CB-CD1 4.4Å; L1088-I1116 HydrophobicContact CD1-CD1 4.5Å; L1088-I1116 HydrophobicContact CG-CD1 3.79Å; L1091-I1116 HydrophobicContact CD1-CD1 4.16Å; L1091-I1116 HydrophobicContact CD1-CG2 4.22Å; H1098-I1116 VanDerWaalsContact CD2-CG2 3.41Å; H1098-I1116 WeakPolarHBondContact CD2-CG2 3.26Å; H1098-I1116 WeakPolarHBondContact NE2-CG2 3.27Å; I1101-I1116 HydrophobicContact CD1-CD1 4.24Å; I1101-I1116 HydrophobicContact CD1-CG2 4.13Å; I1116-F1119 HydrophobicContact CG2-CE1 4.41Å; I1116-F1119 HydrophobicContact CG2-CZ 4.18Å; I1116-F1119 WeakPolarHBondContact O-CZ 3.39Å |
| 1117 | G | 91.8 | Very high | 84.8 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | trans | -132.8 | -171.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H1098 N1105 | H1098-G1117 PolarHBondContact CE1-O 3.37Å; H1098-G1117 PolarHBondContact NE2-O 3.49Å; N1105-G1117 PolarHBondContact O-N 3.45Å | ||
| 1118 | D | 84.6 | Confident | 82.4 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 27% | 0.267 | 25% | 0.245 | S | C | . | . | trans | 45.7 | 86.3 | -173.7 | -151.7 | -15.2 | 0 | 0 | 0 | 114.9 | K997 H1098 G1120 | K997-D1118 IonicContact NZ-OD1 3.7Å; K997-D1118 PolarHBondContact NZ-OD1 3.09Å; K997-D1118 IonicContact NZ-OD2 2.76Å; H1098-D1118 PolarHBondContact CE1-O 3.04Å; H1098-D1118 PolarHBondContact NE2-O 2.81Å; D1118-G1120 VanDerWaalsContact C-N 3.35Å; D1118-G1120 PolarHBondContact O-N 3.4Å | ||
| 1119 | F | 84.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | trans | -90.8 | 6.4 | -172.3 | -67.7 | -84 | 0 | 0 | 0 | 113.5 | E1014 L1017 M1018 L1021 V1026 L1091 H1098 I1116 L1121 T1122 | E1014-F1119 HydrophobicContact CG-CB 3.81Å; E1014-F1119 PolarHBondContact OE1-N 3.21Å; L1017-F1119 HydrophobicContact CD2-CB 4.21Å; L1017-F1119 HydrophobicContact CD2-CD1 4.04Å; L1017-F1119 HydrophobicContact CD2-CG 4.27Å; M1018-F1119 HydrophobicContact CE-CD2 4.01Å; M1018-F1119 HydrophobicContact CE-CE2 4.17Å; M1018-F1119 HydrophobicContact CG-CB 4.24Å; M1018-F1119 HydrophobicContact CG-CD2 3.64Å; M1018-F1119 HydrophobicContact CG-CE2 4.35Å; M1018-F1119 HydrophobicContact CG-CG 4.07Å; M1018-F1119 HydrophobicContact SD-CD2 3.77Å; L1021-F1119 HydrophobicContact CD1-CD1 4.22Å; L1021-F1119 HydrophobicContact CD1-CE1 3.92Å; L1021-F1119 HydrophobicContact CD1-CE2 4.47Å; L1021-F1119 HydrophobicContact CD1-CZ 4.08Å; V1026-F1119 HydrophobicContact CG1-CE2 4.38Å; V1026-F1119 HydrophobicContact CG1-CZ 3.84Å; L1091-F1119 HydrophobicContact CD1-CE1 3.99Å; L1091-F1119 HydrophobicContact CD2-CE1 3.9Å; H1098-F1119 AromaticContact CD2-CE1 3.96Å; H1098-F1119 AromaticContact NE2-CE1 3.84Å; I1116-F1119 HydrophobicContact CG2-CE1 4.41Å; I1116-F1119 HydrophobicContact CG2-CZ 4.18Å; I1116-F1119 WeakPolarHBondContact O-CZ 3.39Å; F1119-L1121 PolarHBondContact O-N 2.98Å; F1119-L1121 VanDerWaalsContact O-N 3.12Å; F1119-T1122 HydrophobicContact CD1-CG2 4.23Å; F1119-T1122 WeakPolarHBondContact CD1-OG1 3.4Å; F1119-T1122 WeakPolarHBondContact O-CB 3.45Å; F1119-T1122 PolarHBondContact O-N 3.41Å | ||
| 1120 | G | 73.7 | Confident | 77.2 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1118 R1123 | D1118-G1120 VanDerWaalsContact C-N 3.35Å; D1118-G1120 PolarHBondContact O-N 3.4Å; G1120-R1123 PolarHBondContact O-NH1 2.89Å; G1120-R1123 PolarHBondContact O-NH2 2.75Å |
| 1121 | L | 73.5 | Confident | 75.1 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 14% | 0.141 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -14.4 | 173.7 | -68.1 | 176.1 | 0 | 0 | 0 | 114.1 | H1098 R1099 D1100 F1119 | H1098-L1121 CarbonylContact O-C 3.5Å; R1099-L1121 PolarHBondContact NE-O 3.3Å; R1099-L1121 PolarHBondContact NH2-O 2.97Å; D1100-L1121 HydrophobicContact CB-CB 4.47Å; D1100-L1121 HydrophobicContact CB-CD1 3.83Å; F1119-L1121 PolarHBondContact O-N 2.98Å; F1119-L1121 VanDerWaalsContact O-N 3.12Å |
| 1122 | T | 81.1 | Confident | 73.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -64.3 | 136.9 | -177.2 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | L1017 L1096 I1097 H1098 F1119 | L1017-T1122 HydrophobicContact CD1-CG2 3.81Å; L1017-T1122 HydrophobicContact CD2-CG2 4.3Å; L1096-T1122 HydrophobicContact CB-CG2 4.03Å; I1097-T1122 WeakPolarHBondContact O-CA 3.33Å; I1097-T1122 WeakPolarHBondContact O-CG2 3.24Å; H1098-T1122 WeakPolarHBondContact O-CA 3.27Å; H1098-T1122 PolarHBondContact O-N 2.8Å; F1119-T1122 HydrophobicContact CD1-CG2 4.23Å; F1119-T1122 WeakPolarHBondContact CD1-OG1 3.4Å; F1119-T1122 WeakPolarHBondContact O-CB 3.45Å; F1119-T1122 PolarHBondContact O-N 3.41Å | ||
| 1123 | R | 80.8 | Confident | 70.9 | Confident | 68 Ų | 68 | 54.8 Ų | 54.8 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153.6 | 177.5 | -65.3 | -63.3 | 179.5 | -81.3 | 5.8 | 111.4 | I1097 G1120 Y1134 | I1097-R1123 PolarHBondContact N-O 2.67Å; I1097-R1123 PolarHBondContact O-N 2.97Å; G1120-R1123 PolarHBondContact O-NH1 2.89Å; G1120-R1123 PolarHBondContact O-NH2 2.75Å; R1123-Y1134 HydrophobicContact CB-CD2 3.92Å; R1123-Y1134 HydrophobicContact CB-CE2 3.96Å; R1123-Y1134 HydrophobicContact CB-CG 4.39Å; R1123-Y1134 HydrophobicContact CG-CD2 4.46Å; R1123-Y1134 HydrophobicContact CG-CE2 4.01Å |
| 1124 | Q | 78.3 | Confident | 68.5 | Low | 112 Ų | 112 | 55.6 Ų | 55.6 | 52% | 0.523 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 135.8 | 176.1 | -171.6 | 164.4 | 62.9 | 0 | 0 | 110.7 | H1095 L1096 | H1095-Q1124 CarbonylContact O-C 3.59Å; H1095-Q1124 WeakPolarHBondContact O-CA 3.42Å; L1096-Q1124 HydrophobicContact CD2-CB 4.03Å; L1096-Q1124 HydrophobicContact CD2-CG 4.47Å |
| 1125 | A | 69.1 | Low | 66 | Low | 11 Ų | 11 | 63.3 Ų | 63.3 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 152.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | H1095 I1097 K1127 A1132 | H1095-A1125 PolarHBondContact O-N 2.77Å; I1097-A1125 HydrophobicContact CD1-CB 3.91Å; I1097-A1125 HydrophobicContact CG1-CB 4.48Å; A1125-K1127 PolarHBondContact O-N 2.81Å; A1125-A1132 HydrophobicContact CB-CB 4.43Å |
| 1126 | A | 58.3 | Low | 63.8 | Low | 50 Ų | 50 | 63.9 Ų | 63.9 | 41% | 0.413 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 121.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N1128 | A1126-N1128 PolarHBondContact O-N 3.05Š|
| 1127 | K | 55.8 | Low | 61.3 | Low | 156 Ų | 156 | 69.9 Ų | 69.9 | 68% | 0.678 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -17.1 | -177.9 | -69.6 | -173.3 | 176.8 | -176.9 | 0 | 114.9 | A1125 | A1125-K1127 PolarHBondContact O-N 2.81Š|
| 1128 | N | 45.6 | Very low | 59.1 | Low | 159 Ų | 159 | 75.8 Ų | 75.8 | 85% | 0.85 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 24.7 | -164 | -63.1 | 13.2 | 0 | 0 | 0 | 112.8 | A1126 | A1126-N1128 PolarHBondContact O-N 3.05Š|
| 1129 | T | 40.2 | Very low | 57.2 | Low | 73 Ų | 73 | 82.9 Ų | 82.9 | 45% | 0.448 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -134.3 | 136.7 | -179 | -34.2 | 0 | 0 | 0 | 0 | 109 | E1131 | T1129-E1131 PolarHBondContact O-N 2.84Š|
| 1130 | S | 40.6 | Very low | 55.6 | Low | 130 Ų | 130 | 86.5 Ų | 86.5 | 91% | 0.909 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -64.7 | -18.8 | -178.2 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1131 | E | 45.5 | Very low | 54.8 | Low | 108 Ų | 108 | 93.3 Ų | 93.3 | 51% | 0.505 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -107.8 | 106.6 | 171.5 | -57.1 | -179.5 | 147.4 | 0 | 0 | 108 | T1129 Y1133 | T1129-E1131 PolarHBondContact O-N 2.84Å; E1131-Y1133 HydrophobicContact CB-CD1 3.64Å; E1131-Y1133 HydrophobicContact CB-CE1 3.88Å; E1131-Y1133 VanDerWaalsContact O-CD1 3.31Å; E1131-Y1133 WeakPolarHBondContact O-CD1 3.47Å; E1131-Y1133 PolarHBondContact O-N 2.88Å |
| 1132 | A | 51.8 | Low | 54.8 | Low | 49 Ų | 49 | 94.7 Ų | 94.7 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | trans | -78.8 | 66.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1125 | A1125-A1132 HydrophobicContact CB-CB 4.43Š| ||
| 1133 | Y | 44.6 | Very low | 55 | Low | 87 Ų | 87 | 95.4 Ų | 95.4 | 34% | 0.341 | 48% | 0.482 | S | S | . | . | trans | -110.6 | 164.5 | 178.1 | 71.1 | -96.2 | 0 | 0 | 0 | 113.6 | E1131 R1135 V1156 F1157 | E1131-Y1133 HydrophobicContact CB-CD1 3.64Å; E1131-Y1133 HydrophobicContact CB-CE1 3.88Å; E1131-Y1133 VanDerWaalsContact O-CD1 3.31Å; E1131-Y1133 WeakPolarHBondContact O-CD1 3.47Å; E1131-Y1133 PolarHBondContact O-N 2.88Å; Y1133-R1135 HydrophobicContact CD2-CB 4.5Å; Y1133-R1135 HydrophobicContact CE2-CB 4.31Å; Y1133-V1156 HydrophobicContact CD2-CG1 4.15Å; Y1133-V1156 HydrophobicContact CG-CG1 4.12Å; Y1133-F1157 CarbonylContact C-O 3.39Å; Y1133-F1157 VanDerWaalsContact CA-O 3.28Å; Y1133-F1157 WeakPolarHBondContact CA-O 3.49Å; Y1133-F1157 WeakPolarHBondContact CB-O 3.21Å | ||
| 1134 | Y | 45.3 | Very low | 55.4 | Low | 53 Ų | 53 | 95.1 Ų | 95.1 | 21% | 0.208 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131.7 | 170.5 | 171.8 | -82.4 | 0 | 0 | 0 | 109 | R1123 F1136 F1157 | R1123-Y1134 HydrophobicContact CB-CD2 3.92Å; R1123-Y1134 HydrophobicContact CB-CE2 3.96Å; R1123-Y1134 HydrophobicContact CB-CG 4.39Å; R1123-Y1134 HydrophobicContact CG-CD2 4.46Å; R1123-Y1134 HydrophobicContact CG-CE2 4.01Å; Y1134-F1136 HydrophobicContact CE1-CB 3.98Å; Y1134-F1136 AromaticContact CE1-CD2 3.98Å; Y1134-F1136 HydrophobicContact CE1-CD2 3.98Å; Y1134-F1136 HydrophobicContact CE1-CG 4.5Å; Y1134-F1157 HydrophobicContact CD1-CD2 4.39Å; Y1134-F1157 PolarHBondContact N-O 3.25Å; Y1134-F1157 PolarHBondContact O-N 2.84Å |
| 1135 | R | 45.4 | Very low | 56 | Low | 162 Ų | 162 | 90.4 Ų | 90.4 | 61% | 0.611 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121.6 | 178 | -167.5 | 172.5 | -174.2 | 160.6 | -0.1 | 110.8 | Y1133 G1155 | Y1133-R1135 HydrophobicContact CD2-CB 4.5Å; Y1133-R1135 HydrophobicContact CE2-CB 4.31Å; R1135-G1155 WeakPolarHBondContact CA-O 3.11Å |
| 1136 | F | 52.6 | Low | 57.2 | Low | 38 Ų | 38 | 90.5 Ų | 90.5 | 17% | 0.167 | 46% | 0.46 | C | S | . | . | trans | -84.4 | 133.1 | -173.6 | -171.6 | -109.5 | 0 | 0 | 0 | 112.8 | Y1134 R1138 C1140 L1142 G1155 F1157 | Y1134-F1136 HydrophobicContact CE1-CB 3.98Å; Y1134-F1136 AromaticContact CE1-CD2 3.98Å; Y1134-F1136 HydrophobicContact CE1-CD2 3.98Å; Y1134-F1136 HydrophobicContact CE1-CG 4.5Å; F1136-R1138 WeakPolarHBondContact CE1-O 3.38Å; F1136-R1138 HydrophobicContact CE2-CB 4.35Å; F1136-R1138 HydrophobicContact CZ-CB 4.1Å; F1136-C1140 HydrophobicContact CE1-CB 4.48Å; F1136-C1140 HydrophobicContact CZ-CB 3.74Å; F1136-L1142 HydrophobicContact CD1-CD1 4.16Å; F1136-L1142 HydrophobicContact CE1-CD1 3.94Å; F1136-L1142 HydrophobicContact CE1-CD2 4.17Å; F1136-L1142 HydrophobicContact CE1-CG 4.36Å; F1136-L1142 HydrophobicContact CZ-CD2 4.18Å; F1136-G1155 PolarHBondContact N-O 3.48Å; F1136-F1157 HydrophobicContact CB-CD2 4.43Å; F1136-F1157 HydrophobicContact CB-CE2 4.04Å | ||
| 1137 | T | 44 | Very low | 58.8 | Low | 126 Ų | 126 | 88.6 Ų | 88.6 | 77% | 0.773 | 44% | 0.443 | S | S | * | . | trans | -133.7 | 2.8 | -170.4 | 51 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1138 | R | 45.3 | Very low | 60.6 | Low | 126 Ų | 126 | 81.2 Ų | 81.2 | 48% | 0.475 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -99.1 | 163 | 175.7 | -74.9 | -170.9 | 175.6 | 174.1 | 0.4 | 111.3 | D1010 F1136 | D1010-R1138 VanDerWaalsContact CG-NH1 3.32Å; D1010-R1138 IonicContact OD1-CZ 3.51Å; D1010-R1138 IonicContact OD1-NH1 2.65Å; D1010-R1138 PolarHBondContact OD1-NH1 2.97Å; D1010-R1138 IonicContact OD1-NH2 3.99Å; D1010-R1138 IonicContact OD2-NH1 2.93Å; D1010-R1138 PolarHBondContact OD2-NH1 2.84Å; F1136-R1138 WeakPolarHBondContact CE1-O 3.38Å; F1136-R1138 HydrophobicContact CE2-CB 4.35Å; F1136-R1138 HydrophobicContact CZ-CB 4.1Å |
| 1139 | K | 45.7 | Very low | 62.8 | Low | 199 Ų | 199 | 73.8 Ų | 73.8 | 87% | 0.865 | 37% | 0.371 | S | S | * | . | trans | -91 | 108 | 163 | -71.7 | -175.8 | 177.6 | -179.5 | 0 | 109 | ||||
| 1140 | C | 51.3 | Low | 65.2 | Low | 77 Ų | 77 | 71 Ų | 71 | 52% | 0.52 | 35% | 0.354 | S | S | . | . | trans | -139.4 | 163 | 175.7 | -161.7 | 0 | 0 | 0 | 0 | 109.3 | F1136 | F1136-C1140 HydrophobicContact CE1-CB 4.48Å; F1136-C1140 HydrophobicContact CZ-CB 3.74Å | ||
| 1141 | E | 56.1 | Low | 67.6 | Low | 148 Ų | 148 | 65 Ų | 65 | 69% | 0.692 | 31% | 0.312 | S | S | * | . | trans | -69.4 | 145.2 | 165 | -72.4 | 163.4 | -153 | 0 | 0 | 109.4 | ||||
| 1142 | L | 73.1 | Confident | 69.4 | Low | 56 Ų | 56 | 61.8 Ų | 61.8 | 29% | 0.293 | 30% | 0.299 | S | S | . | . | trans | -139.4 | 148.6 | -172.9 | -70.2 | 176.3 | 0 | 0 | 0 | 110.5 | F1136 I1144 M1147 | F1136-L1142 HydrophobicContact CD1-CD1 4.16Å; F1136-L1142 HydrophobicContact CE1-CD1 3.94Å; F1136-L1142 HydrophobicContact CE1-CD2 4.17Å; F1136-L1142 HydrophobicContact CE1-CG 4.36Å; F1136-L1142 HydrophobicContact CZ-CD2 4.18Å; L1142-I1144 PolarHBondContact O-N 3.17Å; L1142-M1147 HydrophobicContact CB-SD 3.72Å; L1142-M1147 HydrophobicContact CD1-CE 4.23Å; L1142-M1147 HydrophobicContact CD1-SD 4.35Å | ||
| 1143 | P | 86.6 | Confident | 70.8 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | trans | -81.9 | 61.3 | -173.3 | 35.1 | -38 | 0 | 0 | 0 | 112.3 | R1099 D1100 R1104 R1145 W1146 M1147 | R1099-P1143 WeakPolarHBondContact O-CG 3.39Å; D1100-P1143 HydrophobicContact CB-CG 4.12Å; D1100-P1143 WeakPolarHBondContact OD1-CB 3.33Å; D1100-P1143 WeakPolarHBondContact OD1-CG 3.39Å; R1104-P1143 VanDerWaalsContact NH2-CB 3.3Å; P1143-R1145 PolarHBondContact O-N 3.03Å; P1143-W1146 HydrophobicContact CB-CE3 4.47Å; P1143-W1146 PolarHBondContact O-N 2.99Å; P1143-M1147 HydrophobicContact CG-CG 4.09Å; P1143-M1147 PolarHBondContact O-N 2.89Å | ||
| 1144 | I | 87.4 | Confident | 72.6 | Confident | 62 Ų | 62 | 65.4 Ų | 65.4 | 32% | 0.318 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.3 | -43.9 | -167.2 | -69.7 | 170.9 | 0 | 0 | 0 | 114.6 | L1142 W1146 M1147 V1190 | L1142-I1144 PolarHBondContact O-N 3.17Å; I1144-W1146 PolarHBondContact O-N 3.39Å; I1144-M1147 PolarHBondContact O-N 3.4Å; I1144-V1190 HydrophobicContact CG2-CG2 3.42Å; I1144-V1190 VanDerWaalsContact CG2-CG2 3.42Å |
| 1145 | R | 92.1 | Very high | 74.2 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 5% | 0.053 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -13.9 | -176.6 | -62.2 | -178.9 | 179.8 | -117.6 | -6.1 | 115.6 | P1143 F1179 P1180 Y1181 L1184 D1186 V1189 | P1143-R1145 PolarHBondContact O-N 3.03Å; R1145-F1179 VanDerWaalsContact CD-CE1 3.44Å; R1145-P1180 HydrophobicContact CB-CB 4.42Å; R1145-P1180 WeakPolarHBondContact CD-O 3.45Å; R1145-P1180 PolarHBondContact NH1-O 3.19Å; R1145-Y1181 HydrophobicContact CB-CD2 4.27Å; R1145-Y1181 HydrophobicContact CB-CE2 4.49Å; R1145-Y1181 HydrophobicContact CG-CD2 4.41Å; R1145-Y1181 PolarHBondContact NH1-O 2.98Å; R1145-L1184 PolarHBondContact NH1-O 2.7Å; R1145-L1184 PolarHBondContact NH2-O 2.76Å; R1145-D1186 IonicContact CZ-OD1 3.58Å; R1145-D1186 IonicContact NE-OD1 3.91Å; R1145-D1186 PolarHBondContact NE-OD1 3.46Å; R1145-D1186 IonicContact NH2-OD1 2.73Å; R1145-D1186 PolarHBondContact NH2-OD1 3.41Å; R1145-V1189 HydrophobicContact CG-CG1 4.48Å |
| 1146 | W | 94.6 | Very high | 76 | Confident | 12 Ų | 12 | 57.4 Ų | 57.4 | 5% | 0.045 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -14 | 172 | -67.5 | -104.1 | 0 | 0 | 0 | 111.7 | A1102 R1104 P1143 I1144 W1164 S1165 I1168 E1172 F1179 P1180 | A1102-W1146 HydrophobicContact CB-CD2 4.12Å; A1102-W1146 HydrophobicContact CB-CG 4.05Å; A1102-W1146 HydrophobicContact CB-CZ2 4.38Å; A1102-W1146 VanDerWaalsContact CB-NE1 3.3Å; R1104-W1146 VanDerWaalsContact NH1-CZ2 3.31Å; P1143-W1146 HydrophobicContact CB-CE3 4.47Å; P1143-W1146 PolarHBondContact O-N 2.99Å; I1144-W1146 PolarHBondContact O-N 3.39Å; W1146-W1164 VanDerWaalsContact O-CD1 3.22Å; W1146-S1165 WeakPolarHBondContact O-CA 3.37Å; W1146-S1165 PolarHBondContact O-OG 3.11Å; W1146-S1165 VanDerWaalsContact O-OG 3.08Å; W1146-I1168 HydrophobicContact CD2-CG2 4.41Å; W1146-I1168 HydrophobicContact CG-CB 4.41Å; W1146-I1168 HydrophobicContact CG-CG2 3.99Å; W1146-E1172 PolarHBondContact NE1-OE2 2.84Å; W1146-F1179 HydrophobicContact CH2-CD2 4.17Å; W1146-F1179 AromaticContact CH2-CE2 3.76Å; W1146-F1179 HydrophobicContact CH2-CE2 3.76Å; W1146-F1179 HydrophobicContact CH2-CZ 4.46Å; W1146-F1179 HydrophobicContact CZ3-CE2 4.32Å; W1146-P1180 HydrophobicContact CH2-CG 4.27Å; W1146-P1180 HydrophobicContact CZ2-CG 3.77Å |
| 1147 | M | 92.4 | Very high | 77.7 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 5% | 0.054 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -71.6 | 145.3 | 178.4 | -68.3 | 171.8 | 60.4 | 0 | 0 | 112.4 | L1142 P1143 I1144 A1151 V1152 F1157 W1164 | L1142-M1147 HydrophobicContact CB-SD 3.72Å; L1142-M1147 HydrophobicContact CD1-CE 4.23Å; L1142-M1147 HydrophobicContact CD1-SD 4.35Å; P1143-M1147 HydrophobicContact CG-CG 4.09Å; P1143-M1147 PolarHBondContact O-N 2.89Å; I1144-M1147 PolarHBondContact O-N 3.4Å; M1147-A1151 HydrophobicContact CB-CB 4.25Å; M1147-A1151 VanDerWaalsContact CE-C 3.45Å; M1147-A1151 HydrophobicContact CE-CB 3.9Å; M1147-A1151 WeakPolarHBondContact CE-O 3.46Å; M1147-V1152 HydrophobicContact CB-CG2 3.58Å; M1147-V1152 HydrophobicContact CE-CG2 4Å; M1147-F1157 HydrophobicContact CE-CE1 4.3Å; M1147-F1157 HydrophobicContact CE-CZ 3.79Å; M1147-F1157 HydrophobicContact CG-CE1 4.39Å; M1147-W1164 PolarHBondContact O-NE1 3.48Å |
| 1148 | S | 93.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -76.9 | 161.1 | 173.8 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | E1150 A1151 V1152 S1161 | S1148-E1150 VanDerWaalsContact C-N 3.29Å; S1148-E1150 WeakPolarHBondContact CB-OE1 3.49Å; S1148-E1150 PolarHBondContact O-N 2.79Å; S1148-E1150 PolarHBondContact OG-OE1 2.89Å; S1148-E1150 PolarHBondContact OG-OE2 3.23Å; S1148-A1151 PolarHBondContact O-N 3.18Å; S1148-A1151 WeakPolarHBondContact OG-CB 3.45Å; S1148-V1152 WeakPolarHBondContact O-CG2 3.34Å; S1148-V1152 PolarHBondContact O-N 3.29Å; S1148-S1161 WeakPolarHBondContact OG-CB 3.48Å | ||
| 1149 | P | 91.5 | Very high | 82.2 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -52.4 | -43.3 | 179.8 | -26.3 | 33 | 0 | 0 | 0 | 113.5 | V1152 Q1153 W1164 V1193 | P1149-V1152 PolarHBondContact O-N 3.21Å; P1149-Q1153 WeakPolarHBondContact O-CB 3.11Å; P1149-Q1153 PolarHBondContact O-N 3.04Å; P1149-W1164 HydrophobicContact CG-CH2 3.85Å; P1149-W1164 HydrophobicContact CG-CZ2 4.37Å; P1149-W1164 HydrophobicContact CG-CZ3 3.93Å; P1149-V1193 HydrophobicContact CG-CG1 3.92Å |
| 1150 | E | 91.1 | Very high | 84.6 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.7 | -30.7 | 179.2 | 70.9 | -70.8 | 166.5 | 0 | 0 | 113.7 | S1148 F1154 G1155 V1156 R1228 | S1148-E1150 VanDerWaalsContact C-N 3.29Å; S1148-E1150 WeakPolarHBondContact CB-OE1 3.49Å; S1148-E1150 PolarHBondContact O-N 2.79Å; S1148-E1150 PolarHBondContact OG-OE1 2.89Å; S1148-E1150 PolarHBondContact OG-OE2 3.23Å; E1150-F1154 HydrophobicContact CB-CD2 4.21Å; E1150-F1154 WeakPolarHBondContact O-CB 3.4Å; E1150-F1154 PolarHBondContact O-N 3.34Å; E1150-G1155 PolarHBondContact O-N 2.95Å; E1150-V1156 PolarHBondContact O-N 2.99Å; E1150-R1228 IonicContact OE1-CZ 2.76Å; E1150-R1228 IonicContact OE1-NH1 3.79Å; E1150-R1228 PolarHBondContact OE1-NH1 3.05Å; E1150-R1228 IonicContact OE1-NH2 3.03Å; E1150-R1228 IonicContact OE2-CZ 3.72Å; E1150-R1228 IonicContact OE2-NH1 2.71Å; E1150-R1228 PolarHBondContact OE2-NH1 2.77Å; E1150-R1228 IonicContact OE2-NH2 2.87Å; E1150-R1228 PolarHBondContact OE2-NH2 3.21Å |
| 1151 | A | 89 | Confident | 86.6 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.1 | -40.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1147 S1148 G1155 V1156 F1157 | M1147-A1151 HydrophobicContact CB-CB 4.25Å; M1147-A1151 VanDerWaalsContact CE-C 3.45Å; M1147-A1151 HydrophobicContact CE-CB 3.9Å; M1147-A1151 WeakPolarHBondContact CE-O 3.46Å; S1148-A1151 PolarHBondContact O-N 3.18Å; S1148-A1151 WeakPolarHBondContact OG-CB 3.45Å; A1151-G1155 VanDerWaalsContact O-CA 3.25Å; A1151-G1155 WeakPolarHBondContact O-CA 3.49Å; A1151-G1155 PolarHBondContact O-N 3.45Å; A1151-G1155 VanDerWaalsContact O-N 3.12Å; A1151-V1156 WeakPolarHBondContact CA-O 3.42Å; A1151-V1156 WeakPolarHBondContact CB-O 3.25Å; A1151-V1156 PolarHBondContact N-O 3.19Å; A1151-F1157 HydrophobicContact CB-CD1 3.96Å; A1151-F1157 HydrophobicContact CB-CE1 3.83Å; A1151-F1157 HydrophobicContact CB-CE2 4.48Å; A1151-F1157 HydrophobicContact CB-CG 4.37Å; A1151-F1157 HydrophobicContact CB-CZ 4.12Å |
| 1152 | V | 84.3 | Confident | 88.6 | Confident | 41 Ų | 41 | 27.8 Ų | 27.8 | 25% | 0.248 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.8 | -43.2 | 176.3 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | M1147 S1148 P1149 V1190 K1194 | M1147-V1152 HydrophobicContact CB-CG2 3.58Å; M1147-V1152 HydrophobicContact CE-CG2 4Å; S1148-V1152 WeakPolarHBondContact O-CG2 3.34Å; S1148-V1152 PolarHBondContact O-N 3.29Å; P1149-V1152 PolarHBondContact O-N 3.21Å; V1152-V1190 HydrophobicContact CG1-CB 4.27Å; V1152-V1190 HydrophobicContact CG1-CG1 3.7Å; V1152-V1190 HydrophobicContact CG1-CG2 3.87Å; V1152-K1194 HydrophobicContact CG1-CD 4.32Å |
| 1153 | Q | 82 | Confident | 89.7 | Confident | 93 Ų | 93 | 25.1 Ų | 25.1 | 44% | 0.435 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -85.5 | -31.3 | -171 | -171.7 | 172.1 | -9.6 | 0 | 0 | 113.8 | P1149 K1194 | P1149-Q1153 WeakPolarHBondContact O-CB 3.11Å; P1149-Q1153 PolarHBondContact O-N 3.04Å; Q1153-K1194 HydrophobicContact CB-CG 4.45Å |
| 1154 | F | 81.8 | Confident | 90.2 | Very high | 119 Ų | 119 | 24.9 Ų | 24.9 | 52% | 0.522 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -126.8 | -3.8 | -173.2 | -51.6 | -67.2 | 0 | 0 | 0 | 114.2 | E1150 V1156 | E1150-F1154 HydrophobicContact CB-CD2 4.21Å; E1150-F1154 WeakPolarHBondContact O-CB 3.4Å; E1150-F1154 PolarHBondContact O-N 3.34Å; F1154-V1156 HydrophobicContact CB-CB 4.36Å; F1154-V1156 HydrophobicContact CB-CG2 3.73Å; F1154-V1156 PolarHBondContact O-N 3.14Å |
| 1155 | G | 79.2 | Confident | 90.7 | Very high | 15 Ų | 15 | 22.1 Ų | 22.1 | 16% | 0.155 | 11% | 0.113 | C | C | . | . | trans | 68 | 22.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1135 F1136 E1150 A1151 | R1135-G1155 WeakPolarHBondContact CA-O 3.11Å; F1136-G1155 PolarHBondContact N-O 3.48Å; E1150-G1155 PolarHBondContact O-N 2.95Å; A1151-G1155 VanDerWaalsContact O-CA 3.25Å; A1151-G1155 WeakPolarHBondContact O-CA 3.49Å; A1151-G1155 PolarHBondContact O-N 3.45Å; A1151-G1155 VanDerWaalsContact O-N 3.12Å | ||
| 1156 | V | 83.5 | Confident | 91 | Very high | 32 Ų | 32 | 21.6 Ų | 21.6 | 19% | 0.194 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117 | -175.1 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | Y1133 E1150 A1151 F1154 | Y1133-V1156 HydrophobicContact CD2-CG1 4.15Å; Y1133-V1156 HydrophobicContact CG-CG1 4.12Å; E1150-V1156 PolarHBondContact O-N 2.99Å; A1151-V1156 WeakPolarHBondContact CA-O 3.42Å; A1151-V1156 WeakPolarHBondContact CB-O 3.25Å; A1151-V1156 PolarHBondContact N-O 3.19Å; F1154-V1156 HydrophobicContact CB-CB 4.36Å; F1154-V1156 HydrophobicContact CB-CG2 3.73Å; F1154-V1156 PolarHBondContact O-N 3.14Å |
| 1157 | F | 87.5 | Confident | 91.1 | Very high | 3 Ų | 3 | 21 Ų | 21 | 1% | 0.013 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 141.2 | 176.7 | -65.5 | -96.1 | 0 | 0 | 0 | 110.4 | I1097 R1099 Y1133 Y1134 F1136 M1147 A1151 S1161 | I1097-F1157 HydrophobicContact CG2-CB 4.26Å; R1099-F1157 HydrophobicContact CB-CD1 3.6Å; R1099-F1157 HydrophobicContact CB-CE1 3.69Å; R1099-F1157 HydrophobicContact CB-CG 4.31Å; R1099-F1157 HydrophobicContact CB-CZ 4.48Å; R1099-F1157 HydrophobicContact CG-CB 4.01Å; R1099-F1157 HydrophobicContact CG-CD1 3.61Å; R1099-F1157 HydrophobicContact CG-CE1 4.15Å; R1099-F1157 HydrophobicContact CG-CG 3.84Å; Y1133-F1157 CarbonylContact C-O 3.39Å; Y1133-F1157 VanDerWaalsContact CA-O 3.28Å; Y1133-F1157 WeakPolarHBondContact CA-O 3.49Å; Y1133-F1157 WeakPolarHBondContact CB-O 3.21Å; Y1134-F1157 HydrophobicContact CD1-CD2 4.39Å; Y1134-F1157 PolarHBondContact N-O 3.25Å; Y1134-F1157 PolarHBondContact O-N 2.84Å; F1136-F1157 HydrophobicContact CB-CD2 4.43Å; F1136-F1157 HydrophobicContact CB-CE2 4.04Å; M1147-F1157 HydrophobicContact CE-CE1 4.3Å; M1147-F1157 HydrophobicContact CE-CZ 3.79Å; M1147-F1157 HydrophobicContact CG-CE1 4.39Å; A1151-F1157 HydrophobicContact CB-CD1 3.96Å; A1151-F1157 HydrophobicContact CB-CE1 3.83Å; A1151-F1157 HydrophobicContact CB-CE2 4.48Å; A1151-F1157 HydrophobicContact CB-CG 4.37Å; A1151-F1157 HydrophobicContact CB-CZ 4.12Å; F1157-S1161 WeakPolarHBondContact CA-OG 3.39Å |
| 1158 | S | 90.9 | Very high | 91.4 | Very high | 9 Ų | 9 | 20.5 Ų | 20.5 | 6% | 0.063 | 11% | 0.106 | C | C | . | . | trans | -150.4 | 177.7 | -178.3 | 71.2 | 0 | 0 | 0 | 0 | 111.3 | Q1160 S1161 D1162 | S1158-Q1160 PolarHBondContact O-N 3.49Å; S1158-Q1160 PolarHBondContact OG-N 3.17Å; S1158-Q1160 VanDerWaalsContact OG-N 3.16Å; S1158-Q1160 PolarHBondContact OG-OE1 2.69Å; S1158-S1161 PolarHBondContact N-OG 3.45Å; S1158-S1161 PolarHBondContact O-N 3.14Å; S1158-S1161 PolarHBondContact O-OG 2.83Å; S1158-S1161 PolarHBondContact OG-N 3.39Å; S1158-D1162 PolarHBondContact O-N 3.31Å | ||
| 1159 | I | 93.9 | Very high | 91.6 | Very high | 46 Ų | 46 | 20.5 Ų | 20.5 | 24% | 0.236 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -51.1 | -40.8 | 167.8 | -72.6 | 173.2 | 0 | 0 | 0 | 111 | H1092 S1161 D1162 I1163 | H1092-I1159 HydrophobicContact CB-CD1 4.15Å; H1092-I1159 HydrophobicContact CB-CG1 4.17Å; I1159-S1161 VanDerWaalsContact C-N 3.33Å; I1159-S1161 PolarHBondContact O-N 3.37Å; I1159-D1162 PolarHBondContact O-N 3.43Å; I1159-I1163 HydrophobicContact CG2-CD1 3.85Å; I1159-I1163 WeakPolarHBondContact O-CG1 3.48Å; I1159-I1163 PolarHBondContact O-N 3.45Å |
| 1160 | Q | 95 | Very high | 91.8 | Very high | 32 Ų | 32 | 20.4 Ų | 20.4 | 15% | 0.15 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -74.2 | -20.1 | -178.9 | -62.1 | 74 | 26 | 0 | 0 | 112.9 | S1158 W1164 W1225 R1228 S1230 | S1158-Q1160 PolarHBondContact O-N 3.49Å; S1158-Q1160 PolarHBondContact OG-N 3.17Å; S1158-Q1160 VanDerWaalsContact OG-N 3.16Å; S1158-Q1160 PolarHBondContact OG-OE1 2.69Å; Q1160-W1164 PolarHBondContact O-N 3.1Å; Q1160-W1164 VanDerWaalsContact O-N 3.17Å; Q1160-W1225 HydrophobicContact CB-CB 4.16Å; Q1160-W1225 HydrophobicContact CB-CE3 4.42Å; Q1160-W1225 HydrophobicContact CG-CE3 4.19Å; Q1160-R1228 WeakPolarHBondContact O-CD 3.33Å; Q1160-R1228 PolarHBondContact O-NH1 3.43Å; Q1160-S1230 PolarHBondContact NE2-O 3.12Å |
| 1161 | S | 94.3 | Very high | 92 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -77.4 | -34.2 | 169 | 70.4 | 0 | 0 | 0 | 0 | 112.6 | S1148 F1157 S1158 I1159 W1164 S1165 | S1148-S1161 WeakPolarHBondContact OG-CB 3.48Å; F1157-S1161 WeakPolarHBondContact CA-OG 3.39Å; S1158-S1161 PolarHBondContact N-OG 3.45Å; S1158-S1161 PolarHBondContact O-N 3.14Å; S1158-S1161 PolarHBondContact O-OG 2.83Å; S1158-S1161 PolarHBondContact OG-N 3.39Å; I1159-S1161 VanDerWaalsContact C-N 3.33Å; I1159-S1161 PolarHBondContact O-N 3.37Å; S1161-W1164 PolarHBondContact O-N 3.25Å; S1161-S1165 PolarHBondContact O-N 3.28Å; S1161-S1165 PolarHBondContact O-OG 3.28Å |
| 1162 | D | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.4 | -35.7 | 170.8 | -77.6 | -10.1 | 0 | 0 | 0 | 111.2 | L1088 H1092 I1097 H1098 R1099 S1158 I1159 S1165 F1166 | L1088-D1162 HydrophobicContact CD2-CB 3.94Å; H1092-D1162 IonicContact CD2-OD2 2.72Å; H1092-D1162 IonicContact CE1-OD2 3.13Å; H1092-D1162 WeakPolarHBondContact NE2-CB 3.48Å; H1092-D1162 IonicContact NE2-OD2 2.75Å; H1092-D1162 PolarHBondContact NE2-OD2 2.79Å; I1097-D1162 WeakPolarHBondContact CA-OD2 3.38Å; I1097-D1162 WeakPolarHBondContact CG2-OD2 3.02Å; H1098-D1162 PolarHBondContact N-OD1 3.31Å; H1098-D1162 PolarHBondContact N-OD2 3Å; R1099-D1162 PolarHBondContact N-OD1 3.05Å; S1158-D1162 PolarHBondContact O-N 3.31Å; I1159-D1162 PolarHBondContact O-N 3.43Å; D1162-S1165 WeakPolarHBondContact O-CB 3.48Å; D1162-S1165 PolarHBondContact O-N 2.92Å; D1162-F1166 WeakPolarHBondContact O-CB 3.26Å; D1162-F1166 PolarHBondContact O-N 2.97Å |
| 1163 | I | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.7 | -38.3 | 174.7 | -70.6 | 167.5 | 0 | 0 | 0 | 111.8 | I1159 F1166 G1167 C1220 R1228 P1229 M1232 V1235 | I1159-I1163 HydrophobicContact CG2-CD1 3.85Å; I1159-I1163 WeakPolarHBondContact O-CG1 3.48Å; I1159-I1163 PolarHBondContact O-N 3.45Å; I1163-F1166 WeakPolarHBondContact O-CB 3.38Å; I1163-F1166 PolarHBondContact O-N 3.07Å; I1163-G1167 PolarHBondContact O-N 2.93Å; I1163-C1220 HydrophobicContact CG2-CB 4.29Å; I1163-R1228 HydrophobicContact CG2-CB 4.4Å; I1163-P1229 WeakPolarHBondContact CD1-O 3.29Å; I1163-P1229 HydrophobicContact CG2-CB 4.42Å; I1163-P1229 HydrophobicContact CG2-CG 4.39Å; I1163-M1232 HydrophobicContact CB-CE 4.49Å; I1163-M1232 HydrophobicContact CG1-CE 3.64Å; I1163-V1235 HydrophobicContact CG2-CG2 4.5Å |
| 1164 | W | 97.1 | Very high | 93.5 | Very high | 11 Ų | 11 | 13.5 Ų | 13.5 | 4% | 0.042 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.6 | -48.9 | 169.8 | 172.5 | -73.5 | 0 | 0 | 0 | 111.1 | W1146 M1147 P1149 Q1160 S1161 F1166 G1167 I1168 V1193 C1220 C1221 | W1146-W1164 VanDerWaalsContact O-CD1 3.22Å; M1147-W1164 PolarHBondContact O-NE1 3.48Å; P1149-W1164 HydrophobicContact CG-CH2 3.85Å; P1149-W1164 HydrophobicContact CG-CZ2 4.37Å; P1149-W1164 HydrophobicContact CG-CZ3 3.93Å; Q1160-W1164 PolarHBondContact O-N 3.1Å; Q1160-W1164 VanDerWaalsContact O-N 3.17Å; S1161-W1164 PolarHBondContact O-N 3.25Å; W1164-F1166 PolarHBondContact O-N 3.48Å; W1164-G1167 WeakPolarHBondContact O-CA 3.37Å; W1164-G1167 PolarHBondContact O-N 2.81Å; W1164-I1168 PolarHBondContact O-N 2.92Å; W1164-I1168 VanDerWaalsContact O-N 3.09Å; W1164-V1193 HydrophobicContact CH2-CG1 4.05Å; W1164-V1193 HydrophobicContact CZ2-CG1 3.96Å; W1164-C1220 WeakPolarHBondContact CA-O 3.46Å; W1164-C1221 HydrophobicContact CE3-CB 4.14Å; W1164-C1221 HydrophobicContact CZ3-CB 4.14Å; W1164-C1221 WeakPolarHBondContact CZ3-O 3.36Å |
| 1165 | S | 97.3 | Very high | 94 | Very high | 4 Ų | 4 | 8 Ų | 8 | 3% | 0.028 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -56.9 | -37.3 | 176.7 | -52.6 | 0 | 0 | 0 | 0 | 112.4 | W1146 S1161 D1162 I1168 T1169 | W1146-S1165 WeakPolarHBondContact O-CA 3.37Å; W1146-S1165 PolarHBondContact O-OG 3.11Å; W1146-S1165 VanDerWaalsContact O-OG 3.08Å; S1161-S1165 PolarHBondContact O-N 3.28Å; S1161-S1165 PolarHBondContact O-OG 3.28Å; D1162-S1165 WeakPolarHBondContact O-CB 3.48Å; D1162-S1165 PolarHBondContact O-N 2.92Å; S1165-I1168 PolarHBondContact O-N 3.03Å; S1165-T1169 PolarHBondContact O-N 3.2Å; S1165-T1169 PolarHBondContact O-OG1 3.04Å |
| 1166 | F | 98.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 7.3 Ų | 7.3 | 1% | 0.009 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64.8 | -39.9 | 172.5 | -176.9 | -92.4 | 0 | 0 | 0 | 112.3 | I1084 L1088 D1162 I1163 W1164 I1168 T1169 L1170 M1232 V1235 L1239 | I1084-F1166 HydrophobicContact CB-CE2 3.97Å; I1084-F1166 HydrophobicContact CG2-CD2 3.79Å; I1084-F1166 HydrophobicContact CG2-CE2 3.73Å; L1088-F1166 HydrophobicContact CD1-CB 4.33Å; L1088-F1166 HydrophobicContact CD1-CD2 3.97Å; D1162-F1166 WeakPolarHBondContact O-CB 3.26Å; D1162-F1166 PolarHBondContact O-N 2.97Å; I1163-F1166 WeakPolarHBondContact O-CB 3.38Å; I1163-F1166 PolarHBondContact O-N 3.07Å; W1164-F1166 PolarHBondContact O-N 3.48Å; F1166-I1168 VanDerWaalsContact C-N 3.34Å; F1166-I1168 PolarHBondContact O-N 2.83Å; F1166-T1169 CarbonylContact O-C 3.59Å; F1166-T1169 WeakPolarHBondContact O-CA 3.06Å; F1166-T1169 WeakPolarHBondContact O-CB 3.4Å; F1166-T1169 PolarHBondContact O-N 2.92Å; F1166-L1170 HydrophobicContact CD1-CD1 4.09Å; F1166-L1170 HydrophobicContact CD1-CG 4.07Å; F1166-L1170 HydrophobicContact CE1-CD1 3.73Å; F1166-L1170 HydrophobicContact CE1-CD2 3.87Å; F1166-L1170 HydrophobicContact CE1-CG 3.71Å; F1166-L1170 HydrophobicContact CZ-CD2 4.02Å; F1166-L1170 HydrophobicContact CZ-CG 4.28Å; F1166-L1170 PolarHBondContact O-N 2.76Å; F1166-M1232 HydrophobicContact CB-CE 3.99Å; F1166-M1232 HydrophobicContact CD1-SD 4.32Å; F1166-M1232 HydrophobicContact CD2-CE 4.31Å; F1166-M1232 HydrophobicContact CD2-SD 4.45Å; F1166-M1232 HydrophobicContact CG-CE 4.04Å; F1166-M1232 HydrophobicContact CG-SD 4.27Å; F1166-V1235 HydrophobicContact CD1-CG1 3.91Å; F1166-V1235 HydrophobicContact CE1-CG1 3.39Å; F1166-V1235 HydrophobicContact CZ-CG1 4.17Å; F1166-L1239 HydrophobicContact CZ-CD1 4.21Å |
| 1167 | G | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -59.4 | -40 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1163 W1164 T1169 L1170 Y1171 | I1163-G1167 PolarHBondContact O-N 2.93Å; W1164-G1167 WeakPolarHBondContact O-CA 3.37Å; W1164-G1167 PolarHBondContact O-N 2.81Å; G1167-T1169 VanDerWaalsContact C-N 3.31Å; G1167-L1170 PolarHBondContact O-N 2.75Å; G1167-Y1171 PolarHBondContact O-N 2.82Å |
| 1168 | I | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -69.2 | -30.5 | 172 | -51.8 | -57.3 | 0 | 0 | 0 | 111.6 | W1146 W1164 S1165 F1166 Y1171 E1172 P1180 I1200 | W1146-I1168 HydrophobicContact CD2-CG2 4.41Å; W1146-I1168 HydrophobicContact CG-CB 4.41Å; W1146-I1168 HydrophobicContact CG-CG2 3.99Å; W1164-I1168 PolarHBondContact O-N 2.92Å; W1164-I1168 VanDerWaalsContact O-N 3.09Å; S1165-I1168 PolarHBondContact O-N 3.03Å; F1166-I1168 VanDerWaalsContact C-N 3.34Å; F1166-I1168 PolarHBondContact O-N 2.83Å; I1168-Y1171 WeakPolarHBondContact O-CB 3.36Å; I1168-Y1171 PolarHBondContact O-N 3.43Å; I1168-E1172 PolarHBondContact O-N 3.39Å; I1168-E1172 VanDerWaalsContact O-N 3.1Å; I1168-P1180 HydrophobicContact CG2-CB 3.79Å; I1168-P1180 HydrophobicContact CG2-CG 3.43Å; I1168-P1180 VanDerWaalsContact CG2-CG 3.43Å; I1168-I1200 HydrophobicContact CD1-CB 3.89Å; I1168-I1200 HydrophobicContact CD1-CD1 4.44Å; I1168-I1200 HydrophobicContact CD1-CG1 3.86Å; I1168-I1200 HydrophobicContact CD1-CG2 3.93Å |
| 1169 | T | 97.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.006 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -70.8 | -40.2 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | I1084 I1101 A1102 S1165 F1166 G1167 Y1171 E1172 I1173 | I1084-T1169 HydrophobicContact CD1-CG2 4.28Å; I1101-T1169 PolarHBondContact O-OG1 3.47Å; A1102-T1169 WeakPolarHBondContact CA-OG1 3.32Å; S1165-T1169 PolarHBondContact O-N 3.2Å; S1165-T1169 PolarHBondContact O-OG1 3.04Å; F1166-T1169 CarbonylContact O-C 3.59Å; F1166-T1169 WeakPolarHBondContact O-CA 3.06Å; F1166-T1169 WeakPolarHBondContact O-CB 3.4Å; F1166-T1169 PolarHBondContact O-N 2.92Å; G1167-T1169 VanDerWaalsContact C-N 3.31Å; T1169-Y1171 VanDerWaalsContact C-N 3.27Å; T1169-Y1171 PolarHBondContact O-N 3.11Å; T1169-E1172 WeakPolarHBondContact O-CB 3.46Å; T1169-E1172 PolarHBondContact O-N 3.43Å; T1169-E1172 VanDerWaalsContact O-N 3.12Å; T1169-I1173 HydrophobicContact CG2-CD1 4.37Å; T1169-I1173 WeakPolarHBondContact O-CG1 3.29Å; T1169-I1173 PolarHBondContact O-N 3.09Å |
| 1170 | L | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -57.8 | -39.8 | 171 | -70.9 | 178.8 | 0 | 0 | 0 | 111.7 | F1166 G1167 I1173 I1174 L1216 I1217 I1246 | F1166-L1170 HydrophobicContact CD1-CD1 4.09Å; F1166-L1170 HydrophobicContact CD1-CG 4.07Å; F1166-L1170 HydrophobicContact CE1-CD1 3.73Å; F1166-L1170 HydrophobicContact CE1-CD2 3.87Å; F1166-L1170 HydrophobicContact CE1-CG 3.71Å; F1166-L1170 HydrophobicContact CZ-CD2 4.02Å; F1166-L1170 HydrophobicContact CZ-CG 4.28Å; F1166-L1170 PolarHBondContact O-N 2.76Å; G1167-L1170 PolarHBondContact O-N 2.75Å; L1170-I1173 PolarHBondContact O-N 3.15Å; L1170-I1174 WeakPolarHBondContact O-CG1 3.42Å; L1170-I1174 PolarHBondContact O-N 3.1Å; L1170-L1216 HydrophobicContact CD1-CD2 3.87Å; L1170-L1216 HydrophobicContact CD1-CG 3.93Å; L1170-I1217 HydrophobicContact CB-CD1 3.99Å; L1170-I1217 HydrophobicContact CB-CG1 3.7Å; L1170-I1217 HydrophobicContact CD1-CG1 4.04Å; L1170-I1246 HydrophobicContact CD2-CD1 3.57Å |
| 1171 | Y | 95.7 | Very high | 94.4 | Very high | 6 Ų | 6 | 6.7 Ų | 6.7 | 2% | 0.024 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -60 | -47 | 172.6 | 173.9 | -84.4 | 0 | 0 | 0 | 111.9 | G1167 I1168 T1169 I1173 T1175 P1180 I1200 F1203 L1204 | G1167-Y1171 PolarHBondContact O-N 2.82Å; I1168-Y1171 WeakPolarHBondContact O-CB 3.36Å; I1168-Y1171 PolarHBondContact O-N 3.43Å; T1169-Y1171 VanDerWaalsContact C-N 3.27Å; T1169-Y1171 PolarHBondContact O-N 3.11Å; Y1171-I1173 VanDerWaalsContact C-N 3.29Å; Y1171-I1173 PolarHBondContact O-N 3.2Å; Y1171-T1175 HydrophobicContact CD1-CG2 4.5Å; Y1171-T1175 HydrophobicContact CD2-CG2 4.31Å; Y1171-T1175 HydrophobicContact CE1-CG2 4.2Å; Y1171-T1175 HydrophobicContact CE2-CG2 4.01Å; Y1171-T1175 WeakPolarHBondContact O-CB 3.41Å; Y1171-T1175 WeakPolarHBondContact O-CG2 3.26Å; Y1171-T1175 PolarHBondContact O-N 3.13Å; Y1171-T1175 VanDerWaalsContact O-N 3.14Å; Y1171-T1175 PolarHBondContact O-OG1 3.46Å; Y1171-P1180 HydrophobicContact CD1-CG 4.39Å; Y1171-I1200 HydrophobicContact CD1-CD1 4.15Å; Y1171-I1200 HydrophobicContact CD1-CG1 4.45Å; Y1171-I1200 HydrophobicContact CD2-CD1 3.92Å; Y1171-I1200 HydrophobicContact CD2-CG1 3.68Å; Y1171-I1200 HydrophobicContact CE1-CD1 4.22Å; Y1171-I1200 HydrophobicContact CE2-CD1 3.98Å; Y1171-I1200 HydrophobicContact CE2-CG1 4.18Å; Y1171-I1200 HydrophobicContact CG-CD1 4.02Å; Y1171-I1200 HydrophobicContact CG-CG1 3.85Å; Y1171-F1203 HydrophobicContact CE2-CB 4.04Å; Y1171-F1203 VanDerWaalsContact CE2-O 3.31Å; Y1171-F1203 WeakPolarHBondContact CE2-O 3.46Å; Y1171-F1203 PolarHBondContact OH-O 3.38Å; Y1171-L1204 HydrophobicContact CD2-CD2 3.64Å; Y1171-L1204 HydrophobicContact CD2-CG 4.38Å; Y1171-L1204 HydrophobicContact CE2-CD2 4Å |
| 1172 | E | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.2 | -37.6 | 175 | -72.2 | -167.9 | 100 | 0 | 0 | 112.4 | K1053 C1103 W1146 I1168 T1169 F1176 G1177 P1180 | K1053-E1172 IonicContact NZ-OE1 2.67Å; K1053-E1172 PolarHBondContact NZ-OE1 2.96Å; C1103-E1172 HydrophobicContact CB-CB 4.15Å; C1103-E1172 PolarHBondContact N-OE2 2.92Å; C1103-E1172 VanDerWaalsContact SG-CB 3.51Å; W1146-E1172 PolarHBondContact NE1-OE2 2.84Å; I1168-E1172 PolarHBondContact O-N 3.39Å; I1168-E1172 VanDerWaalsContact O-N 3.1Å; T1169-E1172 WeakPolarHBondContact O-CB 3.46Å; T1169-E1172 PolarHBondContact O-N 3.43Å; T1169-E1172 VanDerWaalsContact O-N 3.12Å; E1172-F1176 PolarHBondContact O-N 2.8Å; E1172-G1177 PolarHBondContact O-N 3.27Å; E1172-P1180 HydrophobicContact CG-CG 4.25Å |
| 1173 | I | 96.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.8 | -56.3 | 179.7 | -66.8 | 170.8 | 0 | 0 | 0 | 111 | L1052 L1056 L1077 S1081 I1084 T1169 L1170 Y1171 T1175 F1176 I1246 | L1052-I1173 HydrophobicContact CD2-CD1 4.07Å; L1052-I1173 HydrophobicContact CD2-CG1 4.14Å; L1056-I1173 HydrophobicContact CD1-CB 4.42Å; L1056-I1173 HydrophobicContact CD1-CG1 4.18Å; L1077-I1173 HydrophobicContact CB-CG2 4.44Å; L1077-I1173 HydrophobicContact CD2-CG2 4.42Å; S1081-I1173 WeakPolarHBondContact OG-CD1 3.15Å; I1084-I1173 HydrophobicContact CD1-CD1 4.16Å; T1169-I1173 HydrophobicContact CG2-CD1 4.37Å; T1169-I1173 WeakPolarHBondContact O-CG1 3.29Å; T1169-I1173 PolarHBondContact O-N 3.09Å; L1170-I1173 PolarHBondContact O-N 3.15Å; Y1171-I1173 VanDerWaalsContact C-N 3.29Å; Y1171-I1173 PolarHBondContact O-N 3.2Å; I1173-T1175 VanDerWaalsContact C-N 3.32Å; I1173-T1175 PolarHBondContact O-N 3.46Å; I1173-F1176 VanDerWaalsContact O-CD2 3.31Å; I1173-F1176 WeakPolarHBondContact O-CD2 3.23Å; I1173-F1176 PolarHBondContact O-N 2.86Å; I1173-F1176 VanDerWaalsContact O-N 3.17Å; I1173-I1246 HydrophobicContact CG2-CG2 3.76Å |
| 1174 | I | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68 | -31.2 | -175.2 | 63.8 | -174.8 | 0 | 0 | 0 | 113.3 | L1170 F1176 L1204 V1213 I1217 I1246 F1249 | L1170-I1174 WeakPolarHBondContact O-CG1 3.42Å; L1170-I1174 PolarHBondContact O-N 3.1Å; I1174-F1176 VanDerWaalsContact C-N 3.29Å; I1174-F1176 PolarHBondContact O-N 3.38Å; I1174-L1204 HydrophobicContact CD1-CD2 3.67Å; I1174-V1213 HydrophobicContact CD1-CG1 4.27Å; I1174-V1213 HydrophobicContact CD1-CG2 4.28Å; I1174-V1213 HydrophobicContact CG2-CG1 4.27Å; I1174-V1213 HydrophobicContact CG2-CG2 3.94Å; I1174-I1217 HydrophobicContact CD1-CD1 3.69Å; I1174-I1246 HydrophobicContact CG2-CG2 3.64Å; I1174-F1249 HydrophobicContact CB-CD2 4.06Å; I1174-F1249 HydrophobicContact CD1-CD2 4.3Å; I1174-F1249 HydrophobicContact CG2-CD2 4.49Å; I1174-F1249 PolarHBondContact O-N 3.01Å |
| 1175 | T | 92.2 | Very high | 91.5 | Very high | 5 Ų | 5 | 17.2 Ų | 17.2 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -3.4 | 177.5 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | R1060 Y1171 I1173 V1178 | R1060-T1175 PolarHBondContact NH1-O 3.5Å; Y1171-T1175 HydrophobicContact CD1-CG2 4.5Å; Y1171-T1175 HydrophobicContact CD2-CG2 4.31Å; Y1171-T1175 HydrophobicContact CE1-CG2 4.2Å; Y1171-T1175 HydrophobicContact CE2-CG2 4.01Å; Y1171-T1175 WeakPolarHBondContact O-CB 3.41Å; Y1171-T1175 WeakPolarHBondContact O-CG2 3.26Å; Y1171-T1175 PolarHBondContact O-N 3.13Å; Y1171-T1175 VanDerWaalsContact O-N 3.14Å; Y1171-T1175 PolarHBondContact O-OG1 3.46Å; I1173-T1175 VanDerWaalsContact C-N 3.32Å; I1173-T1175 PolarHBondContact O-N 3.46Å; T1175-V1178 WeakPolarHBondContact O-CG2 3.35Å |
| 1176 | F | 92 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 59.9 | -174.8 | -82.2 | -124.2 | 0 | 0 | 0 | 112.3 | L1056 L1057 R1059 R1060 A1063 I1072 L1077 E1172 I1173 I1174 P1248 L1250 | L1056-F1176 HydrophobicContact CB-CD1 4.39Å; L1056-F1176 HydrophobicContact CD2-CD1 4.26Å; L1056-F1176 HydrophobicContact CD2-CD2 4.39Å; L1056-F1176 HydrophobicContact CD2-CE1 4.1Å; L1056-F1176 HydrophobicContact CD2-CE2 4.22Å; L1056-F1176 HydrophobicContact CD2-CG 4.38Å; L1056-F1176 HydrophobicContact CD2-CZ 4.07Å; L1056-F1176 WeakPolarHBondContact O-CD1 3.43Å; L1057-F1176 WeakPolarHBondContact CD2-O 3.04Å; R1059-F1176 HydrophobicContact CB-CE1 4.23Å; R1060-F1176 HydrophobicContact CG-CB 4.36Å; A1063-F1176 HydrophobicContact CB-CD1 4.22Å; A1063-F1176 HydrophobicContact CB-CE1 3.7Å; A1063-F1176 HydrophobicContact CB-CZ 3.91Å; I1072-F1176 HydrophobicContact CB-CE1 4.46Å; I1072-F1176 HydrophobicContact CB-CZ 4.09Å; I1072-F1176 HydrophobicContact CG2-CE1 3.83Å; I1072-F1176 HydrophobicContact CG2-CZ 3.88Å; L1077-F1176 HydrophobicContact CD1-CE2 3.83Å; L1077-F1176 HydrophobicContact CD1-CZ 4.04Å; L1077-F1176 HydrophobicContact CD2-CE2 4.49Å; L1077-F1176 HydrophobicContact CD2-CZ 4.29Å; E1172-F1176 PolarHBondContact O-N 2.8Å; I1173-F1176 VanDerWaalsContact O-CD2 3.31Å; I1173-F1176 WeakPolarHBondContact O-CD2 3.23Å; I1173-F1176 PolarHBondContact O-N 2.86Å; I1173-F1176 VanDerWaalsContact O-N 3.17Å; I1174-F1176 VanDerWaalsContact C-N 3.29Å; I1174-F1176 PolarHBondContact O-N 3.38Å; F1176-P1248 HydrophobicContact CD2-CB 4.08Å; F1176-P1248 HydrophobicContact CE2-CB 3.55Å; F1176-P1248 HydrophobicContact CE2-CG 3.65Å; F1176-P1248 HydrophobicContact CZ-CB 4.06Å; F1176-P1248 HydrophobicContact CZ-CG 3.8Å; F1176-L1250 HydrophobicContact CB-CD2 3.74Å; F1176-L1250 HydrophobicContact CD2-CD2 4.01Å; F1176-L1250 HydrophobicContact CG-CD2 3.86Å |
| 1177 | G | 87.7 | Confident | 90.1 | Very high | 5 Ų | 5 | 26.4 Ų | 26.4 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 84.3 | 9.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | K1053 E1172 | K1053-G1177 WeakPolarHBondContact CE-O 3.2Å; K1053-G1177 PolarHBondContact NZ-O 3.19Å; K1053-G1177 VanDerWaalsContact NZ-O 3.14Å; E1172-G1177 PolarHBondContact O-N 3.27Å |
| 1178 | V | 88 | Confident | 89.7 | Confident | 13 Ų | 13 | 29.8 Ų | 29.8 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 140.7 | 175.7 | 176.6 | 0 | 0 | 0 | 0 | 110 | T1175 N1182 P1255 | T1175-V1178 WeakPolarHBondContact O-CG2 3.35Å; V1178-N1182 HydrophobicContact CG1-CB 4.47Å; V1178-P1255 HydrophobicContact CG2-CB 4.42Å; V1178-P1255 HydrophobicContact CG2-CG 4.31Å |
| 1179 | F | 87.1 | Confident | 89.2 | Confident | 86 Ų | 86 | 30 Ų | 30 | 38% | 0.377 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -73.4 | 128.7 | -176.9 | -162 | -114.5 | 0 | 0 | 0 | 110.7 | R1145 W1146 N1182 | R1145-F1179 VanDerWaalsContact CD-CE1 3.44Å; W1146-F1179 HydrophobicContact CH2-CD2 4.17Å; W1146-F1179 AromaticContact CH2-CE2 3.76Å; W1146-F1179 HydrophobicContact CH2-CE2 3.76Å; W1146-F1179 HydrophobicContact CH2-CZ 4.46Å; W1146-F1179 HydrophobicContact CZ3-CE2 4.32Å; F1179-N1182 PolarHBondContact O-N 3.1Å |
| 1180 | P | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 139.8 | -178.8 | -27.2 | 35.1 | 0 | 0 | 0 | 113.1 | R1145 W1146 I1168 Y1171 E1172 N1182 I1200 | R1145-P1180 HydrophobicContact CB-CB 4.42Å; R1145-P1180 WeakPolarHBondContact CD-O 3.45Å; R1145-P1180 PolarHBondContact NH1-O 3.19Å; W1146-P1180 HydrophobicContact CH2-CG 4.27Å; W1146-P1180 HydrophobicContact CZ2-CG 3.77Å; I1168-P1180 HydrophobicContact CG2-CB 3.79Å; I1168-P1180 HydrophobicContact CG2-CG 3.43Å; I1168-P1180 VanDerWaalsContact CG2-CG 3.43Å; Y1171-P1180 HydrophobicContact CD1-CG 4.39Å; E1172-P1180 HydrophobicContact CG-CG 4.25Å; P1180-N1182 VanDerWaalsContact C-N 3.32Å; P1180-N1182 PolarHBondContact O-N 3.25Å; P1180-I1200 HydrophobicContact CB-CD1 4.13Å |
| 1181 | Y | 91.4 | Very high | 88 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 45.8 | -177.1 | -42.1 | -73.5 | 0 | 0 | 0 | 112.8 | R1145 L1184 V1189 V1193 F1198 I1200 F1203 | R1145-Y1181 HydrophobicContact CB-CD2 4.27Å; R1145-Y1181 HydrophobicContact CB-CE2 4.49Å; R1145-Y1181 HydrophobicContact CG-CD2 4.41Å; R1145-Y1181 PolarHBondContact NH1-O 2.98Å; Y1181-L1184 PolarHBondContact O-N 2.79Å; Y1181-V1189 HydrophobicContact CD2-CG1 3.57Å; Y1181-V1189 HydrophobicContact CD2-CG2 4.21Å; Y1181-V1189 HydrophobicContact CE2-CG1 3.88Å; Y1181-V1189 HydrophobicContact CG-CG1 4.05Å; Y1181-V1189 HydrophobicContact CG-CG2 4.11Å; Y1181-V1193 HydrophobicContact CE1-CG2 4.46Å; Y1181-F1198 HydrophobicContact CD1-CD2 4.05Å; Y1181-F1198 AromaticContact CD1-CE2 3.32Å; Y1181-F1198 HydrophobicContact CD1-CE2 3.32Å; Y1181-F1198 AromaticContact CD1-CZ 3.94Å; Y1181-F1198 HydrophobicContact CD1-CZ 3.94Å; Y1181-F1198 AromaticContact CE1-CD2 3.97Å; Y1181-F1198 HydrophobicContact CE1-CD2 3.97Å; Y1181-F1198 AromaticContact CE1-CE2 3.38Å; Y1181-F1198 HydrophobicContact CE1-CE2 3.38Å; Y1181-F1198 HydrophobicContact CE1-CZ 4.36Å; Y1181-F1198 HydrophobicContact CG-CE2 4.17Å; Y1181-F1198 HydrophobicContact CG-CZ 4.42Å; Y1181-I1200 HydrophobicContact CD1-CD1 3.8Å; Y1181-I1200 HydrophobicContact CD2-CD1 4.49Å; Y1181-I1200 HydrophobicContact CE1-CB 3.75Å; Y1181-I1200 HydrophobicContact CE1-CD1 3.6Å; Y1181-I1200 HydrophobicContact CE1-CG1 4.24Å; Y1181-I1200 HydrophobicContact CE2-CD1 4.34Å; Y1181-I1200 HydrophobicContact CG-CD1 4.26Å; Y1181-F1203 AromaticContact CD1-CD2 3.94Å; Y1181-F1203 HydrophobicContact CD1-CD2 3.94Å; Y1181-F1203 AromaticContact CD1-CE2 3.82Å; Y1181-F1203 HydrophobicContact CD1-CE2 3.82Å; Y1181-F1203 HydrophobicContact CD1-CZ 4.35Å |
| 1182 | N | 81 | Confident | 87.7 | Confident | 89 Ų | 89 | 37.4 Ų | 37.4 | 48% | 0.476 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 138.5 | -179.2 | -168 | 21.6 | 0 | 0 | 0 | 111.5 | V1178 F1179 P1180 | V1178-N1182 HydrophobicContact CG1-CB 4.47Å; F1179-N1182 PolarHBondContact O-N 3.1Å; P1180-N1182 VanDerWaalsContact C-N 3.32Å; P1180-N1182 PolarHBondContact O-N 3.25Å |
| 1183 | G | 79.1 | Confident | 87.3 | Confident | 73 Ų | 73 | 38 Ų | 38 | 75% | 0.753 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | -9.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1184 | L | 85.1 | Confident | 86.7 | Confident | 35 Ų | 35 | 40.8 Ų | 40.8 | 18% | 0.183 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -104.9 | 154.2 | 176 | -56.5 | -172.3 | 0 | 0 | 0 | 112.6 | R1145 Y1181 V1189 F1198 F1203 | R1145-L1184 PolarHBondContact NH1-O 2.7Å; R1145-L1184 PolarHBondContact NH2-O 2.76Å; Y1181-L1184 PolarHBondContact O-N 2.79Å; L1184-V1189 HydrophobicContact CB-CG2 3.87Å; L1184-V1189 HydrophobicContact CD1-CG2 4.39Å; L1184-F1198 HydrophobicContact CD1-CD1 4.13Å; L1184-F1198 HydrophobicContact CD1-CE1 3.22Å; L1184-F1198 HydrophobicContact CD1-CZ 3.61Å; L1184-F1203 HydrophobicContact CD1-CE1 4.38Å; L1184-F1203 HydrophobicContact CD1-CZ 3.82Å; L1184-F1203 HydrophobicContact CG-CE1 4.47Å; L1184-F1203 HydrophobicContact CG-CZ 4.38Å |
| 1185 | G | 80.6 | Confident | 86.3 | Confident | 37 Ų | 37 | 47.8 Ų | 47.8 | 38% | 0.381 | 26% | 0.261 | S | S | . | . | trans | -83.1 | 157.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1187 E1188 V1189 | G1185-V1187 PolarHBondContact O-N 3.27Å; G1185-E1188 PolarHBondContact N-OE2 3.25Å; G1185-E1188 WeakPolarHBondContact O-CA 3.48Å; G1185-E1188 WeakPolarHBondContact O-CB 3.25Å; G1185-E1188 PolarHBondContact O-N 3.07Å; G1185-V1189 WeakPolarHBondContact O-CG2 3.41Å; G1185-V1189 PolarHBondContact O-N 2.77Å | ||
| 1186 | D | 82.5 | Confident | 86 | Confident | 80 Ų | 80 | 53.1 Ų | 53.1 | 43% | 0.428 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | -175.1 | -72.6 | -6.6 | 0 | 0 | 0 | 113.5 | R1145 E1188 V1189 V1190 | R1145-D1186 IonicContact CZ-OD1 3.58Å; R1145-D1186 IonicContact NE-OD1 3.91Å; R1145-D1186 PolarHBondContact NE-OD1 3.46Å; R1145-D1186 IonicContact NH2-OD1 2.73Å; R1145-D1186 PolarHBondContact NH2-OD1 3.41Å; D1186-E1188 VanDerWaalsContact C-N 3.29Å; D1186-E1188 PolarHBondContact O-N 3.3Å; D1186-V1189 PolarHBondContact O-N 2.88Å; D1186-V1190 WeakPolarHBondContact O-CG2 3.33Å; D1186-V1190 PolarHBondContact O-N 2.86Å |
| 1187 | V | 84 | Confident | 85.5 | Confident | 118 Ų | 118 | 57.6 Ų | 57.6 | 72% | 0.715 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65 | -35.6 | 175.5 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | G1185 V1190 E1191 | G1185-V1187 PolarHBondContact O-N 3.27Å; V1187-V1190 PolarHBondContact O-N 3.37Å; V1187-E1191 PolarHBondContact O-N 2.96Å |
| 1188 | E | 88.5 | Confident | 85.3 | Confident | 71 Ų | 71 | 58.5 Ų | 58.5 | 33% | 0.332 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.5 | -40.2 | 178.4 | -173 | 179.8 | -158.2 | 0 | 0 | 111.3 | G1185 D1186 R1192 | G1185-E1188 PolarHBondContact N-OE2 3.25Å; G1185-E1188 WeakPolarHBondContact O-CA 3.48Å; G1185-E1188 WeakPolarHBondContact O-CB 3.25Å; G1185-E1188 PolarHBondContact O-N 3.07Å; D1186-E1188 VanDerWaalsContact C-N 3.29Å; D1186-E1188 PolarHBondContact O-N 3.3Å; E1188-R1192 VanDerWaalsContact CD-NH1 3.31Å; E1188-R1192 WeakPolarHBondContact O-CB 3.48Å; E1188-R1192 WeakPolarHBondContact O-CG 3.22Å; E1188-R1192 PolarHBondContact O-N 3.49Å; E1188-R1192 IonicContact OE1-CZ 2.84Å; E1188-R1192 IonicContact OE1-NH1 3.53Å; E1188-R1192 PolarHBondContact OE1-NH1 3.47Å; E1188-R1192 IonicContact OE1-NH2 2.68Å; E1188-R1192 PolarHBondContact OE1-NH2 2.62Å |
| 1189 | V | 86.2 | Confident | 85.2 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.3 | -48.7 | 170.8 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | R1145 Y1181 L1184 G1185 D1186 E1191 R1192 V1193 F1198 | R1145-V1189 HydrophobicContact CG-CG1 4.48Å; Y1181-V1189 HydrophobicContact CD2-CG1 3.57Å; Y1181-V1189 HydrophobicContact CD2-CG2 4.21Å; Y1181-V1189 HydrophobicContact CE2-CG1 3.88Å; Y1181-V1189 HydrophobicContact CG-CG1 4.05Å; Y1181-V1189 HydrophobicContact CG-CG2 4.11Å; L1184-V1189 HydrophobicContact CB-CG2 3.87Å; L1184-V1189 HydrophobicContact CD1-CG2 4.39Å; G1185-V1189 WeakPolarHBondContact O-CG2 3.41Å; G1185-V1189 PolarHBondContact O-N 2.77Å; D1186-V1189 PolarHBondContact O-N 2.88Å; V1189-E1191 PolarHBondContact O-N 3.25Å; V1189-R1192 PolarHBondContact O-N 2.82Å; V1189-V1193 HydrophobicContact CG1-CG2 4.03Å; V1189-V1193 VanDerWaalsContact O-CB 3.25Å; V1189-V1193 WeakPolarHBondContact O-CB 3.42Å; V1189-V1193 VanDerWaalsContact O-CG2 3.25Å; V1189-V1193 WeakPolarHBondContact O-CG2 3.41Å; V1189-V1193 PolarHBondContact O-N 3.25Å; V1189-F1198 HydrophobicContact CG2-CZ 4.49Å |
| 1190 | V | 84.1 | Confident | 85.5 | Confident | 31 Ų | 31 | 55.3 Ų | 55.3 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.6 | -53.5 | 177.2 | 163.5 | 0 | 0 | 0 | 0 | 111.4 | I1144 V1152 D1186 V1187 K1194 | I1144-V1190 HydrophobicContact CG2-CG2 3.42Å; I1144-V1190 VanDerWaalsContact CG2-CG2 3.42Å; V1152-V1190 HydrophobicContact CG1-CB 4.27Å; V1152-V1190 HydrophobicContact CG1-CG1 3.7Å; V1152-V1190 HydrophobicContact CG1-CG2 3.87Å; D1186-V1190 WeakPolarHBondContact O-CG2 3.33Å; D1186-V1190 PolarHBondContact O-N 2.86Å; V1187-V1190 PolarHBondContact O-N 3.37Å; V1190-K1194 HydrophobicContact CG1-CD 3.72Å; V1190-K1194 VanDerWaalsContact O-CB 3.31Å; V1190-K1194 WeakPolarHBondContact O-CB 3.47Å; V1190-K1194 VanDerWaalsContact O-CD 3.29Å; V1190-K1194 WeakPolarHBondContact O-CD 3.45Å; V1190-K1194 WeakPolarHBondContact O-CG 3.31Å; V1190-K1194 PolarHBondContact O-N 3.14Å |
| 1191 | E | 86.2 | Confident | 85.5 | Confident | 58 Ų | 58 | 56.3 Ų | 56.3 | 27% | 0.271 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | -177.6 | -81.6 | -62.8 | 109.3 | 0 | 0 | 112.7 | V1187 V1189 K1194 R1195 | V1187-E1191 PolarHBondContact O-N 2.96Å; V1189-E1191 PolarHBondContact O-N 3.25Å; E1191-K1194 PolarHBondContact O-N 3.24Å; E1191-K1194 IonicContact OE1-NZ 3.91Å; E1191-K1194 PolarHBondContact OE1-NZ 2.73Å; E1191-R1195 WeakPolarHBondContact O-CB 3.47Å; E1191-R1195 VanDerWaalsContact O-CD 3.32Å; E1191-R1195 WeakPolarHBondContact O-CD 3.42Å; E1191-R1195 WeakPolarHBondContact O-CG 3.44Å; E1191-R1195 PolarHBondContact O-N 3.43Å; E1191-R1195 VanDerWaalsContact O-N 3.07Å; E1191-R1195 IonicContact OE2-CZ 3.33Å; E1191-R1195 VanDerWaalsContact OE2-CZ 3.25Å; E1191-R1195 IonicContact OE2-NE 2.67Å; E1191-R1195 PolarHBondContact OE2-NE 2.87Å; E1191-R1195 IonicContact OE2-NH2 3.69Å; E1191-R1195 PolarHBondContact OE2-NH2 3.5Å |
| 1192 | R | 89.3 | Confident | 85.4 | Confident | 74 Ų | 74 | 62.2 Ų | 62.2 | 28% | 0.279 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.8 | -41.2 | -178.2 | -70 | -146.9 | -178.1 | 102.9 | 18.1 | 113.1 | E1188 V1189 R1195 M1196 E1197 F1198 | E1188-R1192 VanDerWaalsContact CD-NH1 3.31Å; E1188-R1192 WeakPolarHBondContact O-CB 3.48Å; E1188-R1192 WeakPolarHBondContact O-CG 3.22Å; E1188-R1192 PolarHBondContact O-N 3.49Å; E1188-R1192 IonicContact OE1-CZ 2.84Å; E1188-R1192 IonicContact OE1-NH1 3.53Å; E1188-R1192 PolarHBondContact OE1-NH1 3.47Å; E1188-R1192 IonicContact OE1-NH2 2.68Å; E1188-R1192 PolarHBondContact OE1-NH2 2.62Å; V1189-R1192 PolarHBondContact O-N 2.82Å; R1192-R1195 PolarHBondContact O-N 3.49Å; R1192-M1196 PolarHBondContact O-N 3.42Å; R1192-M1196 VanDerWaalsContact O-N 3.14Å; R1192-E1197 HydrophobicContact CB-CB 3.85Å; R1192-E1197 WeakPolarHBondContact CD-OE2 3.26Å; R1192-E1197 HydrophobicContact CG-CB 3.96Å; R1192-E1197 VanDerWaalsContact CG-OE2 3.31Å; R1192-E1197 WeakPolarHBondContact CG-OE2 3.21Å; R1192-E1197 IonicContact NE-OE2 3.31Å; R1192-E1197 PolarHBondContact NE-OE2 2.98Å; R1192-E1197 VanDerWaalsContact NE-OE2 3.09Å; R1192-E1197 PolarHBondContact O-N 3.19Å; R1192-F1198 HydrophobicContact CB-CD1 3.6Å; R1192-F1198 HydrophobicContact CB-CE1 3.23Å; R1192-F1198 HydrophobicContact CB-CG 4.47Å; R1192-F1198 HydrophobicContact CB-CZ 3.83Å; R1192-F1198 HydrophobicContact CG-CD1 4.21Å; R1192-F1198 HydrophobicContact CG-CE1 3.88Å |
| 1193 | V | 86.4 | Confident | 85.9 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 174.9 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | P1149 W1164 Y1181 V1189 R1195 M1196 F1198 H1223 | P1149-V1193 HydrophobicContact CG-CG1 3.92Å; W1164-V1193 HydrophobicContact CH2-CG1 4.05Å; W1164-V1193 HydrophobicContact CZ2-CG1 3.96Å; Y1181-V1193 HydrophobicContact CE1-CG2 4.46Å; V1189-V1193 HydrophobicContact CG1-CG2 4.03Å; V1189-V1193 VanDerWaalsContact O-CB 3.25Å; V1189-V1193 WeakPolarHBondContact O-CB 3.42Å; V1189-V1193 VanDerWaalsContact O-CG2 3.25Å; V1189-V1193 WeakPolarHBondContact O-CG2 3.41Å; V1189-V1193 PolarHBondContact O-N 3.25Å; V1193-R1195 VanDerWaalsContact C-N 3.3Å; V1193-R1195 PolarHBondContact O-N 3.14Å; V1193-M1196 PolarHBondContact O-N 3.14Å; V1193-F1198 HydrophobicContact CG2-CD2 4.31Å; V1193-F1198 HydrophobicContact CG2-CE2 3.48Å; V1193-F1198 VanDerWaalsContact CG2-CE2 3.48Å; V1193-F1198 HydrophobicContact CG2-CZ 3.99Å; V1193-H1223 PolarHBondContact O-CD2 3.37Å; V1193-H1223 PolarHBondContact O-NE2 2.83Å; V1193-H1223 VanDerWaalsContact O-NE2 3.16Å |
| 1194 | K | 84.1 | Confident | 86.3 | Confident | 62 Ų | 62 | 57.8 Ų | 57.8 | 27% | 0.27 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.7 | -43.3 | 174.5 | -78.6 | 164.2 | 59.8 | -167.8 | 0 | 112.1 | V1152 Q1153 V1190 E1191 H1223 | V1152-K1194 HydrophobicContact CG1-CD 4.32Å; Q1153-K1194 HydrophobicContact CB-CG 4.45Å; V1190-K1194 HydrophobicContact CG1-CD 3.72Å; V1190-K1194 VanDerWaalsContact O-CB 3.31Å; V1190-K1194 WeakPolarHBondContact O-CB 3.47Å; V1190-K1194 VanDerWaalsContact O-CD 3.29Å; V1190-K1194 WeakPolarHBondContact O-CD 3.45Å; V1190-K1194 WeakPolarHBondContact O-CG 3.31Å; V1190-K1194 PolarHBondContact O-N 3.14Å; E1191-K1194 PolarHBondContact O-N 3.24Å; E1191-K1194 IonicContact OE1-NZ 3.91Å; E1191-K1194 PolarHBondContact OE1-NZ 2.73Å; K1194-H1223 PolarHBondContact O-NE2 3.34Å |
| 1195 | R | 85.7 | Confident | 86.4 | Confident | 147 Ų | 147 | 56.4 Ų | 56.4 | 56% | 0.555 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -83 | -2.6 | -175.1 | -65.9 | 168 | -170.3 | -170.6 | 3.7 | 115.5 | E1191 R1192 V1193 E1197 | E1191-R1195 WeakPolarHBondContact O-CB 3.47Å; E1191-R1195 VanDerWaalsContact O-CD 3.32Å; E1191-R1195 WeakPolarHBondContact O-CD 3.42Å; E1191-R1195 WeakPolarHBondContact O-CG 3.44Å; E1191-R1195 PolarHBondContact O-N 3.43Å; E1191-R1195 VanDerWaalsContact O-N 3.07Å; E1191-R1195 IonicContact OE2-CZ 3.33Å; E1191-R1195 VanDerWaalsContact OE2-CZ 3.25Å; E1191-R1195 IonicContact OE2-NE 2.67Å; E1191-R1195 PolarHBondContact OE2-NE 2.87Å; E1191-R1195 IonicContact OE2-NH2 3.69Å; E1191-R1195 PolarHBondContact OE2-NH2 3.5Å; R1192-R1195 PolarHBondContact O-N 3.49Å; V1193-R1195 VanDerWaalsContact C-N 3.3Å; V1193-R1195 PolarHBondContact O-N 3.14Å; R1195-E1197 HydrophobicContact CB-CG 3.96Å; R1195-E1197 WeakPolarHBondContact CD-OE1 3.39Å; R1195-E1197 IonicContact CZ-OE1 3.68Å; R1195-E1197 IonicContact NE-OE1 2.7Å; R1195-E1197 IonicContact NH1-OE1 3.21Å; R1195-E1197 PolarHBondContact NH1-OE1 3Å; R1195-E1197 PolarHBondContact O-N 3.09Å |
| 1196 | M | 85.1 | Confident | 86.7 | Confident | 117 Ų | 117 | 59.6 Ų | 59.6 | 58% | 0.576 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 28.6 | -169.1 | -49.1 | 171.9 | -173.9 | 0 | 0 | 113.4 | R1192 V1193 F1198 H1223 | R1192-M1196 PolarHBondContact O-N 3.42Å; R1192-M1196 VanDerWaalsContact O-N 3.14Å; V1193-M1196 PolarHBondContact O-N 3.14Å; M1196-F1198 VanDerWaalsContact C-N 3.3Å; M1196-F1198 PolarHBondContact O-N 3.09Å; M1196-H1223 HydrophobicContact CE-CB 4.28Å; M1196-H1223 WeakPolarHBondContact CE-ND1 3.42Å; M1196-H1223 HydrophobicContact CG-CB 4.32Å; M1196-H1223 VanDerWaalsContact CG-CD2 3.42Å; M1196-H1223 WeakPolarHBondContact CG-CD2 3.34Å |
| 1197 | E | 83.3 | Confident | 86.8 | Confident | 93 Ų | 93 | 61.4 Ų | 61.4 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -72.5 | -20.7 | 178.1 | -77.2 | -178.8 | -145.5 | 0 | 0 | 112.9 | R1192 R1195 | R1192-E1197 HydrophobicContact CB-CB 3.85Å; R1192-E1197 WeakPolarHBondContact CD-OE2 3.26Å; R1192-E1197 HydrophobicContact CG-CB 3.96Å; R1192-E1197 VanDerWaalsContact CG-OE2 3.31Å; R1192-E1197 WeakPolarHBondContact CG-OE2 3.21Å; R1192-E1197 IonicContact NE-OE2 3.31Å; R1192-E1197 PolarHBondContact NE-OE2 2.98Å; R1192-E1197 VanDerWaalsContact NE-OE2 3.09Å; R1192-E1197 PolarHBondContact O-N 3.19Å; R1195-E1197 HydrophobicContact CB-CG 3.96Å; R1195-E1197 WeakPolarHBondContact CD-OE1 3.39Å; R1195-E1197 IonicContact CZ-OE1 3.68Å; R1195-E1197 IonicContact NE-OE1 2.7Å; R1195-E1197 IonicContact NH1-OE1 3.21Å; R1195-E1197 PolarHBondContact NH1-OE1 3Å; R1195-E1197 PolarHBondContact O-N 3.09Å |
| 1198 | F | 82.3 | Confident | 87.1 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | trans | -156.8 | 169.3 | 169.1 | 62.2 | -116.7 | 0 | 0 | 0 | 112.5 | Y1181 L1184 V1189 R1192 V1193 M1196 E1202 F1203 | Y1181-F1198 HydrophobicContact CD1-CD2 4.05Å; Y1181-F1198 AromaticContact CD1-CE2 3.32Å; Y1181-F1198 HydrophobicContact CD1-CE2 3.32Å; Y1181-F1198 AromaticContact CD1-CZ 3.94Å; Y1181-F1198 HydrophobicContact CD1-CZ 3.94Å; Y1181-F1198 AromaticContact CE1-CD2 3.97Å; Y1181-F1198 HydrophobicContact CE1-CD2 3.97Å; Y1181-F1198 AromaticContact CE1-CE2 3.38Å; Y1181-F1198 HydrophobicContact CE1-CE2 3.38Å; Y1181-F1198 HydrophobicContact CE1-CZ 4.36Å; Y1181-F1198 HydrophobicContact CG-CE2 4.17Å; Y1181-F1198 HydrophobicContact CG-CZ 4.42Å; L1184-F1198 HydrophobicContact CD1-CD1 4.13Å; L1184-F1198 HydrophobicContact CD1-CE1 3.22Å; L1184-F1198 HydrophobicContact CD1-CZ 3.61Å; V1189-F1198 HydrophobicContact CG2-CZ 4.49Å; R1192-F1198 HydrophobicContact CB-CD1 3.6Å; R1192-F1198 HydrophobicContact CB-CE1 3.23Å; R1192-F1198 HydrophobicContact CB-CG 4.47Å; R1192-F1198 HydrophobicContact CB-CZ 3.83Å; R1192-F1198 HydrophobicContact CG-CD1 4.21Å; R1192-F1198 HydrophobicContact CG-CE1 3.88Å; V1193-F1198 HydrophobicContact CG2-CD2 4.31Å; V1193-F1198 HydrophobicContact CG2-CE2 3.48Å; V1193-F1198 VanDerWaalsContact CG2-CE2 3.48Å; V1193-F1198 HydrophobicContact CG2-CZ 3.99Å; M1196-F1198 VanDerWaalsContact C-N 3.3Å; M1196-F1198 PolarHBondContact O-N 3.09Å; F1198-E1202 WeakPolarHBondContact CA-OE1 3.31Å; F1198-E1202 WeakPolarHBondContact CB-OE2 3.46Å; F1198-F1203 HydrophobicContact CB-CE2 4.5Å; F1198-F1203 HydrophobicContact CD1-CE2 4.41Å; F1198-F1203 AromaticContact CD2-CE2 3.88Å; F1198-F1203 HydrophobicContact CD2-CE2 3.88Å; F1198-F1203 HydrophobicContact CE2-CE2 4.19Å; F1198-F1203 HydrophobicContact CG-CE2 4.03Å | ||
| 1199 | S | 86.9 | Confident | 87.1 | Confident | 30 Ų | 30 | 56.3 Ų | 56.3 | 21% | 0.21 | 27% | 0.273 | C | S | . | . | trans | -115 | 157.5 | 166.3 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | T1201 E1202 | S1199-T1201 VanDerWaalsContact CB-OG1 3.3Å; S1199-T1201 WeakPolarHBondContact CB-OG1 3.24Å; S1199-T1201 PolarHBondContact O-N 3.35Å; S1199-T1201 PolarHBondContact OG-N 3.15Å; S1199-T1201 PolarHBondContact OG-OG1 3.34Å; S1199-E1202 PolarHBondContact N-OE1 2.87Å; S1199-E1202 PolarHBondContact O-N 3.28Å | ||
| 1200 | I | 92.6 | Very high | 87.2 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -59.4 | -25.5 | 170.5 | -171 | 61.3 | 0 | 0 | 0 | 112.3 | I1168 Y1171 P1180 Y1181 E1202 F1203 I1217 C1221 | I1168-I1200 HydrophobicContact CD1-CB 3.89Å; I1168-I1200 HydrophobicContact CD1-CD1 4.44Å; I1168-I1200 HydrophobicContact CD1-CG1 3.86Å; I1168-I1200 HydrophobicContact CD1-CG2 3.93Å; Y1171-I1200 HydrophobicContact CD1-CD1 4.15Å; Y1171-I1200 HydrophobicContact CD1-CG1 4.45Å; Y1171-I1200 HydrophobicContact CD2-CD1 3.92Å; Y1171-I1200 HydrophobicContact CD2-CG1 3.68Å; Y1171-I1200 HydrophobicContact CE1-CD1 4.22Å; Y1171-I1200 HydrophobicContact CE2-CD1 3.98Å; Y1171-I1200 HydrophobicContact CE2-CG1 4.18Å; Y1171-I1200 HydrophobicContact CG-CD1 4.02Å; Y1171-I1200 HydrophobicContact CG-CG1 3.85Å; P1180-I1200 HydrophobicContact CB-CD1 4.13Å; Y1181-I1200 HydrophobicContact CD1-CD1 3.8Å; Y1181-I1200 HydrophobicContact CD2-CD1 4.49Å; Y1181-I1200 HydrophobicContact CE1-CB 3.75Å; Y1181-I1200 HydrophobicContact CE1-CD1 3.6Å; Y1181-I1200 HydrophobicContact CE1-CG1 4.24Å; Y1181-I1200 HydrophobicContact CE2-CD1 4.34Å; Y1181-I1200 HydrophobicContact CG-CD1 4.26Å; I1200-E1202 PolarHBondContact O-N 3.37Å; I1200-F1203 HydrophobicContact CD1-CB 4.49Å; I1200-F1203 PolarHBondContact O-N 2.85Å; I1200-I1217 HydrophobicContact CG2-CG2 3.72Å; I1200-C1221 HydrophobicContact CG2-CB 3.98Å |
| 1201 | T | 91.5 | Very high | 87.6 | Confident | 21 Ų | 21 | 63.8 Ų | 63.8 | 13% | 0.129 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -64.5 | -20.6 | 178.5 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | S1199 F1203 L1204 I1217 N1218 | S1199-T1201 VanDerWaalsContact CB-OG1 3.3Å; S1199-T1201 WeakPolarHBondContact CB-OG1 3.24Å; S1199-T1201 PolarHBondContact O-N 3.35Å; S1199-T1201 PolarHBondContact OG-N 3.15Å; S1199-T1201 PolarHBondContact OG-OG1 3.34Å; T1201-F1203 VanDerWaalsContact C-N 3.28Å; T1201-L1204 HydrophobicContact CG2-CD1 4.22Å; T1201-L1204 WeakPolarHBondContact O-CB 3.22Å; T1201-L1204 PolarHBondContact O-N 3.48Å; T1201-I1217 HydrophobicContact CG2-CG2 3.92Å; T1201-N1218 HydrophobicContact CG2-CB 4.08Å |
| 1202 | E | 89 | Confident | 88 | Confident | 127 Ų | 127 | 63 Ų | 63 | 59% | 0.593 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -77.3 | -15.8 | 175.2 | -69.1 | 158 | -119.9 | 0 | 0 | 112.8 | F1198 S1199 I1200 | F1198-E1202 WeakPolarHBondContact CA-OE1 3.31Å; F1198-E1202 WeakPolarHBondContact CB-OE2 3.46Å; S1199-E1202 PolarHBondContact N-OE1 2.87Å; S1199-E1202 PolarHBondContact O-N 3.28Å; I1200-E1202 PolarHBondContact O-N 3.37Å |
| 1203 | F | 90.7 | Very high | 88.2 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -95.8 | 9.7 | 176.4 | -62.8 | -98.8 | 0 | 0 | 0 | 112.4 | Y1171 Y1181 L1184 F1198 I1200 T1201 | Y1171-F1203 HydrophobicContact CE2-CB 4.04Å; Y1171-F1203 VanDerWaalsContact CE2-O 3.31Å; Y1171-F1203 WeakPolarHBondContact CE2-O 3.46Å; Y1171-F1203 PolarHBondContact OH-O 3.38Å; Y1181-F1203 AromaticContact CD1-CD2 3.94Å; Y1181-F1203 HydrophobicContact CD1-CD2 3.94Å; Y1181-F1203 AromaticContact CD1-CE2 3.82Å; Y1181-F1203 HydrophobicContact CD1-CE2 3.82Å; Y1181-F1203 HydrophobicContact CD1-CZ 4.35Å; L1184-F1203 HydrophobicContact CD1-CE1 4.38Å; L1184-F1203 HydrophobicContact CD1-CZ 3.82Å; L1184-F1203 HydrophobicContact CG-CE1 4.47Å; L1184-F1203 HydrophobicContact CG-CZ 4.38Å; F1198-F1203 HydrophobicContact CB-CE2 4.5Å; F1198-F1203 HydrophobicContact CD1-CE2 4.41Å; F1198-F1203 AromaticContact CD2-CE2 3.88Å; F1198-F1203 HydrophobicContact CD2-CE2 3.88Å; F1198-F1203 HydrophobicContact CE2-CE2 4.19Å; F1198-F1203 HydrophobicContact CG-CE2 4.03Å; I1200-F1203 HydrophobicContact CD1-CB 4.49Å; I1200-F1203 PolarHBondContact O-N 2.85Å; T1201-F1203 VanDerWaalsContact C-N 3.28Å |
| 1204 | L | 89.2 | Confident | 88.6 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -79.3 | 145.4 | 175.8 | -72.2 | 173.4 | 0 | 0 | 0 | 111.3 | Y1171 I1174 T1201 A1208 L1209 C1214 I1217 | Y1171-L1204 HydrophobicContact CD2-CD2 3.64Å; Y1171-L1204 HydrophobicContact CD2-CG 4.38Å; Y1171-L1204 HydrophobicContact CE2-CD2 4Å; I1174-L1204 HydrophobicContact CD1-CD2 3.67Å; T1201-L1204 HydrophobicContact CG2-CD1 4.22Å; T1201-L1204 WeakPolarHBondContact O-CB 3.22Å; T1201-L1204 PolarHBondContact O-N 3.48Å; L1204-A1208 HydrophobicContact CB-CB 4.37Å; L1204-L1209 HydrophobicContact CB-CD2 4.19Å; L1204-C1214 HydrophobicContact CD1-CB 4.04Å; L1204-C1214 VanDerWaalsContact CD1-SG 3.6Å; L1204-I1217 HydrophobicContact CD2-CD1 4.35Å |
| 1205 | P | 87.1 | Confident | 89.1 | Confident | 7 Ų | 7 | 62 Ų | 62 | 5% | 0.045 | 31% | 0.312 | C | S | . | . | trans | -57.7 | 142.9 | 168.6 | -23.1 | 34.2 | 0 | 0 | 0 | 111.1 | Q1207 A1208 F1249 T1251 | P1205-Q1207 VanDerWaalsContact CB-OE1 3.29Å; P1205-Q1207 PolarHBondContact O-N 3.33Å; P1205-A1208 WeakPolarHBondContact O-CB 3.38Å; P1205-A1208 PolarHBondContact O-N 3.45Å; P1205-F1249 HydrophobicContact CB-CB 4.29Å; P1205-F1249 HydrophobicContact CG-CB 4Å; P1205-F1249 WeakPolarHBondContact CG-O 3.34Å; P1205-T1251 HydrophobicContact CG-CG2 4.33Å | ||
| 1206 | P | 86.2 | Confident | 89.6 | Confident | 103 Ų | 103 | 55.4 Ų | 55.4 | 67% | 0.669 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -53.7 | -31.5 | -177.3 | -28.8 | 35.6 | 0 | 0 | 0 | 114.5 | A1208 L1209 | P1206-A1208 PolarHBondContact O-N 3.36Å; P1206-L1209 PolarHBondContact O-N 2.86Å |
| 1207 | Q | 85.3 | Confident | 90.2 | Very high | 118 Ų | 118 | 49.8 Ų | 49.8 | 55% | 0.551 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -66.3 | -20.1 | 178.3 | -54.5 | 84.5 | -9.8 | 0 | 0 | 113.3 | P1205 F1249 | P1205-Q1207 VanDerWaalsContact CB-OE1 3.29Å; P1205-Q1207 PolarHBondContact O-N 3.33Å; Q1207-F1249 HydrophobicContact CB-CD1 3.9Å; Q1207-F1249 HydrophobicContact CB-CE1 4.19Å; Q1207-F1249 WeakPolarHBondContact O-CE1 3.4Å |
| 1208 | A | 90 | Very high | 90.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -90 | -21.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1204 P1205 P1206 N1210 T1211 C1214 F1249 | L1204-A1208 HydrophobicContact CB-CB 4.37Å; P1205-A1208 WeakPolarHBondContact O-CB 3.38Å; P1205-A1208 PolarHBondContact O-N 3.45Å; P1206-A1208 PolarHBondContact O-N 3.36Å; A1208-N1210 VanDerWaalsContact C-N 3.32Å; A1208-N1210 PolarHBondContact O-N 2.73Å; A1208-T1211 WeakPolarHBondContact O-CB 3.44Å; A1208-T1211 WeakPolarHBondContact O-CG2 3.48Å; A1208-T1211 PolarHBondContact O-N 2.84Å; A1208-T1211 PolarHBondContact O-OG1 2.94Å; A1208-C1214 WeakPolarHBondContact O-CB 3.44Å; A1208-F1249 HydrophobicContact CB-CB 4.19Å; A1208-F1249 HydrophobicContact CB-CD1 4.11Å; A1208-F1249 HydrophobicContact CB-CD2 3.54Å; A1208-F1249 HydrophobicContact CB-CE1 4.39Å; A1208-F1249 HydrophobicContact CB-CE2 3.86Å; A1208-F1249 HydrophobicContact CB-CG 3.69Å; A1208-F1249 HydrophobicContact CB-CZ 4.28Å |
| 1209 | L | 87.8 | Confident | 91.3 | Very high | 82 Ų | 82 | 51.8 Ų | 51.8 | 43% | 0.429 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -37 | -165.3 | -69.8 | 172.1 | 0 | 0 | 0 | 114.1 | L1204 P1206 T1211 C1214 | L1204-L1209 HydrophobicContact CB-CD2 4.19Å; P1206-L1209 PolarHBondContact O-N 2.86Å; L1209-T1211 PolarHBondContact O-N 3.43Å; L1209-C1214 PolarHBondContact O-SG 2.87Å |
| 1210 | N | 88.1 | Confident | 91.8 | Very high | 164 Ų | 164 | 50.3 Ų | 50.3 | 88% | 0.877 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 50.2 | -178.3 | -63.4 | -18.8 | 0 | 0 | 0 | 111.7 | A1208 | A1208-N1210 VanDerWaalsContact C-N 3.32Å; A1208-N1210 PolarHBondContact O-N 2.73Å |
| 1211 | T | 92.9 | Very high | 92 | Very high | 29 Ų | 29 | 50.6 Ų | 50.6 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -138.7 | 153 | -174.3 | 73 | 0 | 0 | 0 | 0 | 113 | A1208 L1209 V1213 C1214 E1215 F1249 | A1208-T1211 WeakPolarHBondContact O-CB 3.44Å; A1208-T1211 WeakPolarHBondContact O-CG2 3.48Å; A1208-T1211 PolarHBondContact O-N 2.84Å; A1208-T1211 PolarHBondContact O-OG1 2.94Å; L1209-T1211 PolarHBondContact O-N 3.43Å; T1211-V1213 PolarHBondContact O-N 2.92Å; T1211-V1213 VanDerWaalsContact O-N 3.14Å; T1211-V1213 WeakPolarHBondContact OG1-CG1 3.36Å; T1211-C1214 WeakPolarHBondContact O-CA 3.13Å; T1211-C1214 WeakPolarHBondContact O-CB 3.38Å; T1211-C1214 PolarHBondContact O-N 2.78Å; T1211-E1215 PolarHBondContact O-N 2.69Å; T1211-E1215 VanDerWaalsContact O-N 3.07Å; T1211-F1249 HydrophobicContact CG2-CZ 3.89Å |
| 1212 | V | 94.1 | Very high | 92.1 | Very high | 41 Ų | 41 | 52.8 Ų | 52.8 | 25% | 0.248 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.6 | -35.7 | 179.9 | 178.9 | 0 | 0 | 0 | 0 | 112.4 | E1215 L1216 V1238 Y1242 C1245 | V1212-E1215 PolarHBondContact O-N 3.35Å; V1212-L1216 WeakPolarHBondContact O-CB 3.34Å; V1212-L1216 PolarHBondContact O-N 3.13Å; V1212-V1238 HydrophobicContact CG1-CG1 3.97Å; V1212-Y1242 HydrophobicContact CG1-CD2 3.63Å; V1212-Y1242 HydrophobicContact CG1-CE2 4.11Å; V1212-Y1242 HydrophobicContact CG1-CG 3.98Å; V1212-Y1242 HydrophobicContact CG2-CD1 4.34Å; V1212-Y1242 HydrophobicContact CG2-CE1 4.46Å; V1212-Y1242 HydrophobicContact CG2-CG 4.37Å; V1212-C1245 HydrophobicContact CB-CB 3.99Å; V1212-C1245 HydrophobicContact CG1-CB 4.07Å |
| 1213 | V | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.6 | -31.9 | 177.5 | 64.6 | 0 | 0 | 0 | 0 | 112.7 | I1174 T1211 L1216 I1217 I1246 F1249 | I1174-V1213 HydrophobicContact CD1-CG1 4.27Å; I1174-V1213 HydrophobicContact CD1-CG2 4.28Å; I1174-V1213 HydrophobicContact CG2-CG1 4.27Å; I1174-V1213 HydrophobicContact CG2-CG2 3.94Å; T1211-V1213 PolarHBondContact O-N 2.92Å; T1211-V1213 VanDerWaalsContact O-N 3.14Å; T1211-V1213 WeakPolarHBondContact OG1-CG1 3.36Å; V1213-L1216 PolarHBondContact O-N 3.43Å; V1213-I1217 HydrophobicContact CG2-CD1 4.14Å; V1213-I1217 WeakPolarHBondContact O-CB 3.44Å; V1213-I1217 WeakPolarHBondContact O-CG1 3.36Å; V1213-I1217 PolarHBondContact O-N 2.98Å; V1213-I1246 HydrophobicContact CB-CG1 4.38Å; V1213-I1246 HydrophobicContact CG2-CG1 3.99Å; V1213-F1249 HydrophobicContact CG1-CE2 3.94Å |
| 1214 | C | 94.9 | Very high | 92.3 | Very high | 11 Ų | 11 | 51.5 Ų | 51.5 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 169.9 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | L1204 A1208 L1209 T1211 L1216 I1217 N1218 | L1204-C1214 HydrophobicContact CD1-CB 4.04Å; L1204-C1214 VanDerWaalsContact CD1-SG 3.6Å; A1208-C1214 WeakPolarHBondContact O-CB 3.44Å; L1209-C1214 PolarHBondContact O-SG 2.87Å; T1211-C1214 WeakPolarHBondContact O-CA 3.13Å; T1211-C1214 WeakPolarHBondContact O-CB 3.38Å; T1211-C1214 PolarHBondContact O-N 2.78Å; C1214-L1216 VanDerWaalsContact C-N 3.33Å; C1214-L1216 PolarHBondContact O-N 3.3Å; C1214-I1217 PolarHBondContact O-N 2.96Å; C1214-N1218 VanDerWaalsContact O-CB 3.26Å; C1214-N1218 WeakPolarHBondContact O-CB 3.44Å; C1214-N1218 PolarHBondContact O-N 3.28Å |
| 1215 | E | 94.6 | Very high | 92.4 | Very high | 117 Ų | 117 | 55.4 Ų | 55.4 | 55% | 0.547 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 174.4 | -65.3 | -176 | 162.5 | 0 | 0 | 111.8 | T1211 V1212 N1218 H1219 | T1211-E1215 PolarHBondContact O-N 2.69Å; T1211-E1215 VanDerWaalsContact O-N 3.07Å; V1212-E1215 PolarHBondContact O-N 3.35Å; E1215-N1218 WeakPolarHBondContact O-CB 3.21Å; E1215-N1218 PolarHBondContact O-N 3.12Å; E1215-H1219 PolarHBondContact O-N 2.68Å; E1215-H1219 PolarHBondContact O-ND1 3.42Å |
| 1216 | L | 95.9 | Very high | 92.6 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 177.1 | -171.3 | 58.9 | 0 | 0 | 0 | 112.1 | L1170 V1212 V1213 C1214 N1218 H1219 C1220 V1235 V1238 L1239 | L1170-L1216 HydrophobicContact CD1-CD2 3.87Å; L1170-L1216 HydrophobicContact CD1-CG 3.93Å; V1212-L1216 WeakPolarHBondContact O-CB 3.34Å; V1212-L1216 PolarHBondContact O-N 3.13Å; V1213-L1216 PolarHBondContact O-N 3.43Å; C1214-L1216 VanDerWaalsContact C-N 3.33Å; C1214-L1216 PolarHBondContact O-N 3.3Å; L1216-N1218 VanDerWaalsContact C-N 3.33Å; L1216-N1218 PolarHBondContact O-N 3.12Å; L1216-H1219 PolarHBondContact O-N 2.63Å; L1216-C1220 WeakPolarHBondContact O-CB 3.47Å; L1216-C1220 PolarHBondContact O-N 3.36Å; L1216-C1220 PolarHBondContact O-SG 2.93Å; L1216-V1235 HydrophobicContact CD1-CG1 4.2Å; L1216-V1235 HydrophobicContact CD2-CG1 4.39Å; L1216-V1238 HydrophobicContact CD1-CB 4.07Å; L1216-V1238 HydrophobicContact CD1-CG1 4.11Å; L1216-V1238 HydrophobicContact CD1-CG2 4.24Å; L1216-V1238 HydrophobicContact CD2-CG1 4.27Å; L1216-L1239 HydrophobicContact CD2-CD2 3.61Å; L1216-L1239 HydrophobicContact CD2-CG 4.04Å |
| 1217 | I | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 173.1 | -70.4 | 166.7 | 0 | 0 | 0 | 110.4 | L1170 I1174 I1200 T1201 L1204 V1213 C1214 H1219 C1220 C1221 | L1170-I1217 HydrophobicContact CB-CD1 3.99Å; L1170-I1217 HydrophobicContact CB-CG1 3.7Å; L1170-I1217 HydrophobicContact CD1-CG1 4.04Å; I1174-I1217 HydrophobicContact CD1-CD1 3.69Å; I1200-I1217 HydrophobicContact CG2-CG2 3.72Å; T1201-I1217 HydrophobicContact CG2-CG2 3.92Å; L1204-I1217 HydrophobicContact CD2-CD1 4.35Å; V1213-I1217 HydrophobicContact CG2-CD1 4.14Å; V1213-I1217 WeakPolarHBondContact O-CB 3.44Å; V1213-I1217 WeakPolarHBondContact O-CG1 3.36Å; V1213-I1217 PolarHBondContact O-N 2.98Å; C1214-I1217 PolarHBondContact O-N 2.96Å; I1217-H1219 VanDerWaalsContact C-N 3.35Å; I1217-H1219 PolarHBondContact O-N 3.26Å; I1217-C1220 PolarHBondContact O-N 2.84Å; I1217-C1221 VanDerWaalsContact O-CB 3.27Å; I1217-C1221 WeakPolarHBondContact O-CB 3.41Å; I1217-C1221 PolarHBondContact O-N 3.47Å; I1217-C1221 PolarHBondContact O-SG 3.22Å |
| 1218 | N | 95 | Very high | 93.5 | Very high | 61 Ų | 61 | 56.2 Ų | 56.2 | 33% | 0.326 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.3 | -36.2 | 177.8 | -169.8 | -1.5 | 0 | 0 | 0 | 112.5 | T1201 C1214 E1215 L1216 K1222 | T1201-N1218 HydrophobicContact CG2-CB 4.08Å; C1214-N1218 VanDerWaalsContact O-CB 3.26Å; C1214-N1218 WeakPolarHBondContact O-CB 3.44Å; C1214-N1218 PolarHBondContact O-N 3.28Å; E1215-N1218 WeakPolarHBondContact O-CB 3.21Å; E1215-N1218 PolarHBondContact O-N 3.12Å; L1216-N1218 VanDerWaalsContact C-N 3.33Å; L1216-N1218 PolarHBondContact O-N 3.12Å; N1218-K1222 WeakPolarHBondContact O-CD 3.5Å; N1218-K1222 VanDerWaalsContact O-CE 3.22Å; N1218-K1222 WeakPolarHBondContact O-CE 3.37Å; N1218-K1222 WeakPolarHBondContact O-CG 3.29Å; N1218-K1222 PolarHBondContact O-N 2.85Å; N1218-K1222 PolarHBondContact OD1-NZ 3.32Å |
| 1219 | H | 95.1 | Very high | 93.8 | Very high | 98 Ų | 98 | 57 Ų | 57 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -72 | -44.3 | 172.4 | -73.8 | 100.4 | 0 | 0 | 0 | 112.3 | E1215 L1216 I1217 C1221 R1228 P1229 | E1215-H1219 PolarHBondContact O-N 2.68Å; E1215-H1219 PolarHBondContact O-ND1 3.42Å; L1216-H1219 PolarHBondContact O-N 2.63Å; I1217-H1219 VanDerWaalsContact C-N 3.35Å; I1217-H1219 PolarHBondContact O-N 3.26Å; H1219-C1221 VanDerWaalsContact C-N 3.29Å; H1219-C1221 PolarHBondContact O-N 3.17Å; H1219-R1228 WeakPolarHBondContact O-CA 3.18Å; H1219-P1229 WeakPolarHBondContact O-CD 3.48Å |
| 1220 | C | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.7 | -34.9 | 177.1 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | I1163 W1164 L1216 I1217 R1228 | I1163-C1220 HydrophobicContact CG2-CB 4.29Å; W1164-C1220 WeakPolarHBondContact CA-O 3.46Å; L1216-C1220 WeakPolarHBondContact O-CB 3.47Å; L1216-C1220 PolarHBondContact O-N 3.36Å; L1216-C1220 PolarHBondContact O-SG 2.93Å; I1217-C1220 PolarHBondContact O-N 2.84Å; C1220-R1228 VanDerWaalsContact O-CD 3.28Å; C1220-R1228 WeakPolarHBondContact O-CD 3.47Å; C1220-R1228 WeakPolarHBondContact O-CG 3.41Å |
| 1221 | C | 95.7 | Very high | 94.2 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 5% | 0.054 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 27.7 | -175.2 | -53.3 | 0 | 0 | 0 | 0 | 114 | W1164 I1200 I1217 H1219 H1223 | W1164-C1221 HydrophobicContact CE3-CB 4.14Å; W1164-C1221 HydrophobicContact CZ3-CB 4.14Å; W1164-C1221 WeakPolarHBondContact CZ3-O 3.36Å; I1200-C1221 HydrophobicContact CG2-CB 3.98Å; I1217-C1221 VanDerWaalsContact O-CB 3.27Å; I1217-C1221 WeakPolarHBondContact O-CB 3.41Å; I1217-C1221 PolarHBondContact O-N 3.47Å; I1217-C1221 PolarHBondContact O-SG 3.22Å; H1219-C1221 VanDerWaalsContact C-N 3.29Å; H1219-C1221 PolarHBondContact O-N 3.17Å; C1221-H1223 PolarHBondContact O-N 2.87Å |
| 1222 | K | 94.6 | Very high | 94.4 | Very high | 67 Ų | 67 | 49.4 Ų | 49.4 | 29% | 0.291 | 25% | 0.245 | S | C | . | . | trans | -63.4 | 132.2 | 168.1 | -65.9 | -55.8 | -176.8 | -168.6 | 0 | 110.2 | N1218 H1227 R1228 | N1218-K1222 WeakPolarHBondContact O-CD 3.5Å; N1218-K1222 VanDerWaalsContact O-CE 3.22Å; N1218-K1222 WeakPolarHBondContact O-CE 3.37Å; N1218-K1222 WeakPolarHBondContact O-CG 3.29Å; N1218-K1222 PolarHBondContact O-N 2.85Å; N1218-K1222 PolarHBondContact OD1-NZ 3.32Å; K1222-H1227 HydrophobicContact CB-CB 3.99Å; K1222-H1227 HydrophobicContact CG-CB 4.12Å; K1222-H1227 WeakPolarHBondContact CG-O 3.36Å; K1222-R1228 HydrophobicContact CB-CG 4.06Å; K1222-R1228 PolarHBondContact O-NE 3.33Å; K1222-R1228 PolarHBondContact O-NH2 2.88Å | ||
| 1223 | H | 91.9 | Very high | 94.5 | Very high | 52 Ų | 52 | 51.6 Ų | 51.6 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -57.9 | -54.3 | -177.8 | -175.1 | -73.5 | 0 | 0 | 0 | 111.6 | V1193 K1194 M1196 C1221 W1225 R1228 | V1193-H1223 PolarHBondContact O-CD2 3.37Å; V1193-H1223 PolarHBondContact O-NE2 2.83Å; V1193-H1223 VanDerWaalsContact O-NE2 3.16Å; K1194-H1223 PolarHBondContact O-NE2 3.34Å; M1196-H1223 HydrophobicContact CE-CB 4.28Å; M1196-H1223 WeakPolarHBondContact CE-ND1 3.42Å; M1196-H1223 HydrophobicContact CG-CB 4.32Å; M1196-H1223 VanDerWaalsContact CG-CD2 3.42Å; M1196-H1223 WeakPolarHBondContact CG-CD2 3.34Å; C1221-H1223 PolarHBondContact O-N 2.87Å; H1223-W1225 PolarHBondContact O-N 3.21Å; H1223-R1228 PolarHBondContact O-NH2 3.3Å |
| 1224 | Q | 90.9 | Very high | 94.6 | Very high | 102 Ų | 102 | 55.6 Ų | 55.6 | 48% | 0.477 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -68.9 | 118.8 | 171.2 | -70.9 | 170.3 | -16 | 0 | 0 | 110.5 | Q1226 H1227 | Q1224-Q1226 PolarHBondContact O-N 2.87Å; Q1224-H1227 PolarHBondContact O-N 3.02Å; Q1224-H1227 PolarHBondContact OE1-CE1 2.9Å; Q1224-H1227 PolarHBondContact OE1-ND1 3.28Å |
| 1225 | W | 91.3 | Very high | 94.6 | Very high | 96 Ų | 96 | 55.1 Ų | 55.1 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -63 | -26.2 | -174.1 | 63.5 | -88.2 | 0 | 0 | 0 | 113.9 | Q1160 H1223 H1227 R1228 | Q1160-W1225 HydrophobicContact CB-CB 4.16Å; Q1160-W1225 HydrophobicContact CB-CE3 4.42Å; Q1160-W1225 HydrophobicContact CG-CE3 4.19Å; H1223-W1225 PolarHBondContact O-N 3.21Å; W1225-H1227 PolarHBondContact O-N 3.18Å; W1225-R1228 PolarHBondContact O-N 3.39Å |
| 1226 | Q | 92.2 | Very high | 94.7 | Very high | 116 Ų | 116 | 50.2 Ų | 50.2 | 54% | 0.542 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -70.3 | -16.9 | 175.8 | -51.9 | 91.4 | -26.1 | 0 | 0 | 113.6 | Q1224 | Q1224-Q1226 PolarHBondContact O-N 2.87Š|
| 1227 | H | 93.9 | Very high | 94.8 | Very high | 120 Ų | 120 | 56 Ų | 56 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -97.6 | 1 | 177.2 | -66.7 | 134.4 | 0 | 0 | 0 | 113.3 | K1222 Q1224 W1225 | K1222-H1227 HydrophobicContact CB-CB 3.99Å; K1222-H1227 HydrophobicContact CG-CB 4.12Å; K1222-H1227 WeakPolarHBondContact CG-O 3.36Å; Q1224-H1227 PolarHBondContact O-N 3.02Å; Q1224-H1227 PolarHBondContact OE1-CE1 2.9Å; Q1224-H1227 PolarHBondContact OE1-ND1 3.28Å; W1225-H1227 PolarHBondContact O-N 3.18Å |
| 1228 | R | 95.9 | Very high | 94.7 | Very high | 10 Ų | 10 | 58.1 Ų | 58.1 | 4% | 0.038 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -81.4 | 160.8 | 167.2 | -57 | 177.2 | -158.9 | 145.5 | 15.8 | 109.3 | E1150 Q1160 I1163 H1219 C1220 K1222 H1223 W1225 S1230 | E1150-R1228 IonicContact OE1-CZ 2.76Å; E1150-R1228 IonicContact OE1-NH1 3.79Å; E1150-R1228 PolarHBondContact OE1-NH1 3.05Å; E1150-R1228 IonicContact OE1-NH2 3.03Å; E1150-R1228 IonicContact OE2-CZ 3.72Å; E1150-R1228 IonicContact OE2-NH1 2.71Å; E1150-R1228 PolarHBondContact OE2-NH1 2.77Å; E1150-R1228 IonicContact OE2-NH2 2.87Å; E1150-R1228 PolarHBondContact OE2-NH2 3.21Å; Q1160-R1228 WeakPolarHBondContact O-CD 3.33Å; Q1160-R1228 PolarHBondContact O-NH1 3.43Å; I1163-R1228 HydrophobicContact CG2-CB 4.4Å; H1219-R1228 WeakPolarHBondContact O-CA 3.18Å; C1220-R1228 VanDerWaalsContact O-CD 3.28Å; C1220-R1228 WeakPolarHBondContact O-CD 3.47Å; C1220-R1228 WeakPolarHBondContact O-CG 3.41Å; K1222-R1228 HydrophobicContact CB-CG 4.06Å; K1222-R1228 PolarHBondContact O-NE 3.33Å; K1222-R1228 PolarHBondContact O-NH2 2.88Å; H1223-R1228 PolarHBondContact O-NH2 3.3Å; W1225-R1228 PolarHBondContact O-N 3.39Å; R1228-S1230 PolarHBondContact O-N 3.41Å |
| 1229 | P | 95.8 | Very high | 94.8 | Very high | 17 Ų | 17 | 55.2 Ų | 55.2 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | trans | -47.3 | 135 | 167.8 | -29.3 | 36.2 | 0 | 0 | 0 | 111.7 | I1163 H1219 S1231 Q1234 V1235 | I1163-P1229 WeakPolarHBondContact CD1-O 3.29Å; I1163-P1229 HydrophobicContact CG2-CB 4.42Å; I1163-P1229 HydrophobicContact CG2-CG 4.39Å; H1219-P1229 WeakPolarHBondContact O-CD 3.48Å; P1229-S1231 VanDerWaalsContact C-N 3.29Å; P1229-S1231 PolarHBondContact O-N 3.03Å; P1229-Q1234 HydrophobicContact CB-CB 4.13Å; P1229-V1235 HydrophobicContact CB-CG2 3.81Å; P1229-V1235 HydrophobicContact CG-CG2 3.8Å | ||
| 1230 | S | 91.5 | Very high | 94.8 | Very high | 70 Ų | 70 | 55.5 Ų | 55.5 | 49% | 0.49 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -73.1 | -25.9 | -173.4 | 66.4 | 0 | 0 | 0 | 0 | 112.5 | Q1160 R1228 Q1234 | Q1160-S1230 PolarHBondContact NE2-O 3.12Å; R1228-S1230 PolarHBondContact O-N 3.41Å; S1230-Q1234 PolarHBondContact OG-OE1 2.66Å |
| 1231 | S | 94.4 | Very high | 94.8 | Very high | 42 Ų | 42 | 58.6 Ų | 58.6 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -146.7 | 159 | 176.4 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | P1229 N1233 Q1234 | P1229-S1231 VanDerWaalsContact C-N 3.29Å; P1229-S1231 PolarHBondContact O-N 3.03Å; S1231-N1233 PolarHBondContact O-N 3.29Å; S1231-Q1234 PolarHBondContact O-N 3.49Å |
| 1232 | M | 96.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -20.4 | 177.9 | -166.3 | 57.6 | 71.4 | 0 | 0 | 113.3 | G1085 L1088 A1089 I1163 F1166 Q1234 V1235 L1236 | G1085-M1232 WeakPolarHBondContact O-CG 3.15Å; L1088-M1232 HydrophobicContact CB-CE 3.83Å; L1088-M1232 HydrophobicContact CB-CG 4.04Å; L1088-M1232 HydrophobicContact CD1-CE 3.64Å; L1088-M1232 HydrophobicContact CG-CE 4.24Å; A1089-M1232 HydrophobicContact CB-CB 4.18Å; A1089-M1232 HydrophobicContact CB-CG 4.47Å; I1163-M1232 HydrophobicContact CB-CE 4.49Å; I1163-M1232 HydrophobicContact CG1-CE 3.64Å; F1166-M1232 HydrophobicContact CB-CE 3.99Å; F1166-M1232 HydrophobicContact CD1-SD 4.32Å; F1166-M1232 HydrophobicContact CD2-CE 4.31Å; F1166-M1232 HydrophobicContact CD2-SD 4.45Å; F1166-M1232 HydrophobicContact CG-CE 4.04Å; F1166-M1232 HydrophobicContact CG-SD 4.27Å; M1232-Q1234 VanDerWaalsContact C-N 3.31Å; M1232-Q1234 PolarHBondContact O-N 3.19Å; M1232-V1235 WeakPolarHBondContact O-CB 3.41Å; M1232-V1235 PolarHBondContact O-N 2.93Å; M1232-V1235 VanDerWaalsContact O-N 3.1Å; M1232-V1235 HydrophobicContact SD-CB 3.78Å; M1232-V1235 HydrophobicContact SD-CG1 3.98Å; M1232-V1235 HydrophobicContact SD-CG2 4.03Å; M1232-L1236 PolarHBondContact O-N 3.38Å |
| 1233 | N | 95.6 | Very high | 94.7 | Very high | 88 Ų | 88 | 64.5 Ų | 64.5 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 177 | -66 | -6.3 | 0 | 0 | 0 | 112.2 | S1231 V1235 L1236 E1237 | S1231-N1233 PolarHBondContact O-N 3.29Å; N1233-V1235 VanDerWaalsContact C-N 3.26Å; N1233-V1235 PolarHBondContact O-N 3.23Å; N1233-L1236 WeakPolarHBondContact O-CB 3.19Å; N1233-L1236 PolarHBondContact O-N 3.34Å; N1233-E1237 WeakPolarHBondContact O-CG 3.38Å; N1233-E1237 PolarHBondContact O-N 2.99Å |
| 1234 | Q | 96 | Very high | 94.7 | Very high | 84 Ų | 84 | 65.7 Ų | 65.7 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.7 | -28.1 | 175.8 | -68.7 | -179.4 | -30.3 | 0 | 0 | 112.6 | P1229 S1230 S1231 M1232 | P1229-Q1234 HydrophobicContact CB-CB 4.13Å; S1230-Q1234 PolarHBondContact OG-OE1 2.66Å; S1231-Q1234 PolarHBondContact O-N 3.49Å; M1232-Q1234 VanDerWaalsContact C-N 3.31Å; M1232-Q1234 PolarHBondContact O-N 3.19Å |
| 1235 | V | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74.7 | -41.7 | 173.6 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | I1163 F1166 L1216 P1229 M1232 N1233 V1238 L1239 | I1163-V1235 HydrophobicContact CG2-CG2 4.5Å; F1166-V1235 HydrophobicContact CD1-CG1 3.91Å; F1166-V1235 HydrophobicContact CE1-CG1 3.39Å; F1166-V1235 HydrophobicContact CZ-CG1 4.17Å; L1216-V1235 HydrophobicContact CD1-CG1 4.2Å; L1216-V1235 HydrophobicContact CD2-CG1 4.39Å; P1229-V1235 HydrophobicContact CB-CG2 3.81Å; P1229-V1235 HydrophobicContact CG-CG2 3.8Å; M1232-V1235 WeakPolarHBondContact O-CB 3.41Å; M1232-V1235 PolarHBondContact O-N 2.93Å; M1232-V1235 VanDerWaalsContact O-N 3.1Å; M1232-V1235 HydrophobicContact SD-CB 3.78Å; M1232-V1235 HydrophobicContact SD-CG1 3.98Å; M1232-V1235 HydrophobicContact SD-CG2 4.03Å; N1233-V1235 VanDerWaalsContact C-N 3.26Å; N1233-V1235 PolarHBondContact O-N 3.23Å; V1235-V1238 PolarHBondContact O-N 3.44Å; V1235-L1239 PolarHBondContact O-N 2.89Å |
| 1236 | L | 97.1 | Very high | 95 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 175.1 | -72.1 | 170.6 | 0 | 0 | 0 | 112.6 | M1082 Q1086 A1089 M1232 N1233 V1238 L1239 I1240 | M1082-L1236 HydrophobicContact CB-CD2 4.32Å; M1082-L1236 HydrophobicContact CG-CD2 4.46Å; M1082-L1236 WeakPolarHBondContact O-CD2 3.47Å; Q1086-L1236 HydrophobicContact CG-CD1 3.95Å; Q1086-L1236 HydrophobicContact CG-CD2 3.98Å; A1089-L1236 HydrophobicContact CB-CD1 4.29Å; M1232-L1236 PolarHBondContact O-N 3.38Å; N1233-L1236 WeakPolarHBondContact O-CB 3.19Å; N1233-L1236 PolarHBondContact O-N 3.34Å; L1236-V1238 VanDerWaalsContact C-N 3.27Å; L1236-V1238 PolarHBondContact O-N 3.2Å; L1236-L1239 PolarHBondContact O-N 2.79Å; L1236-L1239 VanDerWaalsContact O-N 3.17Å; L1236-I1240 HydrophobicContact CB-CD1 4.39Å; L1236-I1240 WeakPolarHBondContact O-CB 3.44Å; L1236-I1240 WeakPolarHBondContact O-CD1 3.41Å; L1236-I1240 WeakPolarHBondContact O-CG1 3.22Å; L1236-I1240 PolarHBondContact O-N 3.23Å |
| 1237 | E | 96.2 | Very high | 94.9 | Very high | 128 Ų | 128 | 56.1 Ų | 56.1 | 60% | 0.598 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -55.3 | -41.3 | 174.8 | -78.1 | 166 | -174.8 | 0 | 0 | 112 | N1233 A1241 | N1233-E1237 WeakPolarHBondContact O-CG 3.38Å; N1233-E1237 PolarHBondContact O-N 2.99Å; E1237-A1241 VanDerWaalsContact O-CB 3.28Å; E1237-A1241 WeakPolarHBondContact O-CB 3.48Å; E1237-A1241 PolarHBondContact O-N 2.93Å |
| 1238 | V | 95.9 | Very high | 94.7 | Very high | 45 Ų | 45 | 51.6 Ų | 51.6 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | V1212 L1216 V1235 L1236 I1240 A1241 Y1242 | V1212-V1238 HydrophobicContact CG1-CG1 3.97Å; L1216-V1238 HydrophobicContact CD1-CB 4.07Å; L1216-V1238 HydrophobicContact CD1-CG1 4.11Å; L1216-V1238 HydrophobicContact CD1-CG2 4.24Å; L1216-V1238 HydrophobicContact CD2-CG1 4.27Å; V1235-V1238 PolarHBondContact O-N 3.44Å; L1236-V1238 VanDerWaalsContact C-N 3.27Å; L1236-V1238 PolarHBondContact O-N 3.2Å; V1238-I1240 VanDerWaalsContact C-N 3.34Å; V1238-I1240 PolarHBondContact O-N 3.07Å; V1238-A1241 PolarHBondContact O-N 3.14Å; V1238-Y1242 HydrophobicContact CG1-CD2 4.07Å; V1238-Y1242 HydrophobicContact CG1-CE2 4.48Å; V1238-Y1242 WeakPolarHBondContact O-CD2 3.28Å; V1238-Y1242 PolarHBondContact O-N 2.87Å; V1238-Y1242 VanDerWaalsContact O-N 3.09Å |
| 1239 | L | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 179.3 | -63.8 | 174.3 | 0 | 0 | 0 | 112.2 | T1078 M1082 F1166 L1216 V1235 L1236 Y1242 I1246 | T1078-L1239 HydrophobicContact CG2-CB 4.35Å; T1078-L1239 HydrophobicContact CG2-CD2 4.24Å; M1082-L1239 HydrophobicContact CG-CB 3.53Å; M1082-L1239 HydrophobicContact CG-CD1 3.99Å; M1082-L1239 HydrophobicContact CG-CG 4.38Å; M1082-L1239 HydrophobicContact SD-CB 4.2Å; F1166-L1239 HydrophobicContact CZ-CD1 4.21Å; L1216-L1239 HydrophobicContact CD2-CD2 3.61Å; L1216-L1239 HydrophobicContact CD2-CG 4.04Å; V1235-L1239 PolarHBondContact O-N 2.89Å; L1236-L1239 PolarHBondContact O-N 2.79Å; L1236-L1239 VanDerWaalsContact O-N 3.17Å; L1239-Y1242 CarbonylContact O-C 3.36Å; L1239-Y1242 PolarHBondContact O-N 3.39Å; L1239-I1246 HydrophobicContact CD2-CD1 3.7Å; L1239-I1246 HydrophobicContact CD2-CG1 4.27Å |
| 1240 | I | 96.1 | Very high | 93.2 | Very high | 105 Ų | 105 | 52.7 Ų | 52.7 | 54% | 0.538 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.7 | -38.9 | 175.5 | -69.1 | 164 | 0 | 0 | 0 | 111.2 | M1082 L1236 V1238 Y1242 | M1082-I1240 HydrophobicContact CE-CG1 3.67Å; M1082-I1240 HydrophobicContact SD-CG1 4.29Å; L1236-I1240 HydrophobicContact CB-CD1 4.39Å; L1236-I1240 WeakPolarHBondContact O-CB 3.44Å; L1236-I1240 WeakPolarHBondContact O-CD1 3.41Å; L1236-I1240 WeakPolarHBondContact O-CG1 3.22Å; L1236-I1240 PolarHBondContact O-N 3.23Å; V1238-I1240 VanDerWaalsContact C-N 3.34Å; V1238-I1240 PolarHBondContact O-N 3.07Å; I1240-Y1242 VanDerWaalsContact C-N 3.3Å; I1240-Y1242 PolarHBondContact O-N 2.9Å |
| 1241 | A | 96 | Very high | 91.8 | Very high | 64 Ų | 64 | 52.4 Ų | 52.4 | 53% | 0.529 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.7 | -26.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1237 V1238 | E1237-A1241 VanDerWaalsContact O-CB 3.28Å; E1237-A1241 WeakPolarHBondContact O-CB 3.48Å; E1237-A1241 PolarHBondContact O-N 2.93Å; V1238-A1241 PolarHBondContact O-N 3.14Å |
| 1242 | Y | 96.1 | Very high | 89.7 | Confident | 128 Ų | 128 | 57.6 Ų | 57.6 | 50% | 0.502 | 30% | 0.301 | S | S | . | . | trans | -130.2 | 71.8 | -176.9 | -57.6 | -77.1 | 0 | 0 | 0 | 112.1 | V1212 V1238 L1239 I1240 D1244 C1245 | V1212-Y1242 HydrophobicContact CG1-CD2 3.63Å; V1212-Y1242 HydrophobicContact CG1-CE2 4.11Å; V1212-Y1242 HydrophobicContact CG1-CG 3.98Å; V1212-Y1242 HydrophobicContact CG2-CD1 4.34Å; V1212-Y1242 HydrophobicContact CG2-CE1 4.46Å; V1212-Y1242 HydrophobicContact CG2-CG 4.37Å; V1238-Y1242 HydrophobicContact CG1-CD2 4.07Å; V1238-Y1242 HydrophobicContact CG1-CE2 4.48Å; V1238-Y1242 WeakPolarHBondContact O-CD2 3.28Å; V1238-Y1242 PolarHBondContact O-N 2.87Å; V1238-Y1242 VanDerWaalsContact O-N 3.09Å; L1239-Y1242 CarbonylContact O-C 3.36Å; L1239-Y1242 PolarHBondContact O-N 3.39Å; I1240-Y1242 VanDerWaalsContact C-N 3.3Å; I1240-Y1242 PolarHBondContact O-N 2.9Å; Y1242-D1244 PolarHBondContact O-N 3.24Å; Y1242-C1245 WeakPolarHBondContact O-CB 3.35Å; Y1242-C1245 PolarHBondContact O-N 3.39Å; Y1242-C1245 PolarHBondContact O-SG 2.78Å | ||
| 1243 | P | 92.8 | Very high | 87.2 | Confident | 72 Ų | 72 | 63.7 Ų | 63.7 | 47% | 0.468 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -12.2 | -171.7 | 24.7 | -35.5 | 0 | 0 | 0 | 115.5 | S1075 T1078 | S1075-P1243 VanDerWaalsContact CA-O 3.29Å; S1075-P1243 WeakPolarHBondContact CA-O 3.09Å; T1078-P1243 WeakPolarHBondContact CB-O 3.41Å; T1078-P1243 PolarHBondContact OG1-O 3.05Å; T1078-P1243 VanDerWaalsContact OG1-O 3.11Å |
| 1244 | D | 92.6 | Very high | 84.7 | Confident | 77 Ų | 77 | 63.8 Ų | 63.8 | 41% | 0.412 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 24.6 | 174.7 | -69.3 | -69.2 | 0 | 0 | 0 | 112.7 | P1074 S1075 Y1242 R1247 | P1074-D1244 HydrophobicContact CB-CB 3.81Å; S1075-D1244 WeakPolarHBondContact CB-OD1 3.38Å; S1075-D1244 PolarHBondContact N-OD1 3.36Å; S1075-D1244 PolarHBondContact OG-OD1 2.89Å; Y1242-D1244 PolarHBondContact O-N 3.24Å; D1244-R1247 PolarHBondContact O-NH2 3.08Å |
| 1245 | C | 93.3 | Very high | 82.1 | Confident | 8 Ų | 8 | 62 Ų | 62 | 5% | 0.054 | 34% | 0.335 | C | S | . | . | trans | -71.6 | -39.2 | 179.9 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | V1212 Y1242 | V1212-C1245 HydrophobicContact CB-CB 3.99Å; V1212-C1245 HydrophobicContact CG1-CB 4.07Å; Y1242-C1245 WeakPolarHBondContact O-CB 3.35Å; Y1242-C1245 PolarHBondContact O-N 3.39Å; Y1242-C1245 PolarHBondContact O-SG 2.78Å | ||
| 1246 | I | 94.2 | Very high | 79.2 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | trans | -86.1 | 123.9 | -177.6 | -58 | -172.7 | 0 | 0 | 0 | 108.7 | P1074 L1077 T1078 S1081 L1170 I1173 I1174 V1213 L1239 | P1074-I1246 CarbonylContact C-O 3.53Å; P1074-I1246 WeakPolarHBondContact CA-O 3.28Å; P1074-I1246 VanDerWaalsContact CB-O 3.28Å; P1074-I1246 WeakPolarHBondContact CB-O 3.29Å; L1077-I1246 HydrophobicContact CB-CB 4.29Å; L1077-I1246 HydrophobicContact CB-CG2 3.73Å; T1078-I1246 WeakPolarHBondContact OG1-CB 3.29Å; T1078-I1246 PolarHBondContact OG1-N 3.22Å; S1081-I1246 WeakPolarHBondContact OG-CD1 3.28Å; L1170-I1246 HydrophobicContact CD2-CD1 3.57Å; I1173-I1246 HydrophobicContact CG2-CG2 3.76Å; I1174-I1246 HydrophobicContact CG2-CG2 3.64Å; V1213-I1246 HydrophobicContact CB-CG1 4.38Å; V1213-I1246 HydrophobicContact CG2-CG1 3.99Å; L1239-I1246 HydrophobicContact CD2-CD1 3.7Å; L1239-I1246 HydrophobicContact CD2-CG1 4.27Å | ||
| 1247 | R | 91.2 | Very high | 76 | Confident | 104 Ų | 104 | 75.3 Ų | 75.3 | 39% | 0.392 | 40% | 0.404 | S | S | . | . | trans | -148.1 | 162.8 | -176.2 | 66 | -170.5 | 67.4 | 174.3 | -5.7 | 111.3 | P1074 D1244 F1249 | P1074-R1247 HydrophobicContact CB-CB 4.19Å; P1074-R1247 HydrophobicContact CG-CB 3.94Å; D1244-R1247 PolarHBondContact O-NH2 3.08Å; R1247-F1249 HydrophobicContact CG-CD2 4.15Å; R1247-F1249 HydrophobicContact CG-CE1 3.94Å; R1247-F1249 HydrophobicContact CG-CE2 3.51Å; R1247-F1249 HydrophobicContact CG-CZ 3.38Å; R1247-F1249 PolarHBondContact O-N 2.99Å | ||
| 1248 | P | 87.8 | Confident | 73.1 | Confident | 26 Ų | 26 | 75 Ų | 75 | 17% | 0.169 | 41% | 0.406 | C | S | . | . | trans | -64.6 | 116.8 | 175.6 | -15.7 | 29 | 0 | 0 | 0 | 111.1 | A1063 L1077 F1176 L1250 | A1063-P1248 HydrophobicContact CB-CB 3.89Å; A1063-P1248 HydrophobicContact CB-CG 3.93Å; L1077-P1248 HydrophobicContact CD1-CG 4.09Å; F1176-P1248 HydrophobicContact CD2-CB 4.08Å; F1176-P1248 HydrophobicContact CE2-CB 3.55Å; F1176-P1248 HydrophobicContact CE2-CG 3.65Å; F1176-P1248 HydrophobicContact CZ-CB 4.06Å; F1176-P1248 HydrophobicContact CZ-CG 3.8Å; P1248-L1250 HydrophobicContact CB-CD2 4.44Å; P1248-L1250 HydrophobicContact CB-CG 4.23Å | ||
| 1249 | F | 85.4 | Confident | 69.9 | Low | 20 Ų | 20 | 79.3 Ų | 79.3 | 9% | 0.088 | 43% | 0.433 | C | S | . | . | trans | -112 | 92.4 | 165.9 | -67.5 | -63.9 | 0 | 0 | 0 | 107.5 | I1174 P1205 Q1207 A1208 T1211 V1213 R1247 | I1174-F1249 HydrophobicContact CB-CD2 4.06Å; I1174-F1249 HydrophobicContact CD1-CD2 4.3Å; I1174-F1249 HydrophobicContact CG2-CD2 4.49Å; I1174-F1249 PolarHBondContact O-N 3.01Å; P1205-F1249 HydrophobicContact CB-CB 4.29Å; P1205-F1249 HydrophobicContact CG-CB 4Å; P1205-F1249 WeakPolarHBondContact CG-O 3.34Å; Q1207-F1249 HydrophobicContact CB-CD1 3.9Å; Q1207-F1249 HydrophobicContact CB-CE1 4.19Å; Q1207-F1249 WeakPolarHBondContact O-CE1 3.4Å; A1208-F1249 HydrophobicContact CB-CB 4.19Å; A1208-F1249 HydrophobicContact CB-CD1 4.11Å; A1208-F1249 HydrophobicContact CB-CD2 3.54Å; A1208-F1249 HydrophobicContact CB-CE1 4.39Å; A1208-F1249 HydrophobicContact CB-CE2 3.86Å; A1208-F1249 HydrophobicContact CB-CG 3.69Å; A1208-F1249 HydrophobicContact CB-CZ 4.28Å; T1211-F1249 HydrophobicContact CG2-CZ 3.89Å; V1213-F1249 HydrophobicContact CG1-CE2 3.94Å; R1247-F1249 HydrophobicContact CG-CD2 4.15Å; R1247-F1249 HydrophobicContact CG-CE1 3.94Å; R1247-F1249 HydrophobicContact CG-CE2 3.51Å; R1247-F1249 HydrophobicContact CG-CZ 3.38Å; R1247-F1249 PolarHBondContact O-N 2.99Å | ||
| 1250 | L | 75.1 | Confident | 66.7 | Low | 30 Ų | 30 | 85.8 Ų | 85.8 | 16% | 0.157 | 47% | 0.473 | C | S | . | . | trans | -95.6 | 135.6 | -174.6 | -56.5 | -177.4 | 0 | 0 | 0 | 110.8 | R1060 A1063 Q1064 F1176 P1248 | R1060-L1250 HydrophobicContact CG-CD1 4.29Å; R1060-L1250 HydrophobicContact CG-CD2 4.06Å; A1063-L1250 HydrophobicContact CB-CD1 3.89Å; Q1064-L1250 HydrophobicContact CG-CD1 3.47Å; Q1064-L1250 VanDerWaalsContact CG-CD1 3.47Å; F1176-L1250 HydrophobicContact CB-CD2 3.74Å; F1176-L1250 HydrophobicContact CD2-CD2 4.01Å; F1176-L1250 HydrophobicContact CG-CD2 3.86Å; P1248-L1250 HydrophobicContact CB-CD2 4.44Å; P1248-L1250 HydrophobicContact CB-CG 4.23Å | ||
| 1251 | T | 62.8 | Low | 63.6 | Low | 64 Ų | 64 | 87.8 Ų | 87.8 | 39% | 0.393 | 48% | 0.483 | S | S | . | . | trans | -74.6 | 145.4 | 159.6 | 54.2 | 0 | 0 | 0 | 0 | 109.5 | R1060 P1205 D1253 | R1060-T1251 PolarHBondContact NH2-O 2.99Å; R1060-T1251 VanDerWaalsContact NH2-O 3.09Å; R1060-T1251 PolarHBondContact NH2-OG1 3.09Å; P1205-T1251 HydrophobicContact CG-CG2 4.33Å; T1251-D1253 VanDerWaalsContact C-N 3.26Å; T1251-D1253 PolarHBondContact O-N 3.11Å; T1251-D1253 PolarHBondContact OG1-O 3.46Å | ||
| 1252 | D | 50.4 | Low | 60.4 | Low | 151 Ų | 151 | 89.7 Ų | 89.7 | 81% | 0.807 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -57.3 | -40.5 | 179.4 | -60.1 | -66.5 | 0 | 0 | 0 | 111.8 | ||
| 1253 | D | 44.4 | Very low | 57.2 | Low | 129 Ų | 129 | 88.6 Ų | 88.6 | 69% | 0.69 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -69.1 | 130.3 | 170.1 | -74.2 | -54.6 | 0 | 0 | 0 | 112.1 | R1060 T1251 | R1060-D1253 PolarHBondContact NH2-O 3.44Å; T1251-D1253 VanDerWaalsContact C-N 3.26Å; T1251-D1253 PolarHBondContact O-N 3.11Å; T1251-D1253 PolarHBondContact OG1-O 3.46Å |
| 1254 | P | 41.7 | Very low | 54 | Low | 91 Ų | 91 | 91.9 Ų | 91.9 | 59% | 0.591 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 137.3 | 164.5 | 30.9 | -32.3 | 0 | 0 | 0 | 110.1 | K1256 | P1254-K1256 PolarHBondContact O-N 3.09Š|
| 1255 | P | 43.2 | Very low | 50.9 | Low | 45 Ų | 45 | 93.6 Ų | 93.6 | 29% | 0.292 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 126.9 | 177.3 | 26.2 | -33.8 | 0 | 0 | 0 | 110.1 | L1057 R1060 V1178 | L1057-P1255 HydrophobicContact CD2-CG 4.2Å; R1060-P1255 VanDerWaalsContact CZ-CD 3.44Å; V1178-P1255 HydrophobicContact CG2-CB 4.42Å; V1178-P1255 HydrophobicContact CG2-CG 4.31Å |
| 1256 | K | 33.7 | Very low | 47.7 | Very low | 180 Ų | 180 | 101.1 Ų | 101.1 | 78% | 0.783 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 136.9 | 171.3 | -66.9 | -177.4 | 179.8 | 179.8 | 0 | 109.2 | P1254 N1258 | P1254-K1256 PolarHBondContact O-N 3.09Å; K1256-N1258 VanDerWaalsContact C-N 3.34Å; K1256-N1258 PolarHBondContact O-N 3.3Å |
| 1257 | P | 31.3 | Very low | 44.5 | Very low | 114 Ų | 114 | 108.7 Ų | 108.7 | 74% | 0.74 | 59% | 0.591 | S | S | * | * | trans | -71.5 | 90.3 | 175.7 | 29.3 | -33.7 | 0 | 0 | 0 | 109.7 | T1259 | P1257-T1259 PolarHBondContact O-N 2.98Š| ||
| 1258 | N | 34.2 | Very low | 41.3 | Very low | 121 Ų | 121 | 109.5 Ų | 109.5 | 65% | 0.647 | 61% | 0.609 | S | S | * | * | trans | -61.5 | 128.2 | 177.5 | -79.5 | -3.3 | 0 | 0 | 0 | 110.5 | K1256 T1260 | K1256-N1258 VanDerWaalsContact C-N 3.34Å; K1256-N1258 PolarHBondContact O-N 3.3Å; N1258-T1260 PolarHBondContact O-N 3.46Å; N1258-T1260 VanDerWaalsContact O-N 3.15Å | ||
| 1259 | T | 28.7 | Very low | 38.5 | Very low | 136 Ų | 136 | 113.9 Ų | 113.9 | 83% | 0.834 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -84 | 88.4 | -162.5 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | P1257 | P1257-T1259 PolarHBondContact O-N 2.98Š|
| 1260 | T | 30.2 | Very low | 35.6 | Very low | 137 Ų | 137 | 119 Ų | 119 | 84% | 0.84 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -151 | -3.6 | 165.2 | 19.5 | 0 | 0 | 0 | 0 | 116.8 | N1258 | N1258-T1260 PolarHBondContact O-N 3.46Å; N1258-T1260 VanDerWaalsContact O-N 3.15Å |
| 1261 | I | 30 | Very low | 33.3 | Very low | 147 Ų | 147 | 124.3 Ų | 124.3 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -130.5 | 132.6 | 178.7 | -58.3 | -179.1 | 0 | 0 | 0 | 111 | S1263 | I1261-S1263 PolarHBondContact O-N 3.15Å; I1261-S1263 PolarHBondContact O-OG 2.9Å |
| 1262 | D | 29.5 | Very low | 31.7 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 55% | 0.551 | 72% | 0.719 | S | S | * | * | trans | -55.5 | 100.2 | -179 | -77.7 | -12.6 | 0 | 0 | 0 | 112.4 | R971 | R971-D1262 IonicContact CZ-OD2 2.71Å; R971-D1262 IonicContact NH1-OD2 3.18Å; R971-D1262 IonicContact NH2-OD2 2.73Å; R971-D1262 PolarHBondContact NH2-OD2 3.5Å | ||
| 1263 | S | 28 | Very low | 30.4 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | trans | -109.1 | 86.2 | 173.4 | 28.4 | 0 | 0 | 0 | 0 | 110.3 | I1261 | I1261-S1263 PolarHBondContact O-N 3.15Å; I1261-S1263 PolarHBondContact O-OG 2.9Å | ||
| 1264 | L | 27.2 | Very low | 29.6 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | -68.6 | 134.9 | 171.9 | -79.3 | 167 | 0 | 0 | 0 | 110.4 | F1266 | L1264-F1266 PolarHBondContact O-N 3.42Š| ||
| 1265 | P | 27.2 | Very low | 28.9 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -72.4 | 119.3 | -178.9 | 28.5 | -33.9 | 0 | 0 | 0 | 111.3 | Q1267 | P1265-Q1267 PolarHBondContact O-N 3.45Š| ||
| 1266 | F | 25.2 | Very low | 28.2 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | -78.4 | 86.7 | 176 | -144.9 | -80.9 | 0 | 0 | 0 | 109.9 | L1264 P1268 | L1264-F1266 PolarHBondContact O-N 3.42Å; F1266-P1268 WeakPolarHBondContact O-CD 3.45Å | ||
| 1267 | Q | 27 | Very low | 27.9 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | -85.9 | 122.4 | 171.2 | -76.7 | -161.3 | -25.7 | 0 | 0 | 111 | P1265 T1269 | P1265-Q1267 PolarHBondContact O-N 3.45Å; Q1267-T1269 PolarHBondContact O-N 3.5Å | ||
| 1268 | P | 24.6 | Very low | 27.8 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | -82.4 | 104.5 | 170.6 | 32.1 | -31 | 0 | 0 | 0 | 110 | F1266 | F1266-P1268 WeakPolarHBondContact O-CD 3.45Š| ||
| 1269 | T | 28 | Very low | 27.6 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | -121.4 | 107.4 | 164 | 53 | 0 | 0 | 0 | 0 | 109.5 | Q1267 | Q1267-T1269 PolarHBondContact O-N 3.5Š| ||
| 1270 | V | 26.2 | Very low | 27.6 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -67.2 | 165 | 156.1 | -172.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1271 | D | 25.7 | Very low | 27.6 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | 69.4 | 77.7 | 179.4 | -53.2 | -32.2 | 0 | 0 | 0 | 116.7 | ||||
| 1272 | T | 28.7 | Very low | 27.6 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | -168.5 | 126.5 | 114.7 | 13.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1273 | C | 22.9 | Very low | 27.6 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -129.1 | 110.4 | 164 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1274 | I | 29.4 | Very low | 27.8 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -138 | 128.8 | 172.2 | -59.9 | -177.2 | 0 | 0 | 0 | 107.6 | ||||
| 1275 | I | 26.2 | Very low | 28.1 | Very low | 142 Ų | 142 | 128.3 Ų | 128.3 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | trans | -94.5 | 162.5 | -176.9 | -71.4 | 172.1 | 0 | 0 | 0 | 110.1 | ||||
| 1276 | S | 28.4 | Very low | 28.2 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -25 | 148.3 | 176.1 | 58.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 1277 | E | 26.8 | Very low | 28.6 | Very low | 179 Ų | 179 | 129.3 Ų | 129.3 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | -163.8 | 148.9 | 67.9 | -77.9 | -177.6 | 137.5 | 0 | 0 | 112.8 | |||||
| 1278 | S | 29.6 | Very low | 28.8 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 140.8 | 66.9 | 152.2 | 59.4 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1279 | A | 30.5 | Very low | 29 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -165.4 | 41.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1280 | M | 27.6 | Very low | 29 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | trans | -134.2 | 66.9 | -177.1 | -110.9 | -72.2 | 176.9 | 0 | 0 | 112.5 | T1640 V1641 | M1280-T1640 HydrophobicContact CE-CG2 4.1Å; M1280-V1641 HydrophobicContact CE-CG1 4.02Å; M1280-V1641 HydrophobicContact CE-CG2 4.34Å | ||
| 1281 | T | 30.6 | Very low | 29.1 | Very low | 153 Ų | 153 | 122.7 Ų | 122.7 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | trans | -167.6 | 134.9 | 158.1 | 1.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 1282 | G | 31 | Very low | 29.2 | Very low | 73 Ų | 73 | 124.6 Ų | 124.6 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | 113.3 | 116.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1283 | L | 29.3 | Very low | 29.1 | Very low | 162 Ų | 162 | 128 Ų | 128 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | cis | -156.5 | 128.8 | -7.1 | -138 | 162.5 | 0 | 0 | 0 | 110 | A1285 | L1283-A1285 HydrophobicContact CD2-CB 4.1Š| ||
| 1284 | A | 31.8 | Very low | 29.3 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | trans | -146.8 | 100.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1285 | A | 32.8 | Very low | 29.4 | Very low | 76 Ų | 76 | 127.6 Ų | 127.6 | 63% | 0.628 | 78% | 0.776 | S | S | * | * | trans | -98.7 | -170.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L1283 | L1283-A1285 HydrophobicContact CD2-CB 4.1Š| ||
| 1286 | I | 30.8 | Very low | 29.3 | Very low | 156 Ų | 156 | 131.5 Ų | 131.5 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | 78.9 | 111.7 | -174 | -51.7 | 169 | 0 | 0 | 0 | 110.7 | ||||
| 1287 | D | 33.2 | Very low | 29.2 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | cis | -132.2 | 151.7 | -2.9 | -85.9 | -45.7 | 0 | 0 | 0 | 109.5 | ||||
| 1288 | S | 30.1 | Very low | 29.2 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | cis | 97.8 | 143.6 | 36.1 | -157.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1289 | V | 29.6 | Very low | 29 | Very low | 140 Ų | 140 | 126.8 Ų | 126.8 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | 65.2 | 105.1 | 176.5 | -166.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1290 | G | 28.3 | Very low | 28.8 | Very low | 82 Ų | 82 | 128 Ų | 128 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | 84.7 | 128 | 145.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1291 | G | 27.3 | Very low | 28.9 | Very low | 65 Ų | 65 | 128.8 Ų | 128.8 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | cis | 151.9 | 139.9 | -9.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1292 | F | 27.4 | Very low | 28.7 | Very low | 180 Ų | 180 | 126 Ų | 126 | 79% | 0.789 | 78% | 0.776 | S | S | * | * | trans | 67.9 | 146.6 | 174 | -67.8 | -125.6 | 0 | 0 | 0 | 114.2 | ||||
| 1293 | R | 28.1 | Very low | 28.7 | Very low | 210 Ų | 210 | 128.7 Ų | 128.7 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | cis | -150 | 157.7 | -2.5 | -133.4 | 174.4 | -166.8 | 155.2 | 3.4 | 112.2 | ||||
| 1294 | T | 27.1 | Very low | 29 | Very low | 116 Ų | 116 | 126 Ų | 126 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | trans | -45.5 | 150.9 | 168.9 | 51.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1295 | I | 30.6 | Very low | 28.7 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | -172.1 | 114.1 | 127.4 | -98.9 | 152.5 | 0 | 0 | 0 | 106.8 | |||||
| 1296 | R | 24.9 | Very low | 28.4 | Very low | 223 Ų | 223 | 129.4 Ų | 129.4 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | 56.3 | 144.1 | 94.2 | -69.8 | -176.3 | 177.6 | -179.6 | -1.2 | 114.6 | |||||
| 1297 | S | 25.7 | Very low | 28.3 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | cis | -179.8 | 163.2 | -14.9 | -92.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1298 | A | 26.6 | Very low | 28.1 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | 66.9 | 156.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1299 | S | 26.2 | Very low | 28.2 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | cis | -162.2 | 161.2 | -21.7 | -97.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1300 | T | 25.2 | Very low | 28.5 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 16 | 126.7 | 154.2 | 55.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1301 | V | 29.7 | Very low | 28.6 | Very low | 138 Ų | 138 | 126.4 Ų | 126.4 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | -164.5 | 149.9 | 117.9 | 137.1 | 0 | 0 | 0 | 0 | 108.7 | V1303 | V1301-V1303 HydrophobicContact CG1-CG2 4.21Š| |||
| 1302 | A | 27.8 | Very low | 28.8 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -114 | 140.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1303 | V | 29.1 | Very low | 29 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | trans | -143.7 | 118.3 | 172.9 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | V1301 | V1301-V1303 HydrophobicContact CG1-CG2 4.21Š| ||
| 1304 | P | 35.6 | Very low | 29.3 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | trans | -92.6 | -166.5 | 167 | 37.6 | -32.8 | 0 | 0 | 0 | 111.3 | ||||
| 1305 | I | 27 | Very low | 29.4 | Very low | 163 Ų | 163 | 124.6 Ų | 124.6 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | 86.3 | 131.6 | 178.7 | -55.1 | 162.8 | 0 | 0 | 0 | 112.4 | ||||
| 1306 | S | 27.1 | Very low | 29.2 | Very low | 90 Ų | 90 | 124 Ų | 124 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | cis | -167.7 | 162 | -12.4 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1307 | S | 27.5 | Very low | 29.5 | Very low | 103 Ų | 103 | 121 Ų | 121 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | 60.9 | 151.2 | 146.4 | 60.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1308 | C | 28.9 | Very low | 29.8 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -137.5 | 156.4 | 25.2 | -61.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1309 | S | 32.5 | Very low | 29.8 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | -109 | 166 | 156.7 | -48.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1310 | P | 36.4 | Very low | 29.9 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | -147.7 | 166.6 | 110.3 | 38.8 | -25.2 | 0 | 0 | 0 | 113.9 | |||||
| 1311 | S | 28.9 | Very low | 29.9 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | -165 | 139.9 | -26.8 | -90.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1312 | P | 32.9 | Very low | 29.8 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -84 | 158.5 | 171.4 | 34.9 | -34.3 | 0 | 0 | 0 | 112 | ||||
| 1313 | V | 32.1 | Very low | 29.7 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -126.2 | 110.9 | 171.8 | 179.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1314 | P | 32.7 | Very low | 29.5 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | trans | -96.7 | 153.2 | 168.9 | 36.1 | -31.2 | 0 | 0 | 0 | 112 | ||||
| 1315 | L | 30.8 | Very low | 29.1 | Very low | 172 Ų | 172 | 135 Ų | 135 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | trans | -131.1 | 136.7 | 162.1 | -90.4 | 166.7 | 0 | 0 | 0 | 108.5 | ||||
| 1316 | N | 26.6 | Very low | 29 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -115.4 | 171.3 | -172.6 | -73.3 | -34.1 | 0 | 0 | 0 | 111.5 | ||||
| 1317 | L | 30.3 | Very low | 29 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | 83 | 149.6 | 162.8 | -54.5 | 171.2 | 0 | 0 | 0 | 117.1 | ||||
| 1318 | P | 31.7 | Very low | 28.7 | Very low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | cis | -121.9 | -175.1 | -12.1 | 36.1 | -19 | 0 | 0 | 0 | 113.4 | ||||
| 1319 | D | 27.2 | Very low | 28.4 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -49.8 | 156.5 | 164.2 | -41 | -91.9 | 0 | 0 | 0 | 111.3 | ||||
| 1320 | D | 27.1 | Very low | 27.9 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | -171.2 | 152.6 | 63.6 | -173.5 | 34.4 | 0 | 0 | 0 | 113.7 | |||||
| 1321 | N | 25.9 | Very low | 27.4 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 52.7 | 150.8 | 156.5 | -84.8 | -48.9 | 0 | 0 | 0 | 124.5 | ||||
| 1322 | S | 26.7 | Very low | 27.1 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 80 | 96.7 | 160.4 | 72.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1323 | D | 25.6 | Very low | 26.8 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 15.2 | 107.9 | 141.6 | -56.9 | -42.3 | 0 | 0 | 0 | 120.3 | ||||
| 1324 | K | 26.5 | Very low | 26.5 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | -168.2 | 140.1 | 136.8 | -105.6 | 140.4 | -162.2 | 160 | 0 | 115.8 | ||||
| 1325 | Y | 26.6 | Very low | 26.2 | Very low | 218 Ų | 218 | 150.3 Ų | 150.3 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | 65.7 | 94 | 162.9 | -68.8 | -67.1 | 0 | 0 | 0 | 121.3 | ||||
| 1326 | Y | 25.6 | Very low | 25.9 | Very low | 238 Ų | 238 | 147.2 Ų | 147.2 | 93% | 0.933 | 76% | 0.761 | S | S | * | * | trans | -85.4 | 161.8 | 140.5 | -96.9 | -103.8 | 0 | 0 | 0 | 110.8 | ||||
| 1327 | G | 25.5 | Very low | 25.9 | Very low | 71 Ų | 71 | 147.8 Ų | 147.8 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | 143 | 110 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1328 | C | 22.9 | Very low | 25.6 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | cis | 78.9 | 161.5 | 18.6 | -142.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1329 | E | 21.9 | Very low | 25.2 | Very low | 143 Ų | 143 | 152.2 Ų | 152.2 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -69.2 | 158.3 | -171.6 | -63.4 | -174.9 | 94.7 | 0 | 0 | 115 | ||
| 1330 | K | 23 | Very low | 25.1 | Very low | 144 Ų | 144 | 151.9 Ų | 151.9 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | trans | 71.4 | 132.1 | 150.2 | -69.4 | 145.9 | -175.3 | 158.1 | 0 | 120.1 | ||||
| 1331 | R | 24.8 | Very low | 25 | Very low | 160 Ų | 160 | 150 Ų | 150 | 60% | 0.604 | 76% | 0.761 | S | S | * | * | trans | 45.9 | 118.5 | 134.3 | -64.6 | 172.9 | 157.6 | -173.9 | -9.4 | 120.4 | M1460 | R1331-M1460 PolarHBondContact NH2-SD 3.35Å; R1331-M1460 VanDerWaalsContact NH2-SD 3.43Å | ||
| 1332 | L | 23.8 | Very low | 24.9 | Very low | 165 Ų | 165 | 149.2 Ų | 149.2 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | -148.8 | 148.7 | 121.8 | -80.2 | 111.7 | 0 | 0 | 0 | 106.9 | |||||
| 1333 | S | 24.7 | Very low | 24.8 | Very low | 84 Ų | 84 | 151.3 Ų | 151.3 | 59% | 0.587 | 76% | 0.763 | S | S | * | * | cis | 85.2 | 110.1 | 18.7 | 78.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1334 | E | 27.5 | Very low | 24.7 | Very low | 179 Ų | 179 | 148 Ų | 148 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | trans | 60.2 | 115.4 | 146.5 | -59.7 | 179.6 | 141.2 | 0 | 0 | 121.3 | ||||
| 1335 | Q | 25.4 | Very low | 24.6 | Very low | 179 Ų | 179 | 144.9 Ų | 144.9 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | trans | -162.7 | 114.5 | 137.2 | -102.6 | 167.1 | 29.3 | 0 | 0 | 106.2 | ||||
| 1336 | T | 24.4 | Very low | 24.6 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | 58.6 | 80.2 | 62.3 | 74.6 | 0 | 0 | 0 | 0 | 115 | |||||
| 1337 | N | 25.8 | Very low | 24.6 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | trans | -146.7 | 119 | 130.7 | -84.9 | -53.7 | 0 | 0 | 0 | 106.5 | ||||
| 1338 | L | 24.2 | Very low | 24.6 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | 64.3 | 125.6 | 63.9 | -81.7 | 165.8 | 0 | 0 | 0 | 113.9 | |||||
| 1339 | R | 24.2 | Very low | 24.7 | Very low | 216 Ų | 216 | 139.3 Ų | 139.3 | 82% | 0.815 | 71% | 0.712 | S | S | * | * | trans | 74.3 | 116.3 | 176.3 | -57.4 | -158.6 | 172.7 | 132.1 | 3.5 | 113.5 | ||||
| 1340 | D | 24.9 | Very low | 24.8 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | 73.3 | 129.6 | 86.1 | -55.6 | -37.9 | 0 | 0 | 0 | 110.9 | |||||
| 1341 | S | 24.5 | Very low | 24.9 | Very low | 92 Ų | 92 | 139.6 Ų | 139.6 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | cis | -169.8 | 169.6 | -5.7 | 52.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1342 | T | 24.7 | Very low | 24.8 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | trans | 64 | 149.6 | 156.2 | 52.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1343 | L | 24.1 | Very low | 24.9 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 80% | 0.796 | 71% | 0.714 | S | S | * | * | trans | 12.4 | 142.7 | 139.1 | -69.3 | 84.8 | 0 | 0 | 0 | 118.7 | ||||
| 1344 | S | 23.6 | Very low | 24.9 | Very low | 83 Ų | 83 | 140.3 Ų | 140.3 | 58% | 0.58 | 72% | 0.716 | S | S | * | * | cis | 176 | -178.8 | -2.3 | 53.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1345 | N | 24.8 | Very low | 24.8 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 67% | 0.674 | 71% | 0.71 | S | S | * | * | trans | 59.9 | 112.6 | 142 | -70.3 | 0.5 | 0 | 0 | 0 | 120.8 | ||||
| 1346 | H | 26.3 | Very low | 24.9 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | 81.7 | 162.3 | 126.7 | -69.9 | -51.1 | 0 | 0 | 0 | 120.7 | |||||
| 1347 | H | 26.5 | Very low | 24.9 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | trans | 67.3 | 88.8 | 172.5 | -59.4 | -57 | 0 | 0 | 0 | 116.7 | ||||
| 1348 | T | 25.3 | Very low | 24.8 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 63% | 0.626 | 71% | 0.713 | S | S | * | * | 76.7 | 157.1 | 50.8 | 77 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1349 | I | 24.7 | Very low | 25 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | trans | 96.5 | 105.3 | 150.3 | -79.2 | 164.9 | 0 | 0 | 0 | 116.7 | ||||
| 1350 | F | 23.7 | Very low | 25.6 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | trans | 70.3 | 165.6 | 140.2 | -76.9 | -132.2 | 0 | 0 | 0 | 118.9 | ||||
| 1351 | D | 24.4 | Very low | 25.6 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 60% | 0.604 | 71% | 0.71 | S | S | * | * | cis | 177.1 | 153.7 | -44.3 | -137.7 | -11 | 0 | 0 | 0 | 105.4 | ||||
| 1352 | W | 23.4 | Very low | 25.6 | Very low | 227 Ų | 227 | 139.1 Ų | 139.1 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | trans | 63.2 | 166 | 161.7 | -69.5 | 34.6 | 0 | 0 | 0 | 116.3 | ||||
| 1353 | S | 26.2 | Very low | 25.6 | Very low | 77 Ų | 77 | 140.3 Ų | 140.3 | 54% | 0.538 | 72% | 0.716 | S | S | . | * | cis | -160.7 | -177.7 | -34.1 | 55.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1354 | D | 24.9 | Very low | 25.6 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 64% | 0.642 | 71% | 0.711 | S | S | * | * | trans | 68.8 | 112.7 | 156.3 | -67.3 | -63.7 | 0 | 0 | 0 | 120.6 | ||||
| 1355 | N | 26 | Very low | 25.7 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | 34.1 | 122.3 | 110.7 | -57.7 | -57.7 | 0 | 0 | 0 | 117.6 | |||||
| 1356 | Y | 25.7 | Very low | 25.9 | Very low | 226 Ų | 226 | 137.7 Ų | 137.7 | 89% | 0.886 | 72% | 0.716 | S | S | * | * | -160 | 134.6 | 110.6 | -115.1 | -76.2 | 0 | 0 | 0 | 113.4 | |||||
| 1357 | T | 25.5 | Very low | 26 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | -69.4 | 136.8 | 176.5 | 50.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1358 | S | 24.4 | Very low | 26.3 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | -176.3 | 133.8 | 130.2 | 30.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1359 | H | 27 | Very low | 26.3 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 85% | 0.847 | 73% | 0.729 | S | S | * | * | 79.5 | 147.8 | 54.7 | -89.1 | -33.2 | 0 | 0 | 0 | 114.5 | |||||
| 1360 | P | 37.5 | Very low | 26.5 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 63% | 0.63 | 74% | 0.736 | S | S | * | * | trans | -121.9 | -173.8 | -136.9 | 32.4 | -12.1 | 0 | 0 | 0 | 112.8 | ||||
| 1361 | Y | 24.2 | Very low | 26.7 | Very low | 200 Ų | 200 | 139.6 Ų | 139.6 | 78% | 0.784 | 74% | 0.735 | S | S | * | * | trans | 156.4 | 151.4 | 137.5 | -103.6 | -123.4 | 0 | 0 | 0 | 112 | ||||
| 1362 | T | 24.4 | Very low | 26.8 | Very low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | trans | 57.1 | 144 | 148.4 | 51.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 1363 | D | 24.6 | Very low | 26.8 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | cis | 164.3 | 164.8 | -3.3 | 179.3 | 19.1 | 0 | 0 | 0 | 104.5 | ||||
| 1364 | S | 25.5 | Very low | 26.9 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | trans | 72.4 | 149.8 | 163.1 | 89.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1365 | S | 25.6 | Very low | 26.8 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | cis | -170.6 | -170.9 | -22.7 | 50.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1366 | V | 27.9 | Very low | 27.3 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 67% | 0.667 | 75% | 0.753 | S | S | * | * | trans | 95.8 | 91.5 | 157.2 | -166 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1367 | H | 28.2 | Very low | 27.5 | Very low | 173 Ų | 173 | 139 Ų | 139 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | trans | 69.3 | 151.5 | 138.8 | -66.5 | 34.1 | 0 | 0 | 0 | 119.3 | ||||
| 1368 | S | 33.5 | Very low | 27.7 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | cis | -140.1 | 157.7 | -4.2 | 52.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1369 | K | 25 | Very low | 27.5 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | cis | 105.4 | 79.9 | 12 | -158.7 | -175.7 | -171.5 | -176.9 | 0 | 116.5 | ||||
| 1370 | L | 29.5 | Very low | 27.6 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -154.8 | 117.3 | 151.1 | -90.8 | 136.9 | 0 | 0 | 0 | 105.5 | ||||
| 1371 | I | 26.3 | Very low | 27 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | 71.1 | 123.9 | 60.8 | -57.3 | 162.4 | 0 | 0 | 0 | 111.1 | |||||
| 1372 | G | 28.1 | Very low | 27 | Very low | 58 Ų | 58 | 140.2 Ų | 140.2 | 60% | 0.598 | 74% | 0.74 | S | S | * | * | cis | -159.7 | 158.3 | 0.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1373 | F | 23.8 | Very low | 27 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 79% | 0.789 | 74% | 0.736 | S | S | * | * | 77.4 | 154.4 | 84.1 | -97.3 | -84.1 | 0 | 0 | 0 | 116.9 | |||||
| 1374 | Y | 27.6 | Very low | 27.1 | Very low | 215 Ų | 215 | 140.9 Ų | 140.9 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | 75.3 | 118.1 | -174 | -52.9 | -75.6 | 0 | 0 | 0 | 115.8 | ||||
| 1375 | Q | 23.2 | Very low | 27 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | cis | 94.2 | 87.2 | 4.3 | -155.1 | -178.7 | 2.4 | 0 | 0 | 118.5 | ||||
| 1376 | L | 35.9 | Very low | 27 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | 65.5 | 172.7 | 156.8 | -66.3 | 168.6 | 0 | 0 | 0 | 116.1 | ||||
| 1377 | P | 30.2 | Very low | 27.1 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | cis | -131.9 | -149.1 | 6.9 | 45.3 | -26.9 | 0 | 0 | 0 | 115.2 | ||||
| 1378 | M | 28.4 | Very low | 27 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 70% | 0.7 | 75% | 0.751 | S | S | * | * | trans | -82.4 | 161.5 | -176.5 | -58.2 | 166.6 | 63.4 | 0 | 0 | 115.2 | ||||
| 1379 | F | 22 | Very low | 26.7 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | 141.1 | 128.4 | 120.3 | -94.9 | -70.9 | 0 | 0 | 0 | 117 | |||||
| 1380 | S | 27.8 | Very low | 26.8 | Very low | 98 Ų | 98 | 143.3 Ų | 143.3 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | trans | 62.2 | 156.7 | 141.1 | -137.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 1381 | D | 24.7 | Very low | 26.8 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | trans | 84.3 | 139.3 | 152.2 | -71.9 | 5.8 | 0 | 0 | 0 | 120.6 | ||||
| 1382 | R | 23.9 | Very low | 26.9 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | cis | -168.8 | 163.1 | -26.1 | -124.8 | 176.2 | -168.3 | -138.6 | -0 | 110.9 | ||||
| 1383 | Q | 24.7 | Very low | 27.1 | Very low | 142 Ų | 142 | 147 Ų | 147 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | trans | 57 | 110.4 | 150 | -69.2 | 167.3 | -24.6 | 0 | 0 | 121.1 | ||||
| 1384 | T | 26.5 | Very low | 27.3 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | 176.7 | 99.6 | 124.7 | 22.6 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 1385 | L | 24.8 | Very low | 27.5 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | 60.3 | 95.9 | 52.6 | -108.7 | 173.2 | 0 | 0 | 0 | 113.7 | |||||
| 1386 | F | 25.3 | Very low | 27.7 | Very low | 201 Ų | 201 | 141.2 Ų | 141.2 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | trans | -170.9 | 160 | 146.3 | -92.9 | -50.3 | 0 | 0 | 0 | 109.8 | ||||
| 1387 | P | 28.8 | Very low | 27.4 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | -132.5 | 179.8 | -119.5 | 43.1 | -27.2 | 0 | 0 | 0 | 118.1 | |||||
| 1388 | S | 27.4 | Very low | 27.3 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | trans | -57.5 | 142.8 | 179.1 | 53 | 0 | 0 | 0 | 0 | 119 | ||||
| 1389 | V | 27.1 | Very low | 27.3 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 84% | 0.842 | 73% | 0.73 | S | S | * | * | trans | -148.2 | 117.5 | 146.7 | 178.9 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 1390 | V | 26.6 | Very low | 27.4 | Very low | 111 Ų | 111 | 138 Ų | 138 | 67% | 0.673 | 73% | 0.732 | S | S | * | * | cis | 103.8 | 136.6 | 42.1 | 165.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1391 | T | 30.4 | Very low | 27.3 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | trans | 98.9 | 144.7 | 176 | 66.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1392 | D | 27.7 | Very low | 27.4 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | cis | -163.8 | -179 | -44.6 | -142.5 | -35.2 | 0 | 0 | 0 | 109.6 | ||||
| 1393 | E | 32.4 | Very low | 27.5 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | trans | 72.5 | 146.4 | 167.8 | -57.2 | -153.6 | 135.2 | 0 | 0 | 118.8 | ||||
| 1394 | S | 28.2 | Very low | 27.6 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 58% | 0.58 | 74% | 0.739 | S | S | * | * | -173.6 | 175.7 | -69 | 58.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1395 | K | 30.9 | Very low | 27.7 | Very low | 169 Ų | 169 | 136.2 Ų | 136.2 | 74% | 0.735 | 74% | 0.744 | S | S | * | * | trans | 77 | 108.1 | 171.1 | -63.6 | 165.2 | -173.2 | 164.1 | 0 | 114.7 | ||||
| 1396 | E | 28.9 | Very low | 27.7 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | 77.6 | 140.2 | 68 | -73 | -175.9 | 146.1 | 0 | 0 | 111.7 | |||||
| 1397 | L | 28.1 | Very low | 27.8 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 63% | 0.634 | 74% | 0.736 | S | S | * | * | cis | -159.7 | 157.9 | 21.6 | -156 | 69.1 | 0 | 0 | 0 | 111.2 | ||||
| 1398 | N | 28.7 | Very low | 27.6 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 68% | 0.684 | 73% | 0.734 | S | S | * | * | trans | 67.1 | 148 | 148.7 | -80.6 | -4.2 | 0 | 0 | 0 | 120.9 | ||||
| 1399 | I | 28 | Very low | 27.5 | Very low | 122 Ų | 122 | 132 Ų | 132 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | cis | -160.4 | 146.1 | -15.7 | -132.9 | 170.1 | 0 | 0 | 0 | 110.6 | ||||
| 1400 | M | 25.3 | Very low | 28.3 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | 39 | 156.5 | 151.3 | -65.2 | 162.9 | 135.3 | 0 | 0 | 123.3 | ||||
| 1401 | S | 25.2 | Very low | 28.8 | Very low | 79 Ų | 79 | 129.9 Ų | 129.9 | 55% | 0.552 | 73% | 0.732 | S | S | * | * | cis | 179.3 | 163.4 | -24.3 | 65.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1402 | K | 26.4 | Very low | 28.8 | Very low | 191 Ų | 191 | 128.8 Ų | 128.8 | 83% | 0.83 | 73% | 0.725 | S | S | * | * | trans | 70.7 | 153.3 | 158.3 | -67.3 | 172.1 | -176.7 | 178.7 | 0 | 117.1 | ||||
| 1403 | S | 25.9 | Very low | 28.8 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | cis | -173.8 | 157.8 | -14.7 | 48.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1404 | G | 27.3 | Very low | 28.7 | Very low | 69 Ų | 69 | 127.7 Ų | 127.7 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | trans | 90.2 | 125.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1405 | E | 27.9 | Very low | 28.9 | Very low | 199 Ų | 199 | 130.2 Ų | 130.2 | 93% | 0.93 | 72% | 0.724 | S | S | * | * | cis | 66.6 | 89.2 | 21.6 | -59.5 | -165.3 | 121.2 | 0 | 0 | 117.3 | ||||
| 1406 | S | 26.1 | Very low | 29 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | -172.9 | 132.9 | 136.3 | 57.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 1407 | S | 26.1 | Very low | 28.9 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | 59.1 | 128.7 | 53.2 | 89.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1408 | S | 25.2 | Very low | 28.9 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | cis | -171.6 | 173.3 | 7.7 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1409 | L | 25.2 | Very low | 28.9 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | trans | 73.9 | 156.2 | 154.3 | -70 | 156.6 | 0 | 0 | 0 | 120.2 | ||||
| 1410 | P | 42.8 | Very low | 28.8 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | trans | -111.5 | -135 | 176.5 | 36.3 | -14.4 | 0 | 0 | 0 | 108.4 | ||||
| 1411 | P | 38.8 | Very low | 28.9 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | cis | -137.8 | -163.5 | -19.7 | 26.2 | 0.5 | 0 | 0 | 0 | 114.6 | ||||
| 1412 | V | 28.9 | Very low | 29 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | trans | 82.5 | 148.4 | 153.1 | -151.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1413 | F | 27.6 | Very low | 29 | Very low | 177 Ų | 177 | 125 Ų | 125 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | 106 | 124.2 | 156.3 | -63.3 | -65.3 | 0 | 0 | 0 | 116.9 | ||||
| 1414 | N | 31.5 | Very low | 29 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 62% | 0.62 | 73% | 0.727 | S | S | * | * | cis | -153.6 | 161.8 | -9 | -155.8 | 8.3 | 0 | 0 | 0 | 113.6 | ||||
| 1415 | N | 31.7 | Very low | 28.8 | Very low | 136 Ų | 136 | 127 Ų | 127 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -82.8 | 144 | 170.4 | -64.7 | -43.9 | 0 | 0 | 0 | 112.2 | ||||
| 1416 | Y | 33.7 | Very low | 28.7 | Very low | 206 Ų | 206 | 124.3 Ų | 124.3 | 81% | 0.808 | 72% | 0.716 | S | S | * | * | trans | -145 | 117.8 | 139.4 | -81.3 | -88.2 | 0 | 0 | 0 | 105.1 | ||||
| 1417 | T | 27.1 | Very low | 28.8 | Very low | 107 Ų | 107 | 125 Ų | 125 | 66% | 0.656 | 72% | 0.715 | S | S | * | * | 58.1 | 143.6 | 69.7 | 71.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1418 | T | 26.8 | Very low | 28.7 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | cis | -150.9 | -178.9 | 17.7 | -22.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1419 | S | 28.9 | Very low | 28.7 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | trans | -69.2 | -154 | -178.4 | 56 | 0 | 0 | 0 | 0 | 116 | ||||
| 1420 | F | 26.2 | Very low | 28.8 | Very low | 188 Ų | 188 | 126.7 Ų | 126.7 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | trans | 89.7 | 129.6 | -174.5 | -67.3 | -99.5 | 0 | 0 | 0 | 113.9 | ||||
| 1421 | V | 28.5 | Very low | 27.9 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 68% | 0.679 | 71% | 0.712 | S | S | * | * | cis | -152.3 | 160.1 | 1.2 | 87 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1422 | T | 25.7 | Very low | 27.4 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 64% | 0.638 | 72% | 0.715 | S | S | * | * | trans | -8.3 | 129.9 | 162.2 | 53.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1423 | S | 26.4 | Very low | 27.2 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | 72.6 | 168.7 | 63.4 | 88.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1424 | V | 25.6 | Very low | 27.4 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | trans | 79.3 | 136.6 | -176 | -173.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1425 | S | 24.3 | Very low | 27.1 | Very low | 92 Ų | 92 | 127 Ų | 127 | 64% | 0.643 | 72% | 0.723 | S | S | * | * | cis | -171.3 | 171.1 | -28.1 | -96.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1426 | N | 25.3 | Very low | 27 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | trans | 66 | 109 | 148.2 | -65.3 | -3.9 | 0 | 0 | 0 | 120.9 | ||||
| 1427 | T | 27.7 | Very low | 26.6 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | 7.9 | 125 | 117.5 | 54.8 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1428 | I | 25.8 | Very low | 26.6 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | -157.6 | 115 | 125.8 | -92.7 | 141.4 | 0 | 0 | 0 | 104.2 | |||||
| 1429 | N | 24.9 | Very low | 26.6 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | 78 | 155.5 | 56.9 | -162.5 | 17 | 0 | 0 | 0 | 112.5 | |||||
| 1430 | T | 25.9 | Very low | 26.4 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 64% | 0.638 | 73% | 0.726 | S | S | * | * | trans | 63 | 109.7 | -177.4 | 51.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 1431 | S | 25.4 | Very low | 26.4 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | 69.2 | 144 | 74 | 77.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1432 | T | 26.6 | Very low | 26.7 | Very low | 116 Ų | 116 | 123.2 Ų | 123.2 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | cis | -154.1 | 152 | 41.7 | 45.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1433 | N | 26.2 | Very low | 26.6 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | 9.6 | 124 | 133.4 | -49.2 | -24.1 | 0 | 0 | 0 | 119.9 | ||||
| 1434 | V | 31.2 | Very low | 26.5 | Very low | 136 Ų | 136 | 125.5 Ų | 125.5 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | -149.1 | 99.3 | 125 | 175.5 | 0 | 0 | 0 | 0 | 106 | |||||
| 1435 | L | 24.7 | Very low | 26.4 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 67% | 0.665 | 73% | 0.729 | S | S | * | * | 55.8 | 104.7 | 79.2 | -82.1 | 165 | 0 | 0 | 0 | 115.8 | |||||
| 1436 | F | 30.7 | Very low | 26.6 | Very low | 191 Ų | 191 | 126.7 Ų | 126.7 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | 173.3 | 100.5 | 126.6 | -93.8 | -68.7 | 0 | 0 | 0 | 107 | |||||
| 1437 | N | 25.3 | Very low | 26.8 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 65% | 0.647 | 73% | 0.732 | S | S | * | * | cis | 87.4 | 144 | 47.6 | -165.4 | 20.9 | 0 | 0 | 0 | 112.9 | ||||
| 1438 | L | 26.9 | Very low | 26.7 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | trans | 72.3 | 145 | 177.2 | -56.7 | 162.1 | 0 | 0 | 0 | 116.1 | ||||
| 1439 | S | 26.7 | Very low | 26.8 | Very low | 92 Ų | 92 | 126.9 Ų | 126.9 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | cis | -161.3 | 120.5 | -11.1 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1440 | T | 24.6 | Very low | 26.8 | Very low | 121 Ų | 121 | 128 Ų | 128 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | 24.2 | 124.2 | 131.9 | 61.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1441 | S | 26.4 | Very low | 26.8 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | 70.1 | -178.2 | 127.5 | 74.9 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 1442 | P | 33.6 | Very low | 26.7 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | -140.7 | -163.8 | -72.9 | 43.6 | -26.3 | 0 | 0 | 0 | 115 | |||||
| 1443 | I | 24.3 | Very low | 26.8 | Very low | 152 Ų | 152 | 130.1 Ų | 130.1 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | trans | 78.7 | 157.8 | 155.1 | -72.2 | 168.1 | 0 | 0 | 0 | 117.6 | ||||
| 1444 | S | 23.8 | Very low | 26.7 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | trans | 83.3 | 146 | 172.1 | 76.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 1445 | T | 24.7 | Very low | 26.5 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | -168.1 | 153.6 | -55 | 19.3 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1446 | T | 28 | Very low | 26.5 | Very low | 119 Ų | 119 | 130 Ų | 130 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | trans | -32 | 152.3 | 156.3 | 41.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1447 | P | 29.5 | Very low | 26.2 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | -129.6 | 161.4 | 50.3 | 21.7 | 1.9 | 0 | 0 | 0 | 114.6 | |||||
| 1448 | S | 24.4 | Very low | 26.2 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | cis | 83.7 | 95.6 | 29.6 | 87.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1449 | Y | 28.7 | Very low | 26 | Very low | 209 Ų | 209 | 129.8 Ų | 129.8 | 82% | 0.82 | 74% | 0.739 | S | S | * | * | trans | -140.4 | 120.3 | 145.3 | -92.4 | -93.2 | 0 | 0 | 0 | 105 | ||||
| 1450 | Q | 25.7 | Very low | 25.8 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 77% | 0.771 | 73% | 0.73 | S | S | * | * | 63.7 | 131.4 | 78.6 | -74.2 | -174.4 | -20.5 | 0 | 0 | 113 | |||||
| 1451 | S | 24.4 | Very low | 25.8 | Very low | 88 Ų | 88 | 134.1 Ų | 134.1 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | cis | -176.1 | 161.1 | 2.5 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1452 | I | 25.2 | Very low | 25.8 | Very low | 146 Ų | 146 | 133 Ų | 133 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | 69.1 | 136.8 | 150.9 | -71.2 | 158.2 | 0 | 0 | 0 | 115.4 | ||||
| 1453 | D | 27.8 | Very low | 25.4 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | cis | -139.5 | 142.5 | -6.7 | -100.6 | -15.1 | 0 | 0 | 0 | 106.3 | ||||
| 1454 | E | 24.7 | Very low | 25.5 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | 52.4 | 94.7 | 69.1 | -71.5 | -149.7 | -168.3 | 0 | 0 | 116.7 | |||||
| 1455 | S | 26.4 | Very low | 25.5 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | -175.3 | 119.4 | 121.4 | 32.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1456 | S | 25.6 | Very low | 25.6 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | 60.5 | 95.1 | 128.2 | -53 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1457 | Q | 24.5 | Very low | 25.4 | Very low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | 43.3 | 126.1 | 112.9 | -57.2 | 178 | 35 | 0 | 0 | 120.7 | |||||
| 1458 | L | 24.2 | Very low | 25.4 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | -177.4 | 100.6 | 108 | -97.7 | 157.7 | 0 | 0 | 0 | 114.7 | |||||
| 1459 | I | 23.4 | Very low | 25.4 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | trans | 25.2 | 113.4 | 142.2 | -42.2 | 173.8 | 0 | 0 | 0 | 119.6 | ||||
| 1460 | M | 22.7 | Very low | 25.3 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 45% | 0.448 | 75% | 0.746 | S | S | . | * | 168.8 | 83.2 | 114.6 | -88 | -165.8 | 107.3 | 0 | 0 | 112.9 | K123 R1331 | K123-M1460 HydrophobicContact CD-CE 3.77Å; K123-M1460 HydrophobicContact CD-SD 3.68Å; K123-M1460 PolarHBondContact NZ-SD 3.3Å; R1331-M1460 PolarHBondContact NH2-SD 3.35Å; R1331-M1460 VanDerWaalsContact NH2-SD 3.43Å | |||
| 1461 | K | 24.8 | Very low | 25.2 | Very low | 213 Ų | 213 | 140 Ų | 140 | 93% | 0.926 | 74% | 0.74 | S | S | * | * | trans | -89.2 | 146.9 | 160.8 | -82.3 | -174.1 | 175.4 | -179.8 | 0 | 111.1 | ||||
| 1462 | S | 25.8 | Very low | 25.2 | Very low | 88 Ų | 88 | 146.3 Ų | 146.3 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | trans | -93.3 | 148.1 | 168.9 | 47 | 0 | 0 | 0 | 0 | 110.8 | E1464 | S1462-E1464 PolarHBondContact O-N 2.81Å; S1462-E1464 VanDerWaalsContact O-N 3.17Å | ||
| 1463 | P | 25.9 | Very low | 25.1 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | trans | -83.4 | 91.7 | -176.7 | 33.2 | -34.4 | 0 | 0 | 0 | 112.4 | ||||
| 1464 | E | 24.7 | Very low | 25 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -129.7 | 137.6 | 155.3 | -72.1 | -178.8 | 157.3 | 0 | 0 | 107.4 | S1462 | S1462-E1464 PolarHBondContact O-N 2.81Å; S1462-E1464 VanDerWaalsContact O-N 3.17Å | ||
| 1465 | L | 25 | Very low | 25 | Very low | 157 Ų | 157 | 140 Ų | 140 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 60 | 109.3 | -164.3 | -61.3 | 103.7 | 0 | 0 | 0 | 115.7 | ||||
| 1466 | I | 25.8 | Very low | 25 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -112.8 | 112.8 | 144.1 | -66.2 | 177 | 0 | 0 | 0 | 106.5 | D1468 | I1466-D1468 WeakPolarHBondContact CG2-OD2 3.4Š| ||
| 1467 | T | 25.1 | Very low | 24.9 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | -105.7 | 97.8 | 163.7 | 48.4 | 0 | 0 | 0 | 0 | 107.2 | Q1469 | T1467-Q1469 PolarHBondContact O-N 3.42Š| ||
| 1468 | D | 27.8 | Very low | 24.9 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -79 | 120.5 | 172.5 | -76.9 | -40.8 | 0 | 0 | 0 | 110.1 | I1466 | I1466-D1468 WeakPolarHBondContact CG2-OD2 3.4Š| ||
| 1469 | Q | 24.5 | Very low | 24.9 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | trans | -89.9 | 120.1 | 175.3 | -63.3 | 179.2 | -73.8 | 0 | 0 | 109.7 | T1467 T1471 | T1467-Q1469 PolarHBondContact O-N 3.42Å; Q1469-T1471 HydrophobicContact CB-CG2 4.5Å | ||
| 1470 | Y | 26.7 | Very low | 25 | Very low | 221 Ų | 221 | 143.9 Ų | 143.9 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -102.5 | 95.1 | 159.9 | -86 | -79.7 | 0 | 0 | 0 | 109.8 | ||||
| 1471 | T | 23.5 | Very low | 25 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 64% | 0.638 | 78% | 0.782 | S | S | * | * | trans | -108.4 | 76.2 | 177.6 | 49.4 | 0 | 0 | 0 | 0 | 111.9 | Q1469 | Q1469-T1471 HydrophobicContact CB-CG2 4.5Š| ||
| 1472 | Y | 25.3 | Very low | 25.1 | Very low | 221 Ų | 221 | 149.2 Ų | 149.2 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -153.4 | 146.7 | 164.2 | -70.9 | -71.3 | 0 | 0 | 0 | 107.1 | ||||
| 1473 | S | 23.9 | Very low | 25 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | -148.1 | 164.7 | 0.4 | -177 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1474 | T | 24.8 | Very low | 25.1 | Very low | 139 Ų | 139 | 155.1 Ų | 155.1 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -59.5 | 136.3 | 172.9 | 50.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1475 | G | 25.5 | Very low | 25 | Very low | 76 Ų | 76 | 156.7 Ų | 156.7 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | trans | -150 | 118.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1476 | N | 25.5 | Very low | 25.2 | Very low | 162 Ų | 162 | 154.3 Ų | 154.3 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | -74 | 139.5 | -171.7 | -71.3 | -50.4 | 0 | 0 | 0 | 114.2 | ||||
| 1477 | T | 24.2 | Very low | 25.2 | Very low | 122 Ų | 122 | 154.6 Ų | 154.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | 16.8 | 108.7 | 134 | -44.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1478 | L | 23.3 | Very low | 25.3 | Very low | 148 Ų | 148 | 155.9 Ų | 155.9 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | -147.3 | 84.8 | 142 | -152 | 79.6 | 0 | 0 | 0 | 112.8 | I1480 | L1478-I1480 HydrophobicContact CD2-CD1 4.33Å; L1478-I1480 HydrophobicContact CD2-CG1 3.95Å; L1478-I1480 HydrophobicContact CG-CG1 4.37Å; L1478-I1480 PolarHBondContact O-N 3.05Å | ||
| 1479 | H | 25.5 | Very low | 25.3 | Very low | 185 Ų | 185 | 154.9 Ų | 154.9 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -62.5 | 102.6 | 159.9 | -96.1 | -72.5 | 0 | 0 | 0 | 108.8 | R1481 | H1479-R1481 PolarHBondContact O-N 3.37Š| ||
| 1480 | I | 25.6 | Very low | 25.5 | Very low | 136 Ų | 136 | 155.7 Ų | 155.7 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | trans | -72.2 | 80 | 167.1 | -60.5 | -176.2 | 0 | 0 | 0 | 108.1 | L1478 K1482 | L1478-I1480 HydrophobicContact CD2-CD1 4.33Å; L1478-I1480 HydrophobicContact CD2-CG1 3.95Å; L1478-I1480 HydrophobicContact CG-CG1 4.37Å; L1478-I1480 PolarHBondContact O-N 3.05Å; I1480-K1482 PolarHBondContact O-N 3.24Å | ||
| 1481 | R | 22.8 | Very low | 25.5 | Very low | 217 Ų | 217 | 152.2 Ų | 152.2 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | trans | -70.8 | 77.2 | 176.5 | -170.1 | -179 | -167.1 | 168.7 | 5.7 | 109.1 | H1479 Q1483 | H1479-R1481 PolarHBondContact O-N 3.37Å; R1481-Q1483 VanDerWaalsContact C-N 3.25Å; R1481-Q1483 PolarHBondContact O-N 3.12Å | ||
| 1482 | K | 26.7 | Very low | 25.8 | Very low | 199 Ų | 199 | 153.4 Ų | 153.4 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -64.4 | 90.9 | 169.5 | -111.7 | -176.6 | 179.4 | 176.7 | 0 | 108.6 | I1480 K1484 | I1480-K1482 PolarHBondContact O-N 3.24Å; K1482-K1484 PolarHBondContact O-N 2.05Å | ||
| 1483 | Q | 23.9 | Very low | 25.9 | Very low | 131 Ų | 131 | 149 Ų | 149 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | trans | -57.2 | 132.5 | 175.5 | -62.7 | 177.7 | -4.1 | 0 | 0 | 109.5 | R1481 | R1481-Q1483 VanDerWaalsContact C-N 3.25Å; R1481-Q1483 PolarHBondContact O-N 3.12Å | ||
| 1484 | K | 26.6 | Very low | 26.2 | Very low | 210 Ų | 210 | 149.8 Ų | 149.8 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | trans | -115.2 | 89.8 | 140.5 | -144.9 | 178.7 | -175.5 | -172.2 | 0 | 108.2 | K1482 | K1482-K1484 PolarHBondContact O-N 2.05Š| ||
| 1485 | R | 24.1 | Very low | 26.3 | Very low | 200 Ų | 200 | 149 Ų | 149 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -63.1 | 137.8 | 164.1 | -83.8 | 169.5 | 151.3 | 173 | -8.1 | 108.5 | ||||
| 1486 | S | 27.5 | Very low | 26.7 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -153.3 | 90.5 | 144.6 | 52.2 | 0 | 0 | 0 | 0 | 108.4 | T1488 | S1486-T1488 PolarHBondContact O-N 3.26Š| ||
| 1487 | N | 26.7 | Very low | 26.9 | Very low | 144 Ų | 144 | 149.4 Ų | 149.4 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -66.4 | 120.4 | 163.6 | -72.4 | 19.6 | 0 | 0 | 0 | 107.5 | T1489 | N1487-T1489 PolarHBondContact O-N 3.02Š| ||
| 1488 | T | 26.7 | Very low | 27.2 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 87% | 0.871 | 77% | 0.77 | S | S | * | * | trans | -84.3 | 101 | 160.6 | 30.4 | 0 | 0 | 0 | 0 | 109.2 | S1486 | S1486-T1488 PolarHBondContact O-N 3.26Š| ||
| 1489 | T | 27.9 | Very low | 27.7 | Very low | 118 Ų | 118 | 148.3 Ų | 148.3 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | trans | -145.7 | 133.3 | 160.3 | 27 | 0 | 0 | 0 | 0 | 109.2 | N1487 | N1487-T1489 PolarHBondContact O-N 3.02Š| ||
| 1490 | H | 29.1 | Very low | 27.9 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | trans | -49.4 | 149 | -174.5 | -56.2 | -102.4 | 0 | 0 | 0 | 114.8 | ||||
| 1491 | I | 27.6 | Very low | 28 | Very low | 148 Ų | 148 | 149.1 Ų | 149.1 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | -172.6 | 125.7 | 103.1 | -94.8 | 162.6 | 0 | 0 | 0 | 111.7 | |||||
| 1492 | N | 28 | Very low | 28.3 | Very low | 128 Ų | 128 | 147 Ų | 147 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | trans | 54.9 | 116 | 149 | -62.6 | 5.6 | 0 | 0 | 0 | 123.5 | ||||
| 1493 | N | 27.2 | Very low | 28.3 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 68% | 0.684 | 77% | 0.765 | S | S | * | * | 97.3 | 140 | 119.5 | -69.3 | 2.2 | 0 | 0 | 0 | 122.4 | |||||
| 1494 | T | 30.5 | Very low | 28.5 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | 65.8 | 134.8 | 147.3 | 48.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1495 | T | 28.6 | Very low | 28.6 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | cis | 178.6 | 173.8 | -27.8 | 15.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1496 | S | 32.3 | Very low | 28.9 | Very low | 100 Ų | 100 | 140 Ų | 140 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | 79.5 | 121.4 | 166.3 | 84.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1497 | N | 30.6 | Very low | 28.9 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | 88.2 | 144 | 69.5 | -65.9 | -1.6 | 0 | 0 | 0 | 111 | |||||
| 1498 | I | 30.7 | Very low | 28.9 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | cis | -151.1 | 169.2 | 6.6 | -125.6 | 157.7 | 0 | 0 | 0 | 109.1 | ||||
| 1499 | P | 33.3 | Very low | 28.9 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 60% | 0.604 | 76% | 0.761 | S | S | * | * | trans | -113.5 | -174.5 | -156.5 | 44.3 | -38.9 | 0 | 0 | 0 | 117.5 | ||||
| 1500 | D | 29.2 | Very low | 28.8 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | 79.7 | 158.1 | 152.6 | -59.8 | -36.2 | 0 | 0 | 0 | 121.8 | ||||
| 1501 | E | 28.2 | Very low | 28.6 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | 63.1 | 122 | -177 | -52.8 | -170.1 | 151.2 | 0 | 0 | 115.4 | ||||
| 1502 | L | 28.5 | Very low | 28.4 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | cis | -150.3 | 148.5 | 43.8 | -174.6 | 68.4 | 0 | 0 | 0 | 112.5 | ||||
| 1503 | N | 27.3 | Very low | 28.3 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | -83.9 | 164.4 | 179.2 | -92.3 | -52.3 | 0 | 0 | 0 | 114.5 | ||||
| 1504 | N | 28.3 | Very low | 28.1 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | 69.7 | 103 | 161 | -53.8 | -36.4 | 0 | 0 | 0 | 118.3 | ||||
| 1505 | L | 29 | Very low | 27.9 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | -175.2 | 127.4 | 100.8 | -97.1 | 159.5 | 0 | 0 | 0 | 113.1 | S1507 | L1505-S1507 PolarHBondContact O-N 3.3Š| |||
| 1506 | L | 29.1 | Very low | 27.8 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -12.7 | 108.5 | 164.3 | -60.6 | 156.6 | 0 | 0 | 0 | 115.2 | ||||
| 1507 | S | 27.6 | Very low | 27.6 | Very low | 98 Ų | 98 | 145.3 Ų | 145.3 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | 69.2 | 93.4 | 68.7 | 79.6 | 0 | 0 | 0 | 0 | 115 | L1505 | L1505-S1507 PolarHBondContact O-N 3.3Š| |||
| 1508 | D | 27.6 | Very low | 27.4 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -158.6 | 153.6 | 136.1 | -141.7 | -17.5 | 0 | 0 | 0 | 113 | ||||
| 1509 | N | 26.7 | Very low | 27.1 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | 66.7 | 143.6 | 168.7 | -68.6 | -76.1 | 0 | 0 | 0 | 121.4 | ||||
| 1510 | Q | 25.6 | Very low | 26.8 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | 83.2 | 134.8 | 164.2 | -64.3 | -62.8 | -20.6 | 0 | 0 | 121.4 | ||||
| 1511 | L | 24.6 | Very low | 26.6 | Very low | 137 Ų | 137 | 145.8 Ų | 145.8 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | trans | 76.2 | 122.8 | 155.2 | -71.8 | 159.2 | 0 | 0 | 0 | 121.8 | ||||
| 1512 | K | 24.6 | Very low | 26.4 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 62.7 | 128 | 148.3 | -64.4 | 171.8 | 178.7 | 170.6 | 0 | 119.2 | ||||
| 1513 | L | 24.5 | Very low | 26.4 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | -152.6 | 167.3 | 125.1 | -112.7 | 163 | 0 | 0 | 0 | 110.2 | |||||
| 1514 | S | 24.3 | Very low | 26.3 | Very low | 92 Ų | 92 | 143.1 Ų | 143.1 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -131.5 | 144.2 | -176 | 55.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1515 | L | 26 | Very low | 26.2 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | 26.9 | 103.7 | 145.8 | -64 | 163.4 | 0 | 0 | 0 | 116.2 | ||||
| 1516 | D | 26.4 | Very low | 26 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | -167.9 | 173.6 | 104.5 | -119.9 | -28.4 | 0 | 0 | 0 | 113.5 | |||||
| 1517 | A | 26.7 | Very low | 25.9 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | 75.7 | 149.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1518 | D | 26.5 | Very low | 25.9 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -76.7 | 174.1 | 174 | -80.5 | -61.8 | 0 | 0 | 0 | 113.8 | ||||
| 1519 | S | 25.2 | Very low | 25.8 | Very low | 102 Ų | 102 | 146.5 Ų | 146.5 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | 91.3 | 114.3 | 150.9 | 75.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 1520 | I | 26.4 | Very low | 25.8 | Very low | 142 Ų | 142 | 148.7 Ų | 148.7 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | trans | 53.6 | 107.2 | 130.5 | -50.4 | 165.5 | 0 | 0 | 0 | 118.9 | ||||
| 1521 | M | 24.9 | Very low | 25.7 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 86% | 0.862 | 78% | 0.783 | S | S | * | * | -171.8 | 127.4 | 120.7 | -98.7 | 168.1 | -70.8 | 0 | 0 | 107.3 | |||||
| 1522 | N | 25.4 | Very low | 25.6 | Very low | 126 Ų | 126 | 148 Ų | 148 | 67% | 0.674 | 78% | 0.782 | S | S | * | * | 58.7 | 96.7 | 63.7 | -75.7 | 6.9 | 0 | 0 | 0 | 114.1 | |||||
| 1523 | I | 27.5 | Very low | 25.6 | Very low | 168 Ų | 168 | 146.4 Ų | 146.4 | 86% | 0.862 | 78% | 0.781 | S | S | * | * | trans | -133.4 | 90.2 | 146.3 | -59.6 | 176.4 | 0 | 0 | 0 | 102.1 | ||||
| 1524 | E | 25.1 | Very low | 25.6 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | 57.6 | 110.5 | 81.2 | -65.3 | -168 | 156 | 0 | 0 | 113.1 | |||||
| 1525 | E | 26.1 | Very low | 25.8 | Very low | 191 Ų | 191 | 149 Ų | 149 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | 51.9 | 141.5 | 136.1 | -48.8 | -165.2 | 142 | 0 | 0 | 120.2 | ||||
| 1526 | S | 25.3 | Very low | 25.9 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | cis | -128.6 | -178.8 | 4.6 | 69.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1527 | D | 27.9 | Very low | 26 | Very low | 147 Ų | 147 | 147 Ų | 147 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | cis | -154.8 | 167.3 | 26.6 | -133.7 | -44.4 | 0 | 0 | 0 | 115.1 | ||||
| 1528 | R | 27.1 | Very low | 26.2 | Very low | 222 Ų | 222 | 149.5 Ų | 149.5 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | -96.8 | 138.8 | 173.7 | -71.6 | 174.4 | 170 | 171.4 | -2.3 | 111.4 | ||||
| 1529 | S | 24.5 | Very low | 26.4 | Very low | 113 Ų | 113 | 148.3 Ų | 148.3 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -175.1 | 126.4 | 151.5 | -87 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1530 | H | 27 | Very low | 26.6 | Very low | 178 Ų | 178 | 149.4 Ų | 149.4 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | cis | 45 | 91.9 | 49 | -72.5 | -92 | 0 | 0 | 0 | 111.2 | ||||
| 1531 | M | 23.3 | Very low | 26.8 | Very low | 153 Ų | 153 | 150.4 Ų | 150.4 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | -162.3 | 152 | 87.8 | -97.1 | 170.6 | 58.7 | 0 | 0 | 111.1 | |||||
| 1532 | L | 22.5 | Very low | 26.9 | Very low | 133 Ų | 133 | 150.6 Ų | 150.6 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | 38.4 | 103.4 | 93.8 | -68.1 | 158.4 | 0 | 0 | 0 | 111.8 | |||||
| 1533 | I | 25.4 | Very low | 27.1 | Very low | 156 Ų | 156 | 153.5 Ų | 153.5 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | 45.1 | 84.1 | 89.6 | -50.7 | 176.7 | 0 | 0 | 0 | 111.9 | |||||
| 1534 | T | 23.8 | Very low | 27 | Very low | 132 Ų | 132 | 155.8 Ų | 155.8 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -162 | 165.4 | 142.9 | 17.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1535 | E | 28.4 | Very low | 27.1 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -96.8 | 175.4 | -167.8 | -63.3 | 166.7 | 114.1 | 0 | 0 | 114.4 | ||||
| 1536 | D | 28.2 | Very low | 27.1 | Very low | 130 Ų | 130 | 153.2 Ų | 153.2 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | 99.4 | 175.4 | 150.2 | -114.7 | 37.6 | 0 | 0 | 0 | 121.4 | ||||
| 1537 | K | 29.1 | Very low | 27.5 | Very low | 152 Ų | 152 | 153.5 Ų | 153.5 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | -105.4 | 156.2 | -129 | -58.7 | 158.7 | -173.9 | 76.6 | 0 | 117.2 | |||||
| 1538 | N | 30.3 | Very low | 27.6 | Very low | 149 Ų | 149 | 157 Ų | 157 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 84 | 143.5 | 136.3 | -81 | -4.3 | 0 | 0 | 0 | 124.4 | ||||
| 1539 | S | 30 | Very low | 27.8 | Very low | 107 Ų | 107 | 152 Ų | 152 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | 78.1 | 108.7 | 143.1 | 49.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1540 | D | 31 | Very low | 28.1 | Very low | 125 Ų | 125 | 154.3 Ų | 154.3 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | 62.3 | 113.1 | 124.7 | -85.5 | 22.9 | 0 | 0 | 0 | 124.5 | |||||
| 1541 | K | 29.4 | Very low | 28.1 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | 95.4 | 120.9 | 119.8 | -77.6 | 175 | -179.6 | 136.4 | 0 | 122.9 | |||||
| 1542 | Q | 27.1 | Very low | 28.6 | Very low | 179 Ų | 179 | 151.5 Ų | 151.5 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | 87.1 | 147.5 | 133.7 | -74.9 | -179.9 | -35.2 | 0 | 0 | 120.7 | ||||
| 1543 | F | 29.5 | Very low | 28.7 | Very low | 187 Ų | 187 | 152.3 Ų | 152.3 | 82% | 0.82 | 77% | 0.766 | S | S | * | * | trans | -100.2 | 155.9 | -170.4 | -67.4 | -104.9 | 0 | 0 | 0 | 111.7 | ||||
| 1544 | F | 25.4 | Very low | 28.9 | Very low | 216 Ų | 216 | 154.7 Ų | 154.7 | 95% | 0.947 | 77% | 0.771 | S | S | * | * | trans | -139.9 | 159.1 | 143.7 | -96.1 | -79.7 | 0 | 0 | 0 | 110.8 | ||||
| 1545 | I | 27.8 | Very low | 29 | Very low | 148 Ų | 148 | 154.9 Ų | 154.9 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -125.1 | 140.5 | -175.2 | -61.7 | 167.4 | 0 | 0 | 0 | 108.4 | ||||
| 1546 | V | 25.9 | Very low | 29.2 | Very low | 139 Ų | 139 | 152.8 Ų | 152.8 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | -172.6 | 150.6 | 141.5 | 135.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1547 | P | 34.7 | Very low | 29.1 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | trans | -127.5 | -180 | -161.4 | 43 | -28.4 | 0 | 0 | 0 | 117.1 | ||||
| 1548 | R | 29.8 | Very low | 29.1 | Very low | 222 Ų | 222 | 149 Ų | 149 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | 96.6 | 129.8 | 152.3 | -82.5 | -167.8 | 176.6 | -179.2 | -0.5 | 122.4 | ||||
| 1549 | N | 30.6 | Very low | 29 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | trans | 97 | 135.6 | 135 | -79.3 | 37.1 | 0 | 0 | 0 | 123.6 | ||||
| 1550 | E | 30.6 | Very low | 29 | Very low | 162 Ų | 162 | 150.4 Ų | 150.4 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | 80.2 | 97.4 | 143.7 | -75.3 | 159.2 | -119.6 | 0 | 0 | 122.7 | ||||
| 1551 | S | 27.6 | Very low | 28.8 | Very low | 92 Ų | 92 | 155.6 Ų | 155.6 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | 45.6 | 131.1 | 127.8 | 60 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1552 | H | 32.8 | Very low | 28.9 | Very low | 180 Ų | 180 | 155.4 Ų | 155.4 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | -170.7 | 172 | 107.4 | -101.1 | -66.3 | 0 | 0 | 0 | 113.6 | |||||
| 1553 | M | 24.6 | Very low | 29.1 | Very low | 150 Ų | 150 | 152 Ų | 152 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | trans | -70.8 | 158.4 | -172.8 | -57.6 | 134.7 | 54.7 | 0 | 0 | 114.8 | ||||
| 1554 | F | 30.5 | Very low | 29 | Very low | 205 Ų | 205 | 150.3 Ų | 150.3 | 90% | 0.899 | 78% | 0.782 | S | S | * | * | -162.4 | 169.2 | 112.5 | -110.5 | -73.8 | 0 | 0 | 0 | 111.8 | |||||
| 1555 | N | 26.5 | Very low | 29.1 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -141.1 | 131.7 | -163.5 | 169.5 | 22.9 | 0 | 0 | 0 | 111.8 | ||||
| 1556 | V | 31.9 | Very low | 29 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -144.3 | 138.7 | 163.1 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1557 | S | 26.5 | Very low | 28.9 | Very low | 96 Ų | 96 | 149.9 Ų | 149.9 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | -120.6 | 156.5 | -179.4 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1558 | S | 28.6 | Very low | 28.6 | Very low | 107 Ų | 107 | 152.2 Ų | 152.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | 156.5 | 164.8 | 134.4 | 56.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1559 | I | 29.1 | Very low | 28.4 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | 81.4 | 138.4 | 168.2 | -55.8 | 179.7 | 0 | 0 | 0 | 115.5 | ||||
| 1560 | P | 29.9 | Very low | 28.2 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -118 | -177.8 | -146.5 | 43.2 | -31.8 | 0 | 0 | 0 | 117.6 | ||||
| 1561 | R | 26.7 | Very low | 28 | Very low | 233 Ų | 233 | 147 Ų | 147 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -64.2 | 148.2 | -172.4 | -51 | 172.5 | -177.6 | 175 | -0.8 | 115.6 | ||||
| 1562 | N | 29.7 | Very low | 27.9 | Very low | 160 Ų | 160 | 150.3 Ų | 150.3 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | -161.4 | 168.3 | 123.5 | -108.7 | -8.8 | 0 | 0 | 0 | 111.4 | |||||
| 1563 | P | 32.7 | Very low | 27.5 | Very low | 106 Ų | 106 | 152.6 Ų | 152.6 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | trans | -110.7 | -149.3 | -143.8 | 44 | -39.1 | 0 | 0 | 0 | 114.9 | ||||
| 1564 | I | 26.4 | Very low | 27.6 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | 83.6 | 118.8 | -172.5 | -50 | 158.5 | 0 | 0 | 0 | 110.1 | ||||
| 1565 | Q | 27.1 | Very low | 27.3 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | cis | -152.6 | 127.4 | 38.9 | -151.1 | 161.3 | 56.6 | 0 | 0 | 111.9 | ||||
| 1566 | T | 26 | Very low | 27.4 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -85.5 | 114.9 | 178.1 | 41.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1567 | W | 24.3 | Very low | 27.1 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | -113.3 | 90.2 | 160.1 | -87.4 | 51.6 | 0 | 0 | 0 | 107.9 | ||||
| 1568 | N | 28.4 | Very low | 27.3 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -96.9 | 142 | -178.3 | -154.7 | 1.4 | 0 | 0 | 0 | 111.8 | ||||
| 1569 | I | 25.9 | Very low | 27.3 | Very low | 121 Ų | 121 | 151.4 Ų | 151.4 | 62% | 0.621 | 78% | 0.778 | S | S | * | * | trans | -137.7 | 142.1 | -169.8 | -62 | 177.4 | 0 | 0 | 0 | 108.5 | ||||
| 1570 | N | 27 | Very low | 27.3 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | 77 | 124.4 | -176.2 | -44.2 | -72.5 | 0 | 0 | 0 | 115.1 | ||||
| 1571 | C | 24.9 | Very low | 27.2 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | -160.6 | -175.1 | 97.8 | -117.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1572 | L | 25.9 | Very low | 27.2 | Very low | 162 Ų | 162 | 142 Ų | 142 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | trans | 62.8 | 95.8 | 176.1 | -56.1 | 177 | 0 | 0 | 0 | 116.7 | ||||
| 1573 | R | 24.4 | Very low | 27.1 | Very low | 227 Ų | 227 | 139.9 Ų | 139.9 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | trans | -126.8 | 117.5 | 149.6 | -76.8 | -167.7 | -171.9 | -178 | 3.7 | 109.2 | ||||
| 1574 | P | 26.4 | Very low | 26.9 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | trans | -102.6 | 165.4 | 144.9 | -10.1 | 29.4 | 0 | 0 | 0 | 111.7 | ||||
| 1575 | T | 25.8 | Very low | 26.9 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | 27.4 | 103 | 154.1 | 53.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1576 | R | 27.1 | Very low | 27 | Very low | 201 Ų | 201 | 147.7 Ų | 147.7 | 76% | 0.758 | 76% | 0.758 | S | S | * | * | trans | -103.3 | 115.7 | 152.3 | -93.2 | -174 | 169.5 | -171.1 | -2.6 | 109.2 | ||||
| 1577 | S | 26.3 | Very low | 27.1 | Very low | 109 Ų | 109 | 147 Ų | 147 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -116.7 | 77.1 | 167 | 40.1 | 0 | 0 | 0 | 0 | 108.4 | I1579 | S1577-I1579 PolarHBondContact O-N 2.84Å; S1577-I1579 VanDerWaalsContact O-N 3.12Å | ||
| 1578 | L | 29.9 | Very low | 27.2 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | -85.1 | 90.3 | -169.4 | -106.2 | 168.6 | 0 | 0 | 0 | 112.7 | N1580 | L1578-N1580 PolarHBondContact O-N 3.39Š| ||
| 1579 | I | 30.1 | Very low | 27.3 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | trans | -60.4 | 124.2 | 166.1 | -64.3 | 169.1 | 0 | 0 | 0 | 109.4 | S1577 L1581 | S1577-I1579 PolarHBondContact O-N 2.84Å; S1577-I1579 VanDerWaalsContact O-N 3.12Å; I1579-L1581 HydrophobicContact CG2-CD1 4.06Å; I1579-L1581 HydrophobicContact CG2-CG 4Å; I1579-L1581 PolarHBondContact O-N 3.21Å | ||
| 1580 | N | 27.7 | Very low | 27.4 | Very low | 68 Ų | 68 | 150.9 Ų | 150.9 | 36% | 0.364 | 76% | 0.764 | S | S | . | * | trans | -75.7 | 102.8 | 170.1 | -90.6 | -49.8 | 0 | 0 | 0 | 110.5 | Q974 L1578 | Q974-N1580 VanDerWaalsContact CD-ND2 3.32Å; Q974-N1580 PolarHBondContact NE2-ND2 3.41Å; Q974-N1580 VanDerWaalsContact NE2-ND2 3.18Å; Q974-N1580 PolarHBondContact OE1-ND2 2.92Å; L1578-N1580 PolarHBondContact O-N 3.39Å | ||
| 1581 | L | 27.9 | Very low | 27.4 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | trans | -126.1 | 71.9 | 166.2 | -84 | 171.6 | 0 | 0 | 0 | 111 | I1579 | I1579-L1581 HydrophobicContact CG2-CD1 4.06Å; I1579-L1581 HydrophobicContact CG2-CG 4Å; I1579-L1581 PolarHBondContact O-N 3.21Å | ||
| 1582 | T | 28 | Very low | 27.6 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | trans | -132.4 | 58.3 | 172.2 | 61.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1583 | S | 27 | Very low | 27.8 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | -148.9 | 43.3 | 168.8 | 73.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1584 | V | 27.9 | Very low | 28.1 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 89% | 0.885 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -119.4 | 134.1 | 159 | -178 | 0 | 0 | 0 | 0 | 108.4 | ||
| 1585 | R | 27.3 | Very low | 28.4 | Very low | 231 Ų | 231 | 146.8 Ų | 146.8 | 87% | 0.872 | 74% | 0.74 | S | S | * | * | trans | -72.3 | 147.3 | -170.9 | -66.6 | 169.4 | 171.7 | 162.9 | -6.7 | 111.6 | P1587 | R1585-P1587 WeakPolarHBondContact O-CD 3.1Š| ||
| 1586 | Y | 27.8 | Very low | 28.7 | Very low | 207 Ų | 207 | 149.8 Ų | 149.8 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | -55.9 | 129.3 | 156.3 | -86.8 | -99.6 | 0 | 0 | 0 | 109.7 | K1588 | Y1586-K1588 PolarHBondContact O-N 3.05Š| ||
| 1587 | P | 29.2 | Very low | 28.7 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | trans | -72.9 | 83.9 | 155.2 | 31.1 | -31.2 | 0 | 0 | 0 | 108.3 | R1585 H1589 | R1585-P1587 WeakPolarHBondContact O-CD 3.1Å; P1587-H1589 PolarHBondContact O-N 2.89Å | ||
| 1588 | K | 26.7 | Very low | 28.9 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | trans | -74.9 | 72.8 | 170.5 | -106.3 | -163.1 | 175 | -169.3 | 0 | 110.1 | Y1586 | Y1586-K1588 PolarHBondContact O-N 3.05Š| ||
| 1589 | H | 30.1 | Very low | 28.9 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | trans | -141.3 | 150.4 | 164.3 | -101.4 | -92.5 | 0 | 0 | 0 | 108.9 | P1587 | P1587-H1589 PolarHBondContact O-N 2.89Š| ||
| 1590 | Y | 28.4 | Very low | 28.9 | Very low | 213 Ų | 213 | 154.9 Ų | 154.9 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 61.7 | 106.6 | -155.3 | -65.2 | -94.1 | 0 | 0 | 0 | 112.6 | ||
| 1591 | L | 27.2 | Very low | 29 | Very low | 111 Ų | 111 | 155.7 Ų | 155.7 | 58% | 0.581 | 78% | 0.775 | S | S | * | * | cis | -150.6 | 144.8 | -4.3 | -86.6 | 121.8 | 0 | 0 | 0 | 107.1 | N843 | N843-L1591 VanDerWaalsContact CB-O 3.27Å; N843-L1591 WeakPolarHBondContact CB-O 3.48Å; N843-L1591 VanDerWaalsContact CG-C 3.47Å; N843-L1591 WeakPolarHBondContact OD1-CB 3.05Å; N843-L1591 PolarHBondContact OD1-O 3.18Å; N843-L1591 VanDerWaalsContact OD1-O 3.1Å | ||
| 1592 | Q | 28.9 | Very low | 28.9 | Very low | 113 Ų | 113 | 154.9 Ų | 154.9 | 53% | 0.528 | 78% | 0.781 | S | S | . | * | trans | -164.3 | 97.5 | 156.7 | -162.1 | 150.9 | 119.2 | 0 | 0 | 112.2 | N843 N844 | N843-Q1592 HydrophobicContact CB-CB 4.13Å; N843-Q1592 HydrophobicContact CB-CG 3.96Å; N844-Q1592 PolarHBondContact ND2-NE2 3.16Å; N844-Q1592 PolarHBondContact ND2-OE1 2.81Å; N844-Q1592 PolarHBondContact OD1-NE2 3.47Å; N844-Q1592 PolarHBondContact OD1-OE1 2.76Å | ||
| 1593 | N | 30.3 | Very low | 29.1 | Very low | 142 Ų | 142 | 155.1 Ų | 155.1 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -165.5 | 168.5 | 156.5 | -106.8 | -22.7 | 0 | 0 | 0 | 110.2 | ||||
| 1594 | N | 30.5 | Very low | 29.4 | Very low | 156 Ų | 156 | 155.7 Ų | 155.7 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | 67.7 | 135.6 | -155 | -50.8 | -20.6 | 0 | 0 | 0 | 110.4 | ||||
| 1595 | I | 32.6 | Very low | 29.7 | Very low | 157 Ų | 157 | 155.8 Ų | 155.8 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | cis | -129 | 158.5 | 25.9 | -56.3 | 166.9 | 0 | 0 | 0 | 111.3 | ||||
| 1596 | K | 31.1 | Very low | 29.9 | Very low | 196 Ų | 196 | 153.2 Ų | 153.2 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | trans | 81.5 | 132.5 | 177.3 | -48.9 | -177.4 | -175.6 | -179.4 | 0 | 114.3 | ||||
| 1597 | S | 28.9 | Very low | 30 | Very low | 104 Ų | 104 | 148.1 Ų | 148.1 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -156.6 | 156.4 | -14.9 | 36.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1598 | E | 30.5 | Very low | 30.2 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | -162.6 | -173 | 66.6 | -77.4 | -171.1 | 149.9 | 0 | 0 | 112.3 | |||||
| 1599 | H | 28.8 | Very low | 30.6 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | trans | -58.7 | 149.4 | -179.8 | -56.9 | -88.5 | 0 | 0 | 0 | 114.7 | ||||
| 1600 | Y | 29.2 | Very low | 30.8 | Very low | 228 Ų | 228 | 142.9 Ų | 142.9 | 89% | 0.894 | 75% | 0.745 | S | S | * | * | -161.5 | 139.3 | 110.7 | -109.2 | -73.6 | 0 | 0 | 0 | 112 | |||||
| 1601 | A | 30 | Very low | 31.1 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | trans | 33.3 | 101 | 162.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1602 | S | 27.5 | Very low | 31.6 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | -98.4 | 148.6 | 126.8 | 60.4 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1603 | V | 32.1 | Very low | 31.8 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -125.9 | 140.8 | 172 | 178.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1604 | D | 32.9 | Very low | 32 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 68% | 0.684 | 75% | 0.748 | S | S | * | * | trans | 67.4 | 138.3 | -173.9 | -60.9 | -47.6 | 0 | 0 | 0 | 115.5 | ||||
| 1605 | H | 33.6 | Very low | 32.2 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | cis | -153 | 145.7 | 6.1 | -133.6 | 38.4 | 0 | 0 | 0 | 112.1 | ||||
| 1606 | F | 31.7 | Very low | 32.3 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | 55.1 | 122.1 | 163.1 | -80.2 | -94.6 | 0 | 0 | 0 | 124.3 | ||||
| 1607 | S | 29.4 | Very low | 32.5 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | trans | -31.3 | 163.8 | 154.7 | 61.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1608 | S | 33.8 | Very low | 32.7 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | cis | -177.1 | 166.8 | 49.4 | 70.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1609 | I | 35 | Very low | 33 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | 65.3 | 131.6 | 148.6 | -69.3 | 164.6 | 0 | 0 | 0 | 118.3 | ||||
| 1610 | T | 34 | Very low | 33.1 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 69% | 0.693 | 74% | 0.744 | S | S | * | * | cis | -162.1 | 150.4 | -10.5 | 23.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1611 | K | 35.4 | Very low | 33.3 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | 16.9 | 154.4 | 128.3 | -67.5 | 176.8 | 163.8 | -132.8 | 0 | 120.3 | |||||
| 1612 | H | 36.8 | Very low | 33.3 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | cis | -171.4 | 178.3 | 6.5 | -105.6 | -36.6 | 0 | 0 | 0 | 106.9 | ||||
| 1613 | S | 34 | Very low | 33.7 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 60% | 0.601 | 74% | 0.735 | S | S | * | * | cis | -173.2 | 140.3 | -14.1 | 47.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1614 | D | 33.7 | Very low | 33.8 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | trans | 37.1 | 144.6 | 139.8 | -46 | -54.8 | 0 | 0 | 0 | 124.8 | ||||
| 1615 | I | 35.1 | Very low | 34 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | 178.1 | 154.8 | 117.3 | -90.6 | 161.1 | 0 | 0 | 0 | 114.3 | |||||
| 1616 | H | 35.1 | Very low | 34 | Very low | 185 Ų | 185 | 132.3 Ų | 132.3 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | -62 | 177 | -178.7 | -57 | -95.2 | 0 | 0 | 0 | 115.9 | ||||
| 1617 | G | 34.8 | Very low | 33.8 | Very low | 69 Ų | 69 | 132.8 Ų | 132.8 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | -177.1 | -166.9 | 5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1618 | S | 33.9 | Very low | 33.9 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | cis | 169.8 | 145.1 | -5.9 | 43.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1619 | D | 35.3 | Very low | 33.7 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | 146.1 | 151.8 | 136.3 | -74.8 | -12.1 | 0 | 0 | 0 | 118.7 | ||||
| 1620 | L | 32.7 | Very low | 33.5 | Very low | 161 Ų | 161 | 137 Ų | 137 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | 72.1 | 159 | 163.6 | -73.2 | 161.8 | 0 | 0 | 0 | 119.2 | ||||
| 1621 | T | 31.9 | Very low | 33.2 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | trans | -168.8 | 155 | -134.1 | 49.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1622 | L | 31.1 | Very low | 33 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | 70.2 | 163.6 | 153.8 | -69.5 | 163.2 | 0 | 0 | 0 | 118.4 | ||||
| 1623 | P | 35.6 | Very low | 32.8 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | cis | -124.5 | 169.9 | -7.7 | 28.2 | -7.5 | 0 | 0 | 0 | 115.7 | ||||
| 1624 | P | 34.2 | Very low | 32.6 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | -103.8 | 173.8 | 177 | 40.3 | -35.3 | 0 | 0 | 0 | 114.6 | ||||
| 1625 | S | 36.4 | Very low | 32.3 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -149.7 | 141.4 | 167.1 | 62.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1626 | L | 33.9 | Very low | 32.2 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 89% | 0.885 | 76% | 0.76 | S | S | * | * | trans | 72.9 | 92.2 | 158.8 | -66.8 | 161.8 | 0 | 0 | 0 | 120.4 | ||||
| 1627 | F | 28.5 | Very low | 31.9 | Very low | 187 Ų | 187 | 128.5 Ų | 128.5 | 82% | 0.82 | 75% | 0.749 | S | S | * | * | trans | -62.9 | 178.8 | 140.2 | -87.9 | -107.9 | 0 | 0 | 0 | 110.5 | ||||
| 1628 | T | 30.9 | Very low | 31.6 | Very low | 97 Ų | 97 | 137 Ų | 137 | 60% | 0.595 | 76% | 0.759 | S | S | * | * | cis | -164.5 | -170.3 | 35.5 | -29 | 0 | 0 | 0 | 0 | 111.8 | I1630 | T1628-I1630 HydrophobicContact CG2-CD1 3.96Š| ||
| 1629 | F | 29.5 | Very low | 31.4 | Very low | 194 Ų | 194 | 140.7 Ų | 140.7 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | 85.4 | 109.1 | -179.8 | -66.5 | -83.1 | 0 | 0 | 0 | 114.8 | ||||
| 1630 | I | 30.4 | Very low | 31.1 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 70% | 0.697 | 76% | 0.755 | S | S | * | * | cis | 67.7 | 126.8 | 19.7 | -44.9 | 177.4 | 0 | 0 | 0 | 112.5 | T1628 | T1628-I1630 HydrophobicContact CG2-CD1 3.96Š| ||
| 1631 | S | 28.2 | Very low | 31.1 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | cis | -125.9 | -148.9 | -6.3 | 49.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1632 | D | 31 | Very low | 31 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | cis | -162.7 | -177.5 | -0.8 | -125.4 | -42.4 | 0 | 0 | 0 | 107.3 | ||||
| 1633 | S | 32.6 | Very low | 31 | Very low | 93 Ų | 93 | 140.7 Ų | 140.7 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | cis | -153.9 | 154.3 | -6.6 | 41.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1634 | F | 30.3 | Very low | 30.8 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 34.3 | 126.1 | 149.2 | -72.9 | -108.9 | 0 | 0 | 0 | 120.9 | ||||
| 1635 | L | 27.6 | Very low | 30.6 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | 94.6 | 136.9 | 50.8 | -92.6 | 164.4 | 0 | 0 | 0 | 114.8 | |||||
| 1636 | S | 31.8 | Very low | 30.2 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 67.6 | 130.9 | 174.2 | -154 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1637 | G | 28.8 | Very low | 29.9 | Very low | 60 Ų | 60 | 143.9 Ų | 143.9 | 62% | 0.619 | 77% | 0.765 | S | S | * | * | cis | 138 | 133.9 | -19.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1638 | R | 29 | Very low | 30.1 | Very low | 247 Ų | 247 | 140.8 Ų | 140.8 | 93% | 0.932 | 76% | 0.761 | S | S | * | * | trans | 65.6 | 139.5 | 170.5 | -62.6 | 174 | 173.5 | 172.6 | -3.3 | 113.8 | ||||
| 1639 | K | 29.9 | Very low | 30 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 79% | 0.787 | 77% | 0.774 | S | S | * | * | cis | -164.2 | 145.1 | 39.8 | -140.9 | 168.4 | -175.9 | -176.9 | 0 | 110.3 | ||||
| 1640 | T | 28.7 | Very low | 30 | Very low | 103 Ų | 103 | 140 Ų | 140 | 63% | 0.632 | 77% | 0.768 | S | S | * | * | trans | 41.9 | 133.3 | 150.8 | 50.2 | 0 | 0 | 0 | 0 | 120.2 | M1280 | M1280-T1640 HydrophobicContact CE-CG2 4.1Š| ||
| 1641 | V | 32.2 | Very low | 30 | Very low | 187 Ų | 187 | 140.4 Ų | 140.4 | 100% | 1.133 | 77% | 0.774 | S | S | * | * | cis | -126.2 | 0 | 27.6 | 177.6 | 0 | 0 | 0 | 0 | 112.4 | M1280 | M1280-V1641 HydrophobicContact CE-CG1 4.02Å; M1280-V1641 HydrophobicContact CE-CG2 4.34Å |
Retrieved 1,641 of 1,641 residues in 1568.6 ms
(Link to these results)