A0A060D895_MAIZE Loading...

B-box zinc finger protein 20

AlphaFold DB , UniProt , Accession A0A060D895, Species MAIZE (Zea mays, Maize), Gene Orphan134, Length 142 aa.

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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
1M67.4Low91.1Very high127 Ų12786.3 Ų86.363%0.62648%0.478SS*.  0146.10-65.5176.2-11600108.2L107M1-L107 HydrophobicContact CE-CD2 3.87Å; M1-L107 HydrophobicContact CE-CG 4.39Å; M1-L107 HydrophobicContact SD-CD2 4.08Å
2K80Confident91.2Very high158 Ų15880.9 Ų80.969%0.68745%0.454SS*.  trans-104.6127.7176.5-161.1-178-158.2-158.50108.1A12K2-A12 HydrophobicContact CD-CB 3.46Å; K2-A12 VanDerWaalsContact CD-CB 3.46Å; K2-A12 HydrophobicContact CG-CB 3.76Å
3V88.9Confident91.5Very high48 Ų4875.8 Ų75.829%0.29143%0.428SS..PPolyproline II helixtrans-81128.6175.9-1760000108.2A12 A13 A23 L47 V111V3-A12 WeakPolarHBondContact O-CA 3.22Å; V3-A13 HydrophobicContact CB-CB 4.35Å; V3-A13 HydrophobicContact CG1-CB 4.18Å; V3-A13 PolarHBondContact O-N 3.06Å; V3-A23 HydrophobicContact CG1-CB 3.49Å; V3-A23 VanDerWaalsContact CG1-CB 3.49Å; V3-L47 HydrophobicContact CB-CD1 4.22Å; V3-V111 HydrophobicContact CG2-CG1 4.47Å; V3-V111 HydrophobicContact CG2-CG2 3.43Å; V3-V111 VanDerWaalsContact CG2-CG2 3.43Å
4Q94.3Very high91.6Very high122 Ų12273.6 Ų73.657%0.5742%0.42SS*.BIsolated β-bridgetrans-84.2159.7174.3-72.1-176-45.400110.6D6 A9Q4-D6 PolarHBondContact O-N 3.41Å; Q4-A9 PolarHBondContact NE2-O 3.35Å
5C96.8Very high91.7Very high1 Ų168.9 Ų68.91%0.00739%0.393CS..PPolyproline II helixtrans-71.8125.7175.91760000111V7 C8 A9 E11 A23 C25C5-V7 PolarHBondContact O-N 3.41Å; C5-V7 VanDerWaalsContact O-N 3.14Å; C5-C8 VanDerWaalsContact CB-SG 3.59Å; C5-C8 PolarHBondContact O-N 3.49Å; C5-A9 VanDerWaalsContact O-CA 3.29Å; C5-A9 WeakPolarHBondContact O-CA 3.43Å; C5-A9 PolarHBondContact O-N 3.31Å; C5-E11 WeakPolarHBondContact CB-O 3.49Å; C5-E11 PolarHBondContact N-O 3.16Å; C5-A23 CarbonylContact C-O 3.52Å; C5-A23 WeakPolarHBondContact CA-O 3.39Å; C5-C25 HydrophobicContact CB-CB 3.83Å; C5-C25 PolarHBondContact SG-N 3.3Å
6D96.9Very high92Very high104 Ų10468.3 Ų68.356%0.55639%0.385SS*.THydrogen-bonded Turntrans-64.4-21.8-177.9-59.8-26.6000113.5Q4 A22 A23Q4-D6 PolarHBondContact O-N 3.41Å; D6-A22 VanDerWaalsContact OD2-CA 3.22Å; D6-A22 WeakPolarHBondContact OD2-CA 3.3Å; D6-A23 PolarHBondContact N-O 3.28Å; D6-A23 PolarHBondContact OD2-N 3.09Å
7V96.4Very high92.1Very high81 Ų8164.2 Ų64.249%0.49136%0.362SS..THydrogen-bonded Turntrans-89.7-41.3-177176.60000112.6C5 L24 C28C5-V7 PolarHBondContact O-N 3.41Å; C5-V7 VanDerWaalsContact O-N 3.14Å; V7-L24 HydrophobicContact CB-CD2 4.45Å; V7-L24 HydrophobicContact CG2-CD2 3.52Å; V7-C28 HydrophobicContact CB-CB 4.11Å; V7-C28 HydrophobicContact CG1-CB 4.38Å; V7-C28 HydrophobicContact CG2-CB 4.46Å
8C97.2Very high92.2Very high52 Ų5262.4 Ų62.435%0.35135%0.354SS..THydrogen-bonded Turntrans-111.3-17.6-173.969.80000114.3C5 A10C5-C8 VanDerWaalsContact CB-SG 3.59Å; C5-C8 PolarHBondContact O-N 3.49Å; C8-A10 PolarHBondContact O-N 3.26Å
9A96Very high92.3Very high62 Ų6262.4 Ų62.451%0.51236%0.362SS..SBendtrans53.7-4.8-173.800000116.5Q4 C5Q4-A9 PolarHBondContact NE2-O 3.35Å; C5-A9 VanDerWaalsContact O-CA 3.29Å; C5-A9 WeakPolarHBondContact O-CA 3.43Å; C5-A9 PolarHBondContact O-N 3.31Å
10A94.5Very high92.4Very high74 Ų7462.9 Ų62.961%0.61236%0.363SS*.SBendtrans-88.3-41.7-175.300000112.6C8C8-A10 PolarHBondContact O-N 3.26Å
11E93.4Very high92.6Very high120 Ų12067.6 Ų67.656%0.56138%0.382SS*.SBendtrans-104.8155-175.6-69.5-60.7127.700111.5C5 C25C5-E11 WeakPolarHBondContact CB-O 3.49Å; C5-E11 PolarHBondContact N-O 3.16Å; E11-C25 HydrophobicContact CB-CB 3.67Å
12A93Very high93.9Very high22 Ų2262.2 Ų62.218%0.18236%0.358CS..BIsolated β-bridgetrans-71.8142.4172.200000112K2 V3 C25K2-A12 HydrophobicContact CD-CB 3.46Å; K2-A12 VanDerWaalsContact CD-CB 3.46Å; K2-A12 HydrophobicContact CG-CB 3.76Å; V3-A12 WeakPolarHBondContact O-CA 3.22Å; A12-C25 WeakPolarHBondContact O-CB 3.35Å
13A94.2Very high94.7Very high14 Ų1455 Ų5512%0.11633%0.328CS..  trans-68.9138.217300000110.4V3 A23 L24 L47V3-A13 HydrophobicContact CB-CB 4.35Å; V3-A13 HydrophobicContact CG1-CB 4.18Å; V3-A13 PolarHBondContact O-N 3.06Å; A13-A23 HydrophobicContact CB-CB 3.58Å; A13-L24 WeakPolarHBondContact CA-O 3.24Å; A13-L47 HydrophobicContact CB-CD1 3.47Å; A13-L47 VanDerWaalsContact CB-CD1 3.47Å
14S93.4Very high95Very high46 Ų4652.9 Ų52.932%0.32232%0.315SS..  trans-120.2-12.3173.458.90000111.9L24 E26 S46 L47S14-L24 PolarHBondContact N-O 2.98Å; S14-E26 PolarHBondContact OG-N 3.1Å; S14-S46 WeakPolarHBondContact O-CA 3.43Å; S14-L47 PolarHBondContact O-N 2.97Å
15V93.9Very high95.1Very high3 Ų347.4 Ų47.42%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-133.1140.4-177.7-167.60000108.9A23 L24 D29 R44 L45V15-A23 CarbonylContact O-C 3.5Å; V15-A23 WeakPolarHBondContact O-CA 3.49Å; V15-L24 PolarHBondContact N-O 2.88Å; V15-L24 VanDerWaalsContact N-O 3.07Å; V15-L24 PolarHBondContact O-N 2.96Å; V15-D29 HydrophobicContact CB-CB 4.45Å; V15-D29 HydrophobicContact CG2-CB 4.22Å; V15-R44 HydrophobicContact CG1-CB 3.73Å; V15-R44 HydrophobicContact CG1-CG 4.14Å; V15-L45 CarbonylContact C-O 3.47Å; V15-L45 WeakPolarHBondContact CA-O 3.38Å
16F95Very high95Very high58 Ų5852.4 Ų52.425%0.25431%0.313SS..EExtended strand (participates in β ladder)trans-110.8122.5166-178.1-103.7000109.3A22 A23 R44 L45 L47 L113F16-A22 WeakPolarHBondContact CA-O 3.35Å; F16-A23 HydrophobicContact CD2-CB 4.45Å; F16-R44 CarbonylContact O-C 3.57Å; F16-R44 VanDerWaalsContact O-CA 3.28Å; F16-R44 WeakPolarHBondContact O-CA 3.45Å; F16-L45 PolarHBondContact N-O 3.35Å; F16-L45 PolarHBondContact O-N 2.85Å; F16-L47 HydrophobicContact CB-CD2 3.76Å; F16-L113 HydrophobicContact CB-CD2 4.28Å
17C95.3Very high94.9Very high0 Ų050.3 Ų50.30%031%0.31CS..EExtended strand (participates in β ladder)trans-88.2117.1171.5-178.20000109.4A19 D20 E21 A22 H33 H42 R44C17-A19 VanDerWaalsContact C-N 3.33Å; C17-A19 PolarHBondContact O-N 2.85Å; C17-D20 HydrophobicContact CB-CB 4.2Å; C17-D20 PolarHBondContact SG-OD2 2.93Å; C17-E21 WeakPolarHBondContact O-CA 3.14Å; C17-E21 PolarHBondContact O-N 2.78Å; C17-A22 PolarHBondContact N-O 2.98Å; C17-A22 PolarHBondContact O-N 3Å; C17-H33 PolarHBondContact SG-NE2 2.93Å; C17-H42 VanDerWaalsContact SG-CB 3.5Å; C17-R44 HydrophobicContact CB-CG 4.46Å
18C93.8Very high94.9Very high31 Ų3146.6 Ų46.621%0.20929%0.288CS..THydrogen-bonded Turntrans-70.5-28.9-179.1-59.70000113.3R43C18-R43 HydrophobicContact CB-CB 4.26Å; C18-R43 WeakPolarHBondContact CB-O 3.11Å; C18-R43 PolarHBondContact N-O 3.46Å; C18-R43 PolarHBondContact SG-NE 2.91Å; C18-R43 VanDerWaalsContact SG-NE 3.39Å
19A94Very high94.9Very high62 Ų6244.5 Ų44.551%0.51227%0.273SS..THydrogen-bonded Turntrans-79.5-34.2-177.400000112.1C17 H42C17-A19 VanDerWaalsContact C-N 3.33Å; C17-A19 PolarHBondContact O-N 2.85Å; A19-H42 HydrophobicContact CB-CB 3.88Å
20D94.4Very high94.8Very high72 Ų7246.8 Ų46.839%0.38527%0.268SS..THydrogen-bonded Turntrans-93.9-1.6178.5-56.1-47.7000112.3C17 A22 H42C17-D20 HydrophobicContact CB-CB 4.2Å; C17-D20 PolarHBondContact SG-OD2 2.93Å; D20-A22 HydrophobicContact CB-CB 4.14Å; D20-A22 PolarHBondContact O-N 2.93Å; D20-A22 VanDerWaalsContact O-N 3.07Å; D20-H42 IonicContact OD1-CE1 3.24Å; D20-H42 PolarHBondContact OD1-CE1 2.89Å; D20-H42 VanDerWaalsContact OD1-CE1 3.24Å; D20-H42 IonicContact OD1-ND1 2.79Å; D20-H42 PolarHBondContact OD1-ND1 3.39Å; D20-H42 IonicContact OD2-CE1 3.86Å; D20-H42 IonicContact OD2-ND1 3.97Å; D20-H42 PolarHBondContact OD2-ND1 2.99Å
21E95.5Very high94.8Very high162 Ų16251.4 Ų51.476%0.75727%0.27SS*.THydrogen-bonded Turntrans48.931.9-173.4-59.9-174.6163.800113.8C17C17-E21 WeakPolarHBondContact O-CA 3.14Å; C17-E21 PolarHBondContact O-N 2.78Å
22A95.7Very high94.8Very high15 Ų1547.9 Ų47.912%0.12426%0.257CS..EExtended strand (participates in β ladder)trans-119.9136.2-16800000113.3D6 F16 C17 D20 L24D6-A22 VanDerWaalsContact OD2-CA 3.22Å; D6-A22 WeakPolarHBondContact OD2-CA 3.3Å; F16-A22 WeakPolarHBondContact CA-O 3.35Å; C17-A22 PolarHBondContact N-O 2.98Å; C17-A22 PolarHBondContact O-N 3Å; D20-A22 HydrophobicContact CB-CB 4.14Å; D20-A22 PolarHBondContact O-N 2.93Å; D20-A22 VanDerWaalsContact O-N 3.07Å; A22-L24 HydrophobicContact CB-CD2 4.12Å; A22-L24 HydrophobicContact CB-CG 4.43Å
23A95.5Very high94.8Very high6 Ų647.2 Ų47.25%0.0525%0.25CC..EExtended strand (participates in β ladder)trans-87.1117.616900000110V3 C5 D6 A13 V15 F16 L47V3-A23 HydrophobicContact CG1-CB 3.49Å; V3-A23 VanDerWaalsContact CG1-CB 3.49Å; C5-A23 CarbonylContact C-O 3.52Å; C5-A23 WeakPolarHBondContact CA-O 3.39Å; D6-A23 PolarHBondContact N-O 3.28Å; D6-A23 PolarHBondContact OD2-N 3.09Å; A13-A23 HydrophobicContact CB-CB 3.58Å; V15-A23 CarbonylContact O-C 3.5Å; V15-A23 WeakPolarHBondContact O-CA 3.49Å; F16-A23 HydrophobicContact CD2-CB 4.45Å; A23-L47 HydrophobicContact CB-CD1 4.34Å
24L95.7Very high94.7Very high3 Ų354 Ų542%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-118139.2-173.4-56179.5000111V7 A13 S14 V15 A22 C28 D29 V32V7-L24 HydrophobicContact CB-CD2 4.45Å; V7-L24 HydrophobicContact CG2-CD2 3.52Å; A13-L24 WeakPolarHBondContact CA-O 3.24Å; S14-L24 PolarHBondContact N-O 2.98Å; V15-L24 PolarHBondContact N-O 2.88Å; V15-L24 VanDerWaalsContact N-O 3.07Å; V15-L24 PolarHBondContact O-N 2.96Å; A22-L24 HydrophobicContact CB-CD2 4.12Å; A22-L24 HydrophobicContact CB-CG 4.43Å; L24-C28 HydrophobicContact CB-CB 4.43Å; L24-C28 HydrophobicContact CD2-CB 4.36Å; L24-D29 HydrophobicContact CB-CB 4.12Å; L24-D29 HydrophobicContact CD1-CB 4.4Å; L24-V32 HydrophobicContact CD1-CB 4.36Å; L24-V32 HydrophobicContact CD1-CG2 4.33Å
25C95.9Very high94.6Very high8 Ų856 Ų565%0.05429%0.292CS..  trans-69.5162.4160.971.70000109.3C5 E11 A12 A27 C28 D29C5-C25 HydrophobicContact CB-CB 3.83Å; C5-C25 PolarHBondContact SG-N 3.3Å; E11-C25 HydrophobicContact CB-CB 3.67Å; A12-C25 WeakPolarHBondContact O-CB 3.35Å; C25-A27 PolarHBondContact O-N 2.8Å; C25-C28 PolarHBondContact O-N 3.29Å; C25-C28 VanDerWaalsContact O-N 3.15Å; C25-C28 PolarHBondContact SG-N 3.31Å; C25-C28 VanDerWaalsContact SG-N 3.44Å; C25-D29 WeakPolarHBondContact O-CB 3.09Å; C25-D29 PolarHBondContact O-N 3.07Å
26E94.6Very high94.2Very high106 Ų10660 Ų6050%0.49531%0.313SS..Hα-helixtrans-58.2-35.4-177.3-170.7179.4-169.800113.1S14 R30S14-E26 PolarHBondContact OG-N 3.1Å; E26-R30 VanDerWaalsContact O-CG 3.27Å; E26-R30 WeakPolarHBondContact O-CG 3.33Å; E26-R30 PolarHBondContact O-N 3.07Å; E26-R30 VanDerWaalsContact O-N 3.15Å; E26-R30 IonicContact OE1-CZ 3.47Å; E26-R30 IonicContact OE1-NE 3.81Å; E26-R30 IonicContact OE1-NH2 3.01Å; E26-R30 PolarHBondContact OE1-NH2 2.98Å; E26-R30 IonicContact OE2-NH2 3.38Å
27A96Very high93.9Very high60 Ų6066.1 Ų66.150%0.49634%0.339SS..Hα-helixtrans-66.7-46.1177.900000112C25 R31C25-A27 PolarHBondContact O-N 2.8Å; A27-R31 WeakPolarHBondContact O-CG 3.49Å; A27-R31 PolarHBondContact O-N 3.39Å; A27-R31 VanDerWaalsContact O-N 3.16Å
28C96.7Very high93.7Very high3 Ų371.5 Ų71.52%0.0237%0.368CS..Hα-helixtrans-70.3-39.3178.1-69.60000111.8V7 L24 C25 R30 R31 V32V7-C28 HydrophobicContact CB-CB 4.11Å; V7-C28 HydrophobicContact CG1-CB 4.38Å; V7-C28 HydrophobicContact CG2-CB 4.46Å; L24-C28 HydrophobicContact CB-CB 4.43Å; L24-C28 HydrophobicContact CD2-CB 4.36Å; C25-C28 PolarHBondContact O-N 3.29Å; C25-C28 VanDerWaalsContact O-N 3.15Å; C25-C28 PolarHBondContact SG-N 3.31Å; C25-C28 VanDerWaalsContact SG-N 3.44Å; C28-R30 VanDerWaalsContact C-N 3.32Å; C28-R30 PolarHBondContact O-N 3.14Å; C28-R31 PolarHBondContact O-N 3.33Å; C28-R31 VanDerWaalsContact O-N 3.11Å; C28-V32 WeakPolarHBondContact O-CG2 3.27Å; C28-V32 PolarHBondContact O-N 3.19Å
29D95.3Very high93.6Very high8 Ų870.6 Ų70.64%0.04336%0.362CS..Hα-helixtrans-52.5-51172.9169.662.4000111.1V15 L24 C25 R31 V32 H33 R44V15-D29 HydrophobicContact CB-CB 4.45Å; V15-D29 HydrophobicContact CG2-CB 4.22Å; L24-D29 HydrophobicContact CB-CB 4.12Å; L24-D29 HydrophobicContact CD1-CB 4.4Å; C25-D29 WeakPolarHBondContact O-CB 3.09Å; C25-D29 PolarHBondContact O-N 3.07Å; D29-R31 VanDerWaalsContact C-N 3.34Å; D29-R31 PolarHBondContact O-N 3.33Å; D29-V32 PolarHBondContact O-N 3.29Å; D29-H33 WeakPolarHBondContact O-CB 3.03Å; D29-H33 PolarHBondContact O-N 3.43Å; D29-H33 PolarHBondContact O-ND1 3.41Å; D29-H33 IonicContact OD1-CE1 2.61Å; D29-H33 PolarHBondContact OD1-CE1 3.29Å; D29-H33 IonicContact OD1-CG 3.76Å; D29-H33 IonicContact OD1-ND1 3.62Å; D29-H33 PolarHBondContact OD1-ND1 2.89Å; D29-R44 WeakPolarHBondContact OD1-CD 3.22Å; D29-R44 IonicContact OD1-CZ 3.72Å; D29-R44 IonicContact OD1-NE 3.82Å; D29-R44 IonicContact OD1-NH1 2.83Å; D29-R44 PolarHBondContact OD1-NH1 3.11Å; D29-R44 IonicContact OD2-CZ 3.16Å; D29-R44 IonicContact OD2-NH1 3Å; D29-R44 PolarHBondContact OD2-NH1 2.83Å
30R94.6Very high93.4Very high109 Ų10968.9 Ų68.941%0.41135%0.351SS..Hα-helixtrans-62.5-38.9178.3-69.7168.9-175.3174.31.1112.4E26 C28 R34E26-R30 VanDerWaalsContact O-CG 3.27Å; E26-R30 WeakPolarHBondContact O-CG 3.33Å; E26-R30 PolarHBondContact O-N 3.07Å; E26-R30 VanDerWaalsContact O-N 3.15Å; E26-R30 IonicContact OE1-CZ 3.47Å; E26-R30 IonicContact OE1-NE 3.81Å; E26-R30 IonicContact OE1-NH2 3.01Å; E26-R30 PolarHBondContact OE1-NH2 2.98Å; E26-R30 IonicContact OE2-NH2 3.38Å; C28-R30 VanDerWaalsContact C-N 3.32Å; C28-R30 PolarHBondContact O-N 3.14Å; R30-R34 WeakPolarHBondContact O-CB 3.4Å; R30-R34 WeakPolarHBondContact O-CD 3.48Å; R30-R34 WeakPolarHBondContact O-CG 3.37Å; R30-R34 PolarHBondContact O-N 3.04Å; R30-R34 VanDerWaalsContact O-N 3.14Å
31R94.4Very high93.3Very high171 Ų17173.7 Ų73.765%0.64537%0.368SS*.Hα-helixtrans-66.1-49.4179.6-74.1168.761.7-157.3-0.8111.1A27 C28 D29 A35A27-R31 WeakPolarHBondContact O-CG 3.49Å; A27-R31 PolarHBondContact O-N 3.39Å; A27-R31 VanDerWaalsContact O-N 3.16Å; C28-R31 PolarHBondContact O-N 3.33Å; C28-R31 VanDerWaalsContact O-N 3.11Å; D29-R31 VanDerWaalsContact C-N 3.34Å; D29-R31 PolarHBondContact O-N 3.33Å; R31-A35 WeakPolarHBondContact O-CB 3.38Å; R31-A35 PolarHBondContact O-N 2.61Å
32V94.2Very high93.2Very high46 Ų4668.3 Ų68.328%0.27934%0.343SS..Hα-helixtrans-64.5-52-179.2174.30000110.7L24 C28 D29 R34 A35 A39L24-V32 HydrophobicContact CD1-CB 4.36Å; L24-V32 HydrophobicContact CD1-CG2 4.33Å; C28-V32 WeakPolarHBondContact O-CG2 3.27Å; C28-V32 PolarHBondContact O-N 3.19Å; D29-V32 PolarHBondContact O-N 3.29Å; V32-R34 VanDerWaalsContact C-N 3.32Å; V32-R34 PolarHBondContact O-N 3.24Å; V32-A35 PolarHBondContact O-N 3.48Å; V32-A39 WeakPolarHBondContact O-CB 3.32Å
33H93.6Very high93.1Very high8 Ų875.3 Ų75.34%0.03737%0.366CS..Hα-helixtrans-81.2-8.7-171.7-62.282.9000114.1C17 D29 A39 G40 R44C17-H33 PolarHBondContact SG-NE2 2.93Å; D29-H33 WeakPolarHBondContact O-CB 3.03Å; D29-H33 PolarHBondContact O-N 3.43Å; D29-H33 PolarHBondContact O-ND1 3.41Å; D29-H33 IonicContact OD1-CE1 2.61Å; D29-H33 PolarHBondContact OD1-CE1 3.29Å; D29-H33 IonicContact OD1-CG 3.76Å; D29-H33 IonicContact OD1-ND1 3.62Å; D29-H33 PolarHBondContact OD1-ND1 2.89Å; H33-A39 PolarHBondContact CD2-O 3.46Å; H33-G40 VanDerWaalsContact O-CA 3.24Å; H33-G40 WeakPolarHBondContact O-CA 3.44Å; H33-G40 PolarHBondContact O-N 3.39Å; H33-R44 VanDerWaalsContact CD2-CD 3.49Å; H33-R44 WeakPolarHBondContact CD2-CD 3.28Å; H33-R44 WeakPolarHBondContact NE2-CD 3.4Å
34R91.2Very high93Very high157 Ų15775.3 Ų75.359%0.59237%0.365SS*.Hα-helixtrans-99.2-15.7169.7-65.9-179.8172.8-172.80.7113.7R30 V32 N36R30-R34 WeakPolarHBondContact O-CB 3.4Å; R30-R34 WeakPolarHBondContact O-CD 3.48Å; R30-R34 WeakPolarHBondContact O-CG 3.37Å; R30-R34 PolarHBondContact O-N 3.04Å; R30-R34 VanDerWaalsContact O-N 3.14Å; V32-R34 VanDerWaalsContact C-N 3.32Å; V32-R34 PolarHBondContact O-N 3.24Å; R34-N36 VanDerWaalsContact C-N 3.3Å; R34-N36 PolarHBondContact O-N 3.24Å
35A90.2Very high92.9Very high88 Ų8876.2 Ų76.273%0.72737%0.37SS*.Hα-helixtrans-63.3-37-179.600000112R31 V32R31-A35 WeakPolarHBondContact O-CB 3.38Å; R31-A35 PolarHBondContact O-N 2.61Å; V32-A35 PolarHBondContact O-N 3.48Å
36N87.1Confident92.8Very high87 Ų8777.6 Ų77.647%0.46538%0.38SS..  trans-139.7145.5178.6-172.2-11.8000111.3R34 L38 A39 G40R34-N36 VanDerWaalsContact C-N 3.3Å; R34-N36 PolarHBondContact O-N 3.24Å; N36-L38 PolarHBondContact O-N 2.96Å; N36-L38 PolarHBondContact OD1-N 3.47Å; N36-L38 VanDerWaalsContact OD1-N 3.09Å; N36-A39 HydrophobicContact CB-CB 4.41Å; N36-A39 PolarHBondContact O-N 3.03Å; N36-G40 PolarHBondContact O-N 2.84Å
37K88.6Confident92.6Very high186 Ų18673.8 Ų73.881%0.80936%0.362SS*.THydrogen-bonded Turntrans-57.8-30171.9-64.8-176.5-177.3-179.10112.9
38L91.7Very high91.9Very high113 Ų11374.8 Ų74.859%0.59236%0.359SS*.THydrogen-bonded Turntrans-68-50.7175.4-65.8177.8000110.9N36 G40 K41 H42N36-L38 PolarHBondContact O-N 2.96Å; N36-L38 PolarHBondContact OD1-N 3.47Å; N36-L38 VanDerWaalsContact OD1-N 3.09Å; L38-G40 VanDerWaalsContact C-N 3.26Å; L38-G40 PolarHBondContact O-N 2.79Å; L38-K41 WeakPolarHBondContact O-CB 3.35Å; L38-K41 PolarHBondContact O-N 3.15Å; L38-H42 PolarHBondContact O-CD2 2.84Å
39A90.5Very high90.7Very high12 Ų1278.9 Ų78.910%0.09939%0.387CS..G310 helixtrans-56.6-42175.900000111.1V32 H33 N36 K41 H42V32-A39 WeakPolarHBondContact O-CB 3.32Å; H33-A39 PolarHBondContact CD2-O 3.46Å; N36-A39 HydrophobicContact CB-CB 4.41Å; N36-A39 PolarHBondContact O-N 3.03Å; A39-K41 PolarHBondContact O-N 3.37Å; A39-H42 VanDerWaalsContact O-CB 3.3Å; A39-H42 WeakPolarHBondContact O-CB 3.46Å; A39-H42 PolarHBondContact O-N 2.78Å
40G89.5Confident89.1Confident26 Ų2682.5 Ų82.527%0.26841%0.411SS..G310 helixtrans-58.2-13.3176.400000116.1H33 N36 L38H33-G40 VanDerWaalsContact O-CA 3.24Å; H33-G40 WeakPolarHBondContact O-CA 3.44Å; H33-G40 PolarHBondContact O-N 3.39Å; N36-G40 PolarHBondContact O-N 2.84Å; L38-G40 VanDerWaalsContact C-N 3.26Å; L38-G40 PolarHBondContact O-N 2.79Å
41K92Very high87.3Confident173 Ų17381.1 Ų81.175%0.75242%0.423SS*.G310 helixtrans-96.7-4.5174.7-62.8179.6-173.8-175.70113.7L38 A39 R43L38-K41 WeakPolarHBondContact O-CB 3.35Å; L38-K41 PolarHBondContact O-N 3.15Å; A39-K41 PolarHBondContact O-N 3.37Å; K41-R43 PolarHBondContact O-N 2.94Å
42H94Very high85.3Confident49 Ų4976.5 Ų76.523%0.22742%0.422CS..SBendtrans-59.8138.2179-65.3-176000110.3C17 A19 D20 L38 A39 R44C17-H42 VanDerWaalsContact SG-CB 3.5Å; A19-H42 HydrophobicContact CB-CB 3.88Å; D20-H42 IonicContact OD1-CE1 3.24Å; D20-H42 PolarHBondContact OD1-CE1 2.89Å; D20-H42 VanDerWaalsContact OD1-CE1 3.24Å; D20-H42 IonicContact OD1-ND1 2.79Å; D20-H42 PolarHBondContact OD1-ND1 3.39Å; D20-H42 IonicContact OD2-CE1 3.86Å; D20-H42 IonicContact OD2-ND1 3.97Å; D20-H42 PolarHBondContact OD2-ND1 2.99Å; L38-H42 PolarHBondContact O-CD2 2.84Å; A39-H42 VanDerWaalsContact O-CB 3.3Å; A39-H42 WeakPolarHBondContact O-CB 3.46Å; A39-H42 PolarHBondContact O-N 2.78Å; H42-R44 PolarHBondContact O-N 3.4Å
43R93.6Very high83.2Confident163 Ų16380.9 Ų80.962%0.61545%0.451SS*.  trans-69.4121.9174.5-174.5175.473.6-175.41.3108.2C18 K41 P117C18-R43 HydrophobicContact CB-CB 4.26Å; C18-R43 WeakPolarHBondContact CB-O 3.11Å; C18-R43 PolarHBondContact N-O 3.46Å; C18-R43 PolarHBondContact SG-NE 2.91Å; C18-R43 VanDerWaalsContact SG-NE 3.39Å; K41-R43 PolarHBondContact O-N 2.94Å; R43-P117 HydrophobicContact CG-CB 4.31Å
44R93.8Very high81Confident5 Ų584.5 Ų84.52%0.01948%0.478CS..EExtended strand (participates in β ladder)trans-119.7138.1-179.3-68.9179.3-67.7155.325.3110.5V15 F16 C17 D29 H33 H42 P117 Q118 S119 P120V15-R44 HydrophobicContact CG1-CB 3.73Å; V15-R44 HydrophobicContact CG1-CG 4.14Å; F16-R44 CarbonylContact O-C 3.57Å; F16-R44 VanDerWaalsContact O-CA 3.28Å; F16-R44 WeakPolarHBondContact O-CA 3.45Å; C17-R44 HydrophobicContact CB-CG 4.46Å; D29-R44 WeakPolarHBondContact OD1-CD 3.22Å; D29-R44 IonicContact OD1-CZ 3.72Å; D29-R44 IonicContact OD1-NE 3.82Å; D29-R44 IonicContact OD1-NH1 2.83Å; D29-R44 PolarHBondContact OD1-NH1 3.11Å; D29-R44 IonicContact OD2-CZ 3.16Å; D29-R44 IonicContact OD2-NH1 3Å; D29-R44 PolarHBondContact OD2-NH1 2.83Å; H33-R44 VanDerWaalsContact CD2-CD 3.49Å; H33-R44 WeakPolarHBondContact CD2-CD 3.28Å; H33-R44 WeakPolarHBondContact NE2-CD 3.4Å; H42-R44 PolarHBondContact O-N 3.4Å; R44-P117 CarbonylContact O-C 3.56Å; R44-P117 VanDerWaalsContact O-CA 3.22Å; R44-P117 WeakPolarHBondContact O-CA 3.42Å; R44-Q118 HydrophobicContact CB-CB 4.27Å; R44-Q118 PolarHBondContact NH2-O 3.12Å; R44-Q118 PolarHBondContact O-N 3.23Å; R44-S119 PolarHBondContact NH2-O 3.03Å; R44-P120 VanDerWaalsContact NH2-CA 3.33Å
45L93.6Very high79Confident23 Ų2382.8 Ų82.812%0.1249%0.49CS..EExtended strand (participates in β ladder)trans-119.7140.2-179.6-55.5174.9000108.9V15 F16 L113V15-L45 CarbonylContact C-O 3.47Å; V15-L45 WeakPolarHBondContact CA-O 3.38Å; F16-L45 PolarHBondContact N-O 3.35Å; F16-L45 PolarHBondContact O-N 2.85Å; L45-L113 HydrophobicContact CB-CB 4.32Å; L45-L113 HydrophobicContact CB-CD2 4.32Å; L45-L113 HydrophobicContact CD1-CB 4.36Å; L45-L113 HydrophobicContact CD1-CD1 3.76Å
46S93.3Very high77.1Confident37 Ų3783.7 Ų83.726%0.25949%0.491SS..EExtended strand (participates in β ladder)trans-74.8130.7173.6-54.80000110S14 L48 L113 S114 Q118S14-S46 WeakPolarHBondContact O-CA 3.43Å; S46-L48 PolarHBondContact O-N 3.48Å; S46-L113 CarbonylContact O-C 3.54Å; S46-L113 VanDerWaalsContact O-CA 3.32Å; S46-L113 WeakPolarHBondContact O-CA 3.47Å; S46-S114 WeakPolarHBondContact CB-OG 3.26Å; S46-S114 PolarHBondContact N-OG 2.91Å; S46-S114 PolarHBondContact O-N 3.16Å; S46-S114 PolarHBondContact OG-OG 3Å; S46-Q118 WeakPolarHBondContact OG-CG 3.36Å; S46-Q118 PolarHBondContact OG-NE2 3.05Å
47L90.7Very high75.2Confident26 Ų2683.9 Ų83.914%0.13650%0.504CS..EExtended strand (participates in β ladder)trans-76.4112.1165.3-56.8-171.1000107.7V3 A13 S14 F16 A23 S49 V111 L113V3-L47 HydrophobicContact CB-CD1 4.22Å; A13-L47 HydrophobicContact CB-CD1 3.47Å; A13-L47 VanDerWaalsContact CB-CD1 3.47Å; S14-L47 PolarHBondContact O-N 2.97Å; F16-L47 HydrophobicContact CB-CD2 3.76Å; A23-L47 HydrophobicContact CB-CD1 4.34Å; L47-S49 PolarHBondContact O-N 2.76Å; L47-V111 HydrophobicContact CB-CG1 4.47Å; L47-V111 HydrophobicContact CD2-CG1 3.82Å; L47-L113 HydrophobicContact CD2-CD2 3.12Å; L47-L113 HydrophobicContact CG-CD2 4.47Å
48L82.4Confident73.6Confident81 Ų8182.7 Ų82.742%0.42450%0.501SS..EExtended strand (participates in β ladder)trans-75.1119.2170.6-61.9101.1000107.7S46 R112 S114S46-L48 PolarHBondContact O-N 3.48Å; L48-R112 HydrophobicContact CB-CB 4.11Å; L48-R112 HydrophobicContact CD1-CB 3.97Å; L48-R112 PolarHBondContact N-O 3.15Å; L48-S114 VanDerWaalsContact CD1-N 3.29Å
49S70.4Confident72Confident88 Ų8887 Ų8762%0.61552%0.518SS*.  trans-60.7135.7167.7-170.10000107.7L47 A51L47-S49 PolarHBondContact O-N 2.76Å; S49-A51 PolarHBondContact O-N 2.85Å
50P62.4Low70.7Confident84 Ų8490.6 Ų90.655%0.54554%0.54SS..  trans-62.994.2164.926.1-30.1000106.2
51A56Low69.7Low80 Ų8093.3 Ų93.366%0.66155%0.552SS**  trans-64141.5179.200000108S49S49-A51 PolarHBondContact O-N 2.85Å
52A53Low69Low74 Ų7490.2 Ų90.261%0.61255%0.55SS*.  trans-49.5151.6164.300000109.3S54A52-S54 PolarHBondContact O-N 2.83Å; A52-S54 PolarHBondContact O-OG 3.39Å
53P49.4Very low68.4Low138 Ų13890.1 Ų90.190%0.89655%0.553SS**  trans-69.173.4177.930-34.4000109.9
54S47Very low68.3Low85 Ų8584.6 Ų84.659%0.59454%0.539SS*.  trans-104.679.4172.854.50000107.9A52 S56A52-S54 PolarHBondContact O-N 2.83Å; A52-S54 PolarHBondContact O-OG 3.39Å; S54-S56 PolarHBondContact O-N 2.86Å
55S49.3Very low68.3Low121 Ų12188 Ų8885%0.84656%0.557SS**SBendtrans47-8.8142-34.70000122.5
56S50.8Low68.5Low107 Ų10786.9 Ų86.975%0.74855%0.551SS**SBendtrans-162.4130.4-174-58.50000110.3S54S54-S56 PolarHBondContact O-N 2.86Å
57A47.9Very low68.7Low90 Ų9088.7 Ų88.774%0.74456%0.558SS**SBendtrans93.2111.9167.700000117.7
58Q55.3Low68.9Low161 Ų16192.3 Ų92.375%0.75258%0.576SS**  trans67.378164.3-88.77324.100118.3T60Q58-T60 VanDerWaalsContact C-N 3.29Å; Q58-T60 PolarHBondContact O-N 3.5Å; Q58-T60 PolarHBondContact O-OG1 3.07Å
59Q57.9Low69.7Low203 Ų20390.2 Ų90.295%0.94957%0.568SS**  trans22.458.6133.6-145164.714.600116.3
60T62Low70.9Confident89 Ų8991.3 Ų91.355%0.54656%0.563SS.*  trans-95.2115.2174.5-41.20000106.5Q58Q58-T60 VanDerWaalsContact C-N 3.29Å; Q58-T60 PolarHBondContact O-N 3.5Å; Q58-T60 PolarHBondContact O-OG1 3.07Å
61P69.4Low72.4Confident82 Ų8295 Ų9553%0.53257%0.573SS.*PPolyproline II helixtrans-61.4145.2178.724.4-32000109.5
62P77.2Confident74.2Confident108 Ų10895.8 Ų95.870%0.70156%0.562SS**PPolyproline II helixtrans-56.5154.4174.526.3-34.1000110
63P80.7Confident76.1Confident47 Ų47100 Ų10031%0.30556%0.562SS.*PPolyproline II helixtrans-60.1150172.623.3-27.2000110.2R73P63-R73 VanDerWaalsContact CG-CZ 3.44Å
64P91Very high78.2Confident47 Ų4793.7 Ų93.731%0.30552%0.522SS..PPolyproline II helixtrans-62.2145.5-178.128.3-35.1000110.8G74 I84 L108P64-G74 PolarHBondContact O-N 2.85Å; P64-I84 HydrophobicContact CB-CD1 3.69Å; P64-I84 HydrophobicContact CB-CG2 4.23Å; P64-I84 HydrophobicContact CG-CD1 3.93Å; P64-I84 HydrophobicContact CG-CG2 4.21Å; P64-L108 HydrophobicContact CG-CD1 4.19Å
65L94.6Very high80.4Confident76 Ų7692.9 Ų92.940%0.39851%0.51SS..BIsolated β-bridgetrans-85.7166.8170.8-61.4174000109.5Q70 K72L65-Q70 WeakPolarHBondContact CD1-O 3.4Å; L65-K72 CarbonylContact C-O 3.46Å; L65-K72 WeakPolarHBondContact CA-O 3.46Å
66C97.2Very high82.7Confident0 Ų088.7 Ų88.70%048%0.478CS..PPolyproline II helixtrans-67.1131.7173.1-178.60000110.1I68 C69 Q70 K72 I84 C86C66-I68 PolarHBondContact O-N 2.85Å; C66-C69 VanDerWaalsContact CB-SG 3.55Å; C66-Q70 WeakPolarHBondContact O-CA 3.29Å; C66-Q70 VanDerWaalsContact O-CD 3.27Å; C66-Q70 PolarHBondContact O-N 3.15Å; C66-Q70 PolarHBondContact O-NE2 2.77Å; C66-K72 PolarHBondContact N-O 2.97Å; C66-I84 CarbonylContact C-O 3.56Å; C66-I84 WeakPolarHBondContact CA-O 3.32Å; C66-C86 HydrophobicContact CB-CB 3.85Å; C66-C86 PolarHBondContact SG-N 3.18Å; C66-C86 VanDerWaalsContact SG-SG 3.62Å
67D97.2Very high84.9Confident76 Ų7686.8 Ų86.841%0.40646%0.457SS..THydrogen-bonded Turntrans-65.9-25.3179.8-70.6-24.7000112.8Q70 A83 I84D67-Q70 VanDerWaalsContact CA-NE2 3.32Å; D67-Q70 PolarHBondContact O-NE2 3.31Å; D67-A83 HydrophobicContact CB-CB 4.49Å; D67-A83 VanDerWaalsContact OD2-CA 3.27Å; D67-A83 WeakPolarHBondContact OD2-CA 3.24Å; D67-I84 PolarHBondContact N-O 3.44Å; D67-I84 PolarHBondContact OD2-N 3.16Å
68I96.8Very high87.3Confident102 Ų10282.5 Ų82.552%0.52342%0.422SS..THydrogen-bonded Turntrans-85.9-60.4-179.3-62.2-177.5000111.6C66 L85 C89 V93C66-I68 PolarHBondContact O-N 2.85Å; I68-L85 HydrophobicContact CD1-CD2 3.62Å; I68-L85 HydrophobicContact CG1-CD2 3.8Å; I68-C89 HydrophobicContact CB-CB 4.15Å; I68-C89 HydrophobicContact CD1-CB 4.13Å; I68-C89 HydrophobicContact CG2-CB 4.44Å; I68-V93 HydrophobicContact CD1-CG2 3.57Å
69C97.4Very high89.3Confident37 Ų3780.6 Ų80.625%0.2541%0.411CS..THydrogen-bonded Turntrans-89.6-18.8-175.170.60000114.2C66 E71C66-C69 VanDerWaalsContact CB-SG 3.55Å; C69-E71 WeakPolarHBondContact O-CG 3.45Å; C69-E71 PolarHBondContact O-N 2.71Å
70Q96Very high91.1Very high110 Ų11074.9 Ų74.951%0.51438%0.384SS..SBendtrans54.46.5-177.7-59.6-68.6-22.200115.8L65 C66 D67L65-Q70 WeakPolarHBondContact CD1-O 3.4Å; C66-Q70 WeakPolarHBondContact O-CA 3.29Å; C66-Q70 VanDerWaalsContact O-CD 3.27Å; C66-Q70 PolarHBondContact O-N 3.15Å; C66-Q70 PolarHBondContact O-NE2 2.77Å; D67-Q70 VanDerWaalsContact CA-NE2 3.32Å; D67-Q70 PolarHBondContact O-NE2 3.31Å
71E94.8Very high92.8Very high161 Ų16174.2 Ų74.275%0.75238%0.377SS*.SBendtrans-104.7-40.4-177.8-72.4169.8-171.900112C69C69-E71 WeakPolarHBondContact O-CG 3.45Å; C69-E71 PolarHBondContact O-N 2.71Å
72K93.8Very high94.1Very high97 Ų9780.3 Ų80.342%0.42239%0.39SS..SBendtrans-97.9154-174.7-63.2176-175.1173.20110.7L65 C66 G74 C86 D88L65-K72 CarbonylContact C-O 3.46Å; L65-K72 WeakPolarHBondContact CA-O 3.46Å; C66-K72 PolarHBondContact N-O 2.97Å; K72-G74 PolarHBondContact O-N 3.23Å; K72-C86 HydrophobicContact CB-CB 3.75Å; K72-D88 WeakPolarHBondContact CD-OD2 3.38Å; K72-D88 WeakPolarHBondContact CE-OD2 3.43Å; K72-D88 IonicContact NZ-OD2 2.61Å; K72-D88 PolarHBondContact NZ-OD2 3.27Å
73R92.3Very high95Very high163 Ų16375.9 Ų75.962%0.61536%0.362SS*.BIsolated β-bridgetrans-65.5132.9175.2-67.8-179.3176.7-140.2-9.8110.8P63 C86P63-R73 VanDerWaalsContact CG-CZ 3.44Å; R73-C86 WeakPolarHBondContact O-CB 3.3Å
74G94Very high95.8Very high5 Ų575.5 Ų75.55%0.05236%0.357CS..PPolyproline II helixtrans-74.8125.5171.700000111.3P64 K72 I84P64-G74 PolarHBondContact O-N 2.85Å; K72-G74 PolarHBondContact O-N 3.23Å; G74-I84 VanDerWaalsContact CA-CG2 3.47Å
75L93.8Very high96.1Very high68 Ų6873.3 Ų73.336%0.35634%0.343SS..  trans-118.3-20-179.5-62.7-179.1000112.6L85 P87 L108L75-L85 PolarHBondContact N-O 3.07Å; L75-P87 HydrophobicContact CD1-CG 3.9Å; L75-L108 PolarHBondContact O-N 3.5Å
76L96.4Very high96.2Very high33 Ų3369.8 Ų69.817%0.17332%0.324CS..EExtended strand (participates in β ladder)trans-121.8134.7-174.6-61.9173.4000109.1I84 L85 D90 F106 L107L76-I84 CarbonylContact O-C 3.53Å; L76-I84 VanDerWaalsContact O-CA 3.25Å; L76-I84 WeakPolarHBondContact O-CA 3.4Å; L76-L85 PolarHBondContact N-O 3.14Å; L76-L85 VanDerWaalsContact N-O 3.09Å; L76-L85 PolarHBondContact O-N 2.83Å; L76-D90 HydrophobicContact CD1-CB 3.68Å; L76-D90 WeakPolarHBondContact CD1-OD1 3.4Å; L76-D90 WeakPolarHBondContact CD1-OD2 3.45Å; L76-F106 CarbonylContact C-O 3.59Å; L76-F106 WeakPolarHBondContact CA-O 3.18Å; L76-L107 HydrophobicContact CD2-CB 4.44Å
77F97.1Very high96.1Very high67 Ų6772.7 Ų72.729%0.29434%0.343SS..EExtended strand (participates in β ladder)trans-107.5117.6170.5172.9-105.4000108.8K79 A83 I84 R105 F106 L108F77-K79 HydrophobicContact CE1-CB 4.33Å; F77-A83 CarbonylContact C-O 3.59Å; F77-A83 WeakPolarHBondContact CA-O 3.27Å; F77-I84 HydrophobicContact CD2-CG1 4.13Å; F77-R105 CarbonylContact O-C 3.58Å; F77-R105 WeakPolarHBondContact O-CA 3.07Å; F77-F106 HydrophobicContact CB-CB 4.47Å; F77-F106 HydrophobicContact CD1-CD2 4.07Å; F77-F106 PolarHBondContact N-O 3.04Å; F77-F106 PolarHBondContact O-N 2.82Å; F77-L108 HydrophobicContact CB-CD1 4.35Å; F77-L108 HydrophobicContact CB-CD2 4.08Å; F77-L108 HydrophobicContact CB-CG 4.17Å
78C97.5Very high96.2Very high1 Ų173.7 Ų73.71%0.00735%0.349CS..EExtended strand (participates in β ladder)trans-85.3122.8170.1178.90000109.1D81 R82 A83 H103C78-D81 HydrophobicContact CB-CB 4.07Å; C78-D81 VanDerWaalsContact SG-CG 3.58Å; C78-D81 PolarHBondContact SG-N 2.76Å; C78-D81 VanDerWaalsContact SG-N 3.39Å; C78-D81 PolarHBondContact SG-OD2 2.84Å; C78-R82 VanDerWaalsContact O-CA 3.24Å; C78-R82 WeakPolarHBondContact O-CA 3.34Å; C78-R82 PolarHBondContact O-N 3.32Å; C78-A83 PolarHBondContact N-O 3.46Å; C78-A83 PolarHBondContact O-N 2.88Å; C78-H103 PolarHBondContact SG-ND1 3.08Å
79K97.3Very high96.2Very high121 Ų12169.7 Ų69.753%0.52633%0.33SS..THydrogen-bonded Turntrans-70.7-41.8-177.7178.1-173.3174.5-167.60112.3F77 T104 F106F77-K79 HydrophobicContact CE1-CB 4.33Å; K79-T104 WeakPolarHBondContact CB-O 3.25Å; K79-T104 PolarHBondContact N-O 3.47Å; K79-F106 HydrophobicContact CB-CD2 4.48Å; K79-F106 HydrophobicContact CB-CE2 3.95Å; K79-F106 HydrophobicContact CD-CE2 4.26Å
80E97.5Very high96.2Very high82 Ų8268.3 Ų68.338%0.38332%0.319SS..THydrogen-bonded Turntrans-71.9-44.9-176.2-68.272.3-16400110.5R82 H103 T104E80-R82 VanDerWaalsContact C-N 3.3Å; E80-R82 PolarHBondContact O-N 3.31Å; E80-H103 HydrophobicContact CB-CB 4.29Å; E80-H103 HydrophobicContact CG-CB 4.35Å; E80-H103 VanDerWaalsContact OE2-CA 3.26Å; E80-H103 WeakPolarHBondContact OE2-CA 3.36Å; E80-H103 VanDerWaalsContact OE2-CB 3.3Å; E80-H103 WeakPolarHBondContact OE2-CB 3.39Å; E80-H103 IonicContact OE2-CG 3.71Å; E80-T104 VanDerWaalsContact CD-N 3.27Å; E80-T104 PolarHBondContact OE1-N 3.33Å; E80-T104 PolarHBondContact OE1-OG1 2.72Å; E80-T104 PolarHBondContact OE2-N 3.46Å
81D96.2Very high96.2Very high75 Ų7567.1 Ų67.140%0.40132%0.32SS..THydrogen-bonded Turntrans-80.2-11.9177.2-59.3-41.5000113.2C78 A83 H103C78-D81 HydrophobicContact CB-CB 4.07Å; C78-D81 VanDerWaalsContact SG-CG 3.58Å; C78-D81 PolarHBondContact SG-N 2.76Å; C78-D81 VanDerWaalsContact SG-N 3.39Å; C78-D81 PolarHBondContact SG-OD2 2.84Å; D81-A83 HydrophobicContact CB-CB 4.04Å; D81-A83 PolarHBondContact O-N 3.34Å; D81-H103 IonicContact OD1-CE1 2.67Å; D81-H103 PolarHBondContact OD1-CE1 2.82Å; D81-H103 VanDerWaalsContact OD1-CE1 3.22Å; D81-H103 IonicContact OD1-ND1 3.68Å; D81-H103 IonicContact OD2-CE1 3.39Å; D81-H103 PolarHBondContact OD2-CE1 2.71Å; D81-H103 IonicContact OD2-ND1 2.99Å; D81-H103 PolarHBondContact OD2-ND1 3.39Å
82R96.9Very high96.3Very high211 Ų21162.9 Ų62.980%0.79631%0.306SS*.THydrogen-bonded Turntrans50.935.4-172-58.7-178.5175.2178.4-0.7112.7C78 E80C78-R82 VanDerWaalsContact O-CA 3.24Å; C78-R82 WeakPolarHBondContact O-CA 3.34Å; C78-R82 PolarHBondContact O-N 3.32Å; E80-R82 VanDerWaalsContact C-N 3.3Å; E80-R82 PolarHBondContact O-N 3.31Å
83A97.1Very high96.5Very high15 Ų1560 Ų6012%0.12430%0.296CS..EExtended strand (participates in β ladder)trans-117.5143.3-172.100000111.8D67 F77 C78 D81 L85D67-A83 HydrophobicContact CB-CB 4.49Å; D67-A83 VanDerWaalsContact OD2-CA 3.27Å; D67-A83 WeakPolarHBondContact OD2-CA 3.24Å; F77-A83 CarbonylContact C-O 3.59Å; F77-A83 WeakPolarHBondContact CA-O 3.27Å; C78-A83 PolarHBondContact N-O 3.46Å; C78-A83 PolarHBondContact O-N 2.88Å; D81-A83 HydrophobicContact CB-CB 4.04Å; D81-A83 PolarHBondContact O-N 3.34Å; A83-L85 HydrophobicContact CB-CD2 4.08Å; A83-L85 HydrophobicContact CB-CG 4.45Å
84I96.8Very high96.7Very high38 Ų3852.6 Ų52.620%0.19527%0.269CS..EExtended strand (participates in β ladder)trans-95.8118.5170-61.6178.8000108.4P64 C66 D67 G74 L76 F77 L108P64-I84 HydrophobicContact CB-CD1 3.69Å; P64-I84 HydrophobicContact CB-CG2 4.23Å; P64-I84 HydrophobicContact CG-CD1 3.93Å; P64-I84 HydrophobicContact CG-CG2 4.21Å; C66-I84 CarbonylContact C-O 3.56Å; C66-I84 WeakPolarHBondContact CA-O 3.32Å; D67-I84 PolarHBondContact N-O 3.44Å; D67-I84 PolarHBondContact OD2-N 3.16Å; G74-I84 VanDerWaalsContact CA-CG2 3.47Å; L76-I84 CarbonylContact O-C 3.53Å; L76-I84 VanDerWaalsContact O-CA 3.25Å; L76-I84 WeakPolarHBondContact O-CA 3.4Å; F77-I84 HydrophobicContact CD2-CG1 4.13Å; I84-L108 HydrophobicContact CD1-CD1 4.01Å; I84-L108 HydrophobicContact CG1-CD1 4.05Å; I84-L108 HydrophobicContact CG2-CD1 3.81Å
85L97.3Very high96.8Very high2 Ų256.9 Ų56.91%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-115.3143.6-175.3-54.2180000111.2I68 L75 L76 A83 D90 V93I68-L85 HydrophobicContact CD1-CD2 3.62Å; I68-L85 HydrophobicContact CG1-CD2 3.8Å; L75-L85 PolarHBondContact N-O 3.07Å; L76-L85 PolarHBondContact N-O 3.14Å; L76-L85 VanDerWaalsContact N-O 3.09Å; L76-L85 PolarHBondContact O-N 2.83Å; A83-L85 HydrophobicContact CB-CD2 4.08Å; A83-L85 HydrophobicContact CB-CG 4.45Å; L85-D90 HydrophobicContact CB-CB 4.06Å; L85-D90 HydrophobicContact CD1-CB 4.34Å; L85-V93 HydrophobicContact CD1-CB 4.23Å; L85-V93 HydrophobicContact CD1-CG1 4.28Å; L85-V93 HydrophobicContact CD1-CG2 4.26Å
86C97Very high96.9Very high1 Ų157.4 Ų57.41%0.00731%0.308CS..  trans-77.1161.2160.8690000109.6C66 K72 R73 D88 C89 D90C66-C86 HydrophobicContact CB-CB 3.85Å; C66-C86 PolarHBondContact SG-N 3.18Å; C66-C86 VanDerWaalsContact SG-SG 3.62Å; K72-C86 HydrophobicContact CB-CB 3.75Å; R73-C86 WeakPolarHBondContact O-CB 3.3Å; C86-D88 PolarHBondContact O-N 3.45Å; C86-D88 VanDerWaalsContact O-N 3.15Å; C86-C89 PolarHBondContact O-N 2.68Å; C86-C89 VanDerWaalsContact O-N 3.14Å; C86-C89 PolarHBondContact SG-N 2.77Å; C86-D90 WeakPolarHBondContact O-CB 3.33Å; C86-D90 PolarHBondContact O-N 3.47Å
87P95.6Very high96.9Very high62 Ų6258.5 Ų58.540%0.40332%0.319SS..Hα-helixtrans-54.3-36179.9-27.336000113.8L75 D90 V91L75-P87 HydrophobicContact CD1-CG 3.9Å; P87-D90 PolarHBondContact O-N 2.98Å; P87-V91 PolarHBondContact O-N 3.17Å
88D97.7Very high96.8Very high97 Ų9762.3 Ų62.352%0.51934%0.337SS..Hα-helixtrans-72.6-31.4-177.1-54.6-46000113K72 C86 P92K72-D88 WeakPolarHBondContact CD-OD2 3.38Å; K72-D88 WeakPolarHBondContact CE-OD2 3.43Å; K72-D88 IonicContact NZ-OD2 2.61Å; K72-D88 PolarHBondContact NZ-OD2 3.27Å; C86-D88 PolarHBondContact O-N 3.45Å; C86-D88 VanDerWaalsContact O-N 3.15Å; D88-P92 WeakPolarHBondContact O-CD 3.39Å; D88-P92 WeakPolarHBondContact O-CG 3.26Å
89C97.7Very high96.7Very high18 Ų1868.4 Ų68.412%0.12237%0.369CS..Hα-helixtrans-88.1-26175.8-66.50000112.2I68 C86 P92 V93I68-C89 HydrophobicContact CB-CB 4.15Å; I68-C89 HydrophobicContact CD1-CB 4.13Å; I68-C89 HydrophobicContact CG2-CB 4.44Å; C86-C89 PolarHBondContact O-N 2.68Å; C86-C89 VanDerWaalsContact O-N 3.14Å; C86-C89 PolarHBondContact SG-N 2.77Å; C89-P92 WeakPolarHBondContact O-CD 3.37Å; C89-P92 WeakPolarHBondContact O-CG 3.37Å; C89-V93 VanDerWaalsContact O-CG2 3.26Å; C89-V93 WeakPolarHBondContact O-CG2 3.39Å; C89-V93 PolarHBondContact O-N 2.82Å
90D97.4Very high96.7Very high7 Ų763.1 Ų63.14%0.03735%0.348CS..Hα-helixtrans-62.9-48.5179.7175.976.2000112.6L76 L85 C86 P87 V93 H94 R105L76-D90 HydrophobicContact CD1-CB 3.68Å; L76-D90 WeakPolarHBondContact CD1-OD1 3.4Å; L76-D90 WeakPolarHBondContact CD1-OD2 3.45Å; L85-D90 HydrophobicContact CB-CB 4.06Å; L85-D90 HydrophobicContact CD1-CB 4.34Å; C86-D90 WeakPolarHBondContact O-CB 3.33Å; C86-D90 PolarHBondContact O-N 3.47Å; P87-D90 PolarHBondContact O-N 2.98Å; D90-V93 PolarHBondContact O-N 3.2Å; D90-H94 PolarHBondContact O-N 3.28Å; D90-H94 PolarHBondContact O-ND1 2.86Å; D90-H94 IonicContact OD1-CE1 2.97Å; D90-H94 PolarHBondContact OD1-CE1 2.86Å; D90-H94 IonicContact OD1-CG 3.99Å; D90-H94 IonicContact OD1-ND1 3.48Å; D90-H94 PolarHBondContact OD1-ND1 3.26Å; D90-R105 WeakPolarHBondContact OD1-CD 3.37Å; D90-R105 IonicContact OD1-NH1 3.59Å; D90-R105 IonicContact OD2-CZ 3.54Å; D90-R105 IonicContact OD2-NH1 3.22Å; D90-R105 PolarHBondContact OD2-NH1 3.21Å
91V96.6Very high96.6Very high86 Ų8665.2 Ų65.252%0.52136%0.359SS..Hα-helixtrans-55.8-58-178.9175.30000112P87 V93 H94 T95P87-V91 PolarHBondContact O-N 3.17Å; V91-V93 VanDerWaalsContact C-N 3.28Å; V91-V93 PolarHBondContact O-N 3.06Å; V91-H94 PolarHBondContact O-N 2.99Å; V91-T95 HydrophobicContact CG1-CG2 4.19Å; V91-T95 WeakPolarHBondContact O-CG2 3.48Å; V91-T95 PolarHBondContact O-N 2.96Å; V91-T95 PolarHBondContact O-OG1 3.34Å
92P97.3Very high96.7Very high71 Ų7170.9 Ų70.946%0.46138%0.375SS..Hα-helixtrans-62.6-32.6-177.323.7-34000113.2D88 C89 A96D88-P92 WeakPolarHBondContact O-CD 3.39Å; D88-P92 WeakPolarHBondContact O-CG 3.26Å; C89-P92 WeakPolarHBondContact O-CD 3.37Å; C89-P92 WeakPolarHBondContact O-CG 3.37Å; P92-A96 WeakPolarHBondContact O-CB 3.26Å; P92-A96 PolarHBondContact O-N 3.33Å
93V96.5Very high96.7Very high37 Ų3762.3 Ų62.322%0.22434%0.344CS..Hα-helixtrans-64.8-50.6174.9171.20000110.4I68 L85 C89 D90 V91 T95 A96 A100I68-V93 HydrophobicContact CD1-CG2 3.57Å; L85-V93 HydrophobicContact CD1-CB 4.23Å; L85-V93 HydrophobicContact CD1-CG1 4.28Å; L85-V93 HydrophobicContact CD1-CG2 4.26Å; C89-V93 VanDerWaalsContact O-CG2 3.26Å; C89-V93 WeakPolarHBondContact O-CG2 3.39Å; C89-V93 PolarHBondContact O-N 2.82Å; D90-V93 PolarHBondContact O-N 3.2Å; V91-V93 VanDerWaalsContact C-N 3.28Å; V91-V93 PolarHBondContact O-N 3.06Å; V93-T95 VanDerWaalsContact C-N 3.32Å; V93-T95 PolarHBondContact O-N 3.46Å; V93-A96 PolarHBondContact O-N 2.95Å; V93-A100 WeakPolarHBondContact O-CB 3.38Å
94H97.2Very high96.7Very high8 Ų864.4 Ų64.44%0.03736%0.356CS..Hα-helixtrans-83.4-4.3-173.5-65.587.7000113.9D90 V91 A100 M101 R105D90-H94 PolarHBondContact O-N 3.28Å; D90-H94 PolarHBondContact O-ND1 2.86Å; D90-H94 IonicContact OD1-CE1 2.97Å; D90-H94 PolarHBondContact OD1-CE1 2.86Å; D90-H94 IonicContact OD1-CG 3.99Å; D90-H94 IonicContact OD1-ND1 3.48Å; D90-H94 PolarHBondContact OD1-ND1 3.26Å; V91-H94 PolarHBondContact O-N 2.99Å; H94-A100 PolarHBondContact CD2-O 2.84Å; H94-A100 VanDerWaalsContact CD2-O 3.23Å; H94-M101 VanDerWaalsContact O-CA 3.26Å; H94-M101 WeakPolarHBondContact O-CA 3.38Å; H94-M101 WeakPolarHBondContact O-CG 3.14Å; H94-M101 PolarHBondContact O-N 2.78Å; H94-R105 WeakPolarHBondContact NE2-CD 3.34Å; H94-R105 VanDerWaalsContact NE2-CG 3.34Å; H94-R105 WeakPolarHBondContact NE2-CG 3.4Å
95T96.3Very high96.7Very high94 Ų9468.4 Ų68.458%0.57737%0.368SS*.Hα-helixtrans-105.8-5.1170.163.80000113.4V91 V93 S97V91-T95 HydrophobicContact CG1-CG2 4.19Å; V91-T95 WeakPolarHBondContact O-CG2 3.48Å; V91-T95 PolarHBondContact O-N 2.96Å; V91-T95 PolarHBondContact O-OG1 3.34Å; V93-T95 VanDerWaalsContact C-N 3.32Å; V93-T95 PolarHBondContact O-N 3.46Å; T95-S97 VanDerWaalsContact C-N 3.3Å; T95-S97 PolarHBondContact O-N 2.82Å
96A95.7Very high96.7Very high80 Ų8073.2 Ų73.266%0.66139%0.389SS*.SBendtrans-67.1-27.9-176.400000113.7P92 V93P92-A96 WeakPolarHBondContact O-CB 3.26Å; P92-A96 PolarHBondContact O-N 3.33Å; V93-A96 PolarHBondContact O-N 2.95Å
97S95.3Very high96.5Very high55 Ų5578.1 Ų78.139%0.38542%0.415SS..  trans-157.3159.8178.967.80000112.1T95 L99 A100 M101T95-S97 VanDerWaalsContact C-N 3.3Å; T95-S97 PolarHBondContact O-N 2.82Å; S97-L99 PolarHBondContact O-N 2.71Å; S97-A100 PolarHBondContact O-N 3.09Å; S97-A100 PolarHBondContact OG-N 2.8Å; S97-A100 VanDerWaalsContact OG-N 3.15Å; S97-M101 WeakPolarHBondContact O-CG 3.39Å; S97-M101 PolarHBondContact O-N 3.47Å
98E96.3Very high96.3Very high147 Ų14777.9 Ų77.969%0.68741%0.41SS*.Hα-helixtrans-59-29.9173-66.9-168.4178.200112.9R102E98-R102 WeakPolarHBondContact O-CG 3.21Å
99L95.9Very high95.5Very high130 Ų13076.6 Ų76.668%0.68141%0.405SS*.Hα-helixtrans-68.1-48.9177.1-172.168.5000110.4S97 M101 R102 H103S97-L99 PolarHBondContact O-N 2.71Å; L99-M101 VanDerWaalsContact C-N 3.34Å; L99-M101 PolarHBondContact O-N 3.01Å; L99-R102 PolarHBondContact O-N 2.77Å; L99-R102 VanDerWaalsContact O-N 3.12Å; L99-H103 PolarHBondContact O-CD2 3.47Å
100A96.2Very high94.7Very high10 Ų1078 Ų788%0.08342%0.424CS..Hα-helixtrans-66.2-35178.900000112.3V93 H94 S97 R102 H103V93-A100 WeakPolarHBondContact O-CB 3.38Å; H94-A100 PolarHBondContact CD2-O 2.84Å; H94-A100 VanDerWaalsContact CD2-O 3.23Å; S97-A100 PolarHBondContact O-N 3.09Å; S97-A100 PolarHBondContact OG-N 2.8Å; S97-A100 VanDerWaalsContact OG-N 3.15Å; A100-R102 PolarHBondContact O-N 2.84Å; A100-R102 VanDerWaalsContact O-N 3.12Å; A100-H103 WeakPolarHBondContact O-CB 3.19Å; A100-H103 PolarHBondContact O-N 3.22Å
101M96.5Very high93.9Very high125 Ų12579.5 Ų79.562%0.61643%0.433SS*.Hα-helixtrans-57.9-26173.6-78.1-176.569.300113.4H94 S97 L99H94-M101 VanDerWaalsContact O-CA 3.26Å; H94-M101 WeakPolarHBondContact O-CA 3.38Å; H94-M101 WeakPolarHBondContact O-CG 3.14Å; H94-M101 PolarHBondContact O-N 2.78Å; S97-M101 WeakPolarHBondContact O-CG 3.39Å; S97-M101 PolarHBondContact O-N 3.47Å; L99-M101 VanDerWaalsContact C-N 3.34Å; L99-M101 PolarHBondContact O-N 3.01Å
102R97.2Very high93.3Very high194 Ų19480.8 Ų80.873%0.73243%0.428SS*.THydrogen-bonded Turntrans-91.71.9-179.6-67.1175.9179.5179.64.7113.2E98 L99 A100E98-R102 WeakPolarHBondContact O-CG 3.21Å; L99-R102 PolarHBondContact O-N 2.77Å; L99-R102 VanDerWaalsContact O-N 3.12Å; A100-R102 PolarHBondContact O-N 2.84Å; A100-R102 VanDerWaalsContact O-N 3.12Å
103H97.7Very high92.8Very high32 Ų3281.2 Ų81.215%0.14843%0.426CS..  trans-65.1139.2176.1-68.3-175.5000111.1C78 E80 D81 L99 A100 R105C78-H103 PolarHBondContact SG-ND1 3.08Å; E80-H103 HydrophobicContact CB-CB 4.29Å; E80-H103 HydrophobicContact CG-CB 4.35Å; E80-H103 VanDerWaalsContact OE2-CA 3.26Å; E80-H103 WeakPolarHBondContact OE2-CA 3.36Å; E80-H103 VanDerWaalsContact OE2-CB 3.3Å; E80-H103 WeakPolarHBondContact OE2-CB 3.39Å; E80-H103 IonicContact OE2-CG 3.71Å; D81-H103 IonicContact OD1-CE1 2.67Å; D81-H103 PolarHBondContact OD1-CE1 2.82Å; D81-H103 VanDerWaalsContact OD1-CE1 3.22Å; D81-H103 IonicContact OD1-ND1 3.68Å; D81-H103 IonicContact OD2-CE1 3.39Å; D81-H103 PolarHBondContact OD2-CE1 2.71Å; D81-H103 IonicContact OD2-ND1 2.99Å; D81-H103 PolarHBondContact OD2-ND1 3.39Å; L99-H103 PolarHBondContact O-CD2 3.47Å; A100-H103 WeakPolarHBondContact O-CB 3.19Å; A100-H103 PolarHBondContact O-N 3.22Å; H103-R105 PolarHBondContact O-N 3.25Å
104T97.5Very high92.2Very high59 Ų5980.5 Ų80.536%0.36242%0.423SS..  trans-78.9109.7176.2-43.90000109K79 E80 F106K79-T104 WeakPolarHBondContact CB-O 3.25Å; K79-T104 PolarHBondContact N-O 3.47Å; E80-T104 VanDerWaalsContact CD-N 3.27Å; E80-T104 PolarHBondContact OE1-N 3.33Å; E80-T104 PolarHBondContact OE1-OG1 2.72Å; E80-T104 PolarHBondContact OE2-N 3.46Å; T104-F106 HydrophobicContact CG2-CD2 4.32Å; T104-F106 HydrophobicContact CG2-CE1 4.39Å; T104-F106 HydrophobicContact CG2-CE2 3.41Å; T104-F106 VanDerWaalsContact CG2-CE2 3.41Å; T104-F106 HydrophobicContact CG2-CZ 3.47Å; T104-F106 VanDerWaalsContact CG2-CZ 3.47Å
105R96.4Very high91.3Very high122 Ų12284 Ų8446%0.4646%0.462SS..EExtended strand (participates in β ladder)trans-100.8137.7177.1-64.5177.8-72.6170.10.2111.2F77 D90 H94 H103F77-R105 CarbonylContact O-C 3.58Å; F77-R105 WeakPolarHBondContact O-CA 3.07Å; D90-R105 WeakPolarHBondContact OD1-CD 3.37Å; D90-R105 IonicContact OD1-NH1 3.59Å; D90-R105 IonicContact OD2-CZ 3.54Å; D90-R105 IonicContact OD2-NH1 3.22Å; D90-R105 PolarHBondContact OD2-NH1 3.21Å; H94-R105 WeakPolarHBondContact NE2-CD 3.34Å; H94-R105 VanDerWaalsContact NE2-CG 3.34Å; H94-R105 WeakPolarHBondContact NE2-CG 3.4Å; H103-R105 PolarHBondContact O-N 3.25Å
106F96.1Very high90.5Very high102 Ų10283.4 Ų83.445%0.44746%0.461SS..EExtended strand (participates in β ladder)trans-119.7136.1177.3-62.6-91.6000110.3L76 F77 K79 T104L76-F106 CarbonylContact C-O 3.59Å; L76-F106 WeakPolarHBondContact CA-O 3.18Å; F77-F106 HydrophobicContact CB-CB 4.47Å; F77-F106 HydrophobicContact CD1-CD2 4.07Å; F77-F106 PolarHBondContact N-O 3.04Å; F77-F106 PolarHBondContact O-N 2.82Å; K79-F106 HydrophobicContact CB-CD2 4.48Å; K79-F106 HydrophobicContact CB-CE2 3.95Å; K79-F106 HydrophobicContact CD-CE2 4.26Å; T104-F106 HydrophobicContact CG2-CD2 4.32Å; T104-F106 HydrophobicContact CG2-CE1 4.39Å; T104-F106 HydrophobicContact CG2-CE2 3.41Å; T104-F106 VanDerWaalsContact CG2-CE2 3.41Å; T104-F106 HydrophobicContact CG2-CZ 3.47Å; T104-F106 VanDerWaalsContact CG2-CZ 3.47Å
107L94.5Very high89.7Confident105 Ų10583.5 Ų83.555%0.5546%0.455SS..EExtended strand (participates in β ladder)trans-79.5123.5173.4-176.7130.5000110.5M1 L76 T109M1-L107 HydrophobicContact CE-CD2 3.87Å; M1-L107 HydrophobicContact CE-CG 4.39Å; M1-L107 HydrophobicContact SD-CD2 4.08Å; L76-L107 HydrophobicContact CD2-CB 4.44Å; L107-T109 HydrophobicContact CD2-CG2 4.03Å; L107-T109 PolarHBondContact O-N 3.32Å
108L89.8Confident88.8Confident57 Ų5783.9 Ų83.930%0.29845%0.45SS..  trans-80.9101.8173.4-64.1176.8000109.2P64 L75 F77 I84 G110P64-L108 HydrophobicContact CG-CD1 4.19Å; L75-L108 PolarHBondContact O-N 3.5Å; F77-L108 HydrophobicContact CB-CD1 4.35Å; F77-L108 HydrophobicContact CB-CD2 4.08Å; F77-L108 HydrophobicContact CB-CG 4.17Å; I84-L108 HydrophobicContact CD1-CD1 4.01Å; I84-L108 HydrophobicContact CG1-CD1 4.05Å; I84-L108 HydrophobicContact CG2-CD1 3.81Å; L108-G110 PolarHBondContact O-N 2.89Å
109T81.4Confident87.5Confident69 Ų6981.3 Ų81.342%0.42345%0.449SS..  trans-64.1-22.2-178.262.80000113.4L107 V111L107-T109 HydrophobicContact CD2-CG2 4.03Å; L107-T109 PolarHBondContact O-N 3.32Å; T109-V111 PolarHBondContact O-N 3.48Å; T109-V111 WeakPolarHBondContact OG1-CG2 2.9Å; T109-V111 PolarHBondContact OG1-N 3.14Å
110G80.5Confident86Confident49 Ų4979 Ų7951%0.50544%0.442SS..  trans70.78.1-173.600000113.7L108L108-G110 PolarHBondContact O-N 2.89Å
111V80.8Confident84.1Confident38 Ų3880.7 Ų80.723%0.2345%0.452CS..  trans-74.5131.8178.6-179.40000108.8V3 L47 T109V3-V111 HydrophobicContact CG2-CG1 4.47Å; V3-V111 HydrophobicContact CG2-CG2 3.43Å; V3-V111 VanDerWaalsContact CG2-CG2 3.43Å; L47-V111 HydrophobicContact CB-CG1 4.47Å; L47-V111 HydrophobicContact CD2-CG1 3.82Å; T109-V111 PolarHBondContact O-N 3.48Å; T109-V111 WeakPolarHBondContact OG1-CG2 2.9Å; T109-V111 PolarHBondContact OG1-N 3.14Å
112R84.4Confident82.2Confident112 Ų11285.9 Ų85.942%0.42347%0.465SS..EExtended strand (participates in β ladder)trans-107.7145.3176.5-60.5-59.4-170.5-177.21.9109.7L48L48-R112 HydrophobicContact CB-CB 4.11Å; L48-R112 HydrophobicContact CD1-CB 3.97Å; L48-R112 PolarHBondContact N-O 3.15Å
113L86.8Confident80.3Confident81 Ų8181 Ų8142%0.42447%0.465SS..EExtended strand (participates in β ladder)trans-113.5140.2178.3-59178.9000109.4F16 L45 S46 L47 G115F16-L113 HydrophobicContact CB-CD2 4.28Å; L45-L113 HydrophobicContact CB-CB 4.32Å; L45-L113 HydrophobicContact CB-CD2 4.32Å; L45-L113 HydrophobicContact CD1-CB 4.36Å; L45-L113 HydrophobicContact CD1-CD1 3.76Å; S46-L113 CarbonylContact O-C 3.54Å; S46-L113 VanDerWaalsContact O-CA 3.32Å; S46-L113 WeakPolarHBondContact O-CA 3.47Å; L47-L113 HydrophobicContact CD2-CD2 3.12Å; L47-L113 HydrophobicContact CG-CD2 4.47Å; L113-G115 PolarHBondContact O-N 3.35Å
114S84.7Confident78.4Confident21 Ų2190.7 Ų90.715%0.14750%0.501CS..EExtended strand (participates in β ladder)trans-67.4131.617062.90000109.4S46 L48 S116S46-S114 WeakPolarHBondContact CB-OG 3.26Å; S46-S114 PolarHBondContact N-OG 2.91Å; S46-S114 PolarHBondContact O-N 3.16Å; S46-S114 PolarHBondContact OG-OG 3Å; L48-S114 VanDerWaalsContact CD1-N 3.29Å; S114-S116 PolarHBondContact O-N 2.98Å; S114-S116 PolarHBondContact OG-O 3.44Å; S114-S116 VanDerWaalsContact OG-O 3.07Å
115G78.4Confident76.3Confident83 Ų8399.2 Ų99.286%0.85653%0.526SS*.EExtended strand (participates in β ladder)trans-65.1-24.5177.400000113.8L113L113-G115 PolarHBondContact O-N 3.35Å
116S79.1Confident74.5Confident80 Ų80104.7 Ų104.756%0.55955%0.547SS*.EExtended strand (participates in β ladder)trans-87.5133.7174.558.50000111.3S114S114-S116 PolarHBondContact O-N 2.98Å; S114-S116 PolarHBondContact OG-O 3.44Å; S114-S116 VanDerWaalsContact OG-O 3.07Å
117P79Confident72.6Confident83 Ų83111.1 Ų111.154%0.53957%0.568SS.*EExtended strand (participates in β ladder)trans-63.9141.2173.327-33.1000110.9R43 R44 S119R43-P117 HydrophobicContact CG-CB 4.31Å; R44-P117 CarbonylContact O-C 3.56Å; R44-P117 VanDerWaalsContact O-CA 3.22Å; R44-P117 WeakPolarHBondContact O-CA 3.42Å; P117-S119 PolarHBondContact O-N 2.67Å
118Q75Confident70.8Confident62 Ų62117.1 Ų117.129%0.2958%0.583SS.*PPolyproline II helixtrans-66.6122.4172.5-79.3-158.748.200110.3R44 S46R44-Q118 HydrophobicContact CB-CB 4.27Å; R44-Q118 PolarHBondContact NH2-O 3.12Å; R44-Q118 PolarHBondContact O-N 3.23Å; S46-Q118 WeakPolarHBondContact OG-CG 3.36Å; S46-Q118 PolarHBondContact OG-NE2 3.05Å
119S69.2Low69.4Low93 Ų93126 Ų12665%0.6561%0.613SS**PPolyproline II helixtrans-54.9143.4175630000110.9R44 P117R44-S119 PolarHBondContact NH2-O 3.03Å; P117-S119 PolarHBondContact O-N 2.67Å
120P65Low68.2Low83 Ų83128 Ų12854%0.53963%0.626SS.*PPolyproline II helixtrans-52.4139172.222.3-32.2000109.6R44 R122R44-P120 VanDerWaalsContact NH2-CA 3.33Å; P120-R122 PolarHBondContact O-N 2.96Å
121P56.9Low67.3Low45 Ų45136.5 Ų136.529%0.29264%0.642SS.*  trans-57.2114.417923.7-32.8000108.2A123P121-A123 PolarHBondContact O-N 3.45Å
122R55.8Low66.3Low234 Ų234140.9 Ų140.988%0.88367%0.669SS**  trans-47.3116.6-178.2-81.1178.9164.4-123.1-0.5109.1P120 R124P120-R122 PolarHBondContact O-N 2.96Å; R122-R124 PolarHBondContact O-N 3.2Å
123A56.7Low65.2Low90 Ų90141 Ų14174%0.74468%0.683SS**  trans-59.8108.8171.400000106.9P121 R125P121-A123 PolarHBondContact O-N 3.45Å; A123-R125 VanDerWaalsContact C-N 3.34Å; A123-R125 PolarHBondContact O-N 3.15Å
124R58.4Low63.9Low237 Ų237141.9 Ų141.989%0.89470%0.702SS**  trans-58.1105.1168.5-75.4179.6171-100.71.5105.5R122 R126R122-R124 PolarHBondContact O-N 3.2Å; R124-R126 VanDerWaalsContact C-N 3.26Å; R124-R126 PolarHBondContact O-N 3.12Å
125R53.1Low62.6Low238 Ų238145.7 Ų145.790%0.89874%0.735SS**  trans-56.697.7168.8-81.4-179.7172.1-101.42.9106A123 R127A123-R125 VanDerWaalsContact C-N 3.34Å; A123-R125 PolarHBondContact O-N 3.15Å; R125-R127 PolarHBondContact O-N 3.24Å
126R58.8Low61.8Low237 Ų237146.5 Ų146.589%0.89473%0.733SS**  trans-59.8107.8163.6-82.2-177.9170.8-101.42.3104.5R124 R128R124-R126 VanDerWaalsContact C-N 3.26Å; R124-R126 PolarHBondContact O-N 3.12Å; R126-R128 VanDerWaalsContact C-N 3.33Å; R126-R128 PolarHBondContact O-N 2.61Å
127R55.8Low60.8Low237 Ų237147.3 Ų147.389%0.89474%0.744SS**  trans-56104.3166.7-76.1-178.5172.7-105.93.4105.7R125 R129R125-R127 PolarHBondContact O-N 3.24Å; R127-R129 PolarHBondContact O-N 3.47Å
128R57.5Low60.2Low230 Ų230148 Ų14887%0.86876%0.758SS**  trans-62.2103168.4-120.9178167-122.5-0.1105R126 T130R126-R128 VanDerWaalsContact C-N 3.33Å; R126-R128 PolarHBondContact O-N 2.61Å; R128-T130 VanDerWaalsContact C-N 3.32Å; R128-T130 PolarHBondContact O-N 3.27Å
129R59.6Low59.9Low243 Ų243150 Ų15092%0.91778%0.779SS**  trans-67.399.7162.6-81.5-175161.2-142.1-3.2105.6R127 R131R127-R129 PolarHBondContact O-N 3.47Å; R129-R131 PolarHBondContact O-N 3.25Å; R129-R131 VanDerWaalsContact O-N 3.1Å
130T57.4Low59.8Low113 Ų113151.7 Ų151.769%0.69379%0.787SS**  trans-63.8105.6165.540.60000106.9R128 T132R128-T130 VanDerWaalsContact C-N 3.32Å; R128-T130 PolarHBondContact O-N 3.27Å; T130-T132 PolarHBondContact O-N 3.02Å
131R60.8Low60Low226 Ų226153 Ų15385%0.85380%0.798SS**  trans-81.794.9171.3-161.9175.1132.7176-2.5106.1R129 T133R129-R131 PolarHBondContact O-N 3.25Å; R129-R131 VanDerWaalsContact O-N 3.1Å; R131-T133 PolarHBondContact O-N 2.93Å; R131-T133 VanDerWaalsContact O-N 3.16Å
132T60.9Low60.2Low130 Ų130161.2 Ų161.280%0.79885%0.848SS**  trans-66.8106.1173.1-43.10000107.7T130 A134T130-T132 PolarHBondContact O-N 3.02Å; T132-A134 PolarHBondContact O-N 3.41Å
133T60.7Low60.4Low115 Ų115157.6 Ų157.671%0.70685%0.846SS**  trans-82.6106.916745.30000107.6R131 A135R131-T133 PolarHBondContact O-N 2.93Å; R131-T133 VanDerWaalsContact O-N 3.16Å; T133-A135 PolarHBondContact O-N 3.19Å
134A58.5Low60.6Low99 Ų99161.1 Ų161.182%0.81885%0.851SS**  trans-70112.3165.400000108T132 A136T132-A134 PolarHBondContact O-N 3.41Å; A134-A136 PolarHBondContact O-N 3.38Å
135A58.7Low60.7Low102 Ų102156.9 Ų156.984%0.84385%0.849SS**  trans-77109.316800000107.8T133 A137T133-A135 PolarHBondContact O-N 3.19Å; A135-A137 PolarHBondContact O-N 3.4Å
136A60.3Low61.1Low100 Ų100152.1 Ų152.183%0.82685%0.846SS**  trans-77106.8165.600000107.7A134 A138A134-A136 PolarHBondContact O-N 3.38Å; A136-A138 PolarHBondContact O-N 3.39Å
137A58.9Low61.3Low96 Ų96146.8 Ų146.879%0.79384%0.843SS**  trans-74.1111.5165.200000108A135A135-A137 PolarHBondContact O-N 3.4Å
138A65.3Low61.6Low99 Ų99140.8 Ų140.882%0.81884%0.839SS**  trans-100.7108.216200000107.1A136A136-A138 PolarHBondContact O-N 3.39Å
139S69.3Low61.9Low104 Ų104134.4 Ų134.473%0.72784%0.837SS**  trans-72.2144.2172.3-53.60000110.3
140P67.4Low62.1Low128 Ų128126.1 Ų126.183%0.83183%0.831SS**  trans-82.9138.6166.432-27.6000109.8
141S68.9Low62.5Low109 Ų109127.2 Ų127.276%0.76284%0.843SS**  trans-122126.1167.2-71.30000108.9
142T60.5Low62.7Low218 Ų218118.2 Ų118.2100%1.33784%0.842SS**  trans80.70162.3-29.50000117.5

Retrieved 142 of 142 residues in 94.6 ms (Link to these results)

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