A0A087WW36_HUMAN Loading...

Acid phosphatase 6, lysophosphatidic

AlphaFold DB , UniProt , Accession A0A087WW36, Species HUMAN (Homo sapiens, Human), Gene ACP6, Length 143 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
1M89.2Confident97.2Very high210 Ų21091.5 Ų91.5100%1.03446%0.457SS*.  0132.30-176.7176.27700108.1
2V96.3Very high97.2Very high64 Ų6483.8 Ų83.839%0.38842%0.419SS..  trans-120.2135.7175.5177.10000107.8V4 Y92 F98V2-V4 HydrophobicContact CG1-CG2 4.12Å; V2-Y92 HydrophobicContact CG1-CE1 4.21Å; V2-Y92 HydrophobicContact CG1-CE2 4.22Å; V2-Y92 HydrophobicContact CG2-CE1 3.89Å; V2-F98 HydrophobicContact CB-CE1 4.34Å; V2-F98 HydrophobicContact CG2-CD1 4.44Å; V2-F98 HydrophobicContact CG2-CE1 4.08Å; V2-F98 HydrophobicContact CG2-CZ 4.42Å
3Q97.5Very high97.1Very high162 Ų16278.8 Ų78.876%0.75740%0.396SS*.  trans-118.9126.1172.8-174.1177.24.500109V5Q3-V5 HydrophobicContact CG-CG2 4.34Å
4V97.6Very high97Very high68 Ų6876.9 Ų76.941%0.41239%0.387SS..  trans-112.7122.3177-173.30000108.4V2 F6 L88V2-V4 HydrophobicContact CG1-CG2 4.12Å; V4-F6 HydrophobicContact CG1-CD1 4.21Å; V4-L88 HydrophobicContact CG1-CD1 4.3Å; V4-L88 HydrophobicContact CG2-CD2 4.24Å
5V98.1Very high96.6Very high125 Ų12582.3 Ų82.376%0.75841%0.407SS*.  trans-116.6125.5173.2-175.50000107.7Q3Q3-V5 HydrophobicContact CG-CG2 4.34Å
6F98.4Very high96.3Very high65 Ų6582 Ų8229%0.28541%0.413SS..  trans-136.3155.4-177.858.7-90.9000110.7V4 M81 L84 T122 L125V4-F6 HydrophobicContact CG1-CD1 4.21Å; F6-M81 HydrophobicContact CD2-CE 3.26Å; F6-M81 HydrophobicContact CD2-SD 4.45Å; F6-M81 HydrophobicContact CE2-CE 3.45Å; F6-M81 VanDerWaalsContact CE2-CE 3.45Å; F6-M81 HydrophobicContact CG-CE 4.03Å; F6-M81 HydrophobicContact CZ-CE 4.35Å; F6-L84 HydrophobicContact CB-CD2 4.13Å; F6-L84 HydrophobicContact CG-CD2 4.49Å; F6-T122 HydrophobicContact CZ-CG2 4.41Å; F6-T122 WeakPolarHBondContact CZ-OG1 3.38Å; F6-L125 HydrophobicContact CD1-CD1 3.81Å; F6-L125 HydrophobicContact CD2-CD1 4.41Å; F6-L125 HydrophobicContact CE1-CD1 3.71Å; F6-L125 HydrophobicContact CE2-CD1 4.32Å; F6-L125 HydrophobicContact CG-CD1 4.17Å; F6-L125 HydrophobicContact CZ-CD1 3.98Å
7R98.4Very high95.9Very high179 Ų17981.2 Ų81.268%0.67541%0.41SS*.  trans-85.9155.8168.8-172.4178.5175.5-178.80.8109.6
8H98.4Very high95.5Very high30 Ų3084.2 Ų84.214%0.13944%0.436CS..  trans-51.6156.316766.671000113.2R11 N118 S121H8-R11 VanDerWaalsContact CE1-CD 3.47Å; H8-R11 WeakPolarHBondContact CE1-CD 3.12Å; H8-R11 PolarHBondContact CE1-NE 2.89Å; H8-R11 VanDerWaalsContact CE1-NE 3.26Å; H8-R11 PolarHBondContact NE2-NE 3.38Å; H8-N118 WeakPolarHBondContact CB-OD1 3.31Å; H8-N118 PolarHBondContact CD2-OD1 3.16Å; H8-S121 VanDerWaalsContact CA-OG 3.28Å; H8-S121 WeakPolarHBondContact CA-OG 3.33Å; H8-S121 WeakPolarHBondContact CB-OG 3.3Å
9G98.6Very high95.3Very high5 Ų584.6 Ų84.65%0.05244%0.438CS..  trans-70.9-179.1172.500000113.6R11 S121G9-R11 PolarHBondContact O-N 3.15Å; G9-S121 PolarHBondContact N-OG 2.93Å; G9-S121 VanDerWaalsContact N-OG 3.1Å
10A98.5Very high94.9Very high35 Ų3591.1 Ų91.129%0.28947%0.466SS..SBendtrans-54.4134176.900000112.9L73 T74 V76 G77A10-L73 WeakPolarHBondContact O-CD1 3.12Å; A10-T74 PolarHBondContact O-N 2.74Å; A10-T74 PolarHBondContact O-OG1 2.7Å; A10-V76 HydrophobicContact CB-CG1 4.31Å; A10-G77 WeakPolarHBondContact O-CA 3.46Å
11R97.8Very high94.7Very high63 Ų6394 Ų9424%0.23848%0.478CS..BIsolated β-bridgetrans-136.6165.3-173.761166.2178.469.5-1.7111.7H8 G9 Q72 R117H8-R11 VanDerWaalsContact CE1-CD 3.47Å; H8-R11 WeakPolarHBondContact CE1-CD 3.12Å; H8-R11 PolarHBondContact CE1-NE 2.89Å; H8-R11 VanDerWaalsContact CE1-NE 3.26Å; H8-R11 PolarHBondContact NE2-NE 3.38Å; G9-R11 PolarHBondContact O-N 3.15Å; R11-Q72 CarbonylContact C-O 3.54Å; R11-Q72 WeakPolarHBondContact CA-O 3.47Å; R11-Q72 WeakPolarHBondContact CB-O 3.38Å; R11-R117 VanDerWaalsContact CD-CD 3.41Å
12S97.1Very high94.9Very high0 Ų086.6 Ų86.60%044%0.441CS..  trans-65.4158.3167.468.70000111.9M68 F69 G71 Q72S12-M68 WeakPolarHBondContact CB-SD 3.39Å; S12-F69 PolarHBondContact OG-O 3.16Å; S12-G71 PolarHBondContact OG-N 3.48Å; S12-Q72 PolarHBondContact N-O 3.43Å; S12-Q72 PolarHBondContact OG-N 3.39Å
13P96.4Very high94.7Very high19 Ų1987.6 Ų87.612%0.12345%0.447CS..  trans-54.8153175-26.934.8000112.3K15 L17 W25 L64 A70 G71P13-K15 WeakPolarHBondContact CB-O 3.44Å; P13-L17 HydrophobicContact CB-CD2 4.45Å; P13-L17 HydrophobicContact CG-CD2 4.34Å; P13-L17 HydrophobicContact CG-CG 4.39Å; P13-W25 HydrophobicContact CG-CH2 4.14Å; P13-W25 HydrophobicContact CG-CZ2 3.46Å; P13-W25 VanDerWaalsContact CG-CZ2 3.46Å; P13-L64 HydrophobicContact CG-CD1 4.5Å; P13-A70 CarbonylContact O-C 3.5Å; P13-A70 VanDerWaalsContact O-CA 3.27Å; P13-A70 WeakPolarHBondContact O-CA 3.38Å; P13-A70 VanDerWaalsContact O-CB 3.3Å; P13-A70 WeakPolarHBondContact O-CB 3.03Å; P13-G71 PolarHBondContact O-N 3.05Å
14L95Very high94.6Very high52 Ų5285.9 Ų85.927%0.27244%0.439SS..SBendtrans-84.2-17.7173.2-59.4-176.7000112.4Y59L14-Y59 HydrophobicContact CB-CD1 4.4Å; L14-Y59 HydrophobicContact CB-CE1 4.2Å; L14-Y59 HydrophobicContact CD1-CE1 3.92Å; L14-Y59 HydrophobicContact CD2-CD1 3.92Å; L14-Y59 HydrophobicContact CD2-CE1 3.73Å; L14-Y59 HydrophobicContact CD2-CE2 4.38Å; L14-Y59 HydrophobicContact CD2-CG 4.34Å; L14-Y59 HydrophobicContact CG-CE1 4.14Å
15K92.1Very high94.5Very high158 Ų15885.1 Ų85.169%0.68743%0.429SS*.SBendtrans-147.1156.2-179.6-63.1-174.5179.5-176.30107.6P13P13-K15 WeakPolarHBondContact CB-O 3.44Å
16P90.8Very high94.4Very high77 Ų7782 Ų8250%0.541%0.408SS..  trans-51.7144.1169-24.935.3000110.9T62P16-T62 HydrophobicContact CG-CG2 4.49Å
17L89.4Confident94.2Very high69 Ų6981.7 Ų81.736%0.36141%0.412SS..  trans-73.8150.1178.7-62.9176.1000109P13 L19 Q22P13-L17 HydrophobicContact CB-CD2 4.45Å; P13-L17 HydrophobicContact CG-CD2 4.34Å; P13-L17 HydrophobicContact CG-CG 4.39Å; L17-L19 HydrophobicContact CB-CD1 3.91Å; L17-L19 HydrophobicContact CB-CG 3.92Å; L17-L19 HydrophobicContact CD1-CD1 3.99Å; L17-L19 PolarHBondContact O-N 3.46Å; L17-Q22 PolarHBondContact O-NE2 3.25Å
18P89.9Confident94.1Very high135 Ų13578.6 Ų78.688%0.87741%0.405SS*.SBendtrans-75.860.3176.533.9-36.4000110.6
19L91.2Very high94.1Very high91 Ų9180.9 Ų80.948%0.47642%0.418SS..  trans-118.6140.9179.6-61175.3000108.7L17 E21 Q22L17-L19 HydrophobicContact CB-CD1 3.91Å; L17-L19 HydrophobicContact CB-CG 3.92Å; L17-L19 HydrophobicContact CD1-CD1 3.99Å; L17-L19 PolarHBondContact O-N 3.46Å; L19-E21 VanDerWaalsContact C-N 3.3Å; L19-E21 WeakPolarHBondContact CB-O 3.38Å; L19-E21 PolarHBondContact O-N 3.09Å; L19-Q22 PolarHBondContact O-NE2 2.87Å
20E86.8Confident94Very high214 Ų21482.9 Ų82.9100%143%0.428SS*.SBendtrans-59.7-43.8174.7-67.5-177.1176.500110.9
21E91.2Very high94Very high153 Ų15385.9 Ų85.972%0.71544%0.436SS*.SBendtrans-107.3121.2174.1-169.5173.4-17400111.2L19L19-E21 VanDerWaalsContact C-N 3.3Å; L19-E21 WeakPolarHBondContact CB-O 3.38Å; L19-E21 PolarHBondContact O-N 3.09Å
22Q92.4Very high94Very high55 Ų5585.6 Ų85.626%0.25744%0.44SS..PPolyproline II helixtrans-78.7138.9177.7-63.1-63-56.400111.5L17 L19 K65L17-Q22 PolarHBondContact O-NE2 3.25Å; L19-Q22 PolarHBondContact O-NE2 2.87Å; Q22-K65 HydrophobicContact CB-CB 4.11Å; Q22-K65 HydrophobicContact CB-CD 3.95Å; Q22-K65 WeakPolarHBondContact O-CD 3.35Å; Q22-K65 PolarHBondContact O-NZ 3.45Å
23V92.9Very high94Very high84 Ų8485.8 Ų85.851%0.50944%0.442SS..PPolyproline II helixtrans-74.2146.1170.6-1780000110.1
24E94.8Very high94.1Very high126 Ų12689.6 Ų89.659%0.58947%0.466SS*.PPolyproline II helixtrans-79.9122.4175.1-63.6-170.3176.300112.3K65E24-K65 CarbonylContact C-O 3.52Å; E24-K65 WeakPolarHBondContact CA-O 3.46Å; E24-K65 HydrophobicContact CG-CD 3.85Å; E24-K65 HydrophobicContact CG-CG 4.04Å
25W95.8Very high94.1Very high53 Ų5391.3 Ų91.320%0.20147%0.473CS..  trans-101.890.6172.2-66.888.2000108.9P13 L29 L64 K65 G66 M68P13-W25 HydrophobicContact CG-CH2 4.14Å; P13-W25 HydrophobicContact CG-CZ2 3.46Å; P13-W25 VanDerWaalsContact CG-CZ2 3.46Å; W25-L29 HydrophobicContact CE3-CD1 4.33Å; W25-L64 HydrophobicContact CB-CB 3.97Å; W25-L64 HydrophobicContact CB-CD1 4.08Å; W25-L64 HydrophobicContact CD2-CD1 4.15Å; W25-L64 HydrophobicContact CG-CB 4.07Å; W25-L64 HydrophobicContact CG-CD1 3.71Å; W25-K65 PolarHBondContact N-O 2.95Å; W25-G66 CarbonylContact O-C 3.27Å; W25-G66 VanDerWaalsContact O-C 3.27Å; W25-M68 HydrophobicContact CB-CB 3.89Å; W25-M68 HydrophobicContact CB-CE 4.43Å; W25-M68 HydrophobicContact CB-SD 4.2Å; W25-M68 HydrophobicContact CE3-SD 4.25Å; W25-M68 WeakPolarHBondContact O-CB 3.33Å; W25-M68 PolarHBondContact O-N 3.37Å
26N95.8Very high94.4Very high59 Ų5983.8 Ų83.832%0.31644%0.441SS..  trans-83132.2-176.7-173.6-31.4000111.6Q28 L29 M68N26-Q28 PolarHBondContact ND2-OE1 2.87Å; N26-Q28 PolarHBondContact O-N 3.38Å; N26-Q28 PolarHBondContact OD1-N 2.85Å; N26-Q28 PolarHBondContact OD1-NE2 3.28Å; N26-Q28 VanDerWaalsContact OD1-NE2 3.15Å; N26-Q28 PolarHBondContact OD1-OE1 2.82Å; N26-L29 VanDerWaalsContact O-CB 3.3Å; N26-L29 WeakPolarHBondContact O-CB 3.43Å; N26-L29 WeakPolarHBondContact O-CG 3.28Å; N26-L29 PolarHBondContact O-N 3.34Å; N26-M68 WeakPolarHBondContact O-CE 3.5Å
27P95.6Very high94.6Very high58 Ų5885.7 Ų85.738%0.37744%0.443SS..G310 helixtrans-50.8-22.9175.5-30.635.8000116.7L29 L30 G66P27-L29 PolarHBondContact O-N 3.13Å; P27-L29 VanDerWaalsContact O-N 3.17Å; P27-L30 VanDerWaalsContact O-CB 3.29Å; P27-L30 WeakPolarHBondContact O-CB 3.3Å; P27-L30 PolarHBondContact O-N 3.13Å; P27-G66 WeakPolarHBondContact CD-O 3.47Å
28Q96.4Very high95Very high114 Ų11482.9 Ų82.953%0.53343%0.427SS..G310 helixtrans-61.8-21.6173.4-69.2104.642.900113.3N26 L30 E31N26-Q28 PolarHBondContact ND2-OE1 2.87Å; N26-Q28 PolarHBondContact O-N 3.38Å; N26-Q28 PolarHBondContact OD1-N 2.85Å; N26-Q28 PolarHBondContact OD1-NE2 3.28Å; N26-Q28 VanDerWaalsContact OD1-NE2 3.15Å; N26-Q28 PolarHBondContact OD1-OE1 2.82Å; Q28-L30 PolarHBondContact O-N 3.4Å; Q28-L30 VanDerWaalsContact O-N 3.13Å; Q28-E31 WeakPolarHBondContact O-CB 3.46Å; Q28-E31 VanDerWaalsContact O-CG 3.26Å; Q28-E31 WeakPolarHBondContact O-CG 3.45Å; Q28-E31 PolarHBondContact O-N 3.23Å; Q28-E31 VanDerWaalsContact O-N 3.17Å
29L96.9Very high95.3Very high78 Ų7882.2 Ų82.241%0.40842%0.417SS..G310 helixtrans-67.1-7.5171.4-62.2172.2000113W25 N26 P27 M68 T74 K75W25-L29 HydrophobicContact CE3-CD1 4.33Å; N26-L29 VanDerWaalsContact O-CB 3.3Å; N26-L29 WeakPolarHBondContact O-CB 3.43Å; N26-L29 WeakPolarHBondContact O-CG 3.28Å; N26-L29 PolarHBondContact O-N 3.34Å; P27-L29 PolarHBondContact O-N 3.13Å; P27-L29 VanDerWaalsContact O-N 3.17Å; L29-M68 HydrophobicContact CB-CE 3.71Å; L29-M68 HydrophobicContact CD1-CE 4.16Å; L29-M68 HydrophobicContact CG-CE 4.47Å; L29-T74 CarbonylContact O-C 3.54Å; L29-T74 WeakPolarHBondContact O-CA 3.28Å; L29-K75 PolarHBondContact O-N 2.86Å
30L97.3Very high95.6Very high48 Ų4880.4 Ų80.425%0.25140%0.404SS..G310 helixtrans-98.20.7175.7-52.7-177000113.3P27 Q28 V32 M68 Q72 L73P27-L30 VanDerWaalsContact O-CB 3.29Å; P27-L30 WeakPolarHBondContact O-CB 3.3Å; P27-L30 PolarHBondContact O-N 3.13Å; Q28-L30 PolarHBondContact O-N 3.4Å; Q28-L30 VanDerWaalsContact O-N 3.13Å; L30-V32 PolarHBondContact O-N 2.96Å; L30-M68 HydrophobicContact CD1-CE 4.43Å; L30-M68 HydrophobicContact CD1-CG 4.13Å; L30-M68 HydrophobicContact CD2-CE 3.71Å; L30-M68 HydrophobicContact CD2-CG 4.43Å; L30-M68 HydrophobicContact CD2-SD 3.91Å; L30-M68 HydrophobicContact CG-CE 3.8Å; L30-M68 HydrophobicContact CG-CG 4.46Å; L30-M68 HydrophobicContact CG-SD 4.4Å; L30-Q72 HydrophobicContact CD1-CB 4.29Å; L30-Q72 HydrophobicContact CD1-CG 4.41Å; L30-Q72 HydrophobicContact CD2-CB 3.65Å; L30-L73 VanDerWaalsContact CD2-O 3.3Å; L30-L73 WeakPolarHBondContact CD2-O 3.38Å
31E97.7Very high96.2Very high98 Ų9874 Ų7446%0.45838%0.379SS..PPolyproline II helixtrans-53.5122.9176.5-78.8174.2-172.700111.4Q28 P33 K75Q28-E31 WeakPolarHBondContact O-CB 3.46Å; Q28-E31 VanDerWaalsContact O-CG 3.26Å; Q28-E31 WeakPolarHBondContact O-CG 3.45Å; Q28-E31 PolarHBondContact O-N 3.23Å; Q28-E31 VanDerWaalsContact O-N 3.17Å; E31-P33 VanDerWaalsContact O-CD 3.3Å; E31-P33 WeakPolarHBondContact O-CD 3.46Å; E31-K75 HydrophobicContact CB-CD 4.25Å; E31-K75 WeakPolarHBondContact O-CB 3.46Å; E31-K75 WeakPolarHBondContact O-CG 3.3Å; E31-K75 IonicContact OE2-NZ 3.15Å; E31-K75 PolarHBondContact OE2-NZ 3.44Å
32V98Very high96.5Very high56 Ų5667.6 Ų67.634%0.33935%0.351SS..PPolyproline II helixtrans-77.3117-179.6-1770000109.3L30 T36 Q37 M78L30-V32 PolarHBondContact O-N 2.96Å; V32-T36 WeakPolarHBondContact CG1-OG1 3.47Å; V32-Q37 HydrophobicContact CG1-CG 3.76Å; V32-M78 HydrophobicContact CB-SD 4.26Å; V32-M78 HydrophobicContact CG1-SD 4.18Å; V32-M78 HydrophobicContact CG2-CE 4.17Å; V32-M78 HydrophobicContact CG2-SD 4.08Å
33P97.9Very high96.8Very high4 Ų465.8 Ų65.83%0.02634%0.344CS..PPolyproline II helixtrans-62.6133.5174.1-12.523.7000110.1E31 Q35 T36 K75 M78 Q79E31-P33 VanDerWaalsContact O-CD 3.3Å; E31-P33 WeakPolarHBondContact O-CD 3.46Å; P33-Q35 VanDerWaalsContact C-N 3.28Å; P33-Q35 VanDerWaalsContact CB-OE1 3.29Å; P33-Q35 PolarHBondContact O-N 2.96Å; P33-T36 HydrophobicContact CB-CG2 4.02Å; P33-T36 HydrophobicContact CG-CG2 4.03Å; P33-T36 PolarHBondContact O-N 3.33Å; P33-T36 PolarHBondContact O-OG1 3.3Å; P33-K75 HydrophobicContact CG-CG 3.94Å; P33-M78 HydrophobicContact CG-CB 4.32Å; P33-Q79 HydrophobicContact CG-CG 3.9Å
34P97.5Very high97Very high99 Ų9964.1 Ų64.164%0.64333%0.332SS*.G310 helixtrans-53.5-41-174.3-29.135.4000114.1T36 Q37P34-T36 PolarHBondContact O-N 3.24Å; P34-T36 VanDerWaalsContact O-N 3.09Å; P34-Q37 WeakPolarHBondContact O-CB 3.4Å; P34-Q37 PolarHBondContact O-N 3.02Å
35Q96.6Very high97.1Very high89 Ų8962.6 Ų62.642%0.41633%0.327SS..G310 helixtrans-65-15179.871-86.233.800113.9P33 F82 C132P33-Q35 VanDerWaalsContact C-N 3.28Å; P33-Q35 VanDerWaalsContact CB-OE1 3.29Å; P33-Q35 PolarHBondContact O-N 2.96Å; Q35-F82 HydrophobicContact CB-CE2 4.12Å; Q35-F82 HydrophobicContact CB-CZ 4.1Å; Q35-F82 HydrophobicContact CG-CD1 4.35Å; Q35-F82 HydrophobicContact CG-CD2 4.24Å; Q35-F82 HydrophobicContact CG-CE1 4.12Å; Q35-F82 HydrophobicContact CG-CE2 4.03Å; Q35-F82 HydrophobicContact CG-CG 4.4Å; Q35-F82 HydrophobicContact CG-CZ 3.97Å; Q35-F82 WeakPolarHBondContact O-CD2 3.43Å; Q35-F82 WeakPolarHBondContact O-CE2 3.42Å; Q35-C132 PolarHBondContact O-SG 2.92Å; Q35-C132 VanDerWaalsContact O-SG 3.35Å
36T96.9Very high97.1Very high0 Ų064.7 Ų64.70%036%0.356CS..G310 helixtrans-89.2-18.1177.671.80000112.2V32 P33 P34 F38 M78 F82 R123 C124 A127V32-T36 WeakPolarHBondContact CG1-OG1 3.47Å; P33-T36 HydrophobicContact CB-CG2 4.02Å; P33-T36 HydrophobicContact CG-CG2 4.03Å; P33-T36 PolarHBondContact O-N 3.33Å; P33-T36 PolarHBondContact O-OG1 3.3Å; P34-T36 PolarHBondContact O-N 3.24Å; P34-T36 VanDerWaalsContact O-N 3.09Å; T36-F38 PolarHBondContact O-N 3.39Å; T36-M78 HydrophobicContact CG2-CB 4.34Å; T36-F82 HydrophobicContact CG2-CB 3.98Å; T36-F82 HydrophobicContact CG2-CD2 4.12Å; T36-F82 HydrophobicContact CG2-CG 4.27Å; T36-R123 PolarHBondContact O-NH1 3.33Å; T36-R123 PolarHBondContact OG1-NH1 2.89Å; T36-R123 VanDerWaalsContact OG1-NH1 3.12Å; T36-C124 HydrophobicContact CG2-CB 4.48Å; T36-A127 VanDerWaalsContact O-CB 3.24Å; T36-A127 WeakPolarHBondContact O-CB 2.9Å
37Q95.6Very high97.1Very high116 Ų11664.1 Ų64.154%0.54236%0.363SS..  trans-63.6121.8-174.5-66.1-175.8-1.900110.3V32 P34 C132V32-Q37 HydrophobicContact CG1-CG 3.76Å; P34-Q37 WeakPolarHBondContact O-CB 3.4Å; P34-Q37 PolarHBondContact O-N 3.02Å; Q37-C132 PolarHBondContact O-SG 3.36Å
38F97Very high97.1Very high10 Ų1062.5 Ų62.54%0.04436%0.357CS..  trans-158.2113.9-177.2-160.3-152.3000109.7T36 F103 R123 L126 A127 F130 C132 K134 I138T36-F38 PolarHBondContact O-N 3.39Å; F38-F103 HydrophobicContact CZ-CB 4.32Å; F38-R123 HydrophobicContact CB-CG 4.14Å; F38-R123 WeakPolarHBondContact O-CD 3.27Å; F38-R123 VanDerWaalsContact O-CG 3.22Å; F38-R123 WeakPolarHBondContact O-CG 3.48Å; F38-L126 HydrophobicContact CD1-CB 3.87Å; F38-L126 HydrophobicContact CE1-CB 3.96Å; F38-A127 HydrophobicContact CB-CB 3.9Å; F38-A127 HydrophobicContact CD1-CB 4.27Å; F38-A127 HydrophobicContact CG-CB 4.36Å; F38-F130 HydrophobicContact CE1-CB 4.39Å; F38-F130 HydrophobicContact CZ-CB 4.34Å; F38-C132 HydrophobicContact CD2-CB 4.07Å; F38-C132 VanDerWaalsContact CE2-CA 3.49Å; F38-C132 HydrophobicContact CE2-CB 4.33Å; F38-C132 WeakPolarHBondContact CE2-O 3.46Å; F38-K134 HydrophobicContact CD2-CD 4.48Å; F38-K134 HydrophobicContact CE2-CB 3.99Å; F38-K134 HydrophobicContact CE2-CD 3.83Å; F38-K134 HydrophobicContact CE2-CG 3.93Å; F38-K134 HydrophobicContact CZ-CB 3.94Å; F38-K134 HydrophobicContact CZ-CD 4.38Å; F38-K134 HydrophobicContact CZ-CG 4.4Å; F38-I138 HydrophobicContact CD1-CD1 3.43Å; F38-I138 VanDerWaalsContact CD1-CD1 3.43Å; F38-I138 HydrophobicContact CD2-CD1 4.29Å; F38-I138 HydrophobicContact CE1-CD1 3.13Å; F38-I138 HydrophobicContact CE2-CD1 4.01Å; F38-I138 HydrophobicContact CG-CD1 4.02Å; F38-I138 HydrophobicContact CZ-CD1 3.46Å; F38-I138 VanDerWaalsContact CZ-CD1 3.46Å
39D97.2Very high97.2Very high121 Ų12162.3 Ų62.365%0.64737%0.366SS*.  trans-72.8136.5-170.1-49.9-41.9000112.1K134D39-K134 PolarHBondContact O-NZ 2.81Å; D39-K134 IonicContact OD2-NZ 2.68Å
40Y98.1Very high97.2Very high53 Ų5362.9 Ų62.921%0.20837%0.365CS..  trans-141.2158.8179.771.7-82.5000111.4V42 L119 E120 R123 I138 I140Y40-V42 HydrophobicContact CD2-CG2 3.77Å; Y40-V42 HydrophobicContact CE2-CG2 3.39Å; Y40-L119 HydrophobicContact CE2-CB 4.23Å; Y40-E120 WeakPolarHBondContact CE1-OE1 3.26Å; Y40-E120 PolarHBondContact OH-OE1 3.05Å; Y40-R123 HydrophobicContact CD1-CB 3.9Å; Y40-R123 HydrophobicContact CD1-CG 3.95Å; Y40-R123 HydrophobicContact CE1-CB 3.86Å; Y40-R123 HydrophobicContact CE1-CG 4.13Å; Y40-I138 WeakPolarHBondContact CA-O 3.21Å; Y40-I140 HydrophobicContact CD2-CD1 3.49Å; Y40-I140 VanDerWaalsContact CD2-CD1 3.49Å; Y40-I140 HydrophobicContact CD2-CG1 3.97Å; Y40-I140 HydrophobicContact CE2-CD1 3.87Å; Y40-I140 HydrophobicContact CG-CD1 4.03Å
41T98.1Very high97.1Very high79 Ų7962.4 Ų62.449%0.48537%0.365SS..EExtended strand (participates in β ladder)trans-115.3150171.7-58.40000109.2T43 I138 I139 I140T41-T43 HydrophobicContact CG2-CG2 4.49Å; T41-I138 PolarHBondContact N-O 3.18Å; T41-I139 WeakPolarHBondContact O-CA 3.12Å; T41-I140 PolarHBondContact O-N 3.03Å
42V98.4Very high97Very high20 Ų2065.3 Ų65.312%0.12137%0.373CS..EExtended strand (participates in β ladder)trans-115.6133.2175.6-171.30000109.6Y40 K50 L119 I140 T142Y40-V42 HydrophobicContact CD2-CG2 3.77Å; Y40-V42 HydrophobicContact CE2-CG2 3.39Å; V42-K50 HydrophobicContact CB-CB 4.1Å; V42-K50 HydrophobicContact CB-CD 3.94Å; V42-K50 HydrophobicContact CB-CG 3.99Å; V42-K50 HydrophobicContact CG1-CB 4.11Å; V42-K50 HydrophobicContact CG1-CD 3.96Å; V42-K50 HydrophobicContact CG1-CG 3.67Å; V42-K50 HydrophobicContact CG2-CD 4.4Å; V42-L119 HydrophobicContact CG1-CD2 4.2Å; V42-L119 HydrophobicContact CG2-CD1 4.12Å; V42-L119 HydrophobicContact CG2-CD2 4.07Å; V42-I140 WeakPolarHBondContact CA-O 3.34Å; V42-T142 HydrophobicContact CG1-CG2 3.69Å
43T98.4Very high96.9Very high17 Ų1763.1 Ų63.110%0.10436%0.36CS..EExtended strand (participates in β ladder)trans-129.1159.2175.958.90000110.4T41 G48 I139 I140 H141 T142T41-T43 HydrophobicContact CG2-CG2 4.49Å; T43-G48 WeakPolarHBondContact CA-O 3.45Å; T43-G48 WeakPolarHBondContact CB-O 3.44Å; T43-I139 HydrophobicContact CG2-CG2 4Å; T43-I139 WeakPolarHBondContact OG1-CG2 3.36Å; T43-I140 PolarHBondContact N-O 3.38Å; T43-I140 VanDerWaalsContact N-O 3.07Å; T43-H141 PolarHBondContact OG1-CE1 2.94Å; T43-H141 PolarHBondContact OG1-ND1 3.27Å; T43-H141 VanDerWaalsContact OG1-ND1 3.09Å; T43-T142 PolarHBondContact O-N 3.29Å
44N97.7Very high96.8Very high49 Ų4966.4 Ų66.426%0.26238%0.381SS..EExtended strand (participates in β ladder)trans-67.8174165.772.125.1000110.7A46 G47 G48 P51 H141 T142N44-A46 PolarHBondContact O-N 2.67Å; N44-A46 VanDerWaalsContact O-N 3.1Å; N44-A46 WeakPolarHBondContact OD1-CA 3.38Å; N44-A46 WeakPolarHBondContact OD1-CB 3.32Å; N44-A46 PolarHBondContact OD1-N 3.46Å; N44-G47 PolarHBondContact O-N 2.92Å; N44-G47 PolarHBondContact OD1-N 2.95Å; N44-G47 VanDerWaalsContact OD1-N 3.11Å; N44-G48 PolarHBondContact N-O 2.98Å; N44-G48 VanDerWaalsContact N-O 3.07Å; N44-G48 WeakPolarHBondContact OD1-CA 3.48Å; N44-G48 PolarHBondContact OD1-N 2.94Å; N44-P51 HydrophobicContact CB-CG 4.48Å; N44-H141 PolarHBondContact O-ND1 3.44Å; N44-T142 CarbonylContact C-O 3.6Å; N44-T142 VanDerWaalsContact CA-O 3.3Å; N44-T142 WeakPolarHBondContact CA-O 3.2Å
45L96.1Very high96.6Very high94 Ų9467.6 Ų67.649%0.49237%0.374SS..THydrogen-bonded Turntrans-60.6-21.3-179.4-58.6-175.6000114.6H141 T142 D143L45-H141 HydrophobicContact CD2-CB 4.25Å; L45-T142 PolarHBondContact N-O 2.71Å; L45-T142 VanDerWaalsContact N-O 3.17Å; L45-D143 HydrophobicContact CD1-CB 4.22Å; L45-D143 HydrophobicContact CG-CB 4.45Å
46A96.3Very high96.5Very high97 Ų9764.3 Ų64.380%0.80236%0.359SS*.THydrogen-bonded Turntrans-945177.400000113.4N44 G48N44-A46 PolarHBondContact O-N 2.67Å; N44-A46 VanDerWaalsContact O-N 3.1Å; N44-A46 WeakPolarHBondContact OD1-CA 3.38Å; N44-A46 WeakPolarHBondContact OD1-CB 3.32Å; N44-A46 PolarHBondContact OD1-N 3.46Å; A46-G48 VanDerWaalsContact C-N 3.33Å
47G95Very high96.4Very high46 Ų4666.5 Ų66.547%0.47437%0.374SS..SBendtrans81.27.9-177.600000114.8N44N44-G47 PolarHBondContact O-N 2.92Å; N44-G47 PolarHBondContact OD1-N 2.95Å; N44-G47 VanDerWaalsContact OD1-N 3.11Å
48G96.8Very high96.3Very high24 Ų2466 Ų6625%0.24737%0.372CS..  trans-79.1-172.3173.100000113.3T43 N44 A46T43-G48 WeakPolarHBondContact CA-O 3.45Å; T43-G48 WeakPolarHBondContact CB-O 3.44Å; N44-G48 PolarHBondContact N-O 2.98Å; N44-G48 VanDerWaalsContact N-O 3.07Å; N44-G48 WeakPolarHBondContact OD1-CA 3.48Å; N44-G48 PolarHBondContact OD1-N 2.94Å; A46-G48 VanDerWaalsContact C-N 3.33Å
49P97.3Very high96.2Very high110 Ų11067.1 Ų67.171%0.71438%0.376SS*.BIsolated β-bridgetrans-60.7153.1-178.326.3-34.6000112.4
50K96.9Very high96Very high91 Ų9164.8 Ų64.840%0.39636%0.361SS..PPolyproline II helixtrans-52.6125173.3-179.2-175.7176.6-175.20109.7V42 N114V42-K50 HydrophobicContact CB-CB 4.1Å; V42-K50 HydrophobicContact CB-CD 3.94Å; V42-K50 HydrophobicContact CB-CG 3.99Å; V42-K50 HydrophobicContact CG1-CB 4.11Å; V42-K50 HydrophobicContact CG1-CD 3.96Å; V42-K50 HydrophobicContact CG1-CG 3.67Å; V42-K50 HydrophobicContact CG2-CD 4.4Å; K50-N114 WeakPolarHBondContact CE-OD1 3.49Å
51P95.6Very high95.9Very high37 Ų3769.6 Ų69.624%0.2439%0.386CS..PPolyproline II helixtrans-68.3164.917727-29.6000111.3N44 N114 T142N44-P51 HydrophobicContact CB-CG 4.48Å; P51-N114 PolarHBondContact O-ND2 2.86Å; P51-T142 HydrophobicContact CG-CG2 3.76Å
52Y95.9Very high95.8Very high160 Ų16067.8 Ų67.863%0.62738%0.375SS*.PPolyproline II helixtrans-67.1141171.8171.3-107.8000111.1P54 S57 N114Y52-P54 HydrophobicContact CE1-CB 4.02Å; Y52-P54 WeakPolarHBondContact O-CD 3.26Å; Y52-S57 WeakPolarHBondContact CE2-OG 3.31Å; Y52-S57 VanDerWaalsContact CZ-OG 3.27Å; Y52-S57 WeakPolarHBondContact OH-CB 3.49Å; Y52-S57 PolarHBondContact OH-OG 3.21Å; Y52-N114 VanDerWaalsContact C-ND2 3.35Å; Y52-N114 PolarHBondContact O-ND2 3.49Å
53S95.9Very high95.7Very high9 Ų970.9 Ų70.96%0.06339%0.394CS..  trans-103.3104.7174.51790000110.4Y55 D56 S57 N114S53-Y55 PolarHBondContact O-N 2.97Å; S53-D56 WeakPolarHBondContact CB-OD2 3.34Å; S53-D56 PolarHBondContact O-N 2.94Å; S53-D56 PolarHBondContact OG-N 2.95Å; S53-D56 VanDerWaalsContact OG-N 3.07Å; S53-D56 PolarHBondContact OG-OD2 3.1Å; S53-S57 PolarHBondContact O-N 2.91Å; S53-N114 WeakPolarHBondContact CB-O 3.41Å; S53-N114 PolarHBondContact OG-O 3.11Å
54P95.3Very high95.6Very high73 Ų7370.5 Ų70.547%0.47439%0.391SS..Hα-helixtrans-64.3-31.3174.926.1-33.5000111.4Y52 Q58Y52-P54 HydrophobicContact CE1-CB 4.02Å; Y52-P54 WeakPolarHBondContact O-CD 3.26Å; P54-Q58 WeakPolarHBondContact O-CB 3.46Å; P54-Q58 PolarHBondContact O-N 3.13Å
55Y94.4Very high95.5Very high125 Ų12572.3 Ų72.349%0.4940%0.396SS..Hα-helixtrans-67.1-46.9178.9-63.6-68.7000112.2S53 S57 Q58 Y59 I115S53-Y55 PolarHBondContact O-N 2.97Å; Y55-S57 VanDerWaalsContact C-N 3.33Å; Y55-S57 PolarHBondContact O-N 3.31Å; Y55-Q58 PolarHBondContact O-N 2.89Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.33Å; Y55-Y59 WeakPolarHBondContact O-CE2 3.41Å; Y55-Y59 PolarHBondContact O-N 2.78Å; Y55-I115 HydrophobicContact CD2-CD1 4.25Å; Y55-I115 HydrophobicContact CD2-CG1 4.2Å; Y55-I115 HydrophobicContact CG-CD1 4.3Å; Y55-I115 HydrophobicContact CG-CG1 4.44Å
56D93.6Very high95.4Very high20 Ų2069.7 Ų69.711%0.10739%0.392CS..Hα-helixtrans-61.4-45.6177.9-73.2-33.3000109.8S53 Q58 Y59 H60 I115 F116S53-D56 WeakPolarHBondContact CB-OD2 3.34Å; S53-D56 PolarHBondContact O-N 2.94Å; S53-D56 PolarHBondContact OG-N 2.95Å; S53-D56 VanDerWaalsContact OG-N 3.07Å; S53-D56 PolarHBondContact OG-OD2 3.1Å; D56-Q58 PolarHBondContact O-N 3.43Å; D56-Y59 PolarHBondContact O-N 3.27Å; D56-H60 PolarHBondContact O-N 3Å; D56-H60 PolarHBondContact O-ND1 3.18Å; D56-I115 WeakPolarHBondContact OD1-CG2 3.37Å; D56-F116 VanDerWaalsContact CG-N 3.33Å; D56-F116 PolarHBondContact OD1-N 3.17Å; D56-F116 PolarHBondContact OD2-N 3.25Å
57S94.3Very high95.3Very high46 Ų4667.1 Ų67.132%0.32238%0.375SS..Hα-helixtrans-58.1-47.5175.7-71.10000112.9Y52 S53 Y55 Y59 H60 E61Y52-S57 WeakPolarHBondContact CE2-OG 3.31Å; Y52-S57 VanDerWaalsContact CZ-OG 3.27Å; Y52-S57 WeakPolarHBondContact OH-CB 3.49Å; Y52-S57 PolarHBondContact OH-OG 3.21Å; S53-S57 PolarHBondContact O-N 2.91Å; Y55-S57 VanDerWaalsContact C-N 3.33Å; Y55-S57 PolarHBondContact O-N 3.31Å; S57-Y59 VanDerWaalsContact C-N 3.33Å; S57-Y59 PolarHBondContact O-N 3.35Å; S57-H60 PolarHBondContact O-N 3.43Å; S57-E61 PolarHBondContact O-N 3.29Å
58Q95.2Very high95.4Very high106 Ų10665 Ų6550%0.49535%0.353SS..Hα-helixtrans-60.5-40.8178.4-172.8-172.1-3600112.2P54 Y55 D56 H60 E61P54-Q58 WeakPolarHBondContact O-CB 3.46Å; P54-Q58 PolarHBondContact O-N 3.13Å; Y55-Q58 PolarHBondContact O-N 2.89Å; D56-Q58 PolarHBondContact O-N 3.43Å; Q58-H60 VanDerWaalsContact C-N 3.34Å; Q58-E61 WeakPolarHBondContact O-CB 3.31Å; Q58-E61 PolarHBondContact O-N 3.34Å
59Y93.3Very high95.4Very high32 Ų3267.9 Ų67.913%0.12536%0.359CS..Hα-helixtrans-70.3-30.9178.7-60.2-43.9000112.6L14 Y55 D56 S57 E61 T62 A70 I115L14-Y59 HydrophobicContact CB-CD1 4.4Å; L14-Y59 HydrophobicContact CB-CE1 4.2Å; L14-Y59 HydrophobicContact CD1-CE1 3.92Å; L14-Y59 HydrophobicContact CD2-CD1 3.92Å; L14-Y59 HydrophobicContact CD2-CE1 3.73Å; L14-Y59 HydrophobicContact CD2-CE2 4.38Å; L14-Y59 HydrophobicContact CD2-CG 4.34Å; L14-Y59 HydrophobicContact CG-CE1 4.14Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.33Å; Y55-Y59 WeakPolarHBondContact O-CE2 3.41Å; Y55-Y59 PolarHBondContact O-N 2.78Å; D56-Y59 PolarHBondContact O-N 3.27Å; S57-Y59 VanDerWaalsContact C-N 3.33Å; S57-Y59 PolarHBondContact O-N 3.35Å; Y59-E61 PolarHBondContact O-N 3.12Å; Y59-T62 PolarHBondContact O-N 2.96Å; Y59-A70 WeakPolarHBondContact O-CB 3.32Å; Y59-I115 HydrophobicContact CE2-CG2 4.35Å
60H94.1Very high95.3Very high73 Ų7362.7 Ų62.734%0.33833%0.325SS..Hα-helixtrans-72.3-12.2176.4-75.191.5000113.6D56 S57 Q58 T62 F69 Q72D56-H60 PolarHBondContact O-N 3Å; D56-H60 PolarHBondContact O-ND1 3.18Å; S57-H60 PolarHBondContact O-N 3.43Å; Q58-H60 VanDerWaalsContact C-N 3.34Å; H60-T62 PolarHBondContact O-N 3.49Å; H60-F69 AromaticContact CD2-CD2 3.28Å; H60-F69 WeakPolarHBondContact CD2-CD2 3.49Å; H60-F69 AromaticContact CD2-CE2 3.76Å; H60-F69 AromaticContact CD2-CG 3.48Å; H60-F69 VanDerWaalsContact CD2-CG 3.48Å; H60-F69 WeakPolarHBondContact CD2-CG 3.41Å; H60-F69 AromaticContact NE2-CD2 3.79Å; H60-Q72 PolarHBondContact CE1-NE2 3.22Å; H60-Q72 PolarHBondContact NE2-NE2 3.15Å; H60-Q72 VanDerWaalsContact NE2-NE2 3.2Å
61E95.7Very high95.3Very high154 Ų15458.5 Ų58.572%0.7231%0.307SS*.THydrogen-bonded Turntrans-67.5-19.6170.5-64.3173.1-174.700112.4S57 Q58 Y59S57-E61 PolarHBondContact O-N 3.29Å; Q58-E61 WeakPolarHBondContact O-CB 3.31Å; Q58-E61 PolarHBondContact O-N 3.34Å; Y59-E61 PolarHBondContact O-N 3.12Å
62T95.6Very high95.4Very high41 Ų4157.8 Ų57.825%0.25230%0.301SS..  trans-107.9114.8179.9-600000110.9P16 Y59 H60 L64 F69 A70P16-T62 HydrophobicContact CG-CG2 4.49Å; Y59-T62 PolarHBondContact O-N 2.96Å; H60-T62 PolarHBondContact O-N 3.49Å; T62-L64 HydrophobicContact CG2-CD2 4.26Å; T62-F69 WeakPolarHBondContact O-CA 3.24Å; T62-A70 HydrophobicContact CG2-CB 4.06Å; T62-A70 PolarHBondContact O-N 2.98Å
63T95.8Very high95.6Very high85 Ų8550.4 Ų50.452%0.52127%0.272SS..BIsolated β-bridgetrans-97.9121.2167.1-55.10000109.4
64L95.9Very high95.7Very high8 Ų850.7 Ų50.74%0.04227%0.273CS..PPolyproline II helixtrans-76.6157.6177.4-57.8171.3000110.3P13 W25 T62 G66 G67 M68P13-L64 HydrophobicContact CG-CD1 4.5Å; W25-L64 HydrophobicContact CB-CB 3.97Å; W25-L64 HydrophobicContact CB-CD1 4.08Å; W25-L64 HydrophobicContact CD2-CD1 4.15Å; W25-L64 HydrophobicContact CG-CB 4.07Å; W25-L64 HydrophobicContact CG-CD1 3.71Å; T62-L64 HydrophobicContact CG2-CD2 4.26Å; L64-G66 PolarHBondContact O-N 3.34Å; L64-G67 PolarHBondContact O-N 3.49Å; L64-M68 WeakPolarHBondContact CB-O 3.13Å; L64-M68 PolarHBondContact N-O 2.98Å
65K95.8Very high95.8Very high87 Ų8750.6 Ų50.638%0.37827%0.266SS..THydrogen-bonded Turntrans-51.4132.8170.7-170.9-169.4175.2-179.60108.4Q22 E24 W25Q22-K65 HydrophobicContact CB-CB 4.11Å; Q22-K65 HydrophobicContact CB-CD 3.95Å; Q22-K65 WeakPolarHBondContact O-CD 3.35Å; Q22-K65 PolarHBondContact O-NZ 3.45Å; E24-K65 CarbonylContact C-O 3.52Å; E24-K65 WeakPolarHBondContact CA-O 3.46Å; E24-K65 HydrophobicContact CG-CD 3.85Å; E24-K65 HydrophobicContact CG-CG 4.04Å; W25-K65 PolarHBondContact N-O 2.95Å
66G94.5Very high96Very high40 Ų4048.5 Ų48.541%0.41227%0.266SS..THydrogen-bonded Turntrans96.2-8.9-173.100000115.1W25 P27 L64W25-G66 CarbonylContact O-C 3.27Å; W25-G66 VanDerWaalsContact O-C 3.27Å; P27-G66 WeakPolarHBondContact CD-O 3.47Å; L64-G66 PolarHBondContact O-N 3.34Å
67G94.8Very high96.3Very high42 Ų4247.5 Ų47.543%0.43326%0.26SS..SBendtrans95.51.8168.200000115.7L64L64-G67 PolarHBondContact O-N 3.49Å
68M95.9Very high96.5Very high2 Ų245.8 Ų45.81%0.0125%0.247CC..PPolyproline II helixtrans-82.2139.1175.3-174.5-170-67.400112S12 W25 N26 L29 L30 L64 Q72S12-M68 WeakPolarHBondContact CB-SD 3.39Å; W25-M68 HydrophobicContact CB-CB 3.89Å; W25-M68 HydrophobicContact CB-CE 4.43Å; W25-M68 HydrophobicContact CB-SD 4.2Å; W25-M68 HydrophobicContact CE3-SD 4.25Å; W25-M68 WeakPolarHBondContact O-CB 3.33Å; W25-M68 PolarHBondContact O-N 3.37Å; N26-M68 WeakPolarHBondContact O-CE 3.5Å; L29-M68 HydrophobicContact CB-CE 3.71Å; L29-M68 HydrophobicContact CD1-CE 4.16Å; L29-M68 HydrophobicContact CG-CE 4.47Å; L30-M68 HydrophobicContact CD1-CE 4.43Å; L30-M68 HydrophobicContact CD1-CG 4.13Å; L30-M68 HydrophobicContact CD2-CE 3.71Å; L30-M68 HydrophobicContact CD2-CG 4.43Å; L30-M68 HydrophobicContact CD2-SD 3.91Å; L30-M68 HydrophobicContact CG-CE 3.8Å; L30-M68 HydrophobicContact CG-CG 4.46Å; L30-M68 HydrophobicContact CG-SD 4.4Å; L64-M68 WeakPolarHBondContact CB-O 3.13Å; L64-M68 PolarHBondContact N-O 2.98Å; M68-Q72 HydrophobicContact CG-CB 4.39Å; M68-Q72 HydrophobicContact CG-CG 4.26Å; M68-Q72 HydrophobicContact SD-CB 4.3Å
69F96.9Very high96.7Very high85 Ų8544.8 Ų44.837%0.37324%0.243SC..BIsolated β-bridgetrans-66.9155.3169.7-60.3-58.1000112.9S12 H60 T62 Q72S12-F69 PolarHBondContact OG-O 3.16Å; H60-F69 AromaticContact CD2-CD2 3.28Å; H60-F69 WeakPolarHBondContact CD2-CD2 3.49Å; H60-F69 AromaticContact CD2-CE2 3.76Å; H60-F69 AromaticContact CD2-CG 3.48Å; H60-F69 VanDerWaalsContact CD2-CG 3.48Å; H60-F69 WeakPolarHBondContact CD2-CG 3.41Å; H60-F69 AromaticContact NE2-CD2 3.79Å; T62-F69 WeakPolarHBondContact O-CA 3.24Å; F69-Q72 HydrophobicContact CB-CG 3.96Å; F69-Q72 VanDerWaalsContact O-CG 3.23Å; F69-Q72 WeakPolarHBondContact O-CG 3.33Å
70A96.8Very high96.9Very high0 Ų047.8 Ų47.80%026%0.258CS..THydrogen-bonded Turntrans-66.5149.9175.700000112.1P13 Y59 T62 Q72P13-A70 CarbonylContact O-C 3.5Å; P13-A70 VanDerWaalsContact O-CA 3.27Å; P13-A70 WeakPolarHBondContact O-CA 3.38Å; P13-A70 VanDerWaalsContact O-CB 3.3Å; P13-A70 WeakPolarHBondContact O-CB 3.03Å; Y59-A70 WeakPolarHBondContact O-CB 3.32Å; T62-A70 HydrophobicContact CG2-CB 4.06Å; T62-A70 PolarHBondContact O-N 2.98Å; A70-Q72 VanDerWaalsContact C-N 3.3Å; A70-Q72 PolarHBondContact O-N 3.16Å
71G96.8Very high97.2Very high3 Ų344.7 Ų44.73%0.03124%0.244CC..THydrogen-bonded Turntrans6914.5171.900000117.3S12 P13 R117S12-G71 PolarHBondContact OG-N 3.48Å; P13-G71 PolarHBondContact O-N 3.05Å; G71-R117 WeakPolarHBondContact O-CD 3.29Å; G71-R117 PolarHBondContact O-NH1 2.89Å
72Q97.7Very high97.3Very high22 Ų2238.2 Ų38.210%0.10321%0.213CC..PPolyproline II helixtrans-75.5138.1-179.6-60.4-65.4-50.100111.4R11 S12 L30 H60 M68 F69 A70 T74R11-Q72 CarbonylContact C-O 3.54Å; R11-Q72 WeakPolarHBondContact CA-O 3.47Å; R11-Q72 WeakPolarHBondContact CB-O 3.38Å; S12-Q72 PolarHBondContact N-O 3.43Å; S12-Q72 PolarHBondContact OG-N 3.39Å; L30-Q72 HydrophobicContact CD1-CB 4.29Å; L30-Q72 HydrophobicContact CD1-CG 4.41Å; L30-Q72 HydrophobicContact CD2-CB 3.65Å; H60-Q72 PolarHBondContact CE1-NE2 3.22Å; H60-Q72 PolarHBondContact NE2-NE2 3.15Å; H60-Q72 VanDerWaalsContact NE2-NE2 3.2Å; M68-Q72 HydrophobicContact CG-CB 4.39Å; M68-Q72 HydrophobicContact CG-CG 4.26Å; M68-Q72 HydrophobicContact SD-CB 4.3Å; F69-Q72 HydrophobicContact CB-CG 3.96Å; F69-Q72 VanDerWaalsContact O-CG 3.23Å; F69-Q72 WeakPolarHBondContact O-CG 3.33Å; A70-Q72 VanDerWaalsContact C-N 3.3Å; A70-Q72 PolarHBondContact O-N 3.16Å; Q72-T74 PolarHBondContact O-N 3.45Å
73L98.6Very high97.5Very high6 Ų637.9 Ų37.93%0.03121%0.214CC..BIsolated β-bridgetrans-69.8129.3175-173.171000109.8A10 L30 M78 R117 E120 S121A10-L73 WeakPolarHBondContact O-CD1 3.12Å; L30-L73 VanDerWaalsContact CD2-O 3.3Å; L30-L73 WeakPolarHBondContact CD2-O 3.38Å; L73-M78 HydrophobicContact CD2-CG 3.69Å; L73-M78 HydrophobicContact CG-CG 4.08Å; L73-R117 HydrophobicContact CB-CB 3.91Å; L73-E120 HydrophobicContact CD2-CB 3.62Å; L73-S121 WeakPolarHBondContact CD1-OG 3.5Å
74T98.5Very high97.6Very high14 Ų1435.7 Ų35.79%0.08620%0.199CC..PPolyproline II helixtrans-89.4163-179.263.70000111.8A10 L29 Q72 V76 G77 M78A10-T74 PolarHBondContact O-N 2.74Å; A10-T74 PolarHBondContact O-OG1 2.7Å; L29-T74 CarbonylContact O-C 3.54Å; L29-T74 WeakPolarHBondContact O-CA 3.28Å; Q72-T74 PolarHBondContact O-N 3.45Å; T74-V76 PolarHBondContact O-N 2.92Å; T74-G77 CarbonylContact O-C 3.58Å; T74-G77 VanDerWaalsContact O-CA 3.31Å; T74-G77 WeakPolarHBondContact O-CA 3.34Å; T74-G77 PolarHBondContact O-N 2.92Å; T74-G77 PolarHBondContact OG1-N 3.35Å; T74-M78 WeakPolarHBondContact O-CG 3.5Å; T74-M78 PolarHBondContact O-N 3.39Å
75K98.6Very high97.8Very high72 Ų7235.3 Ų35.331%0.31320%0.197SC..Hα-helixtrans-49.2-44169.8-174.4176.4-168.4164.90112.4L29 E31 P33 G77 M78 Q79L29-K75 PolarHBondContact O-N 2.86Å; E31-K75 HydrophobicContact CB-CD 4.25Å; E31-K75 WeakPolarHBondContact O-CB 3.46Å; E31-K75 WeakPolarHBondContact O-CG 3.3Å; E31-K75 IonicContact OE2-NZ 3.15Å; E31-K75 PolarHBondContact OE2-NZ 3.44Å; P33-K75 HydrophobicContact CG-CG 3.94Å; K75-G77 VanDerWaalsContact C-N 3.34Å; K75-G77 PolarHBondContact O-N 3.19Å; K75-M78 PolarHBondContact O-N 3.26Å; K75-Q79 WeakPolarHBondContact O-CG 3.46Å; K75-Q79 PolarHBondContact O-N 3.07Å
76V98.6Very high97.9Very high80 Ų8035.4 Ų35.449%0.48520%0.199SC..Hα-helixtrans-60.8-44.6174.5175.50000110.6A10 T74 M78 Q79 Q80A10-V76 HydrophobicContact CB-CG1 4.31Å; T74-V76 PolarHBondContact O-N 2.92Å; V76-M78 PolarHBondContact O-N 3.21Å; V76-Q79 PolarHBondContact O-N 3.02Å; V76-Q80 VanDerWaalsContact O-CG 3.26Å; V76-Q80 WeakPolarHBondContact O-CG 3.31Å; V76-Q80 PolarHBondContact O-N 3.09Å
77G98.8Very high98.1Very high0 Ų040.6 Ų40.60%021%0.206CC..Hα-helixtrans-61.1-41.8175.300000113.2A10 T74 K75 Q80 M81A10-G77 WeakPolarHBondContact O-CA 3.46Å; T74-G77 CarbonylContact O-C 3.58Å; T74-G77 VanDerWaalsContact O-CA 3.31Å; T74-G77 WeakPolarHBondContact O-CA 3.34Å; T74-G77 PolarHBondContact O-N 2.92Å; T74-G77 PolarHBondContact OG1-N 3.35Å; K75-G77 VanDerWaalsContact C-N 3.34Å; K75-G77 PolarHBondContact O-N 3.19Å; G77-Q80 WeakPolarHBondContact O-CB 3.44Å; G77-Q80 PolarHBondContact O-N 3.23Å; G77-M81 WeakPolarHBondContact O-CG 3.31Å; G77-M81 PolarHBondContact O-N 2.78Å; G77-M81 VanDerWaalsContact O-N 3.13Å
78M98.9Very high98.3Very high9 Ų939.5 Ų39.54%0.04419%0.19CC..Hα-helixtrans-62-45175.8-63.5-179.9-161.500111.5V32 P33 T36 L73 T74 K75 V76 Q80 M81 F82 C124V32-M78 HydrophobicContact CB-SD 4.26Å; V32-M78 HydrophobicContact CG1-SD 4.18Å; V32-M78 HydrophobicContact CG2-CE 4.17Å; V32-M78 HydrophobicContact CG2-SD 4.08Å; P33-M78 HydrophobicContact CG-CB 4.32Å; T36-M78 HydrophobicContact CG2-CB 4.34Å; L73-M78 HydrophobicContact CD2-CG 3.69Å; L73-M78 HydrophobicContact CG-CG 4.08Å; T74-M78 WeakPolarHBondContact O-CG 3.5Å; T74-M78 PolarHBondContact O-N 3.39Å; K75-M78 PolarHBondContact O-N 3.26Å; V76-M78 PolarHBondContact O-N 3.21Å; M78-Q80 PolarHBondContact O-N 3.44Å; M78-M81 PolarHBondContact O-N 2.96Å; M78-F82 PolarHBondContact O-N 3.4Å; M78-C124 VanDerWaalsContact CB-SG 3.59Å; M78-C124 WeakPolarHBondContact O-CB 3.44Å
79Q98.8Very high98.4Very high86 Ų8641.4 Ų41.440%0.40220%0.198SC..Hα-helixtrans-63.2-39.9176.5-70.8172.8-33.500112.5P33 K75 V76 M81 F82 A83P33-Q79 HydrophobicContact CG-CG 3.9Å; K75-Q79 WeakPolarHBondContact O-CG 3.46Å; K75-Q79 PolarHBondContact O-N 3.07Å; V76-Q79 PolarHBondContact O-N 3.02Å; Q79-M81 VanDerWaalsContact C-N 3.31Å; Q79-M81 PolarHBondContact O-N 3.1Å; Q79-F82 PolarHBondContact O-N 3.01Å; Q79-A83 WeakPolarHBondContact O-CB 3.44Å; Q79-A83 PolarHBondContact O-N 2.71Å
80Q98.9Very high98.5Very high94 Ų9441.7 Ų41.744%0.43920%0.198SC..Hα-helixtrans-59.3-42.8175.2-74.3168.3-15.200111.9V76 G77 M78 L84V76-Q80 VanDerWaalsContact O-CG 3.26Å; V76-Q80 WeakPolarHBondContact O-CG 3.31Å; V76-Q80 PolarHBondContact O-N 3.09Å; G77-Q80 WeakPolarHBondContact O-CB 3.44Å; G77-Q80 PolarHBondContact O-N 3.23Å; M78-Q80 PolarHBondContact O-N 3.44Å; Q80-L84 PolarHBondContact O-N 2.95Å
81M98.9Very high98.6Very high8 Ų845.2 Ų45.24%0.03922%0.218CC..Hα-helixtrans-71-39.3179.9-65.1-49.9-51.700111.9F6 G77 M78 Q79 L84 G85 S121 C124 L125F6-M81 HydrophobicContact CD2-CE 3.26Å; F6-M81 HydrophobicContact CD2-SD 4.45Å; F6-M81 HydrophobicContact CE2-CE 3.45Å; F6-M81 VanDerWaalsContact CE2-CE 3.45Å; F6-M81 HydrophobicContact CG-CE 4.03Å; F6-M81 HydrophobicContact CZ-CE 4.35Å; G77-M81 WeakPolarHBondContact O-CG 3.31Å; G77-M81 PolarHBondContact O-N 2.78Å; G77-M81 VanDerWaalsContact O-N 3.13Å; M78-M81 PolarHBondContact O-N 2.96Å; Q79-M81 VanDerWaalsContact C-N 3.31Å; Q79-M81 PolarHBondContact O-N 3.1Å; M81-L84 HydrophobicContact CE-CD2 3.94Å; M81-L84 WeakPolarHBondContact O-CB 3.35Å; M81-L84 PolarHBondContact O-N 3.2Å; M81-G85 PolarHBondContact O-N 3.26Å; M81-S121 WeakPolarHBondContact CB-O 3.49Å; M81-C124 HydrophobicContact CB-CB 3.65Å; M81-L125 HydrophobicContact CE-CB 4.01Å; M81-L125 HydrophobicContact CE-CD1 3.77Å; M81-L125 VanDerWaalsContact O-CA 3.31Å; M81-L125 WeakPolarHBondContact O-CA 3.16Å
82F98.9Very high98.6Very high19 Ų1948.1 Ų48.18%0.08323%0.228CC..Hα-helixtrans-58.6-49.4172.2-175-90.6000111.9Q35 T36 M78 Q79 L84 G85 E86 C124 A127 G128Q35-F82 HydrophobicContact CB-CE2 4.12Å; Q35-F82 HydrophobicContact CB-CZ 4.1Å; Q35-F82 HydrophobicContact CG-CD1 4.35Å; Q35-F82 HydrophobicContact CG-CD2 4.24Å; Q35-F82 HydrophobicContact CG-CE1 4.12Å; Q35-F82 HydrophobicContact CG-CE2 4.03Å; Q35-F82 HydrophobicContact CG-CG 4.4Å; Q35-F82 HydrophobicContact CG-CZ 3.97Å; Q35-F82 WeakPolarHBondContact O-CD2 3.43Å; Q35-F82 WeakPolarHBondContact O-CE2 3.42Å; T36-F82 HydrophobicContact CG2-CB 3.98Å; T36-F82 HydrophobicContact CG2-CD2 4.12Å; T36-F82 HydrophobicContact CG2-CG 4.27Å; M78-F82 PolarHBondContact O-N 3.4Å; Q79-F82 PolarHBondContact O-N 3.01Å; F82-L84 VanDerWaalsContact C-N 3.26Å; F82-L84 PolarHBondContact O-N 3.39Å; F82-G85 CarbonylContact O-C 3.44Å; F82-G85 VanDerWaalsContact O-CA 3.28Å; F82-G85 WeakPolarHBondContact O-CA 3.37Å; F82-G85 PolarHBondContact O-N 3.04Å; F82-E86 HydrophobicContact CD1-CG 4.06Å; F82-E86 HydrophobicContact CE1-CG 3.73Å; F82-E86 WeakPolarHBondContact CE1-OE1 3.39Å; F82-E86 HydrophobicContact CZ-CG 4.35Å; F82-E86 PolarHBondContact O-N 3.45Å; F82-C124 VanDerWaalsContact CA-O 3.31Å; F82-C124 WeakPolarHBondContact CA-O 3.46Å; F82-A127 HydrophobicContact CD2-CB 4.04Å; F82-A127 HydrophobicContact CE2-CB 4.23Å; F82-G128 VanDerWaalsContact CD2-CA 3.5Å; F82-G128 VanDerWaalsContact CE2-CA 3.41Å
83A98.8Very high98.7Very high33 Ų3347.9 Ų47.927%0.27323%0.228SC..Hα-helixtrans-62.4-32.8177.300000112.6Q79 E86 R87Q79-A83 WeakPolarHBondContact O-CB 3.44Å; Q79-A83 PolarHBondContact O-N 2.71Å; A83-E86 PolarHBondContact O-N 3.12Å; A83-R87 WeakPolarHBondContact O-CG 3.47Å; A83-R87 PolarHBondContact O-N 3.41Å; A83-R87 VanDerWaalsContact O-N 3.13Å
84L98.8Very high98.6Very high40 Ų4052.6 Ų52.621%0.20925%0.25CC..Hα-helixtrans-64.5-41.7170177.457.9000111.3F6 Q80 M81 F82 R87 L88 L125F6-L84 HydrophobicContact CB-CD2 4.13Å; F6-L84 HydrophobicContact CG-CD2 4.49Å; Q80-L84 PolarHBondContact O-N 2.95Å; M81-L84 HydrophobicContact CE-CD2 3.94Å; M81-L84 WeakPolarHBondContact O-CB 3.35Å; M81-L84 PolarHBondContact O-N 3.2Å; F82-L84 VanDerWaalsContact C-N 3.26Å; F82-L84 PolarHBondContact O-N 3.39Å; L84-R87 PolarHBondContact O-N 3.02Å; L84-L88 HydrophobicContact CG-CD1 4.47Å; L84-L88 WeakPolarHBondContact O-CG 3.43Å; L84-L88 PolarHBondContact O-N 2.86Å; L84-L125 HydrophobicContact CB-CD1 4.43Å; L84-L125 HydrophobicContact CD2-CD1 3.68Å; L84-L125 HydrophobicContact CG-CD1 3.79Å
85G98.8Very high98.6Very high0 Ų056.4 Ų56.40%027%0.269CS..Hα-helixtrans-56.3-47.3171.800000112.9M81 F82 R87 L88 R89 L125 G128 L129M81-G85 PolarHBondContact O-N 3.26Å; F82-G85 CarbonylContact O-C 3.44Å; F82-G85 VanDerWaalsContact O-CA 3.28Å; F82-G85 WeakPolarHBondContact O-CA 3.37Å; F82-G85 PolarHBondContact O-N 3.04Å; G85-R87 VanDerWaalsContact C-N 3.33Å; G85-R87 PolarHBondContact O-N 3.49Å; G85-L88 CarbonylContact O-C 3.47Å; G85-L88 WeakPolarHBondContact O-CB 3.3Å; G85-L88 PolarHBondContact O-N 2.83Å; G85-L88 VanDerWaalsContact O-N 3.09Å; G85-R89 PolarHBondContact O-N 3.48Å; G85-L125 VanDerWaalsContact CA-O 3.3Å; G85-L125 WeakPolarHBondContact CA-O 3.2Å; G85-G128 VanDerWaalsContact C-C 3.47Å; G85-L129 WeakPolarHBondContact O-CA 3.39Å
86E98.8Very high98.5Very high89 Ų8957.7 Ų57.742%0.41628%0.279SS..Hα-helixtrans-60.5-41177.8-67.8-177.1121.800112.4F82 A83 L88 R89 K90F82-E86 HydrophobicContact CD1-CG 4.06Å; F82-E86 HydrophobicContact CE1-CG 3.73Å; F82-E86 WeakPolarHBondContact CE1-OE1 3.39Å; F82-E86 HydrophobicContact CZ-CG 4.35Å; F82-E86 PolarHBondContact O-N 3.45Å; A83-E86 PolarHBondContact O-N 3.12Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 3.18Å; E86-R89 WeakPolarHBondContact O-CB 3.22Å; E86-R89 PolarHBondContact O-N 2.9Å; E86-K90 PolarHBondContact O-N 3Å
87R98.8Very high98.4Very high148 Ų14859.3 Ų59.356%0.55829%0.291SS*.Hα-helixtrans-63.4-39174.2-71.3-172.2-62.3-110.8-1.2112.3A83 L84 G85 R89 K90 N91A83-R87 WeakPolarHBondContact O-CG 3.47Å; A83-R87 PolarHBondContact O-N 3.41Å; A83-R87 VanDerWaalsContact O-N 3.13Å; L84-R87 PolarHBondContact O-N 3.02Å; G85-R87 VanDerWaalsContact C-N 3.33Å; G85-R87 PolarHBondContact O-N 3.49Å; R87-R89 VanDerWaalsContact C-N 3.34Å; R87-K90 PolarHBondContact O-N 3.09Å; R87-N91 PolarHBondContact O-N 2.9Å; R87-N91 PolarHBondContact O-ND2 2.68Å
88L98.6Very high98.3Very high19 Ų1964.2 Ų64.210%0.09931%0.312CS..Hα-helixtrans-67.5-36.7175.5-68172.6000111.4V4 L84 G85 E86 N91 Y92 L125 L129V4-L88 HydrophobicContact CG1-CD1 4.3Å; V4-L88 HydrophobicContact CG2-CD2 4.24Å; L84-L88 HydrophobicContact CG-CD1 4.47Å; L84-L88 WeakPolarHBondContact O-CG 3.43Å; L84-L88 PolarHBondContact O-N 2.86Å; G85-L88 CarbonylContact O-C 3.47Å; G85-L88 WeakPolarHBondContact O-CB 3.3Å; G85-L88 PolarHBondContact O-N 2.83Å; G85-L88 VanDerWaalsContact O-N 3.09Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 3.18Å; L88-N91 PolarHBondContact O-N 2.77Å; L88-Y92 HydrophobicContact CB-CD2 4.34Å; L88-Y92 HydrophobicContact CD2-CD2 4.05Å; L88-Y92 HydrophobicContact CD2-CE2 3.69Å; L88-Y92 WeakPolarHBondContact O-CB 3.4Å; L88-Y92 WeakPolarHBondContact O-CD2 3.41Å; L88-Y92 PolarHBondContact O-N 3.12Å; L88-L125 HydrophobicContact CD1-CD1 4Å; L88-L125 HydrophobicContact CD1-CD2 3.95Å; L88-L125 HydrophobicContact CD1-CG 4.24Å; L88-L129 HydrophobicContact CB-CD1 3.85Å
89R98.6Very high98.3Very high43 Ų4364.9 Ų64.916%0.16232%0.316CS..Hα-helixtrans-60.2-48173.9-175.3-179.3-178.180.4-0.2110.9G85 E86 R87 N91 Y92 V93 E94 P101 L129G85-R89 PolarHBondContact O-N 3.48Å; E86-R89 WeakPolarHBondContact O-CB 3.22Å; E86-R89 PolarHBondContact O-N 2.9Å; R87-R89 VanDerWaalsContact C-N 3.34Å; R89-N91 PolarHBondContact O-N 3.26Å; R89-Y92 PolarHBondContact O-N 2.61Å; R89-V93 HydrophobicContact CG-CB 3.9Å; R89-V93 HydrophobicContact CG-CG1 4.37Å; R89-V93 HydrophobicContact CG-CG2 4.08Å; R89-V93 WeakPolarHBondContact O-CA 3.3Å; R89-V93 WeakPolarHBondContact O-CB 3.38Å; R89-V93 PolarHBondContact O-N 2.87Å; R89-E94 IonicContact NE-OE1 4Å; R89-E94 PolarHBondContact O-N 3.07Å; R89-E94 VanDerWaalsContact O-N 3.16Å; R89-P101 PolarHBondContact NH1-O 3.1Å; R89-L129 HydrophobicContact CB-CD1 3.99Å; R89-L129 WeakPolarHBondContact CB-O 3.41Å; R89-L129 WeakPolarHBondContact CD-O 3.15Å; R89-L129 WeakPolarHBondContact CG-O 3.46Å; R89-L129 VanDerWaalsContact N-CD1 3.31Å; R89-L129 PolarHBondContact NH1-O 3.3Å
90K98.6Very high98.2Very high90 Ų9062.6 Ų62.639%0.39131%0.31SS..Iπ-helixtrans-53.2-47.8178.1-176.252.2176.71600111.1E86 R87 E94 D95E86-K90 PolarHBondContact O-N 3Å; R87-K90 PolarHBondContact O-N 3.09Å; K90-E94 HydrophobicContact CD-CB 4.27Å; K90-E94 WeakPolarHBondContact CD-OE2 3.39Å; K90-E94 IonicContact NZ-OE2 2.87Å; K90-E94 PolarHBondContact NZ-OE2 2.76Å; K90-E94 VanDerWaalsContact NZ-OE2 3.15Å; K90-D95 WeakPolarHBondContact CE-OD1 3.16Å; K90-D95 WeakPolarHBondContact CE-OD2 3.32Å; K90-D95 IonicContact NZ-OD1 3.8Å; K90-D95 PolarHBondContact NZ-OD1 3.24Å; K90-D95 IonicContact NZ-OD2 2.82Å; K90-D95 WeakPolarHBondContact O-CB 3.2Å; K90-D95 VanDerWaalsContact O-CG 3.26Å; K90-D95 PolarHBondContact O-N 3.28Å
91N98.1Very high98.2Very high75 Ų7561.7 Ų61.740%0.40131%0.312SS..Iπ-helixtrans-72.7-43.9-177.7-64-14.7000113.9R87 L88 R89 I96R87-N91 PolarHBondContact O-N 2.9Å; R87-N91 PolarHBondContact O-ND2 2.68Å; L88-N91 PolarHBondContact O-N 2.77Å; R89-N91 PolarHBondContact O-N 3.26Å; N91-I96 VanDerWaalsContact O-CB 3.31Å; N91-I96 WeakPolarHBondContact O-CB 3.38Å; N91-I96 PolarHBondContact O-N 2.86Å; N91-I96 VanDerWaalsContact O-N 3.16Å
92Y98.4Very high98.1Very high64 Ų6463 Ų6325%0.25132%0.32SS..Iπ-helixtrans-112-3.6-164.5-60.8-59.7000115.4V2 L88 R89 I96 F98 L99V2-Y92 HydrophobicContact CG1-CE1 4.21Å; V2-Y92 HydrophobicContact CG1-CE2 4.22Å; V2-Y92 HydrophobicContact CG2-CE1 3.89Å; L88-Y92 HydrophobicContact CB-CD2 4.34Å; L88-Y92 HydrophobicContact CD2-CD2 4.05Å; L88-Y92 HydrophobicContact CD2-CE2 3.69Å; L88-Y92 WeakPolarHBondContact O-CB 3.4Å; L88-Y92 WeakPolarHBondContact O-CD2 3.41Å; L88-Y92 PolarHBondContact O-N 3.12Å; R89-Y92 PolarHBondContact O-N 2.61Å; Y92-I96 CarbonylContact C-O 2.87Å; Y92-I96 VanDerWaalsContact CA-O 3.3Å; Y92-I96 WeakPolarHBondContact CA-O 3.38Å; Y92-F98 HydrophobicContact CD1-CD1 4.36Å; Y92-F98 PolarHBondContact O-N 2.82Å; Y92-F98 VanDerWaalsContact O-N 3.13Å; Y92-L99 PolarHBondContact O-N 3.29Å
93V98.2Very high98.1Very high16 Ų1662.1 Ų62.110%0.09732%0.317CS..Iπ-helixtrans-116.7-45.3172.6176.20000110.3R89 I96 L99 P101 L129R89-V93 HydrophobicContact CG-CB 3.9Å; R89-V93 HydrophobicContact CG-CG1 4.37Å; R89-V93 HydrophobicContact CG-CG2 4.08Å; R89-V93 WeakPolarHBondContact O-CA 3.3Å; R89-V93 WeakPolarHBondContact O-CB 3.38Å; R89-V93 PolarHBondContact O-N 2.87Å; V93-I96 PolarHBondContact N-O 3.17Å; V93-L99 HydrophobicContact CG2-CB 4.02Å; V93-P101 HydrophobicContact CG1-CB 4.02Å; V93-P101 HydrophobicContact CG1-CG 4.07Å; V93-L129 HydrophobicContact CG2-CD1 4.44Å
94E98.2Very high98.1Very high105 Ų10562.1 Ų62.149%0.49131%0.312SS..Iπ-helixtrans-91.4-58.1-172-61.8175-162.800113.2R89 K90R89-E94 IonicContact NE-OE1 4Å; R89-E94 PolarHBondContact O-N 3.07Å; R89-E94 VanDerWaalsContact O-N 3.16Å; K90-E94 HydrophobicContact CD-CB 4.27Å; K90-E94 WeakPolarHBondContact CD-OE2 3.39Å; K90-E94 IonicContact NZ-OE2 2.87Å; K90-E94 PolarHBondContact NZ-OE2 2.76Å; K90-E94 VanDerWaalsContact NZ-OE2 3.15Å
95D98.1Very high98Very high94 Ų9462.9 Ų62.950%0.50332%0.319SS..Iπ-helixtrans-77.9-39.2-173.8-65.9-15.9000111.4K90K90-D95 WeakPolarHBondContact CE-OD1 3.16Å; K90-D95 WeakPolarHBondContact CE-OD2 3.32Å; K90-D95 IonicContact NZ-OD1 3.8Å; K90-D95 PolarHBondContact NZ-OD1 3.24Å; K90-D95 IonicContact NZ-OD2 2.82Å; K90-D95 WeakPolarHBondContact O-CB 3.2Å; K90-D95 VanDerWaalsContact O-CG 3.26Å; K90-D95 PolarHBondContact O-N 3.28Å
96I96.2Very high97.9Very high100 Ų10071.1 Ų71.151%0.51336%0.358SS..SBendtrans-123.7112.7171.4-52.1172.1000106N91 Y92 V93 F98N91-I96 VanDerWaalsContact O-CB 3.31Å; N91-I96 WeakPolarHBondContact O-CB 3.38Å; N91-I96 PolarHBondContact O-N 2.86Å; N91-I96 VanDerWaalsContact O-N 3.16Å; Y92-I96 CarbonylContact C-O 2.87Å; Y92-I96 VanDerWaalsContact CA-O 3.3Å; Y92-I96 WeakPolarHBondContact CA-O 3.38Å; V93-I96 PolarHBondContact N-O 3.17Å; I96-F98 HydrophobicContact CG2-CB 4.15Å; I96-F98 PolarHBondContact O-N 2.91Å
97P95.7Very high97.8Very high114 Ų11470.4 Ų70.474%0.7435%0.354SS*.  trans-76.660.1-179.132.8-36000110.6
98F97.6Very high97.8Very high102 Ų10264.8 Ų64.845%0.44734%0.336SS..  trans-82.1-32.8-179.3177-106.2000111.7V2 Y92 I96V2-F98 HydrophobicContact CB-CE1 4.34Å; V2-F98 HydrophobicContact CG2-CD1 4.44Å; V2-F98 HydrophobicContact CG2-CE1 4.08Å; V2-F98 HydrophobicContact CG2-CZ 4.42Å; Y92-F98 HydrophobicContact CD1-CD1 4.36Å; Y92-F98 PolarHBondContact O-N 2.82Å; Y92-F98 VanDerWaalsContact O-N 3.13Å; I96-F98 HydrophobicContact CG2-CB 4.15Å; I96-F98 PolarHBondContact O-N 2.91Å
99L97.9Very high97.8Very high24 Ų2471 Ų7113%0.12636%0.363CS..SBendtrans-115150.5175.5-65.8173.2000110.7Y92 V93 E107 V108 L129 F130Y92-L99 PolarHBondContact O-N 3.29Å; V93-L99 HydrophobicContact CG2-CB 4.02Å; L99-E107 HydrophobicContact CD2-CB 4.07Å; L99-V108 HydrophobicContact CD2-CG2 4.04Å; L99-L129 HydrophobicContact CD1-CD1 4.48Å; L99-L129 HydrophobicContact CD1-CD2 4.29Å; L99-F130 HydrophobicContact CD1-CZ 4.24Å
100S98.1Very high97.8Very high38 Ų3869.6 Ų69.627%0.26636%0.358SS..  trans-62.6147.1168.7-710000111.3T102 E107S100-T102 PolarHBondContact O-N 3.5Å; S100-T102 VanDerWaalsContact O-N 3.17Å; S100-E107 WeakPolarHBondContact CB-OE1 3.35Å; S100-E107 WeakPolarHBondContact CB-OE2 3.14Å; S100-E107 PolarHBondContact N-OE2 3.07Å; S100-E107 PolarHBondContact OG-OE1 3.02Å; S100-E107 PolarHBondContact OG-OE2 3.47Å
101P97.6Very high97.7Very high75 Ų7571.8 Ų71.849%0.48736%0.364SS..SBendtrans-62.3-22.8178-23.934000114.6R89 V93R89-P101 PolarHBondContact NH1-O 3.1Å; V93-P101 HydrophobicContact CG1-CB 4.02Å; V93-P101 HydrophobicContact CG1-CG 4.07Å
102T97.9Very high97.7Very high34 Ų3469 Ų6921%0.20935%0.351CS..SBendtrans-108.4142.9178.1-58.60000109.3S100 N104 Q133 E135S100-T102 PolarHBondContact O-N 3.5Å; S100-T102 VanDerWaalsContact O-N 3.17Å; T102-N104 PolarHBondContact O-N 2.73Å; T102-Q133 HydrophobicContact CG2-CB 3.88Å; T102-E135 HydrophobicContact CG2-CB 4.38Å; T102-E135 HydrophobicContact CG2-CG 3.73Å
103F98.5Very high97.7Very high2 Ų269 Ų691%0.00936%0.357CS..BIsolated β-bridgetrans-59.2123178.6174.2-92.4000111.3F38 P105 V108 I110 F130 Q133 K134 E135 I138F38-F103 HydrophobicContact CZ-CB 4.32Å; F103-P105 HydrophobicContact CE1-CB 4.04Å; F103-P105 HydrophobicContact CZ-CB 4.36Å; F103-V108 HydrophobicContact CD2-CB 4.44Å; F103-V108 HydrophobicContact CD2-CG2 4.47Å; F103-V108 HydrophobicContact CE2-CB 3.8Å; F103-V108 HydrophobicContact CE2-CG1 4.1Å; F103-V108 HydrophobicContact CE2-CG2 4.3Å; F103-I110 HydrophobicContact CE2-CD1 3.83Å; F103-I110 HydrophobicContact CZ-CD1 4.05Å; F103-F130 HydrophobicContact CB-CB 4.09Å; F103-F130 HydrophobicContact CB-CD1 4.08Å; F103-F130 HydrophobicContact CB-CD2 3.85Å; F103-F130 HydrophobicContact CB-CE2 4.33Å; F103-F130 HydrophobicContact CB-CG 3.72Å; F103-F130 AromaticContact CD2-CD2 3.83Å; F103-F130 HydrophobicContact CD2-CD2 3.83Å; F103-F130 AromaticContact CD2-CE2 3.62Å; F103-F130 HydrophobicContact CD2-CE2 3.62Å; F103-F130 HydrophobicContact CD2-CZ 4.15Å; F103-F130 HydrophobicContact CG-CD2 4.34Å; F103-F130 HydrophobicContact CG-CE2 4.47Å; F103-Q133 WeakPolarHBondContact CB-O 3.36Å; F103-Q133 PolarHBondContact N-O 3.12Å; F103-K134 HydrophobicContact CB-CB 3.94Å; F103-K134 HydrophobicContact CD1-CB 4.19Å; F103-K134 HydrophobicContact CG-CB 4.5Å; F103-E135 PolarHBondContact O-N 2.85Å; F103-I138 HydrophobicContact CD1-CD1 4.39Å; F103-I138 HydrophobicContact CD1-CG1 3.64Å; F103-I138 HydrophobicContact CD2-CG1 4.32Å; F103-I138 HydrophobicContact CE1-CB 4.37Å; F103-I138 HydrophobicContact CE1-CG1 3.55Å; F103-I138 HydrophobicContact CE2-CG1 4.23Å; F103-I138 HydrophobicContact CG-CD1 4.39Å; F103-I138 HydrophobicContact CG-CG1 4.05Å; F103-I138 HydrophobicContact CZ-CB 4.44Å; F103-I138 HydrophobicContact CZ-CG1 3.87Å
104N97.7Very high97.6Very high33 Ų3368.6 Ų68.618%0.17636%0.355CS..  trans-118.8117.8175.5-179.1-6.2000110.1T102 Q106 E107 V108T102-N104 PolarHBondContact O-N 2.73Å; N104-Q106 PolarHBondContact O-N 3.19Å; N104-Q106 VanDerWaalsContact O-N 3.12Å; N104-Q106 WeakPolarHBondContact OD1-CB 3.19Å; N104-Q106 PolarHBondContact OD1-N 2.77Å; N104-E107 HydrophobicContact CB-CB 4.33Å; N104-E107 HydrophobicContact CB-CG 4.11Å; N104-E107 PolarHBondContact ND2-OE1 2.96Å; N104-E107 PolarHBondContact O-N 2.82Å; N104-V108 PolarHBondContact O-N 3.5Å
105P96.8Very high97.6Very high55 Ų5564.4 Ų64.436%0.35734%0.336SS..THydrogen-bonded Turntrans-65.5-13.5-179.226.9-34.7000114.2F103F103-P105 HydrophobicContact CE1-CB 4.04Å; F103-P105 HydrophobicContact CZ-CB 4.36Å
106Q97.3Very high97.5Very high173 Ų17364 Ų6481%0.80833%0.329SS*.THydrogen-bonded Turntrans-81.3-18.7174.2-58.7-59.7-33.400113N104N104-Q106 PolarHBondContact O-N 3.19Å; N104-Q106 VanDerWaalsContact O-N 3.12Å; N104-Q106 WeakPolarHBondContact OD1-CB 3.19Å; N104-Q106 PolarHBondContact OD1-N 2.77Å
107E97.7Very high97.6Very high74 Ų7460 Ų6035%0.34631%0.308SS..THydrogen-bonded Turntrans-99.8-26-177.7-67.7170.7-157.200112.5L99 S100 N104L99-E107 HydrophobicContact CD2-CB 4.07Å; S100-E107 WeakPolarHBondContact CB-OE1 3.35Å; S100-E107 WeakPolarHBondContact CB-OE2 3.14Å; S100-E107 PolarHBondContact N-OE2 3.07Å; S100-E107 PolarHBondContact OG-OE1 3.02Å; S100-E107 PolarHBondContact OG-OE2 3.47Å; N104-E107 HydrophobicContact CB-CB 4.33Å; N104-E107 HydrophobicContact CB-CG 4.11Å; N104-E107 PolarHBondContact ND2-OE1 2.96Å; N104-E107 PolarHBondContact O-N 2.82Å
108V97.9Very high97.7Very high30 Ų3056 Ų5618%0.18228%0.28CS..  trans-126.7115.2-169.6-170.60000110.9L99 F103 N104 I110 F130L99-V108 HydrophobicContact CD2-CG2 4.04Å; F103-V108 HydrophobicContact CD2-CB 4.44Å; F103-V108 HydrophobicContact CD2-CG2 4.47Å; F103-V108 HydrophobicContact CE2-CB 3.8Å; F103-V108 HydrophobicContact CE2-CG1 4.1Å; F103-V108 HydrophobicContact CE2-CG2 4.3Å; N104-V108 PolarHBondContact O-N 3.5Å; V108-I110 HydrophobicContact CG1-CD1 4.39Å; V108-I110 HydrophobicContact CG1-CG1 3.85Å; V108-F130 HydrophobicContact CG2-CE2 4.29Å; V108-F130 HydrophobicContact CG2-CZ 3.73Å
109F97.9Very high97.8Very high150 Ų15051.1 Ų51.166%0.65826%0.259SS*.  trans-100132168.9179.8-105.6000110.5R111 H141F109-R111 HydrophobicContact CD1-CG 4.34Å; F109-R111 HydrophobicContact CE1-CG 3.49Å; F109-R111 VanDerWaalsContact CE1-CG 3.49Å; F109-R111 HydrophobicContact CZ-CG 3.85Å; F109-H141 AromaticContact CE2-CD2 3.34Å; F109-H141 WeakPolarHBondContact CE2-CD2 3.42Å; F109-H141 AromaticContact CE2-NE2 3.73Å; F109-H141 AromaticContact CZ-CD2 3.88Å
110I98.5Very high97.8Very high13 Ų1350.9 Ų50.97%0.06726%0.257CS..EExtended strand (participates in β ladder)trans-122.4127.9-170.4-52.4156.7000110.6F103 V108 T122 L126 I138 I140 H141F103-I110 HydrophobicContact CE2-CD1 3.83Å; F103-I110 HydrophobicContact CZ-CD1 4.05Å; V108-I110 HydrophobicContact CG1-CD1 4.39Å; V108-I110 HydrophobicContact CG1-CG1 3.85Å; I110-T122 HydrophobicContact CG2-CG2 3.49Å; I110-T122 VanDerWaalsContact CG2-CG2 3.49Å; I110-L126 HydrophobicContact CD1-CD1 3.57Å; I110-L126 HydrophobicContact CD1-CD2 4.16Å; I110-L126 HydrophobicContact CG1-CD1 4.39Å; I110-I138 HydrophobicContact CD1-CG2 3.68Å; I110-I140 HydrophobicContact CG2-CB 4.37Å; I110-I140 HydrophobicContact CG2-CG1 3.92Å; I110-I140 HydrophobicContact CG2-CG2 4.18Å; I110-H141 PolarHBondContact O-N 3.09Å
111R98.1Very high97.8Very high136 Ų13649.1 Ų49.151%0.51325%0.245SC..EExtended strand (participates in β ladder)trans-126.5148.6170.7-72.4-172.968.8176.60.4111.4F109 H141F109-R111 HydrophobicContact CD1-CG 4.34Å; F109-R111 HydrophobicContact CE1-CG 3.49Å; F109-R111 VanDerWaalsContact CE1-CG 3.49Å; F109-R111 HydrophobicContact CZ-CG 3.85Å; R111-H141 VanDerWaalsContact CA-O 3.3Å; R111-H141 WeakPolarHBondContact CA-O 3.16Å; R111-H141 HydrophobicContact CG-CB 4.17Å
112S98.2Very high97.9Very high17 Ų1745.8 Ų45.812%0.11922%0.223CC..  trans-148.7154.9170.1-173.40000108.5N118 H141 T142S112-N118 WeakPolarHBondContact OG-CB 3.45Å; S112-H141 PolarHBondContact N-O 3Å; S112-H141 VanDerWaalsContact N-O 3.07Å; S112-T142 WeakPolarHBondContact O-CA 3.1Å; S112-T142 VanDerWaalsContact O-CB 3.32Å; S112-T142 WeakPolarHBondContact O-CB 3.4Å; S112-T142 PolarHBondContact O-OG1 2.71Å
113T97.3Very high97.9Very high63 Ų6345 Ų4539%0.38722%0.216SC..  trans-67151.4164580000109.8I115 N118 T142T113-I115 PolarHBondContact O-N 2.96Å; T113-N118 PolarHBondContact OG1-ND2 2.74Å; T113-T142 VanDerWaalsContact C-OG1 3.3Å
114N96.9Very high98Very high9 Ų944.9 Ų44.95%0.04822%0.216CC..SBendtrans-76.468-179.7-165.815000112K50 P51 Y52 S53 T142 D143K50-N114 WeakPolarHBondContact CE-OD1 3.49Å; P51-N114 PolarHBondContact O-ND2 2.86Å; Y52-N114 VanDerWaalsContact C-ND2 3.35Å; Y52-N114 PolarHBondContact O-ND2 3.49Å; S53-N114 WeakPolarHBondContact CB-O 3.41Å; S53-N114 PolarHBondContact OG-O 3.11Å; N114-T142 WeakPolarHBondContact CA-OG1 2.95Å; N114-T142 HydrophobicContact CB-CG2 3.99Å; N114-T142 WeakPolarHBondContact CB-OG1 3.48Å; N114-T142 PolarHBondContact N-OG1 2.96Å; N114-D143 VanDerWaalsContact CB-O 3.23Å; N114-D143 WeakPolarHBondContact CB-O 3.28Å
115I97.4Very high98Very high17 Ų1743.8 Ų43.89%0.08721%0.21CC..  trans-134.3126.7175-50.1-180000106.7Y55 D56 Y59 T113 R117 N118 L119Y55-I115 HydrophobicContact CD2-CD1 4.25Å; Y55-I115 HydrophobicContact CD2-CG1 4.2Å; Y55-I115 HydrophobicContact CG-CD1 4.3Å; Y55-I115 HydrophobicContact CG-CG1 4.44Å; D56-I115 WeakPolarHBondContact OD1-CG2 3.37Å; Y59-I115 HydrophobicContact CE2-CG2 4.35Å; T113-I115 PolarHBondContact O-N 2.96Å; I115-R117 VanDerWaalsContact C-N 3.31Å; I115-R117 HydrophobicContact CG2-CG 3.74Å; I115-R117 PolarHBondContact O-N 3.25Å; I115-N118 HydrophobicContact CB-CB 4.44Å; I115-N118 WeakPolarHBondContact O-CA 3.3Å; I115-N118 WeakPolarHBondContact O-CB 3.39Å; I115-N118 PolarHBondContact O-N 2.98Å; I115-L119 PolarHBondContact O-N 3Å; I115-L119 VanDerWaalsContact O-N 3.12Å
116F97Very high98.1Very high85 Ų8541.5 Ų41.537%0.37319%0.194SC..Hα-helixtrans-52.9-46.5-169.9-174.1-109.4000112.8D56 N118 L119 E120D56-F116 VanDerWaalsContact CG-N 3.33Å; D56-F116 PolarHBondContact OD1-N 3.17Å; D56-F116 PolarHBondContact OD2-N 3.25Å; F116-N118 PolarHBondContact O-N 3.17Å; F116-N118 VanDerWaalsContact O-N 3.17Å; F116-L119 WeakPolarHBondContact O-CB 3.17Å; F116-L119 PolarHBondContact O-N 2.67Å; F116-E120 HydrophobicContact CD1-CG 4.02Å; F116-E120 HydrophobicContact CD2-CG 4.32Å; F116-E120 HydrophobicContact CE1-CG 3.6Å; F116-E120 HydrophobicContact CE2-CG 3.92Å; F116-E120 HydrophobicContact CG-CG 4.36Å; F116-E120 HydrophobicContact CZ-CG 3.54Å; F116-E120 WeakPolarHBondContact O-CG 3.3Å; F116-E120 PolarHBondContact O-N 2.97Å
117R98Very high98.2Very high16 Ų1633.2 Ų33.26%0.0616%0.156CC..Hα-helixtrans-58.5-29.8176.255.7160.6-175.8-77.3-0114.6R11 G71 L73 I115 S121R11-R117 VanDerWaalsContact CD-CD 3.41Å; G71-R117 WeakPolarHBondContact O-CD 3.29Å; G71-R117 PolarHBondContact O-NH1 2.89Å; L73-R117 HydrophobicContact CB-CB 3.91Å; I115-R117 VanDerWaalsContact C-N 3.31Å; I115-R117 HydrophobicContact CG2-CG 3.74Å; I115-R117 PolarHBondContact O-N 3.25Å; R117-S121 VanDerWaalsContact O-CB 3.31Å; R117-S121 WeakPolarHBondContact O-CB 3.43Å; R117-S121 PolarHBondContact O-N 3.17Å; R117-S121 PolarHBondContact O-OG 2.78Å
118N98.4Very high98.2Very high30 Ų3029.7 Ų29.716%0.1614%0.139CC..Hα-helixtrans-79.4-42.3179.6-67.510.6000109.4H8 S112 T113 I115 F116 E120 S121 T122H8-N118 WeakPolarHBondContact CB-OD1 3.31Å; H8-N118 PolarHBondContact CD2-OD1 3.16Å; S112-N118 WeakPolarHBondContact OG-CB 3.45Å; T113-N118 PolarHBondContact OG1-ND2 2.74Å; I115-N118 HydrophobicContact CB-CB 4.44Å; I115-N118 WeakPolarHBondContact O-CA 3.3Å; I115-N118 WeakPolarHBondContact O-CB 3.39Å; I115-N118 PolarHBondContact O-N 2.98Å; F116-N118 PolarHBondContact O-N 3.17Å; F116-N118 VanDerWaalsContact O-N 3.17Å; N118-E120 PolarHBondContact O-N 3.17Å; N118-S121 WeakPolarHBondContact O-CB 3.23Å; N118-S121 PolarHBondContact O-N 3.17Å; N118-T122 PolarHBondContact O-N 3.48Å; N118-T122 PolarHBondContact O-OG1 2.57Å; N118-T122 VanDerWaalsContact O-OG1 3.09Å
119L98.4Very high98.3Very high0 Ų028.9 Ų28.90%013%0.134CC..Hα-helixtrans-57.7-47.7172.1-61.3170.7000111.5Y40 V42 I115 F116 S121 T122 R123 I140Y40-L119 HydrophobicContact CE2-CB 4.23Å; V42-L119 HydrophobicContact CG1-CD2 4.2Å; V42-L119 HydrophobicContact CG2-CD1 4.12Å; V42-L119 HydrophobicContact CG2-CD2 4.07Å; I115-L119 PolarHBondContact O-N 3Å; I115-L119 VanDerWaalsContact O-N 3.12Å; F116-L119 WeakPolarHBondContact O-CB 3.17Å; F116-L119 PolarHBondContact O-N 2.67Å; L119-S121 VanDerWaalsContact C-N 3.34Å; L119-S121 PolarHBondContact O-N 3.06Å; L119-T122 WeakPolarHBondContact O-CB 3.3Å; L119-T122 PolarHBondContact O-N 2.77Å; L119-R123 PolarHBondContact O-N 3.48Å; L119-I140 HydrophobicContact CD2-CB 4.43Å; L119-I140 HydrophobicContact CD2-CG2 3.74Å
120E98.5Very high98.3Very high19 Ų1921.7 Ų21.79%0.08910%0.102CC..Hα-helixtrans-66.5-34.8177.9-69.6-57.9112.300112.7Y40 L73 F116 N118 T122 R123 C124Y40-E120 WeakPolarHBondContact CE1-OE1 3.26Å; Y40-E120 PolarHBondContact OH-OE1 3.05Å; L73-E120 HydrophobicContact CD2-CB 3.62Å; F116-E120 HydrophobicContact CD1-CG 4.02Å; F116-E120 HydrophobicContact CD2-CG 4.32Å; F116-E120 HydrophobicContact CE1-CG 3.6Å; F116-E120 HydrophobicContact CE2-CG 3.92Å; F116-E120 HydrophobicContact CG-CG 4.36Å; F116-E120 HydrophobicContact CZ-CG 3.54Å; F116-E120 WeakPolarHBondContact O-CG 3.3Å; F116-E120 PolarHBondContact O-N 2.97Å; N118-E120 PolarHBondContact O-N 3.17Å; E120-T122 VanDerWaalsContact C-N 3.35Å; E120-R123 PolarHBondContact O-N 3.03Å; E120-R123 IonicContact OE1-NE 3.82Å; E120-R123 IonicContact OE2-CZ 3.9Å; E120-R123 IonicContact OE2-NE 3.15Å; E120-R123 PolarHBondContact OE2-NE 2.59Å; E120-R123 IonicContact OE2-NH2 2.7Å; E120-R123 PolarHBondContact OE2-NH2 2.98Å; E120-C124 PolarHBondContact O-N 3.13Å; E120-C124 PolarHBondContact O-SG 2.91Å
121S98.9Very high98.3Very high0 Ų024.5 Ų24.50%012%0.115CC..Hα-helixtrans-64.1-42.3173.1-66.70000111.4H8 G9 L73 M81 R117 N118 L119 C124 L125H8-S121 VanDerWaalsContact CA-OG 3.28Å; H8-S121 WeakPolarHBondContact CA-OG 3.33Å; H8-S121 WeakPolarHBondContact CB-OG 3.3Å; G9-S121 PolarHBondContact N-OG 2.93Å; G9-S121 VanDerWaalsContact N-OG 3.1Å; L73-S121 WeakPolarHBondContact CD1-OG 3.5Å; M81-S121 WeakPolarHBondContact CB-O 3.49Å; R117-S121 VanDerWaalsContact O-CB 3.31Å; R117-S121 WeakPolarHBondContact O-CB 3.43Å; R117-S121 PolarHBondContact O-N 3.17Å; R117-S121 PolarHBondContact O-OG 2.78Å; N118-S121 WeakPolarHBondContact O-CB 3.23Å; N118-S121 PolarHBondContact O-N 3.17Å; L119-S121 VanDerWaalsContact C-N 3.34Å; L119-S121 PolarHBondContact O-N 3.06Å; S121-C124 PolarHBondContact O-N 3.18Å; S121-L125 PolarHBondContact O-N 3.35Å
122T98.8Very high98.1Very high6 Ų620.1 Ų20.14%0.03711%0.105CC..Hα-helixtrans-63.1-44.9175.2-60.60000111.4F6 I110 N118 L119 E120 C124 L125 L126 I140F6-T122 HydrophobicContact CZ-CG2 4.41Å; F6-T122 WeakPolarHBondContact CZ-OG1 3.38Å; I110-T122 HydrophobicContact CG2-CG2 3.49Å; I110-T122 VanDerWaalsContact CG2-CG2 3.49Å; N118-T122 PolarHBondContact O-N 3.48Å; N118-T122 PolarHBondContact O-OG1 2.57Å; N118-T122 VanDerWaalsContact O-OG1 3.09Å; L119-T122 WeakPolarHBondContact O-CB 3.3Å; L119-T122 PolarHBondContact O-N 2.77Å; E120-T122 VanDerWaalsContact C-N 3.35Å; T122-C124 PolarHBondContact O-N 2.87Å; T122-L125 PolarHBondContact O-N 2.93Å; T122-L126 HydrophobicContact CG2-CD1 4.03Å; T122-L126 HydrophobicContact CG2-CG 4.5Å; T122-L126 WeakPolarHBondContact O-CG 3.48Å; T122-L126 PolarHBondContact O-N 3.33Å; T122-I140 HydrophobicContact CG2-CD1 3.75Å; T122-I140 HydrophobicContact CG2-CG1 4.4Å
123R98.6Very high98Very high16 Ų1624.5 Ų24.56%0.0612%0.124CC..Hα-helixtrans-52.9-52.9172.9175-17559.280.2-2.7111.3T36 F38 Y40 L119 E120 L125 L126 A127T36-R123 PolarHBondContact O-NH1 3.33Å; T36-R123 PolarHBondContact OG1-NH1 2.89Å; T36-R123 VanDerWaalsContact OG1-NH1 3.12Å; F38-R123 HydrophobicContact CB-CG 4.14Å; F38-R123 WeakPolarHBondContact O-CD 3.27Å; F38-R123 VanDerWaalsContact O-CG 3.22Å; F38-R123 WeakPolarHBondContact O-CG 3.48Å; Y40-R123 HydrophobicContact CD1-CB 3.9Å; Y40-R123 HydrophobicContact CD1-CG 3.95Å; Y40-R123 HydrophobicContact CE1-CB 3.86Å; Y40-R123 HydrophobicContact CE1-CG 4.13Å; L119-R123 PolarHBondContact O-N 3.48Å; E120-R123 PolarHBondContact O-N 3.03Å; E120-R123 IonicContact OE1-NE 3.82Å; E120-R123 IonicContact OE2-CZ 3.9Å; E120-R123 IonicContact OE2-NE 3.15Å; E120-R123 PolarHBondContact OE2-NE 2.59Å; E120-R123 IonicContact OE2-NH2 2.7Å; E120-R123 PolarHBondContact OE2-NH2 2.98Å; R123-L125 VanDerWaalsContact C-N 3.31Å; R123-L125 PolarHBondContact O-N 2.76Å; R123-L126 PolarHBondContact O-N 3.23Å; R123-A127 WeakPolarHBondContact O-CB 3.48Å; R123-A127 PolarHBondContact O-N 3.07Å
124C98.8Very high97.9Very high0 Ų025.5 Ų25.50%012%0.123CC..Hα-helixtrans-63.3-37.6-176.5-64.80000112.1T36 M78 M81 F82 E120 S121 T122 A127 G128T36-C124 HydrophobicContact CG2-CB 4.48Å; M78-C124 VanDerWaalsContact CB-SG 3.59Å; M78-C124 WeakPolarHBondContact O-CB 3.44Å; M81-C124 HydrophobicContact CB-CB 3.65Å; F82-C124 VanDerWaalsContact CA-O 3.31Å; F82-C124 WeakPolarHBondContact CA-O 3.46Å; E120-C124 PolarHBondContact O-N 3.13Å; E120-C124 PolarHBondContact O-SG 2.91Å; S121-C124 PolarHBondContact O-N 3.18Å; T122-C124 PolarHBondContact O-N 2.87Å; C124-A127 WeakPolarHBondContact O-CB 2.92Å; C124-A127 PolarHBondContact O-N 3.07Å; C124-G128 PolarHBondContact O-N 3.44Å; C124-G128 VanDerWaalsContact O-N 3.16Å
125L98.9Very high97.8Very high10 Ų1032 Ų325%0.05215%0.152CC..Hα-helixtrans-63.3-45.9174.3-176.9150000111.9F6 M81 L84 G85 L88 S121 T122 R123 A127 G128 L129F6-L125 HydrophobicContact CD1-CD1 3.81Å; F6-L125 HydrophobicContact CD2-CD1 4.41Å; F6-L125 HydrophobicContact CE1-CD1 3.71Å; F6-L125 HydrophobicContact CE2-CD1 4.32Å; F6-L125 HydrophobicContact CG-CD1 4.17Å; F6-L125 HydrophobicContact CZ-CD1 3.98Å; M81-L125 HydrophobicContact CE-CB 4.01Å; M81-L125 HydrophobicContact CE-CD1 3.77Å; M81-L125 VanDerWaalsContact O-CA 3.31Å; M81-L125 WeakPolarHBondContact O-CA 3.16Å; L84-L125 HydrophobicContact CB-CD1 4.43Å; L84-L125 HydrophobicContact CD2-CD1 3.68Å; L84-L125 HydrophobicContact CG-CD1 3.79Å; G85-L125 VanDerWaalsContact CA-O 3.3Å; G85-L125 WeakPolarHBondContact CA-O 3.2Å; L88-L125 HydrophobicContact CD1-CD1 4Å; L88-L125 HydrophobicContact CD1-CD2 3.95Å; L88-L125 HydrophobicContact CD1-CG 4.24Å; S121-L125 PolarHBondContact O-N 3.35Å; T122-L125 PolarHBondContact O-N 2.93Å; R123-L125 VanDerWaalsContact C-N 3.31Å; R123-L125 PolarHBondContact O-N 2.76Å; L125-A127 VanDerWaalsContact C-N 3.28Å; L125-A127 PolarHBondContact O-N 2.84Å; L125-G128 PolarHBondContact O-N 2.94Å; L125-L129 WeakPolarHBondContact O-CB 3.23Å; L125-L129 PolarHBondContact O-N 3.3Å
126L98.7Very high97.6Very high7 Ų732 Ų324%0.03716%0.158CC..Hα-helixtrans-64.1-37.4178.7-68.2169.3000111.3F38 I110 T122 R123 G128 L129 F130 I138F38-L126 HydrophobicContact CD1-CB 3.87Å; F38-L126 HydrophobicContact CE1-CB 3.96Å; I110-L126 HydrophobicContact CD1-CD1 3.57Å; I110-L126 HydrophobicContact CD1-CD2 4.16Å; I110-L126 HydrophobicContact CG1-CD1 4.39Å; T122-L126 HydrophobicContact CG2-CD1 4.03Å; T122-L126 HydrophobicContact CG2-CG 4.5Å; T122-L126 WeakPolarHBondContact O-CG 3.48Å; T122-L126 PolarHBondContact O-N 3.33Å; R123-L126 PolarHBondContact O-N 3.23Å; L126-G128 VanDerWaalsContact C-N 3.33Å; L126-G128 PolarHBondContact O-N 3.2Å; L126-L129 PolarHBondContact O-N 2.72Å; L126-F130 HydrophobicContact CD2-CD2 4.24Å; L126-F130 HydrophobicContact CD2-CE2 3.93Å; L126-F130 PolarHBondContact O-N 3.15Å; L126-I138 HydrophobicContact CD1-CG2 3.7Å
127A98.7Very high97.5Very high0 Ų031.8 Ų31.80%016%0.164CC..Hα-helixtrans-58.6-43.5174.200000111.7T36 F38 F82 R123 C124 L125 Q131 C132T36-A127 VanDerWaalsContact O-CB 3.24Å; T36-A127 WeakPolarHBondContact O-CB 2.9Å; F38-A127 HydrophobicContact CB-CB 3.9Å; F38-A127 HydrophobicContact CD1-CB 4.27Å; F38-A127 HydrophobicContact CG-CB 4.36Å; F82-A127 HydrophobicContact CD2-CB 4.04Å; F82-A127 HydrophobicContact CE2-CB 4.23Å; R123-A127 WeakPolarHBondContact O-CB 3.48Å; R123-A127 PolarHBondContact O-N 3.07Å; C124-A127 WeakPolarHBondContact O-CB 2.92Å; C124-A127 PolarHBondContact O-N 3.07Å; L125-A127 VanDerWaalsContact C-N 3.28Å; L125-A127 PolarHBondContact O-N 2.84Å; A127-Q131 WeakPolarHBondContact O-CA 3.11Å; A127-Q131 PolarHBondContact O-N 2.97Å; A127-C132 PolarHBondContact O-N 2.82Å; A127-C132 VanDerWaalsContact O-N 3.15Å
128G98.7Very high97.6Very high0 Ų031.1 Ų31.10%016%0.162CC..Hα-helixtrans-72.4-37.1175.800000113.8F82 G85 C124 L125 L126 Q131F82-G128 VanDerWaalsContact CD2-CA 3.5Å; F82-G128 VanDerWaalsContact CE2-CA 3.41Å; G85-G128 VanDerWaalsContact C-C 3.47Å; C124-G128 PolarHBondContact O-N 3.44Å; C124-G128 VanDerWaalsContact O-N 3.16Å; L125-G128 PolarHBondContact O-N 2.94Å; L126-G128 VanDerWaalsContact C-N 3.33Å; L126-G128 PolarHBondContact O-N 3.2Å; G128-Q131 PolarHBondContact O-NE2 3.42Å
129L98.7Very high97.6Very high12 Ų1232.8 Ų32.86%0.06317%0.17CC..Hα-helixtrans-66.5-44.6179.9178.353.2000111.8G85 L88 R89 V93 L99 L125 L126G85-L129 WeakPolarHBondContact O-CA 3.39Å; L88-L129 HydrophobicContact CB-CD1 3.85Å; R89-L129 HydrophobicContact CB-CD1 3.99Å; R89-L129 WeakPolarHBondContact CB-O 3.41Å; R89-L129 WeakPolarHBondContact CD-O 3.15Å; R89-L129 WeakPolarHBondContact CG-O 3.46Å; R89-L129 VanDerWaalsContact N-CD1 3.31Å; R89-L129 PolarHBondContact NH1-O 3.3Å; V93-L129 HydrophobicContact CG2-CD1 4.44Å; L99-L129 HydrophobicContact CD1-CD1 4.48Å; L99-L129 HydrophobicContact CD1-CD2 4.29Å; L125-L129 WeakPolarHBondContact O-CB 3.23Å; L125-L129 PolarHBondContact O-N 3.3Å; L126-L129 PolarHBondContact O-N 2.72Å
130F98.6Very high97.6Very high0 Ų032.8 Ų32.80%017%0.17CC..Hα-helixtrans-1075.5-174.5-61.4-70.2000114F38 L99 F103 V108 L126 C132 Q133F38-F130 HydrophobicContact CE1-CB 4.39Å; F38-F130 HydrophobicContact CZ-CB 4.34Å; L99-F130 HydrophobicContact CD1-CZ 4.24Å; F103-F130 HydrophobicContact CB-CB 4.09Å; F103-F130 HydrophobicContact CB-CD1 4.08Å; F103-F130 HydrophobicContact CB-CD2 3.85Å; F103-F130 HydrophobicContact CB-CE2 4.33Å; F103-F130 HydrophobicContact CB-CG 3.72Å; F103-F130 AromaticContact CD2-CD2 3.83Å; F103-F130 HydrophobicContact CD2-CD2 3.83Å; F103-F130 AromaticContact CD2-CE2 3.62Å; F103-F130 HydrophobicContact CD2-CE2 3.62Å; F103-F130 HydrophobicContact CD2-CZ 4.15Å; F103-F130 HydrophobicContact CG-CD2 4.34Å; F103-F130 HydrophobicContact CG-CE2 4.47Å; V108-F130 HydrophobicContact CG2-CE2 4.29Å; V108-F130 HydrophobicContact CG2-CZ 3.73Å; L126-F130 HydrophobicContact CD2-CD2 4.24Å; L126-F130 HydrophobicContact CD2-CE2 3.93Å; L126-F130 PolarHBondContact O-N 3.15Å; F130-C132 PolarHBondContact O-N 3.23Å; F130-Q133 WeakPolarHBondContact O-CB 3.49Å; F130-Q133 PolarHBondContact O-N 3.34Å
131Q97.9Very high97.5Very high72 Ų7233.6 Ų33.634%0.33617%0.174SC..THydrogen-bonded Turntrans52.742178.6-59.9-67.1-51.900112.1A127 G128 Q133A127-Q131 WeakPolarHBondContact O-CA 3.11Å; A127-Q131 PolarHBondContact O-N 2.97Å; G128-Q131 PolarHBondContact O-NE2 3.42Å; Q131-Q133 PolarHBondContact O-N 3.35Å; Q131-Q133 VanDerWaalsContact O-N 3.1Å; Q131-Q133 PolarHBondContact O-NE2 3.35Å
132C94.9Very high97.5Very high44 Ų4433.6 Ų33.630%0.29717%0.174SC..THydrogen-bonded Turntrans55.419.6-174.4-57.60000115.6Q35 Q37 F38 A127 F130Q35-C132 PolarHBondContact O-SG 2.92Å; Q35-C132 VanDerWaalsContact O-SG 3.35Å; Q37-C132 PolarHBondContact O-SG 3.36Å; F38-C132 HydrophobicContact CD2-CB 4.07Å; F38-C132 VanDerWaalsContact CE2-CA 3.49Å; F38-C132 HydrophobicContact CE2-CB 4.33Å; F38-C132 WeakPolarHBondContact CE2-O 3.46Å; A127-C132 PolarHBondContact O-N 2.82Å; A127-C132 VanDerWaalsContact O-N 3.15Å; F130-C132 PolarHBondContact O-N 3.23Å
133Q96.4Very high96.9Very high109 Ų10939.3 Ų39.351%0.50920%0.204SC..  trans-93.6132.7174.8-54.4-56.3-55.900110.6T102 F103 F130 Q131T102-Q133 HydrophobicContact CG2-CB 3.88Å; F103-Q133 WeakPolarHBondContact CB-O 3.36Å; F103-Q133 PolarHBondContact N-O 3.12Å; F130-Q133 WeakPolarHBondContact O-CB 3.49Å; F130-Q133 PolarHBondContact O-N 3.34Å; Q131-Q133 PolarHBondContact O-N 3.35Å; Q131-Q133 VanDerWaalsContact O-N 3.1Å; Q131-Q133 PolarHBondContact O-NE2 3.35Å
134K95.8Very high96.9Very high84 Ų8440.5 Ų40.537%0.36521%0.211SC..BIsolated β-bridgetrans-146.1143.2176.660.4-179.6-179.8170.90113F38 D39 F103 I138F38-K134 HydrophobicContact CD2-CD 4.48Å; F38-K134 HydrophobicContact CE2-CB 3.99Å; F38-K134 HydrophobicContact CE2-CD 3.83Å; F38-K134 HydrophobicContact CE2-CG 3.93Å; F38-K134 HydrophobicContact CZ-CB 3.94Å; F38-K134 HydrophobicContact CZ-CD 4.38Å; F38-K134 HydrophobicContact CZ-CG 4.4Å; D39-K134 PolarHBondContact O-NZ 2.81Å; D39-K134 IonicContact OD2-NZ 2.68Å; F103-K134 HydrophobicContact CB-CB 3.94Å; F103-K134 HydrophobicContact CD1-CB 4.19Å; F103-K134 HydrophobicContact CG-CB 4.5Å; K134-I138 HydrophobicContact CD-CD1 4.35Å
135E93Very high96.8Very high144 Ų14442.6 Ų42.667%0.67322%0.222SC*.SBendtrans-99.9-3.1173.7-80.7167.4-156.500113T102 F103T102-E135 HydrophobicContact CG2-CB 4.38Å; T102-E135 HydrophobicContact CG2-CG 3.73Å; F103-E135 PolarHBondContact O-N 2.85Å
136G93.8Very high96.6Very high19 Ų1944.4 Ų44.420%0.19623%0.232CC..SBendtrans-162.6-177.7-178.100000113.3
137P96.2Very high96.5Very high79 Ų7946.6 Ų46.651%0.51324%0.243SC..  trans-69.5139.3178.529.9-34.2000110.8I139P137-I139 HydrophobicContact CB-CG1 4.45Å; P137-I139 HydrophobicContact CG-CD1 4.45Å
138I98.1Very high96.4Very high3 Ų349.5 Ų49.52%0.01526%0.259CS..  trans-88.8115.8168.1-64.3171.8000107F38 Y40 T41 F103 I110 L126 K134 I140F38-I138 HydrophobicContact CD1-CD1 3.43Å; F38-I138 VanDerWaalsContact CD1-CD1 3.43Å; F38-I138 HydrophobicContact CD2-CD1 4.29Å; F38-I138 HydrophobicContact CE1-CD1 3.13Å; F38-I138 HydrophobicContact CE2-CD1 4.01Å; F38-I138 HydrophobicContact CG-CD1 4.02Å; F38-I138 HydrophobicContact CZ-CD1 3.46Å; F38-I138 VanDerWaalsContact CZ-CD1 3.46Å; Y40-I138 WeakPolarHBondContact CA-O 3.21Å; T41-I138 PolarHBondContact N-O 3.18Å; F103-I138 HydrophobicContact CD1-CD1 4.39Å; F103-I138 HydrophobicContact CD1-CG1 3.64Å; F103-I138 HydrophobicContact CD2-CG1 4.32Å; F103-I138 HydrophobicContact CE1-CB 4.37Å; F103-I138 HydrophobicContact CE1-CG1 3.55Å; F103-I138 HydrophobicContact CE2-CG1 4.23Å; F103-I138 HydrophobicContact CG-CD1 4.39Å; F103-I138 HydrophobicContact CG-CG1 4.05Å; F103-I138 HydrophobicContact CZ-CB 4.44Å; F103-I138 HydrophobicContact CZ-CG1 3.87Å; I110-I138 HydrophobicContact CD1-CG2 3.68Å; L126-I138 HydrophobicContact CD1-CG2 3.7Å; K134-I138 HydrophobicContact CD-CD1 4.35Å; I138-I140 HydrophobicContact CG2-CG1 4.46Å
139I98.4Very high96.2Very high64 Ų6452.8 Ų52.833%0.32828%0.276SS..EExtended strand (participates in β ladder)trans-111.7119.9177.3-61.9165.2000108.1T41 T43 P137T41-I139 WeakPolarHBondContact O-CA 3.12Å; T43-I139 HydrophobicContact CG2-CG2 4Å; T43-I139 WeakPolarHBondContact OG1-CG2 3.36Å; P137-I139 HydrophobicContact CB-CG1 4.45Å; P137-I139 HydrophobicContact CG-CD1 4.45Å
140I98.5Very high96Very high0 Ų055.7 Ų55.70%029%0.291CS..EExtended strand (participates in β ladder)trans-98.4118.3172.3-55.2-176.1000107.9Y40 T41 V42 T43 I110 L119 T122 I138Y40-I140 HydrophobicContact CD2-CD1 3.49Å; Y40-I140 VanDerWaalsContact CD2-CD1 3.49Å; Y40-I140 HydrophobicContact CD2-CG1 3.97Å; Y40-I140 HydrophobicContact CE2-CD1 3.87Å; Y40-I140 HydrophobicContact CG-CD1 4.03Å; T41-I140 PolarHBondContact O-N 3.03Å; V42-I140 WeakPolarHBondContact CA-O 3.34Å; T43-I140 PolarHBondContact N-O 3.38Å; T43-I140 VanDerWaalsContact N-O 3.07Å; I110-I140 HydrophobicContact CG2-CB 4.37Å; I110-I140 HydrophobicContact CG2-CG1 3.92Å; I110-I140 HydrophobicContact CG2-CG2 4.18Å; L119-I140 HydrophobicContact CD2-CB 4.43Å; L119-I140 HydrophobicContact CD2-CG2 3.74Å; T122-I140 HydrophobicContact CG2-CD1 3.75Å; T122-I140 HydrophobicContact CG2-CG1 4.4Å; I138-I140 HydrophobicContact CG2-CG1 4.46Å
141H98.3Very high95.9Very high36 Ų3660 Ų6017%0.16731%0.313CS..EExtended strand (participates in β ladder)trans-87.3135.4175.5-63.1-79.9000111T43 N44 L45 F109 I110 R111 S112T43-H141 PolarHBondContact OG1-CE1 2.94Å; T43-H141 PolarHBondContact OG1-ND1 3.27Å; T43-H141 VanDerWaalsContact OG1-ND1 3.09Å; N44-H141 PolarHBondContact O-ND1 3.44Å; L45-H141 HydrophobicContact CD2-CB 4.25Å; F109-H141 AromaticContact CE2-CD2 3.34Å; F109-H141 WeakPolarHBondContact CE2-CD2 3.42Å; F109-H141 AromaticContact CE2-NE2 3.73Å; F109-H141 AromaticContact CZ-CD2 3.88Å; I110-H141 PolarHBondContact O-N 3.09Å; R111-H141 VanDerWaalsContact CA-O 3.3Å; R111-H141 WeakPolarHBondContact CA-O 3.16Å; R111-H141 HydrophobicContact CG-CB 4.17Å; S112-H141 PolarHBondContact N-O 3Å; S112-H141 VanDerWaalsContact N-O 3.07Å
142T97.1Very high95.7Very high0 Ų059 Ų590%031%0.311CS..EExtended strand (participates in β ladder)trans-134.1155.1177.3-168.90000112.3V42 T43 N44 L45 P51 S112 T113 N114V42-T142 HydrophobicContact CG1-CG2 3.69Å; T43-T142 PolarHBondContact O-N 3.29Å; N44-T142 CarbonylContact C-O 3.6Å; N44-T142 VanDerWaalsContact CA-O 3.3Å; N44-T142 WeakPolarHBondContact CA-O 3.2Å; L45-T142 PolarHBondContact N-O 2.71Å; L45-T142 VanDerWaalsContact N-O 3.17Å; P51-T142 HydrophobicContact CG-CG2 3.76Å; S112-T142 WeakPolarHBondContact O-CA 3.1Å; S112-T142 VanDerWaalsContact O-CB 3.32Å; S112-T142 WeakPolarHBondContact O-CB 3.4Å; S112-T142 PolarHBondContact O-OG1 2.71Å; T113-T142 VanDerWaalsContact C-OG1 3.3Å; N114-T142 WeakPolarHBondContact CA-OG1 2.95Å; N114-T142 HydrophobicContact CB-CG2 3.99Å; N114-T142 WeakPolarHBondContact CB-OG1 3.48Å; N114-T142 PolarHBondContact N-OG1 2.96Å
143D87.8Confident95.8Very high126 Ų12660.4 Ų60.467%0.67431%0.313SS*.  trans-93.30160.349.2-0.2000112L45 N114L45-D143 HydrophobicContact CD1-CB 4.22Å; L45-D143 HydrophobicContact CG-CB 4.45Å; N114-D143 VanDerWaalsContact CB-O 3.23Å; N114-D143 WeakPolarHBondContact CB-O 3.28Å

Retrieved 143 of 143 residues in 50.8 ms (Link to these results)

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