A0A077ZNX3_TRITR Loading...

Acetyl-CoA hydrolase

AlphaFold DB , UniProt , Accession A0A077ZNX3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 276 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
1M47.1Very low82.3Confident221 Ų22195.1 Ų95.1100%1.08948%0.476SS*.  0119.90-72.4-178.2-147.500106.8T3M1-T3 PolarHBondContact O-N 3.49Å
2E56.1Low83.6Confident196 Ų19695 Ų9592%0.91647%0.473SS*.  trans-64.4127.9175.9-133166.5-174.100108.5Q4E2-Q4 PolarHBondContact O-N 3.36Å
3T64.4Low84.8Confident55 Ų5587.7 Ų87.734%0.33744%0.437SS..  trans-64.9126.3177.340.80000109.2M1 W5 P134M1-T3 PolarHBondContact O-N 3.49Å; T3-W5 HydrophobicContact CG2-CH2 4.09Å; T3-W5 HydrophobicContact CG2-CZ2 3.55Å; T3-W5 PolarHBondContact O-N 3.31Å; T3-P134 HydrophobicContact CG2-CG 4.33Å
4Q76Confident85.8Confident125 Ų12581.5 Ų81.558%0.58441%0.406SS*.SBendtrans-72.9-10.3-175.6-107.7179.65.600114.7E2 K206E2-Q4 PolarHBondContact O-N 3.36Å; Q4-K206 VanDerWaalsContact OE1-CG 3.3Å
5W82.1Confident86.6Confident16 Ų1683.8 Ų83.86%0.06142%0.415CS..SBendtrans-102.9151.1-176.95579.3000112.1T3 L132 A133 P134 P205 I208 V211T3-W5 HydrophobicContact CG2-CH2 4.09Å; T3-W5 HydrophobicContact CG2-CZ2 3.55Å; T3-W5 PolarHBondContact O-N 3.31Å; W5-L132 HydrophobicContact CD2-CD2 4.21Å; W5-L132 HydrophobicContact CH2-CD1 4.48Å; W5-L132 HydrophobicContact CH2-CD2 3.9Å; W5-L132 HydrophobicContact CH2-CG 3.86Å; W5-L132 HydrophobicContact CZ2-CD2 3.58Å; W5-L132 HydrophobicContact CZ2-CG 3.89Å; W5-L132 HydrophobicContact CZ3-CD2 4.44Å; W5-A133 WeakPolarHBondContact CH2-O 3.44Å; W5-P134 HydrophobicContact CH2-CB 4.42Å; W5-P205 HydrophobicContact CZ3-CB 4.5Å; W5-I208 HydrophobicContact CB-CB 4.15Å; W5-I208 HydrophobicContact CB-CG2 3.66Å; W5-I208 WeakPolarHBondContact CB-O 3.45Å; W5-I208 HydrophobicContact CD2-CG2 4.43Å; W5-I208 HydrophobicContact CE3-CD1 4.12Å; W5-I208 HydrophobicContact CG-CG2 4.09Å; W5-I208 HydrophobicContact CZ3-CD1 4.25Å; W5-V211 HydrophobicContact CB-CG2 4.21Å; W5-V211 HydrophobicContact CD2-CG2 4.32Å; W5-V211 HydrophobicContact CG-CG2 3.67Å
6T91.1Very high87.3Confident85 Ų8580.7 Ų80.752%0.52140%0.4SS..EExtended strand (participates in β ladder)trans-88.7128.7177.4-52.40000109.9M8 A210 V211T6-M8 HydrophobicContact CG2-CE 3.64Å; T6-A210 CarbonylContact O-C 3.35Å; T6-A210 WeakPolarHBondContact O-CA 3.24Å; T6-V211 PolarHBondContact O-N 3.47Å
7R96.1Very high88Confident142 Ų14275.9 Ų75.954%0.53638%0.376SS..EExtended strand (participates in β ladder)trans-80.9131.2165.2-72.8-174.5176.784.4-0.3109.1V211 E213R7-V211 WeakPolarHBondContact CA-O 3.19Å; R7-V211 HydrophobicContact CG-CB 4.35Å; R7-E213 IonicContact CZ-OE1 3.99Å; R7-E213 IonicContact NE-OE1 2.97Å; R7-E213 PolarHBondContact NE-OE1 2.78Å
8M97.1Very high88.6Confident41 Ų4176.6 Ų76.620%0.20238%0.378CS..  trans-152.4168.6-178.765.6-174.770.300111.1T6 E12 A13 I16 A210 V211T6-M8 HydrophobicContact CG2-CE 3.64Å; M8-E12 HydrophobicContact CB-CB 3.96Å; M8-E12 WeakPolarHBondContact CB-OE2 3.39Å; M8-E12 HydrophobicContact CG-CB 4.17Å; M8-E12 HydrophobicContact SD-CB 4.04Å; M8-A13 HydrophobicContact CG-CB 4Å; M8-A13 VanDerWaalsContact SD-CA 3.58Å; M8-A13 HydrophobicContact SD-CB 3.96Å; M8-I16 HydrophobicContact CE-CD1 4.43Å; M8-I16 HydrophobicContact SD-CD1 4.09Å; M8-A210 HydrophobicContact CE-CB 3.69Å; M8-A210 HydrophobicContact CG-CB 3.91Å; M8-A210 HydrophobicContact SD-CB 3.57Å; M8-A210 VanDerWaalsContact SD-CB 3.57Å; M8-V211 PolarHBondContact N-O 3.11Å
9T98.3Very high89.1Confident74 Ų7475.7 Ų75.745%0.45437%0.373SS..  trans-70.6161.5174.566.10000111.3N11 E12 A13T9-N11 PolarHBondContact O-N 2.95Å; T9-E12 WeakPolarHBondContact CB-OE2 3.25Å; T9-E12 WeakPolarHBondContact CG2-OE2 3.33Å; T9-E12 PolarHBondContact N-OE2 2.99Å; T9-E12 PolarHBondContact O-N 3.07Å; T9-E12 VanDerWaalsContact OG1-CD 3.29Å; T9-E12 VanDerWaalsContact OG1-CG 3.3Å; T9-E12 WeakPolarHBondContact OG1-CG 3.46Å; T9-E12 PolarHBondContact OG1-N 2.91Å; T9-E12 PolarHBondContact OG1-OE2 3.34Å; T9-A13 WeakPolarHBondContact O-CB 3.43Å; T9-A13 PolarHBondContact O-N 2.95Å
10A98.5Very high89.6Confident17 Ų1776.1 Ų76.114%0.1438%0.377CS..Hα-helixtrans-58.5-34.4174.500000112.8A14 A36 L37 A40 V212A10-A14 WeakPolarHBondContact O-CB 3.41Å; A10-A14 PolarHBondContact O-N 2.99Å; A10-A36 HydrophobicContact CB-CB 3.76Å; A10-L37 HydrophobicContact CB-CD2 4.14Å; A10-A40 HydrophobicContact CB-CB 3.96Å; A10-A40 VanDerWaalsContact O-CB 3.29Å; A10-A40 WeakPolarHBondContact O-CB 3.32Å; A10-V212 HydrophobicContact CB-CG1 3.97Å
11N98.4Very high90Very high74 Ų7473.8 Ų73.840%0.39637%0.366SS..Hα-helixtrans-67.8-48.2178.4-64.6-21000111.5T9 A13 A14 E15 R43T9-N11 PolarHBondContact O-N 2.95Å; N11-A13 VanDerWaalsContact C-N 3.31Å; N11-A13 PolarHBondContact O-N 3Å; N11-A14 WeakPolarHBondContact O-CB 3.42Å; N11-A14 PolarHBondContact O-N 3.17Å; N11-A14 VanDerWaalsContact O-N 3.15Å; N11-E15 PolarHBondContact O-N 2.91Å; N11-R43 PolarHBondContact ND2-NH1 3.23Å; N11-R43 PolarHBondContact OD1-NH1 2.74Å
12E98.3Very high92.5Very high94 Ų9463.4 Ų63.444%0.43932%0.315SS..Hα-helixtrans-61.2-42.2176.5-69.4161.714200110.7M8 T9 A14 E15M8-E12 HydrophobicContact CB-CB 3.96Å; M8-E12 WeakPolarHBondContact CB-OE2 3.39Å; M8-E12 HydrophobicContact CG-CB 4.17Å; M8-E12 HydrophobicContact SD-CB 4.04Å; T9-E12 WeakPolarHBondContact CB-OE2 3.25Å; T9-E12 WeakPolarHBondContact CG2-OE2 3.33Å; T9-E12 PolarHBondContact N-OE2 2.99Å; T9-E12 PolarHBondContact O-N 3.07Å; T9-E12 VanDerWaalsContact OG1-CD 3.29Å; T9-E12 VanDerWaalsContact OG1-CG 3.3Å; T9-E12 WeakPolarHBondContact OG1-CG 3.46Å; T9-E12 PolarHBondContact OG1-N 2.91Å; T9-E12 PolarHBondContact OG1-OE2 3.34Å; E12-A14 VanDerWaalsContact C-N 3.31Å; E12-A14 PolarHBondContact O-N 2.91Å; E12-E15 WeakPolarHBondContact O-CB 3.36Å; E12-E15 PolarHBondContact O-N 2.97Å; E12-E15 VanDerWaalsContact O-N 3.11Å
13A98.5Very high94.5Very high0 Ų054.1 Ų54.10%027%0.271CS..Hα-helixtrans-63-37.6175.700000112.2M8 T9 N11 E15 I16 L37 I158 A210 V212M8-A13 HydrophobicContact CG-CB 4Å; M8-A13 VanDerWaalsContact SD-CA 3.58Å; M8-A13 HydrophobicContact SD-CB 3.96Å; T9-A13 WeakPolarHBondContact O-CB 3.43Å; T9-A13 PolarHBondContact O-N 2.95Å; N11-A13 VanDerWaalsContact C-N 3.31Å; N11-A13 PolarHBondContact O-N 3Å; A13-E15 PolarHBondContact O-N 3.05Å; A13-I16 VanDerWaalsContact O-CB 3.31Å; A13-I16 WeakPolarHBondContact O-CB 3.34Å; A13-I16 WeakPolarHBondContact O-CG1 3.49Å; A13-I16 PolarHBondContact O-N 3.07Å; A13-L37 HydrophobicContact CB-CD1 4.07Å; A13-L37 HydrophobicContact CB-CD2 4.5Å; A13-I158 HydrophobicContact CB-CD1 4.31Å; A13-I158 HydrophobicContact CB-CG2 4.13Å; A13-I158 WeakPolarHBondContact O-CD1 3.44Å; A13-A210 HydrophobicContact CB-CB 4.11Å; A13-V212 HydrophobicContact CB-CG2 3.53Å
14A98.6Very high96.2Very high1 Ų151.5 Ų51.51%0.00826%0.255CS..Hα-helixtrans-65.9-22.8175.900000112.9A10 N11 E12 I16 I17 L37 A40 I41 R44A10-A14 WeakPolarHBondContact O-CB 3.41Å; A10-A14 PolarHBondContact O-N 2.99Å; N11-A14 WeakPolarHBondContact O-CB 3.42Å; N11-A14 PolarHBondContact O-N 3.17Å; N11-A14 VanDerWaalsContact O-N 3.15Å; E12-A14 VanDerWaalsContact C-N 3.31Å; E12-A14 PolarHBondContact O-N 2.91Å; A14-I16 PolarHBondContact O-N 2.75Å; A14-I17 PolarHBondContact O-N 2.98Å; A14-L37 HydrophobicContact CB-CD1 4.07Å; A14-A40 HydrophobicContact CB-CB 3.76Å; A14-I41 HydrophobicContact CB-CG1 4.07Å; A14-R44 VanDerWaalsContact O-CD 3.23Å; A14-R44 WeakPolarHBondContact O-CD 3.49Å
15E98.2Very high97.2Very high116 Ų11645.5 Ų45.554%0.54223%0.227SC..Hα-helixtrans-65.6-23.2174.3-59.5-171.7173.600113.3N11 E12 A13 I17 Q18N11-E15 PolarHBondContact O-N 2.91Å; E12-E15 WeakPolarHBondContact O-CB 3.36Å; E12-E15 PolarHBondContact O-N 2.97Å; E12-E15 VanDerWaalsContact O-N 3.11Å; A13-E15 PolarHBondContact O-N 3.05Å; E15-I17 PolarHBondContact O-N 2.77Å; E15-Q18 PolarHBondContact O-NE2 2.94Å
16I98.3Very high98Very high34 Ų3444.8 Ų44.817%0.17423%0.225CC..THydrogen-bonded Turntrans-68.1-30.2177-56.8173.7000110.7M8 A13 A14 Q18 K156 I158 V209 A210M8-I16 HydrophobicContact CE-CD1 4.43Å; M8-I16 HydrophobicContact SD-CD1 4.09Å; A13-I16 VanDerWaalsContact O-CB 3.31Å; A13-I16 WeakPolarHBondContact O-CB 3.34Å; A13-I16 WeakPolarHBondContact O-CG1 3.49Å; A13-I16 PolarHBondContact O-N 3.07Å; A14-I16 PolarHBondContact O-N 2.75Å; I16-Q18 PolarHBondContact O-NE2 2.75Å; I16-K156 HydrophobicContact CG2-CD 3.86Å; I16-I158 HydrophobicContact CB-CD1 4.45Å; I16-I158 HydrophobicContact CD1-CD1 4.45Å; I16-V209 HydrophobicContact CD1-CB 4.4Å; I16-V209 HydrophobicContact CD1-CG2 3.85Å; I16-V209 HydrophobicContact CG2-CG2 4.22Å; I16-A210 HydrophobicContact CD1-CB 3.92Å
17I98.8Very high98.1Very high0 Ų040.8 Ų40.80%020%0.2CC..PPolyproline II helixtrans-83.6120-177.6-59.6170.6000109.2A14 E15 D21 V23 I41 R44 Y55 I57 V124 V126 I158A14-I17 PolarHBondContact O-N 2.98Å; E15-I17 PolarHBondContact O-N 2.77Å; I17-D21 HydrophobicContact CG2-CB 4.47Å; I17-V23 HydrophobicContact CD1-CG1 4.47Å; I17-V23 HydrophobicContact CG2-CG2 3.59Å; I17-I41 HydrophobicContact CD1-CD1 3.51Å; I17-I41 HydrophobicContact CD1-CG1 3.84Å; I17-R44 PolarHBondContact O-NE 3.24Å; I17-Y55 WeakPolarHBondContact O-CE2 3.35Å; I17-Y55 PolarHBondContact O-OH 3.43Å; I17-I57 HydrophobicContact CG2-CG2 3.66Å; I17-V124 HydrophobicContact CD1-CG1 4.43Å; I17-V124 HydrophobicContact CG1-CB 4.27Å; I17-V124 HydrophobicContact CG1-CG1 4.06Å; I17-V124 HydrophobicContact CG1-CG2 4.18Å; I17-V126 HydrophobicContact CD1-CG2 4.07Å; I17-I158 HydrophobicContact CD1-CD1 4.19Å; I17-I158 HydrophobicContact CG1-CD1 4.23Å
18Q98.6Very high98.1Very high87 Ų8738 Ų3841%0.40719%0.192SC..PPolyproline II helixtrans-100.8164.3-178.1-52.4-48.7-4500112.2E15 I16 N20 D21E15-Q18 PolarHBondContact O-NE2 2.94Å; I16-Q18 PolarHBondContact O-NE2 2.75Å; Q18-N20 PolarHBondContact O-N 3.1Å; Q18-D21 PolarHBondContact N-OD2 3.18Å; Q18-D21 WeakPolarHBondContact O-CB 3.37Å; Q18-D21 PolarHBondContact O-N 2.89Å
19H98.7Very high97.8Very high60 Ų6038 Ų3828%0.27819%0.194SC..THydrogen-bonded Turntrans-57.2137.4169.6177.240.4000110.7D21 Y55 Q56H19-D21 PolarHBondContact O-N 2.75Å; H19-Y55 HydrophobicContact CB-CD2 4.18Å; H19-Q56 PolarHBondContact ND1-N 3.04Å; H19-Q56 PolarHBondContact ND1-O 3.31Å
20N98.5Very high97.5Very high84 Ų8435 Ų3545%0.44918%0.176SC..THydrogen-bonded Turntrans71.5-0.8-177.8-63.2-37.8000116.5Q18 M22 Q56 R58Q18-N20 PolarHBondContact O-N 3.1Å; N20-M22 PolarHBondContact O-N 2.93Å; N20-Q56 PolarHBondContact N-O 2.85Å; N20-R58 PolarHBondContact O-NE 2.86Å; N20-R58 VanDerWaalsContact O-NE 3.1Å; N20-R58 PolarHBondContact O-NH2 2.79Å
21D98.8Very high97.4Very high27 Ų2735.3 Ų35.314%0.14418%0.178CC..  trans-54.7136.6171.7-78.7-3.4000110.4I17 Q18 H19 V23 R58 D123I17-D21 HydrophobicContact CG2-CB 4.47Å; Q18-D21 PolarHBondContact N-OD2 3.18Å; Q18-D21 WeakPolarHBondContact O-CB 3.37Å; Q18-D21 PolarHBondContact O-N 2.89Å; H19-D21 PolarHBondContact O-N 2.75Å; D21-V23 HydrophobicContact CB-CG2 4.01Å; D21-V23 PolarHBondContact O-N 3.46Å; D21-R58 PolarHBondContact O-N 2.95Å; D21-D123 WeakPolarHBondContact CA-OD2 3.33Å; D21-D123 HydrophobicContact CB-CB 3.97Å
22M98.8Very high97.3Very high4 Ų431.8 Ų31.82%0.0216%0.159CC..EExtended strand (participates in β ladder)trans-77.5109.6161.5-17965.470.200107.9N20 R58 L60 W81 F119 D121 I122 D123 V124N20-M22 PolarHBondContact O-N 2.93Å; M22-R58 WeakPolarHBondContact CA-O 3.35Å; M22-R58 HydrophobicContact CE-CB 3.89Å; M22-R58 HydrophobicContact SD-CB 3.88Å; M22-L60 HydrophobicContact SD-CB 4.07Å; M22-W81 HydrophobicContact CE-CE3 4.28Å; M22-W81 HydrophobicContact CE-CZ3 4.03Å; M22-W81 HydrophobicContact SD-CE3 4.45Å; M22-W81 HydrophobicContact SD-CZ3 4.08Å; M22-F119 HydrophobicContact CE-CB 4.36Å; M22-D121 VanDerWaalsContact CB-O 3.25Å; M22-D121 WeakPolarHBondContact CB-O 3.39Å; M22-I122 HydrophobicContact CG-CG1 4.18Å; M22-D123 PolarHBondContact N-OD2 3.41Å; M22-D123 PolarHBondContact O-N 3.27Å; M22-V124 PolarHBondContact O-N 3.43Å
23V98.9Very high97.2Very high0 Ų027.3 Ų27.30%014%0.139CC..EExtended strand (participates in β ladder)trans-106129.4-179.6-175.30000109.1I17 D21 F25 I57 R58 L59 L60 V124 V126I17-V23 HydrophobicContact CD1-CG1 4.47Å; I17-V23 HydrophobicContact CG2-CG2 3.59Å; D21-V23 HydrophobicContact CB-CG2 4.01Å; D21-V23 PolarHBondContact O-N 3.46Å; V23-F25 HydrophobicContact CG1-CD1 3.82Å; V23-F25 HydrophobicContact CG1-CE1 3.37Å; V23-F25 HydrophobicContact CG1-CZ 4.28Å; V23-I57 HydrophobicContact CB-CD1 3.97Å; V23-I57 HydrophobicContact CG1-CD1 4.38Å; V23-I57 HydrophobicContact CG2-CB 3.89Å; V23-I57 HydrophobicContact CG2-CD1 4.03Å; V23-I57 HydrophobicContact CG2-CG2 3.85Å; V23-R58 PolarHBondContact N-O 3.18Å; V23-L59 WeakPolarHBondContact O-CA 3.3Å; V23-L60 PolarHBondContact O-N 3.3Å; V23-V124 CarbonylContact C-O 3.58Å; V23-V124 VanDerWaalsContact CA-O 3.28Å; V23-V124 WeakPolarHBondContact CA-O 3.35Å; V23-V126 HydrophobicContact CG1-CG2 4.17Å
24A98.8Very high97.2Very high0 Ų027.3 Ų27.30%014%0.139CC..EExtended strand (participates in β ladder)trans-112.7121.1178.100000111.1L60 I122 V124 A125 V126 W150A24-L60 CarbonylContact C-O 3.55Å; A24-L60 VanDerWaalsContact CA-O 3.25Å; A24-L60 WeakPolarHBondContact CA-O 3.49Å; A24-L60 HydrophobicContact CB-CB 4.5Å; A24-I122 HydrophobicContact CB-CD1 4.27Å; A24-I122 HydrophobicContact CB-CG2 3.77Å; A24-V124 PolarHBondContact N-O 2.76Å; A24-A125 CarbonylContact O-C 3.57Å; A24-A125 VanDerWaalsContact O-CA 3.3Å; A24-A125 WeakPolarHBondContact O-CA 3.28Å; A24-V126 PolarHBondContact O-N 3.32Å; A24-W150 HydrophobicContact CB-CB 4.07Å; A24-W150 HydrophobicContact CB-CD2 3.6Å; A24-W150 HydrophobicContact CB-CE3 3.91Å; A24-W150 HydrophobicContact CB-CG 3.67Å; A24-W150 HydrophobicContact CB-CZ3 4.49Å
25F98.8Very high97.1Very high0 Ų028.8 Ų28.80%015%0.145CC..EExtended strand (participates in β ladder)trans-96.2144.5173.4-64.7-10.4000111.6V23 P34 P38 I41 L59 L60 T61 I65 L73 V126 W150V23-F25 HydrophobicContact CG1-CD1 3.82Å; V23-F25 HydrophobicContact CG1-CE1 3.37Å; V23-F25 HydrophobicContact CG1-CZ 4.28Å; F25-P34 HydrophobicContact CB-CG 4.11Å; F25-P34 HydrophobicContact CD1-CG 4.4Å; F25-P34 HydrophobicContact CG-CG 4.15Å; F25-P38 HydrophobicContact CE2-CB 4.44Å; F25-P38 HydrophobicContact CE2-CG 3.9Å; F25-P38 HydrophobicContact CZ-CG 4.43Å; F25-I41 HydrophobicContact CE1-CD1 4.12Å; F25-I41 HydrophobicContact CZ-CD1 3.73Å; F25-L59 HydrophobicContact CB-CD1 4.45Å; F25-L59 HydrophobicContact CD1-CD1 4.01Å; F25-L59 HydrophobicContact CD2-CD1 3.66Å; F25-L59 HydrophobicContact CD2-CD2 4.38Å; F25-L59 HydrophobicContact CE1-CD1 4.17Å; F25-L59 HydrophobicContact CE2-CD1 3.79Å; F25-L59 HydrophobicContact CE2-CD2 4.24Å; F25-L59 HydrophobicContact CG-CD1 3.77Å; F25-L59 HydrophobicContact CZ-CD1 4.05Å; F25-L60 PolarHBondContact N-O 2.76Å; F25-T61 HydrophobicContact CB-CG2 4.25Å; F25-I65 HydrophobicContact CD2-CD1 4.03Å; F25-I65 HydrophobicContact CE2-CD1 4.46Å; F25-L73 HydrophobicContact CE2-CD1 3.96Å; F25-L73 HydrophobicContact CZ-CD1 4.45Å; F25-V126 WeakPolarHBondContact CA-O 3.32Å; F25-V126 HydrophobicContact CD1-CB 3.61Å; F25-V126 HydrophobicContact CD1-CG2 3.94Å; F25-V126 HydrophobicContact CE1-CB 3.76Å; F25-V126 HydrophobicContact CE1-CG2 3.64Å; F25-W150 PolarHBondContact O-NE1 3.33Å
26S98.4Very high97.1Very high1 Ų124.3 Ų24.31%0.00713%0.128CC..  trans-66.1174.4162.664.10000111.5G32 S33 V126 E128S26-G32 CarbonylContact C-O 3.58Å; S26-G32 WeakPolarHBondContact CB-O 3.3Å; S26-G32 PolarHBondContact OG-O 3.32Å; S26-S33 WeakPolarHBondContact O-CA 3.35Å; S26-V126 PolarHBondContact N-O 2.99Å; S26-E128 PolarHBondContact OG-N 2.85Å
27G92Very high97.1Very high0 Ų022.7 Ų22.70%012%0.12CC..  trans102.9160.1174.600000113.7A31 G32 G62G27-A31 CarbonylContact C-O 3.39Å; G27-A31 WeakPolarHBondContact CA-O 3.48Å; G27-G32 WeakPolarHBondContact CA-O 3.37Å; G27-G32 PolarHBondContact N-O 3.11Å; G27-G62 WeakPolarHBondContact O-CA 3.21Å; G27-G62 PolarHBondContact O-N 3.32Å
28F96Very high97.1Very high85 Ų8522.8 Ų22.837%0.37312%0.12SC..BIsolated β-bridgetrans-152.6112.2179.3-170.2-78.7000107.5A31 A63 L107F28-A31 PolarHBondContact N-O 2.84Å; F28-A63 HydrophobicContact CD1-CB 4.3Å; F28-A63 HydrophobicContact CD2-CB 3.61Å; F28-A63 HydrophobicContact CE1-CB 4.24Å; F28-A63 HydrophobicContact CE2-CB 3.6Å; F28-A63 HydrophobicContact CG-CB 3.98Å; F28-A63 HydrophobicContact CZ-CB 3.91Å; F28-L107 HydrophobicContact CE2-CD1 3.74Å; F28-L107 HydrophobicContact CZ-CD1 3.6Å
29T91.2Very high97Very high39 Ų3921.7 Ų21.724%0.23912%0.12CC..THydrogen-bonded Turntrans61.5-163.9-155.581.50000109.5A31 S64 I65T29-A31 PolarHBondContact O-N 3.45Å; T29-A31 VanDerWaalsContact O-N 3.14Å; T29-S64 CarbonylContact C-O 3.47Å; T29-S64 VanDerWaalsContact CA-O 3.25Å; T29-S64 WeakPolarHBondContact CA-O 3.32Å; T29-S64 WeakPolarHBondContact CA-OG 3.39Å; T29-S64 PolarHBondContact N-O 2.82Å; T29-I65 WeakPolarHBondContact O-CA 3.37Å
30P92.6Very high97Very high13 Ų1319 Ų198%0.08411%0.108CC..THydrogen-bonded Turntrans-60.3-20.6175.2-24.433.8000115.3G32 S33 A219P30-G32 PolarHBondContact O-N 2.92Å; P30-S33 PolarHBondContact O-OG 2.95Å; P30-A219 HydrophobicContact CB-CB 3.87Å; P30-A219 WeakPolarHBondContact CB-O 3.19Å; P30-A219 HydrophobicContact CG-CB 4.36Å
31A95.6Very high97.1Very high22 Ų2215 Ų1518%0.1829%0.086CC..BIsolated β-bridgetrans-67.4128.9-176.300000111.9G27 F28 T29 S33G27-A31 CarbonylContact C-O 3.39Å; G27-A31 WeakPolarHBondContact CA-O 3.48Å; F28-A31 PolarHBondContact N-O 2.84Å; T29-A31 PolarHBondContact O-N 3.45Å; T29-A31 VanDerWaalsContact O-N 3.14Å; A31-S33 PolarHBondContact O-N 3.21Å
32G96.6Very high97.1Very high0 Ų013.9 Ų13.90%08%0.081CC..THydrogen-bonded Turntrans73.59.1172.800000115.6S26 G27 P30 E128 T141 S142 D218S26-G32 CarbonylContact C-O 3.58Å; S26-G32 WeakPolarHBondContact CB-O 3.3Å; S26-G32 PolarHBondContact OG-O 3.32Å; G27-G32 WeakPolarHBondContact CA-O 3.37Å; G27-G32 PolarHBondContact N-O 3.11Å; P30-G32 PolarHBondContact O-N 2.92Å; G32-E128 VanDerWaalsContact CA-OE2 3.24Å; G32-E128 WeakPolarHBondContact CA-OE2 3.44Å; G32-T141 VanDerWaalsContact CA-OG1 3.26Å; G32-T141 WeakPolarHBondContact CA-OG1 3.5Å; G32-S142 PolarHBondContact N-OG 3.49Å; G32-S142 VanDerWaalsContact N-OG 3.09Å; G32-D218 PolarHBondContact N-OD1 3.28Å
33S97Very high97Very high1 Ų118.9 Ų18.91%0.00710%0.099CC..  trans-84.6144.7176.567.10000111.3S26 P30 A31 K35S26-S33 WeakPolarHBondContact O-CA 3.35Å; P30-S33 PolarHBondContact O-OG 2.95Å; A31-S33 PolarHBondContact O-N 3.21Å; S33-K35 PolarHBondContact O-NZ 3.41Å
34P97.6Very high97Very high0 Ų020.7 Ų20.70%011%0.106CC..  trans-54.2140.7172.2-2233.3000111F25 P38 V126 E160F25-P34 HydrophobicContact CB-CG 4.11Å; F25-P34 HydrophobicContact CD1-CG 4.4Å; F25-P34 HydrophobicContact CG-CG 4.15Å; P34-P38 WeakPolarHBondContact O-CG 3.46Å; P34-V126 HydrophobicContact CB-CG1 3.78Å; P34-V126 HydrophobicContact CG-CB 4.1Å; P34-V126 HydrophobicContact CG-CG1 3.67Å; P34-V126 VanDerWaalsContact CG-O 3.28Å; P34-V126 WeakPolarHBondContact CG-O 3.27Å; P34-E160 HydrophobicContact CB-CG 4.45Å; P34-E160 WeakPolarHBondContact CB-OE1 3.17Å
35K96.6Very high97Very high32 Ų3220.7 Ų20.714%0.13911%0.106CC..SBendtrans-108.4-37.4-175.9-70.3129.3175.889.80112.3S33 E128 E160 N162 L216 P217 D218S33-K35 PolarHBondContact O-NZ 3.41Å; K35-E128 WeakPolarHBondContact CD-OE1 3.46Å; K35-E128 WeakPolarHBondContact CE-OE1 3.26Å; K35-E128 IonicContact NZ-OE1 3.67Å; K35-E128 PolarHBondContact NZ-OE1 3.41Å; K35-E128 IonicContact NZ-OE2 2.75Å; K35-E128 PolarHBondContact NZ-OE2 2.86Å; K35-E160 PolarHBondContact N-OE1 2.92Å; K35-E160 PolarHBondContact N-OE2 3.14Å; K35-N162 WeakPolarHBondContact CD-ND2 3.29Å; K35-L216 HydrophobicContact CB-CB 4.1Å; K35-L216 HydrophobicContact CB-CD1 3.68Å; K35-L216 HydrophobicContact CD-CB 3.77Å; K35-L216 VanDerWaalsContact CE-O 3.23Å; K35-L216 WeakPolarHBondContact CE-O 3.36Å; K35-L216 HydrophobicContact CG-CB 4.23Å; K35-P217 VanDerWaalsContact CE-C 3.43Å; K35-P217 WeakPolarHBondContact CE-O 3.42Å; K35-D218 IonicContact NZ-OD1 3.31Å; K35-D218 PolarHBondContact NZ-OD1 3.15Å
36A98Very high97Very high22 Ų2224.1 Ų24.118%0.18212%0.124CC..SBendtrans-90.2-41.2-173.600000113.1A10 T39 A40 E160 T214A10-A36 HydrophobicContact CB-CB 3.76Å; A36-T39 PolarHBondContact O-N 3.28Å; A36-A40 PolarHBondContact O-N 2.92Å; A36-A40 VanDerWaalsContact O-N 3.09Å; A36-E160 PolarHBondContact N-OE1 3.35Å; A36-E160 PolarHBondContact N-OE2 3.34Å; A36-T214 HydrophobicContact CB-CG2 3.82Å
37L98.4Very high97Very high0 Ų028.9 Ų28.90%015%0.146CC..Hα-helixtrans-63.9-38.3-176.6-93.6-61.9000113.9A10 A13 A14 T39 A40 I41 V126 I158 E160 V212A10-L37 HydrophobicContact CB-CD2 4.14Å; A13-L37 HydrophobicContact CB-CD1 4.07Å; A13-L37 HydrophobicContact CB-CD2 4.5Å; A14-L37 HydrophobicContact CB-CD1 4.07Å; L37-T39 VanDerWaalsContact C-N 3.31Å; L37-T39 PolarHBondContact O-N 2.72Å; L37-A40 PolarHBondContact O-N 3.28Å; L37-A40 VanDerWaalsContact O-N 3.17Å; L37-I41 HydrophobicContact CB-CD1 4.41Å; L37-I41 WeakPolarHBondContact O-CB 3.45Å; L37-I41 WeakPolarHBondContact O-CD1 3.36Å; L37-I41 WeakPolarHBondContact O-CG1 3.46Å; L37-I41 PolarHBondContact O-N 2.84Å; L37-V126 HydrophobicContact CB-CG1 3.76Å; L37-V126 HydrophobicContact CD2-CG1 4.38Å; L37-V126 HydrophobicContact CG-CG1 3.69Å; L37-I158 HydrophobicContact CD2-CG2 4.29Å; L37-I158 HydrophobicContact CG-CG2 4.41Å; L37-E160 WeakPolarHBondContact CB-OE1 3.48Å; L37-E160 HydrophobicContact CD2-CG 3.78Å; L37-E160 VanDerWaalsContact CD2-OE1 3.27Å; L37-E160 WeakPolarHBondContact CD2-OE1 3.35Å; L37-E160 PolarHBondContact N-OE1 3.44Å; L37-V212 HydrophobicContact CD2-CB 4.25Å; L37-V212 HydrophobicContact CD2-CG1 4.32Å; L37-V212 HydrophobicContact CD2-CG2 3.93Å
38P98.3Very high97.3Very high1 Ų130.9 Ų30.91%0.00616%0.156CC..Hα-helixtrans-55.1-46.4175.5-26.634.9000112.3F25 P34 A42 A69 V72 L73F25-P38 HydrophobicContact CE2-CB 4.44Å; F25-P38 HydrophobicContact CE2-CG 3.9Å; F25-P38 HydrophobicContact CZ-CG 4.43Å; P34-P38 WeakPolarHBondContact O-CG 3.46Å; P38-A42 WeakPolarHBondContact O-CB 3.43Å; P38-A42 PolarHBondContact O-N 3.3Å; P38-A69 HydrophobicContact CB-CB 3.83Å; P38-A69 HydrophobicContact CG-CB 3.84Å; P38-V72 HydrophobicContact CB-CG1 4.17Å; P38-L73 HydrophobicContact CB-CD1 4.23Å; P38-L73 HydrophobicContact CB-CG 4.27Å; P38-L73 VanDerWaalsContact O-CD2 3.29Å; P38-L73 WeakPolarHBondContact O-CD2 3.42Å
39T98.4Very high97.5Very high65 Ų6529.7 Ų29.740%0.39915%0.152SC..Hα-helixtrans-68.1-37.6177.2-54.70000112.5A36 L37 A42 R43A36-T39 PolarHBondContact O-N 3.28Å; L37-T39 VanDerWaalsContact C-N 3.31Å; L37-T39 PolarHBondContact O-N 2.72Å; T39-A42 PolarHBondContact O-N 3.36Å; T39-R43 PolarHBondContact O-N 2.91Å
40A98.7Very high97.8Very high4 Ų435.7 Ų35.73%0.03318%0.177CC..Hα-helixtrans-66.5-41.7177.300000112.4A10 A14 A36 L37 R43 R44A10-A40 HydrophobicContact CB-CB 3.96Å; A10-A40 VanDerWaalsContact O-CB 3.29Å; A10-A40 WeakPolarHBondContact O-CB 3.32Å; A14-A40 HydrophobicContact CB-CB 3.76Å; A36-A40 PolarHBondContact O-N 2.92Å; A36-A40 VanDerWaalsContact O-N 3.09Å; L37-A40 PolarHBondContact O-N 3.28Å; L37-A40 VanDerWaalsContact O-N 3.17Å; A40-R43 PolarHBondContact O-N 2.77Å; A40-R44 PolarHBondContact O-N 2.94Å
41I98.8Very high98.1Very high0 Ų037.8 Ų37.80%020%0.195CC..Hα-helixtrans-63.9-43.1174.7-66.7161.1000110.3A14 I17 F25 L37 R43 R44 A45 Y55 I57 L73A14-I41 HydrophobicContact CB-CG1 4.07Å; I17-I41 HydrophobicContact CD1-CD1 3.51Å; I17-I41 HydrophobicContact CD1-CG1 3.84Å; F25-I41 HydrophobicContact CE1-CD1 4.12Å; F25-I41 HydrophobicContact CZ-CD1 3.73Å; L37-I41 HydrophobicContact CB-CD1 4.41Å; L37-I41 WeakPolarHBondContact O-CB 3.45Å; L37-I41 WeakPolarHBondContact O-CD1 3.36Å; L37-I41 WeakPolarHBondContact O-CG1 3.46Å; L37-I41 PolarHBondContact O-N 2.84Å; I41-R43 VanDerWaalsContact C-N 3.34Å; I41-R43 PolarHBondContact O-N 2.74Å; I41-R44 PolarHBondContact O-N 3.24Å; I41-A45 PolarHBondContact O-N 2.91Å; I41-Y55 HydrophobicContact CG2-CE1 4.1Å; I41-I57 HydrophobicContact CG2-CD1 4.33Å; I41-L73 HydrophobicContact CB-CD2 3.94Å; I41-L73 HydrophobicContact CG2-CD2 3.72Å
42A98.7Very high98.2Very high3 Ų346.2 Ų46.23%0.02523%0.228CC..Hα-helixtrans-60.1-42175.500000112.2P38 T39 A45 N46 V72 L73 A76P38-A42 WeakPolarHBondContact O-CB 3.43Å; P38-A42 PolarHBondContact O-N 3.3Å; T39-A42 PolarHBondContact O-N 3.36Å; A42-A45 WeakPolarHBondContact O-CB 3.42Å; A42-A45 PolarHBondContact O-N 2.93Å; A42-N46 PolarHBondContact O-N 2.88Å; A42-N46 PolarHBondContact O-ND2 2.9Å; A42-V72 HydrophobicContact CB-CG1 4.41Å; A42-V72 HydrophobicContact CB-CG2 3.84Å; A42-V72 WeakPolarHBondContact CB-O 3.31Å; A42-L73 HydrophobicContact CB-CD2 4.36Å; A42-A76 HydrophobicContact CB-CB 3.69Å; A42-A76 WeakPolarHBondContact O-CB 3.49Å
43R98.6Very high98.3Very high109 Ų10951.8 Ų51.841%0.41125%0.252SS..Hα-helixtrans-60.9-46.7174.4-172.6-179.9-59.4133.89.7111.6N11 T39 A40 I41 A45 N46 E47N11-R43 PolarHBondContact ND2-NH1 3.23Å; N11-R43 PolarHBondContact OD1-NH1 2.74Å; T39-R43 PolarHBondContact O-N 2.91Å; A40-R43 PolarHBondContact O-N 2.77Å; I41-R43 VanDerWaalsContact C-N 3.34Å; I41-R43 PolarHBondContact O-N 2.74Å; R43-A45 VanDerWaalsContact C-N 3.29Å; R43-A45 PolarHBondContact O-N 2.92Å; R43-N46 PolarHBondContact O-N 2.81Å; R43-E47 WeakPolarHBondContact CG-OE1 3.12Å; R43-E47 WeakPolarHBondContact O-CG 3.32Å; R43-E47 PolarHBondContact O-N 2.92Å
44R98.3Very high98.3Very high38 Ų3856 Ų5614%0.14328%0.279CS..Hα-helixtrans-59.6-40.6176.3-177.8172.4178.176.9-2.8111.7A14 I17 A40 I41 E47 Q48 Y55A14-R44 VanDerWaalsContact O-CD 3.23Å; A14-R44 WeakPolarHBondContact O-CD 3.49Å; I17-R44 PolarHBondContact O-NE 3.24Å; A40-R44 PolarHBondContact O-N 2.94Å; I41-R44 PolarHBondContact O-N 3.24Å; R44-E47 PolarHBondContact O-N 3.47Å; R44-Q48 VanDerWaalsContact O-CG 3.29Å; R44-Q48 WeakPolarHBondContact O-CG 3.36Å; R44-Q48 PolarHBondContact O-N 2.86Å; R44-Y55 HydrophobicContact CG-CE1 4.4Å; R44-Y55 HydrophobicContact CG-CE2 4.09Å
45A98.8Very high98.4Very high0 Ų056.2 Ų56.20%028%0.28CS..Hα-helixtrans-59.9-50.4176.400000111.4I41 A42 R43 E47 Q48 H49 Y55 A76 A78I41-A45 PolarHBondContact O-N 2.91Å; A42-A45 WeakPolarHBondContact O-CB 3.42Å; A42-A45 PolarHBondContact O-N 2.93Å; R43-A45 VanDerWaalsContact C-N 3.29Å; R43-A45 PolarHBondContact O-N 2.92Å; A45-E47 PolarHBondContact O-N 2.87Å; A45-Q48 PolarHBondContact O-N 2.82Å; A45-H49 WeakPolarHBondContact O-CB 3.43Å; A45-H49 PolarHBondContact O-CD2 3.49Å; A45-H49 VanDerWaalsContact O-CD2 3.22Å; A45-H49 PolarHBondContact O-N 3.29Å; A45-Y55 HydrophobicContact CB-CD1 3.59Å; A45-Y55 HydrophobicContact CB-CE1 4.19Å; A45-Y55 HydrophobicContact CB-CG 4.5Å; A45-A76 HydrophobicContact CB-CB 4.18Å; A45-A78 HydrophobicContact CB-CB 3.5Å; A45-A78 VanDerWaalsContact CB-CB 3.5Å
46N98.7Very high98.5Very high71 Ų7157.4 Ų57.438%0.3829%0.286SS..Hα-helixtrans-56.8-47.6176.7-70.4-25.6000112A42 R43 Q48 H49 E50 A76A42-N46 PolarHBondContact O-N 2.88Å; A42-N46 PolarHBondContact O-ND2 2.9Å; R43-N46 PolarHBondContact O-N 2.81Å; N46-Q48 VanDerWaalsContact C-N 3.33Å; N46-Q48 PolarHBondContact O-N 3.36Å; N46-H49 PolarHBondContact O-N 3.46Å; N46-E50 WeakPolarHBondContact O-CB 3.18Å; N46-E50 WeakPolarHBondContact O-CG 3.36Å; N46-E50 PolarHBondContact O-N 2.88Å; N46-A76 WeakPolarHBondContact OD1-CA 3.29Å; N46-A76 WeakPolarHBondContact OD1-CB 3.34Å
47E98.4Very high98.5Very high101 Ų10156.3 Ų56.347%0.47228%0.278SS..Hα-helixtrans-59.4-41.8177.7-71.2168.6-173.400112.2R43 R44 A45 A51R43-E47 WeakPolarHBondContact CG-OE1 3.12Å; R43-E47 WeakPolarHBondContact O-CG 3.32Å; R43-E47 PolarHBondContact O-N 2.92Å; R44-E47 PolarHBondContact O-N 3.47Å; A45-E47 PolarHBondContact O-N 2.87Å; E47-A51 WeakPolarHBondContact O-CB 3.45Å; E47-A51 PolarHBondContact O-N 3.31Å; E47-A51 VanDerWaalsContact O-N 3.15Å
48Q98.5Very high98.5Very high42 Ų4260.2 Ų60.220%0.19629%0.292CS..Hα-helixtrans-67.2-42.9176.3-67.4-58.7-48.800111.5R44 A45 N46 A51 K52 K53 Y55R44-Q48 VanDerWaalsContact O-CG 3.29Å; R44-Q48 WeakPolarHBondContact O-CG 3.36Å; R44-Q48 PolarHBondContact O-N 2.86Å; A45-Q48 PolarHBondContact O-N 2.82Å; N46-Q48 VanDerWaalsContact C-N 3.33Å; N46-Q48 PolarHBondContact O-N 3.36Å; Q48-A51 CarbonylContact O-C 3.43Å; Q48-A51 WeakPolarHBondContact O-CA 3.4Å; Q48-A51 WeakPolarHBondContact O-CB 3.31Å; Q48-A51 PolarHBondContact O-N 2.83Å; Q48-K52 PolarHBondContact O-N 2.92Å; Q48-K53 CarbonylContact C-O 3.52Å; Q48-K53 HydrophobicContact CB-CB 4.27Å; Q48-K53 WeakPolarHBondContact O-CA 3.48Å; Q48-K53 WeakPolarHBondContact O-CB 3.46Å; Q48-K53 PolarHBondContact O-N 3.07Å; Q48-K53 VanDerWaalsContact O-O 3.12Å; Q48-Y55 HydrophobicContact CB-CG 4.26Å; Q48-Y55 HydrophobicContact CG-CD2 3.9Å; Q48-Y55 HydrophobicContact CG-CG 4.04Å
49H98.5Very high98.6Very high61 Ų6160.1 Ų60.128%0.28229%0.292SS..Hα-helixtrans-66.9-40.8-179.7-64.3175.1000112.1A45 N46 A51 K52 Y55 A76A45-H49 WeakPolarHBondContact O-CB 3.43Å; A45-H49 PolarHBondContact O-CD2 3.49Å; A45-H49 VanDerWaalsContact O-CD2 3.22Å; A45-H49 PolarHBondContact O-N 3.29Å; N46-H49 PolarHBondContact O-N 3.46Å; H49-A51 PolarHBondContact O-N 2.84Å; H49-K52 WeakPolarHBondContact O-CA 3.49Å; H49-K52 PolarHBondContact O-N 2.71Å; H49-Y55 PolarHBondContact NE2-O 2.97Å; H49-A76 PolarHBondContact CE1-O 3.26Å
50E98.4Very high98.6Very high164 Ų16457 Ų5777%0.76627%0.273SS*.Hα-helixtrans-58.5-39171.8-76.1177.8-175.500111.3N46 K52N46-E50 WeakPolarHBondContact O-CB 3.18Å; N46-E50 WeakPolarHBondContact O-CG 3.36Å; N46-E50 PolarHBondContact O-N 2.88Å; E50-K52 PolarHBondContact O-N 3.43Å
51A98.3Very high98.5Very high58 Ų5856.9 Ų56.948%0.47927%0.271SS..THydrogen-bonded Turntrans-76.68.2172.200000114.1E47 Q48 H49 K53E47-A51 WeakPolarHBondContact O-CB 3.45Å; E47-A51 PolarHBondContact O-N 3.31Å; E47-A51 VanDerWaalsContact O-N 3.15Å; Q48-A51 CarbonylContact O-C 3.43Å; Q48-A51 WeakPolarHBondContact O-CA 3.4Å; Q48-A51 WeakPolarHBondContact O-CB 3.31Å; Q48-A51 PolarHBondContact O-N 2.83Å; H49-A51 PolarHBondContact O-N 2.84Å; A51-K53 HydrophobicContact CB-CD 4.48Å; A51-K53 PolarHBondContact O-N 2.78Å
52K98.3Very high98.4Very high198 Ų19856.9 Ų56.986%0.86127%0.272SS*.THydrogen-bonded Turntrans57.530.4-178.1-56179.9-179.9178.10113.9Q48 H49 E50Q48-K52 PolarHBondContact O-N 2.92Å; H49-K52 WeakPolarHBondContact O-CA 3.49Å; H49-K52 PolarHBondContact O-N 2.71Å; E50-K52 PolarHBondContact O-N 3.43Å
53K98.5Very high98.3Very high117 Ų11756.9 Ų56.951%0.50927%0.272SS..  trans-104.5139.4174.4-66.2174.3-178.6176.20109.6Q48 A51Q48-K53 CarbonylContact C-O 3.52Å; Q48-K53 HydrophobicContact CB-CB 4.27Å; Q48-K53 WeakPolarHBondContact O-CA 3.48Å; Q48-K53 WeakPolarHBondContact O-CB 3.46Å; Q48-K53 PolarHBondContact O-N 3.07Å; Q48-K53 VanDerWaalsContact O-O 3.12Å; A51-K53 HydrophobicContact CB-CD 4.48Å; A51-K53 PolarHBondContact O-N 2.78Å
54P98.2Very high98Very high90 Ų9052 Ų5258%0.58425%0.254SS*.  trans-69.9135.9175.930.9-34.8000110
55Y98.8Very high97.8Very high5 Ų550.3 Ų50.32%0.0225%0.248CC..  trans-149.7110.9171.5-169.5-84.7000111.1I17 H19 I41 R44 A45 Q48 H49 I57I17-Y55 WeakPolarHBondContact O-CE2 3.35Å; I17-Y55 PolarHBondContact O-OH 3.43Å; H19-Y55 HydrophobicContact CB-CD2 4.18Å; I41-Y55 HydrophobicContact CG2-CE1 4.1Å; R44-Y55 HydrophobicContact CG-CE1 4.4Å; R44-Y55 HydrophobicContact CG-CE2 4.09Å; A45-Y55 HydrophobicContact CB-CD1 3.59Å; A45-Y55 HydrophobicContact CB-CE1 4.19Å; A45-Y55 HydrophobicContact CB-CG 4.5Å; Q48-Y55 HydrophobicContact CB-CG 4.26Å; Q48-Y55 HydrophobicContact CG-CD2 3.9Å; Q48-Y55 HydrophobicContact CG-CG 4.04Å; H49-Y55 PolarHBondContact NE2-O 2.97Å; Y55-I57 HydrophobicContact CE1-CG2 4.5Å
56Q98.8Very high97.5Very high56 Ų5651 Ų5126%0.26225%0.253SS..  trans-151.4142.3179-75.8-173.3-36.800108.7H19 N20 D77 A78H19-Q56 PolarHBondContact ND1-N 3.04Å; H19-Q56 PolarHBondContact ND1-O 3.31Å; N20-Q56 PolarHBondContact N-O 2.85Å; Q56-D77 WeakPolarHBondContact CG-O 3.2Å; Q56-D77 PolarHBondContact NE2-O 3.09Å; Q56-A78 CarbonylContact C-O 3.44Å; Q56-A78 VanDerWaalsContact CA-O 3.27Å; Q56-A78 WeakPolarHBondContact CA-O 3.34Å
57I98.9Very high97.2Very high0 Ų049.6 Ų49.60%025%0.251CS..EExtended strand (participates in β ladder)trans-107.6158.2174.260.8164000110.8I17 V23 I41 Y55 L59 A78 V79 S80I17-I57 HydrophobicContact CG2-CG2 3.66Å; V23-I57 HydrophobicContact CB-CD1 3.97Å; V23-I57 HydrophobicContact CG1-CD1 4.38Å; V23-I57 HydrophobicContact CG2-CB 3.89Å; V23-I57 HydrophobicContact CG2-CD1 4.03Å; V23-I57 HydrophobicContact CG2-CG2 3.85Å; I41-I57 HydrophobicContact CG2-CD1 4.33Å; Y55-I57 HydrophobicContact CE1-CG2 4.5Å; I57-L59 HydrophobicContact CD1-CB 4.36Å; I57-L59 HydrophobicContact CD1-CD1 4.44Å; I57-A78 WeakPolarHBondContact CG1-O 3.3Å; I57-A78 PolarHBondContact N-O 2.92Å; I57-V79 HydrophobicContact CG1-CG2 4.41Å; I57-V79 WeakPolarHBondContact O-CA 3.36Å; I57-S80 PolarHBondContact O-N 3.3Å; I57-S80 PolarHBondContact O-OG 3.26Å
58R98.8Very high96.9Very high81 Ų8148.1 Ų48.131%0.30626%0.256SS..EExtended strand (participates in β ladder)trans-96.6117.5165.2-59.1178.4-72.1151.63.2107.1N20 D21 M22 V23 W81N20-R58 PolarHBondContact O-NE 2.86Å; N20-R58 VanDerWaalsContact O-NE 3.1Å; N20-R58 PolarHBondContact O-NH2 2.79Å; D21-R58 PolarHBondContact O-N 2.95Å; M22-R58 WeakPolarHBondContact CA-O 3.35Å; M22-R58 HydrophobicContact CE-CB 3.89Å; M22-R58 HydrophobicContact SD-CB 3.88Å; V23-R58 PolarHBondContact N-O 3.18Å; R58-W81 CarbonylContact C-O 3.59Å; R58-W81 WeakPolarHBondContact CA-O 3.49Å; R58-W81 HydrophobicContact CB-CB 4.11Å; R58-W81 HydrophobicContact CB-CE3 4.15Å; R58-W81 HydrophobicContact CG-CB 3.92Å
59L98.6Very high96.8Very high0 Ų046.4 Ų46.40%025%0.249CC..EExtended strand (participates in β ladder)trans-105.5119.1-169.7-179.558.6000112.1V23 F25 I57 T61 L73 V79 W81 R82 A83V23-L59 WeakPolarHBondContact O-CA 3.3Å; F25-L59 HydrophobicContact CB-CD1 4.45Å; F25-L59 HydrophobicContact CD1-CD1 4.01Å; F25-L59 HydrophobicContact CD2-CD1 3.66Å; F25-L59 HydrophobicContact CD2-CD2 4.38Å; F25-L59 HydrophobicContact CE1-CD1 4.17Å; F25-L59 HydrophobicContact CE2-CD1 3.79Å; F25-L59 HydrophobicContact CE2-CD2 4.24Å; F25-L59 HydrophobicContact CG-CD1 3.77Å; F25-L59 HydrophobicContact CZ-CD1 4.05Å; I57-L59 HydrophobicContact CD1-CB 4.36Å; I57-L59 HydrophobicContact CD1-CD1 4.44Å; L59-T61 HydrophobicContact CD1-CG2 4.17Å; L59-T61 HydrophobicContact CG-CG2 4.08Å; L59-L73 HydrophobicContact CD2-CD1 3.89Å; L59-V79 HydrophobicContact CB-CG1 4.22Å; L59-W81 PolarHBondContact N-O 2.88Å; L59-R82 WeakPolarHBondContact O-CA 3.38Å; L59-A83 PolarHBondContact O-N 3.24Å
60L98.4Very high96.7Very high0 Ų043.5 Ų43.50%024%0.236CC..EExtended strand (participates in β ladder)trans-113.2143175.3-167.159.7000110.2M22 V23 A24 F25 W81 A83 V110 V114 F119 W150M22-L60 HydrophobicContact SD-CB 4.07Å; V23-L60 PolarHBondContact O-N 3.3Å; A24-L60 CarbonylContact C-O 3.55Å; A24-L60 VanDerWaalsContact CA-O 3.25Å; A24-L60 WeakPolarHBondContact CA-O 3.49Å; A24-L60 HydrophobicContact CB-CB 4.5Å; F25-L60 PolarHBondContact N-O 2.76Å; L60-W81 HydrophobicContact CB-CZ3 4.49Å; L60-W81 HydrophobicContact CD1-CH2 4.16Å; L60-W81 HydrophobicContact CD1-CZ3 4.16Å; L60-A83 WeakPolarHBondContact CA-O 3.28Å; L60-A83 HydrophobicContact CD1-CB 3.77Å; L60-V110 HydrophobicContact CD1-CG1 4.18Å; L60-V114 HydrophobicContact CD2-CG2 3.85Å; L60-F119 HydrophobicContact CD2-CD2 4.27Å; L60-W150 HydrophobicContact CB-CH2 4.39Å; L60-W150 HydrophobicContact CD1-CH2 4.2Å; L60-W150 HydrophobicContact CD2-CE3 4.47Å; L60-W150 HydrophobicContact CD2-CH2 3.15Å; L60-W150 HydrophobicContact CD2-CZ2 4.05Å; L60-W150 HydrophobicContact CD2-CZ3 3.37Å; L60-W150 HydrophobicContact CG-CH2 3.29Å; L60-W150 HydrophobicContact CG-CZ2 3.71Å; L60-W150 HydrophobicContact CG-CZ3 3.99Å
61T98.3Very high96.6Very high0 Ų037.4 Ų37.40%021%0.209CC..  trans-146.8173.8-171.754.80000111F25 L59 A63 I65 R82 A83 P84 N146 W150F25-T61 HydrophobicContact CB-CG2 4.25Å; L59-T61 HydrophobicContact CD1-CG2 4.17Å; L59-T61 HydrophobicContact CG-CG2 4.08Å; T61-A63 WeakPolarHBondContact CB-O 3.36Å; T61-A63 PolarHBondContact OG1-O 2.98Å; T61-I65 HydrophobicContact CG2-CG2 3.87Å; T61-R82 PolarHBondContact OG1-NH1 2.73Å; T61-A83 PolarHBondContact N-O 3.45Å; T61-A83 VanDerWaalsContact N-O 3.16Å; T61-A83 PolarHBondContact OG1-O 2.84Å; T61-P84 WeakPolarHBondContact O-CD 3.33Å; T61-P84 WeakPolarHBondContact OG1-CD 3.32Å; T61-N146 PolarHBondContact O-ND2 3.3Å; T61-W150 WeakPolarHBondContact O-CZ2 3.34Å
62G96.6Very high96.5Very high1 Ų136.6 Ų36.61%0.0120%0.197CC..SBendtrans-67.9-54170.600000112.5G27 P84G27-G62 WeakPolarHBondContact O-CA 3.21Å; G27-G62 PolarHBondContact O-N 3.32Å; G62-P84 WeakPolarHBondContact O-CG 3.42Å
63A94.8Very high96.5Very high3 Ų327.1 Ų27.13%0.02516%0.156CC..SBendtrans-148.7-129174.800000108.4F28 T61 Y85 L107F28-A63 HydrophobicContact CD1-CB 4.3Å; F28-A63 HydrophobicContact CD2-CB 3.61Å; F28-A63 HydrophobicContact CE1-CB 4.24Å; F28-A63 HydrophobicContact CE2-CB 3.6Å; F28-A63 HydrophobicContact CG-CB 3.98Å; F28-A63 HydrophobicContact CZ-CB 3.91Å; T61-A63 WeakPolarHBondContact CB-O 3.36Å; T61-A63 PolarHBondContact OG1-O 2.98Å; A63-Y85 CarbonylContact C-O 3.37Å; A63-L107 HydrophobicContact CB-CD1 4.03Å; A63-L107 HydrophobicContact CB-CD2 4.15Å
64S92.4Very high96.5Very high7 Ų721.7 Ų21.75%0.04913%0.133CC..  trans-68.9155.8162.348.20000109.9T29T29-S64 CarbonylContact C-O 3.47Å; T29-S64 VanDerWaalsContact CA-O 3.25Å; T29-S64 WeakPolarHBondContact CA-O 3.32Å; T29-S64 WeakPolarHBondContact CA-OG 3.39Å; T29-S64 PolarHBondContact N-O 2.82Å
65I94.1Very high96.5Very high1 Ų123 Ų231%0.00514%0.135CC..  trans-104.9-168.2160.756.8176.7000107.9F25 T29 T61 A67 A69 D70F25-I65 HydrophobicContact CD2-CD1 4.03Å; F25-I65 HydrophobicContact CE2-CD1 4.46Å; T29-I65 WeakPolarHBondContact O-CA 3.37Å; T61-I65 HydrophobicContact CG2-CG2 3.87Å; I65-A67 PolarHBondContact O-N 3.03Å; I65-A69 HydrophobicContact CD1-CB 3.67Å; I65-A69 HydrophobicContact CG1-CB 4.2Å; I65-D70 HydrophobicContact CG1-CB 4.44Å; I65-D70 WeakPolarHBondContact CG1-OD2 3.23Å
66S92.5Very high96.5Very high15 Ų1522.9 Ų22.911%0.10514%0.135CC..  trans-59138.3170.577.30000110.7A68 A69 D70S66-A68 PolarHBondContact O-N 3.42Å; S66-A69 PolarHBondContact O-N 2.99Å; S66-A69 VanDerWaalsContact OG-CB 3.22Å; S66-A69 WeakPolarHBondContact OG-CB 3.44Å; S66-A69 PolarHBondContact OG-N 3.18Å; S66-A69 VanDerWaalsContact OG-N 3.14Å; S66-D70 PolarHBondContact O-N 2.81Å
67A92.3Very high96.5Very high42 Ų4223.8 Ų23.835%0.34714%0.141SC..Hα-helixtrans-56.6-39.2177.600000111I65 A69 D70 D71I65-A67 PolarHBondContact O-N 3.03Å; A67-A69 VanDerWaalsContact C-N 3.31Å; A67-A69 PolarHBondContact O-N 3.15Å; A67-D70 PolarHBondContact O-N 3.19Å; A67-D71 VanDerWaalsContact O-CB 3.24Å; A67-D71 WeakPolarHBondContact O-CB 3.42Å; A67-D71 PolarHBondContact O-N 2.85Å; A67-D71 VanDerWaalsContact O-OD2 3.07Å
68A92.7Very high96.5Very high69 Ų6923.8 Ų23.857%0.5714%0.141SC*.Hα-helixtrans-59.6-36.617600000113.6S66 V72S66-A68 PolarHBondContact O-N 3.42Å; A68-V72 WeakPolarHBondContact O-CB 3.46Å; A68-V72 WeakPolarHBondContact O-CG1 3.48Å; A68-V72 PolarHBondContact O-N 3.39Å
69A95.9Very high96.5Very high6 Ų620 Ų205%0.0513%0.128CC..Hα-helixtrans-71.1-43.1176.800000112.2P38 I65 S66 A67 V72 L73P38-A69 HydrophobicContact CB-CB 3.83Å; P38-A69 HydrophobicContact CG-CB 3.84Å; I65-A69 HydrophobicContact CD1-CB 3.67Å; I65-A69 HydrophobicContact CG1-CB 4.2Å; S66-A69 PolarHBondContact O-N 2.99Å; S66-A69 VanDerWaalsContact OG-CB 3.22Å; S66-A69 WeakPolarHBondContact OG-CB 3.44Å; S66-A69 PolarHBondContact OG-N 3.18Å; S66-A69 VanDerWaalsContact OG-N 3.14Å; A67-A69 VanDerWaalsContact C-N 3.31Å; A67-A69 PolarHBondContact O-N 3.15Å; A69-V72 WeakPolarHBondContact O-CG1 3.17Å; A69-L73 WeakPolarHBondContact O-CD1 3.23Å; A69-L73 WeakPolarHBondContact O-CG 3.15Å; A69-L73 PolarHBondContact O-N 3.29Å
70D96.9Very high96.5Very high1 Ų121.3 Ų21.31%0.00514%0.136CC..Hα-helixtrans-66.9-37.6173-87.2-42.4000111I65 S66 A67 S74 R82 S88 L91I65-D70 HydrophobicContact CG1-CB 4.44Å; I65-D70 WeakPolarHBondContact CG1-OD2 3.23Å; S66-D70 PolarHBondContact O-N 2.81Å; A67-D70 PolarHBondContact O-N 3.19Å; D70-S74 VanDerWaalsContact O-CB 3.22Å; D70-S74 WeakPolarHBondContact O-CB 3.27Å; D70-S74 PolarHBondContact O-N 3.19Å; D70-R82 IonicContact OD1-CZ 3.06Å; D70-R82 IonicContact OD1-NE 3.96Å; D70-R82 PolarHBondContact OD1-NE 3.49Å; D70-R82 IonicContact OD1-NH2 2.64Å; D70-R82 PolarHBondContact OD1-NH2 3.25Å; D70-R82 IonicContact OD2-CZ 3.62Å; D70-R82 IonicContact OD2-NE 3.43Å; D70-R82 IonicContact OD2-NH2 3.99Å; D70-R82 PolarHBondContact OD2-NH2 2.86Å; D70-S88 VanDerWaalsContact CB-CB 3.45Å; D70-L91 HydrophobicContact CB-CB 4.43Å; D70-L91 HydrophobicContact CB-CD2 3.9Å; D70-L91 WeakPolarHBondContact OD1-CD2 3.32Å
71D96Very high96.5Very high36 Ų3623.6 Ų23.619%0.19315%0.145CC..Hα-helixtrans-66.5-46.6179.9-75.1-35.1000111.5A67 L73 S74 D75 S88 G90A67-D71 VanDerWaalsContact O-CB 3.24Å; A67-D71 WeakPolarHBondContact O-CB 3.42Å; A67-D71 PolarHBondContact O-N 2.85Å; A67-D71 VanDerWaalsContact O-OD2 3.07Å; D71-L73 VanDerWaalsContact C-N 3.3Å; D71-L73 PolarHBondContact O-N 3.35Å; D71-S74 CarbonylContact O-C 3.58Å; D71-S74 WeakPolarHBondContact O-CB 3.34Å; D71-S74 PolarHBondContact O-N 3.11Å; D71-S74 VanDerWaalsContact O-N 3.15Å; D71-D75 WeakPolarHBondContact O-CB 3.36Å; D71-D75 VanDerWaalsContact O-CG 3.32Å; D71-D75 PolarHBondContact O-N 3.23Å; D71-S88 VanDerWaalsContact OD1-CB 3.3Å; D71-S88 WeakPolarHBondContact OD1-CB 3.25Å; D71-S88 PolarHBondContact OD1-OG 3.31Å; D71-G90 PolarHBondContact OD1-N 3.19Å
72V97.5Very high96.5Very high40 Ų4023.6 Ų23.624%0.24215%0.145CC..Hα-helixtrans-64.1-36.5-179.774.40000112.2P38 A42 A68 A69 A76P38-V72 HydrophobicContact CB-CG1 4.17Å; A42-V72 HydrophobicContact CB-CG1 4.41Å; A42-V72 HydrophobicContact CB-CG2 3.84Å; A42-V72 WeakPolarHBondContact CB-O 3.31Å; A68-V72 WeakPolarHBondContact O-CB 3.46Å; A68-V72 WeakPolarHBondContact O-CG1 3.48Å; A68-V72 PolarHBondContact O-N 3.39Å; A69-V72 WeakPolarHBondContact O-CG1 3.17Å; V72-A76 PolarHBondContact O-N 3.38Å
73L98.5Very high96.5Very high0 Ų023.6 Ų23.60%015%0.145CC..Hα-helixtrans-70.9-39.6174.5-71.4173.5000111.7F25 P38 I41 A42 L59 A69 D71 A78 V79F25-L73 HydrophobicContact CE2-CD1 3.96Å; F25-L73 HydrophobicContact CZ-CD1 4.45Å; P38-L73 HydrophobicContact CB-CD1 4.23Å; P38-L73 HydrophobicContact CB-CG 4.27Å; P38-L73 VanDerWaalsContact O-CD2 3.29Å; P38-L73 WeakPolarHBondContact O-CD2 3.42Å; I41-L73 HydrophobicContact CB-CD2 3.94Å; I41-L73 HydrophobicContact CG2-CD2 3.72Å; A42-L73 HydrophobicContact CB-CD2 4.36Å; L59-L73 HydrophobicContact CD2-CD1 3.89Å; A69-L73 WeakPolarHBondContact O-CD1 3.23Å; A69-L73 WeakPolarHBondContact O-CG 3.15Å; A69-L73 PolarHBondContact O-N 3.29Å; D71-L73 VanDerWaalsContact C-N 3.3Å; D71-L73 PolarHBondContact O-N 3.35Å; L73-A78 HydrophobicContact CD2-CB 4.2Å; L73-A78 WeakPolarHBondContact O-CB 3.29Å; L73-A78 PolarHBondContact O-N 2.71Å; L73-V79 HydrophobicContact CB-CG2 3.84Å; L73-V79 HydrophobicContact CD1-CG2 4.43Å
74S97.8Very high96.7Very high2 Ų223.5 Ų23.51%0.01414%0.144CC..Hα-helixtrans-60.6-51.8173.6166.80000110.5D70 D71 A76 D77 G90 L91 K94D70-S74 VanDerWaalsContact O-CB 3.22Å; D70-S74 WeakPolarHBondContact O-CB 3.27Å; D70-S74 PolarHBondContact O-N 3.19Å; D71-S74 CarbonylContact O-C 3.58Å; D71-S74 WeakPolarHBondContact O-CB 3.34Å; D71-S74 PolarHBondContact O-N 3.11Å; D71-S74 VanDerWaalsContact O-N 3.15Å; S74-A76 PolarHBondContact O-N 3.07Å; S74-D77 PolarHBondContact O-N 2.98Å; S74-G90 VanDerWaalsContact OG-C 3.28Å; S74-G90 PolarHBondContact OG-O 2.82Å; S74-L91 PolarHBondContact OG-N 3.48Å; S74-K94 VanDerWaalsContact O-CE 3.23Å; S74-K94 WeakPolarHBondContact O-CE 3.48Å; S74-K94 PolarHBondContact O-NZ 2.94Å; S74-K94 WeakPolarHBondContact OG-CD 3.5Å
75D98.2Very high96.9Very high118 Ų11828 Ų2863%0.63116%0.161SC*.Hα-helixtrans-59.9-34.1-176.6-72.9-13.1000112.7D71 D77D71-D75 WeakPolarHBondContact O-CB 3.36Å; D71-D75 VanDerWaalsContact O-CG 3.32Å; D71-D75 PolarHBondContact O-N 3.23Å; D75-D77 PolarHBondContact O-N 3.37Å
76A98.5Very high97Very high2 Ų229 Ų292%0.01717%0.165CC..THydrogen-bonded Turntrans-82.710.6175.300000114.5A42 A45 N46 H49 V72 S74 A78A42-A76 HydrophobicContact CB-CB 3.69Å; A42-A76 WeakPolarHBondContact O-CB 3.49Å; A45-A76 HydrophobicContact CB-CB 4.18Å; N46-A76 WeakPolarHBondContact OD1-CA 3.29Å; N46-A76 WeakPolarHBondContact OD1-CB 3.34Å; H49-A76 PolarHBondContact CE1-O 3.26Å; V72-A76 PolarHBondContact O-N 3.38Å; S74-A76 PolarHBondContact O-N 3.07Å; A76-A78 HydrophobicContact CB-CB 4.26Å; A76-A78 PolarHBondContact O-N 3Å
77D98.5Very high97.1Very high75 Ų7530.9 Ų30.940%0.40118%0.176SC..THydrogen-bonded Turntrans50.233.1-176-81.9-63.3000112.8Q56 S74 D75 K94Q56-D77 WeakPolarHBondContact CG-O 3.2Å; Q56-D77 PolarHBondContact NE2-O 3.09Å; S74-D77 PolarHBondContact O-N 2.98Å; D75-D77 PolarHBondContact O-N 3.37Å; D77-K94 IonicContact OD1-NZ 3.8Å; D77-K94 PolarHBondContact OD1-NZ 2.77Å; D77-K94 IonicContact OD2-NZ 2.76Å; D77-K94 PolarHBondContact OD2-NZ 2.98Å; D77-K94 VanDerWaalsContact OD2-NZ 3.11Å
78A98.7Very high97.2Very high0 Ų028.9 Ų28.90%016%0.16CC..  trans-92-1.4-166.300000114.1A45 Q56 I57 L73 A76A45-A78 HydrophobicContact CB-CB 3.5Å; A45-A78 VanDerWaalsContact CB-CB 3.5Å; Q56-A78 CarbonylContact C-O 3.44Å; Q56-A78 VanDerWaalsContact CA-O 3.27Å; Q56-A78 WeakPolarHBondContact CA-O 3.34Å; I57-A78 WeakPolarHBondContact CG1-O 3.3Å; I57-A78 PolarHBondContact N-O 2.92Å; L73-A78 HydrophobicContact CD2-CB 4.2Å; L73-A78 WeakPolarHBondContact O-CB 3.29Å; L73-A78 PolarHBondContact O-N 2.71Å; A76-A78 HydrophobicContact CB-CB 4.26Å; A76-A78 PolarHBondContact O-N 3Å
79V98.7Very high97.3Very high3 Ų329.5 Ų29.52%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-122124.5-176.5-178.20000109.5I57 L59 L73 W81 R82 V100I57-V79 HydrophobicContact CG1-CG2 4.41Å; I57-V79 WeakPolarHBondContact O-CA 3.36Å; L59-V79 HydrophobicContact CB-CG1 4.22Å; L73-V79 HydrophobicContact CB-CG2 3.84Å; L73-V79 HydrophobicContact CD1-CG2 4.43Å; V79-W81 VanDerWaalsContact CG1-O 3.29Å; V79-W81 WeakPolarHBondContact CG1-O 3.46Å; V79-R82 HydrophobicContact CG1-CB 4.29Å; V79-V100 HydrophobicContact CG1-CG1 3.99Å; V79-V100 WeakPolarHBondContact O-CG2 3.41Å
80S98.5Very high97.2Very high26 Ų2630 Ų3018%0.18217%0.165CC..EExtended strand (participates in β ladder)trans-98.3-27175.157.80000112.9I57 S101I57-S80 PolarHBondContact O-N 3.3Å; I57-S80 PolarHBondContact O-OG 3.26Å; S80-S101 PolarHBondContact O-N 2.89Å
81W98.5Very high97.2Very high49 Ų4930 Ų3019%0.18617%0.165CC..EExtended strand (participates in β ladder)trans-146.1142.5-179.7-177.796.5000111.1M22 R58 L59 L60 V79 A83 S101 V103 F119M22-W81 HydrophobicContact CE-CE3 4.28Å; M22-W81 HydrophobicContact CE-CZ3 4.03Å; M22-W81 HydrophobicContact SD-CE3 4.45Å; M22-W81 HydrophobicContact SD-CZ3 4.08Å; R58-W81 CarbonylContact C-O 3.59Å; R58-W81 WeakPolarHBondContact CA-O 3.49Å; R58-W81 HydrophobicContact CB-CB 4.11Å; R58-W81 HydrophobicContact CB-CE3 4.15Å; R58-W81 HydrophobicContact CG-CB 3.92Å; L59-W81 PolarHBondContact N-O 2.88Å; L60-W81 HydrophobicContact CB-CZ3 4.49Å; L60-W81 HydrophobicContact CD1-CH2 4.16Å; L60-W81 HydrophobicContact CD1-CZ3 4.16Å; V79-W81 VanDerWaalsContact CG1-O 3.29Å; V79-W81 WeakPolarHBondContact CG1-O 3.46Å; W81-A83 HydrophobicContact CE3-CB 4.48Å; W81-A83 HydrophobicContact CH2-CB 3.24Å; W81-A83 HydrophobicContact CZ2-CB 3.75Å; W81-A83 HydrophobicContact CZ3-CB 3.65Å; W81-S101 CarbonylContact C-O 3.57Å; W81-S101 WeakPolarHBondContact CA-O 3.31Å; W81-V103 HydrophobicContact CH2-CG1 4.26Å; W81-V103 HydrophobicContact CZ2-CG1 3.44Å; W81-V103 VanDerWaalsContact CZ2-CG1 3.44Å; W81-F119 AromaticContact CH2-CD1 3.89Å; W81-F119 HydrophobicContact CH2-CD1 3.89Å; W81-F119 HydrophobicContact CH2-CE1 4.16Å; W81-F119 HydrophobicContact CZ2-CD1 4.15Å; W81-F119 HydrophobicContact CZ2-CE1 4.3Å
82R98.3Very high97.3Very high0 Ų033.6 Ų33.60%018%0.176CC..EExtended strand (participates in β ladder)trans-138.1138.3-178-17674.4169.668.55112.3L59 T61 D70 V79 Y85 L91 V100 S101 F102 V103L59-R82 WeakPolarHBondContact O-CA 3.38Å; T61-R82 PolarHBondContact OG1-NH1 2.73Å; D70-R82 IonicContact OD1-CZ 3.06Å; D70-R82 IonicContact OD1-NE 3.96Å; D70-R82 PolarHBondContact OD1-NE 3.49Å; D70-R82 IonicContact OD1-NH2 2.64Å; D70-R82 PolarHBondContact OD1-NH2 3.25Å; D70-R82 IonicContact OD2-CZ 3.62Å; D70-R82 IonicContact OD2-NE 3.43Å; D70-R82 IonicContact OD2-NH2 3.99Å; D70-R82 PolarHBondContact OD2-NH2 2.86Å; V79-R82 HydrophobicContact CG1-CB 4.29Å; R82-Y85 PolarHBondContact NH1-O 3.38Å; R82-Y85 PolarHBondContact NH2-O 3.45Å; R82-L91 HydrophobicContact CG-CD2 3.97Å; R82-V100 HydrophobicContact CB-CG1 4.27Å; R82-S101 PolarHBondContact N-O 2.68Å; R82-F102 HydrophobicContact CB-CD2 3.97Å; R82-F102 HydrophobicContact CG-CD2 4.04Å; R82-F102 HydrophobicContact CG-CE2 4.29Å; R82-F102 WeakPolarHBondContact O-CA 3.18Å; R82-F102 WeakPolarHBondContact O-CD2 3.23Å; R82-V103 PolarHBondContact O-N 3.43Å; R82-V103 VanDerWaalsContact O-N 3.16Å
83A98.3Very high97.4Very high0 Ų037.9 Ų37.90%019%0.192CC..EExtended strand (participates in β ladder)trans-153.5162.5168.700000111.7L59 L60 T61 W81 V103L59-A83 PolarHBondContact O-N 3.24Å; L60-A83 WeakPolarHBondContact CA-O 3.28Å; L60-A83 HydrophobicContact CD1-CB 3.77Å; T61-A83 PolarHBondContact N-O 3.45Å; T61-A83 VanDerWaalsContact N-O 3.16Å; T61-A83 PolarHBondContact OG1-O 2.84Å; W81-A83 HydrophobicContact CE3-CB 4.48Å; W81-A83 HydrophobicContact CH2-CB 3.24Å; W81-A83 HydrophobicContact CZ2-CB 3.75Å; W81-A83 HydrophobicContact CZ3-CB 3.65Å; A83-V103 HydrophobicContact CB-CG1 3.72Å; A83-V103 WeakPolarHBondContact CB-O 3.32Å
84P98Very high97.3Very high1 Ų139.4 Ų39.41%0.00620%0.198CC..SBendcis-101.2-3.9-4.940.8-37.9000113.2T61 G62 D104 L105 L107 V110T61-P84 WeakPolarHBondContact O-CD 3.33Å; T61-P84 WeakPolarHBondContact OG1-CD 3.32Å; G62-P84 WeakPolarHBondContact O-CG 3.42Å; P84-D104 WeakPolarHBondContact O-CA 3.49Å; P84-L105 HydrophobicContact CB-CB 3.9Å; P84-L105 HydrophobicContact CB-CD1 4.38Å; P84-L105 HydrophobicContact CB-CG 4.45Å; P84-L105 PolarHBondContact O-N 3.05Å; P84-L107 HydrophobicContact CB-CD2 4.16Å; P84-L107 HydrophobicContact CG-CD2 3.61Å; P84-V110 HydrophobicContact CB-CG2 3.64Å; P84-V110 HydrophobicContact CG-CG2 3.89Å
85Y97.5Very high97.4Very high103 Ų10340.5 Ų40.540%0.40420%0.204SC..  trans-158.8146.4-175.3-170.5-97.7000109.5A63 R82 T87A63-Y85 CarbonylContact C-O 3.37Å; R82-Y85 PolarHBondContact NH1-O 3.38Å; R82-Y85 PolarHBondContact NH2-O 3.45Å; Y85-T87 HydrophobicContact CD1-CG2 4.32Å; Y85-T87 HydrophobicContact CE1-CG2 3.49Å; Y85-T87 VanDerWaalsContact CE1-CG2 3.49Å
86Q96Very high97.4Very high21 Ų2141.1 Ų41.110%0.09821%0.207CC..  trans-151.9154.5176.360.174.424.400110.4S88 L91 I95 F102Q86-S88 PolarHBondContact OE1-O 2.98Å; Q86-L91 HydrophobicContact CB-CD2 4.11Å; Q86-L91 HydrophobicContact CG-CD2 4.08Å; Q86-I95 HydrophobicContact CG-CD1 3.87Å; Q86-F102 HydrophobicContact CG-CD2 4.32Å; Q86-F102 HydrophobicContact CG-CE2 3.81Å; Q86-F102 HydrophobicContact CG-CZ 4.17Å
87T93.3Very high97.4Very high55 Ų5547.2 Ų47.234%0.33724%0.235SC..  trans-126.8-2.5-17950.90000113.9Y85 R92Y85-T87 HydrophobicContact CD1-CG2 4.32Å; Y85-T87 HydrophobicContact CE1-CG2 3.49Å; Y85-T87 VanDerWaalsContact CE1-CG2 3.49Å; T87-R92 PolarHBondContact O-NH2 2.76Å
88S94.7Very high97.3Very high0 Ų046.8 Ų46.80%025%0.248CC..  trans-63.1143.6-179.5140.10000110.8D70 D71 Q86 G90 L91 R92D70-S88 VanDerWaalsContact CB-CB 3.45Å; D71-S88 VanDerWaalsContact OD1-CB 3.3Å; D71-S88 WeakPolarHBondContact OD1-CB 3.25Å; D71-S88 PolarHBondContact OD1-OG 3.31Å; Q86-S88 PolarHBondContact OE1-O 2.98Å; S88-G90 PolarHBondContact OG-N 2.92Å; S88-L91 WeakPolarHBondContact OG-CB 3.4Å; S88-L91 PolarHBondContact OG-N 3.3Å; S88-R92 WeakPolarHBondContact O-CB 3.49Å; S88-R92 PolarHBondContact O-N 3.21Å; S88-R92 PolarHBondContact O-NH2 3.08Å; S88-R92 VanDerWaalsContact O-NH2 3.16Å
89S95Very high97.3Very high82 Ų8249.5 Ų49.557%0.57327%0.271SS*.Hα-helixtrans-78.5-40.6176.157.50000111.1K93S89-K93 PolarHBondContact O-N 3.45Å
90G94.2Very high97.3Very high16 Ų1649.7 Ų49.717%0.16527%0.272CS..Hα-helixtrans-63-51.7178.300000112D71 S74 S88 R92 K93 K94D71-G90 PolarHBondContact OD1-N 3.19Å; S74-G90 VanDerWaalsContact OG-C 3.28Å; S74-G90 PolarHBondContact OG-O 2.82Å; S88-G90 PolarHBondContact OG-N 2.92Å; G90-R92 PolarHBondContact O-N 3.4Å; G90-K93 WeakPolarHBondContact O-CB 3.33Å; G90-K93 PolarHBondContact O-N 3.06Å; G90-K93 VanDerWaalsContact O-N 3.15Å; G90-K94 PolarHBondContact O-N 2.82Å; G90-K94 VanDerWaalsContact O-N 3.14Å
91L97.3Very high97.3Very high0 Ų052 Ų520%029%0.288CS..Hα-helixtrans-64-43.6179.8-174.158.7000111.6D70 S74 R82 Q86 S88 K93 K94 I95 V100D70-L91 HydrophobicContact CB-CB 4.43Å; D70-L91 HydrophobicContact CB-CD2 3.9Å; D70-L91 WeakPolarHBondContact OD1-CD2 3.32Å; S74-L91 PolarHBondContact OG-N 3.48Å; R82-L91 HydrophobicContact CG-CD2 3.97Å; Q86-L91 HydrophobicContact CB-CD2 4.11Å; Q86-L91 HydrophobicContact CG-CD2 4.08Å; S88-L91 WeakPolarHBondContact OG-CB 3.4Å; S88-L91 PolarHBondContact OG-N 3.3Å; L91-K93 VanDerWaalsContact C-N 3.25Å; L91-K93 PolarHBondContact O-N 2.88Å; L91-K94 PolarHBondContact O-N 3.1Å; L91-K94 VanDerWaalsContact O-N 3.11Å; L91-I95 HydrophobicContact CD1-CD1 4.4Å; L91-I95 HydrophobicContact CD1-CG1 4.47Å; L91-I95 HydrophobicContact CD2-CD1 4.48Å; L91-I95 HydrophobicContact CG-CD1 3.86Å; L91-I95 HydrophobicContact CG-CG1 4.39Å; L91-I95 VanDerWaalsContact O-CG1 3.29Å; L91-I95 WeakPolarHBondContact O-CG1 3.32Å; L91-I95 PolarHBondContact O-N 2.99Å; L91-V100 HydrophobicContact CD1-CB 4.46Å; L91-V100 HydrophobicContact CD1-CG1 4.23Å; L91-V100 HydrophobicContact CD1-CG2 4.12Å
92R97.9Very high97.3Very high112 Ų11252.6 Ų52.642%0.42329%0.292SS..Hα-helixtrans-57.3-38.4174.5174.3169.536.4-149-21.4112.4T87 S88 G90 N96T87-R92 PolarHBondContact O-NH2 2.76Å; S88-R92 WeakPolarHBondContact O-CB 3.49Å; S88-R92 PolarHBondContact O-N 3.21Å; S88-R92 PolarHBondContact O-NH2 3.08Å; S88-R92 VanDerWaalsContact O-NH2 3.16Å; G90-R92 PolarHBondContact O-N 3.4Å; R92-N96 WeakPolarHBondContact O-CB 3.43Å; R92-N96 VanDerWaalsContact O-CG 3.23Å; R92-N96 PolarHBondContact O-N 2.85Å; R92-N96 PolarHBondContact O-ND2 3.25Å
93K98.2Very high97.3Very high131 Ų13154.9 Ų54.957%0.5731%0.306SS*.Hα-helixtrans-62.3-47.9174.9-176.1-175.5177.8-173.60110.9S89 G90 L91 I95 N96 Q97S89-K93 PolarHBondContact O-N 3.45Å; G90-K93 WeakPolarHBondContact O-CB 3.33Å; G90-K93 PolarHBondContact O-N 3.06Å; G90-K93 VanDerWaalsContact O-N 3.15Å; L91-K93 VanDerWaalsContact C-N 3.25Å; L91-K93 PolarHBondContact O-N 2.88Å; K93-I95 PolarHBondContact O-N 3.09Å; K93-N96 PolarHBondContact O-N 2.9Å; K93-Q97 VanDerWaalsContact O-CG 3.24Å; K93-Q97 WeakPolarHBondContact O-CG 3.38Å; K93-Q97 PolarHBondContact O-N 3.19Å
94K98.1Very high97.2Very high32 Ų3260.4 Ų60.414%0.13934%0.335CS..Hα-helixtrans-64.8-38.4179.2-64.8-161.6175.4-165.70112.7S74 D77 G90 L91 Q97 G98 A99 V100S74-K94 VanDerWaalsContact O-CE 3.23Å; S74-K94 WeakPolarHBondContact O-CE 3.48Å; S74-K94 PolarHBondContact O-NZ 2.94Å; S74-K94 WeakPolarHBondContact OG-CD 3.5Å; D77-K94 IonicContact OD1-NZ 3.8Å; D77-K94 PolarHBondContact OD1-NZ 2.77Å; D77-K94 IonicContact OD2-NZ 2.76Å; D77-K94 PolarHBondContact OD2-NZ 2.98Å; D77-K94 VanDerWaalsContact OD2-NZ 3.11Å; G90-K94 PolarHBondContact O-N 2.82Å; G90-K94 VanDerWaalsContact O-N 3.14Å; L91-K94 PolarHBondContact O-N 3.1Å; L91-K94 VanDerWaalsContact O-N 3.11Å; K94-Q97 PolarHBondContact O-N 2.86Å; K94-G98 PolarHBondContact O-N 3.39Å; K94-A99 HydrophobicContact CB-CB 4.27Å; K94-A99 PolarHBondContact O-N 2.81Å; K94-V100 HydrophobicContact CB-CG2 3.86Å; K94-V100 PolarHBondContact O-N 2.88Å
95I98.6Very high97.2Very high25 Ų2562.3 Ų62.313%0.12835%0.345CS..Hα-helixtrans-59.9-51.3172.8-69.4166.7000110.5Q86 L91 K93 Q97 G98 V100 F102Q86-I95 HydrophobicContact CG-CD1 3.87Å; L91-I95 HydrophobicContact CD1-CD1 4.4Å; L91-I95 HydrophobicContact CD1-CG1 4.47Å; L91-I95 HydrophobicContact CD2-CD1 4.48Å; L91-I95 HydrophobicContact CG-CD1 3.86Å; L91-I95 HydrophobicContact CG-CG1 4.39Å; L91-I95 VanDerWaalsContact O-CG1 3.29Å; L91-I95 WeakPolarHBondContact O-CG1 3.32Å; L91-I95 PolarHBondContact O-N 2.99Å; K93-I95 PolarHBondContact O-N 3.09Å; I95-Q97 PolarHBondContact O-N 3.27Å; I95-Q97 VanDerWaalsContact O-N 3.15Å; I95-G98 PolarHBondContact O-N 2.98Å; I95-V100 HydrophobicContact CG1-CB 3.94Å; I95-V100 HydrophobicContact CG1-CG1 4.17Å; I95-F102 HydrophobicContact CB-CB 4.34Å; I95-F102 HydrophobicContact CD1-CB 3.76Å; I95-F102 HydrophobicContact CD1-CD1 4.38Å; I95-F102 HydrophobicContact CD1-CD2 3.82Å; I95-F102 HydrophobicContact CD1-CG 3.73Å; I95-F102 HydrophobicContact CG1-CB 3.84Å; I95-F102 HydrophobicContact CG1-CG 4.36Å; I95-F102 HydrophobicContact CG2-CB 3.55Å; I95-F102 HydrophobicContact CG2-CD1 4.18Å; I95-F102 HydrophobicContact CG2-CG 4.1Å
96N98.4Very high97.2Very high130 Ų13063.9 Ų63.970%0.69536%0.356SS*.Hα-helixtrans-66.1-17.6-179.3-71.9-15.2000113.5R92 K93R92-N96 WeakPolarHBondContact O-CB 3.43Å; R92-N96 VanDerWaalsContact O-CG 3.23Å; R92-N96 PolarHBondContact O-N 2.85Å; R92-N96 PolarHBondContact O-ND2 3.25Å; K93-N96 PolarHBondContact O-N 2.9Å
97Q98.1Very high97.3Very high131 Ų13165.8 Ų65.861%0.61237%0.367SS*.THydrogen-bonded Turntrans-89.9-3.7173.2-70.6172.2-23.100113K93 K94 I95 A99K93-Q97 VanDerWaalsContact O-CG 3.24Å; K93-Q97 WeakPolarHBondContact O-CG 3.38Å; K93-Q97 PolarHBondContact O-N 3.19Å; K94-Q97 PolarHBondContact O-N 2.86Å; I95-Q97 PolarHBondContact O-N 3.27Å; I95-Q97 VanDerWaalsContact O-N 3.15Å; Q97-A99 PolarHBondContact O-N 3.4Å
98G97.8Very high97.4Very high66 Ų6668 Ų6868%0.6839%0.385SS*.THydrogen-bonded Turntrans74.99.2-175.800000114.4K94 I95K94-G98 PolarHBondContact O-N 3.39Å; I95-G98 PolarHBondContact O-N 2.98Å
99A97.7Very high97.5Very high57 Ų5771.2 Ų71.247%0.47140%0.399SS..SBendtrans-77.6-24.517900000112.7K94 Q97K94-A99 HydrophobicContact CB-CB 4.27Å; K94-A99 PolarHBondContact O-N 2.81Å; Q97-A99 PolarHBondContact O-N 3.4Å
100V98.7Very high97.6Very high7 Ų767.3 Ų67.34%0.04237%0.372CS..SBendtrans-124.8124174.2-178.90000108.6V79 R82 L91 K94 I95 F102V79-V100 HydrophobicContact CG1-CG1 3.99Å; V79-V100 WeakPolarHBondContact O-CG2 3.41Å; R82-V100 HydrophobicContact CB-CG1 4.27Å; L91-V100 HydrophobicContact CD1-CB 4.46Å; L91-V100 HydrophobicContact CD1-CG1 4.23Å; L91-V100 HydrophobicContact CD1-CG2 4.12Å; K94-V100 HydrophobicContact CB-CG2 3.86Å; K94-V100 PolarHBondContact O-N 2.88Å; I95-V100 HydrophobicContact CG1-CB 3.94Å; I95-V100 HydrophobicContact CG1-CG1 4.17Å; V100-F102 PolarHBondContact O-N 3.18Å
101S98.6Very high97.7Very high74 Ų7467.5 Ų67.552%0.51737%0.372SS..EExtended strand (participates in β ladder)trans-69.3129.7172.2-66.70000109.6S80 W81 R82S80-S101 PolarHBondContact O-N 2.89Å; W81-S101 CarbonylContact C-O 3.57Å; W81-S101 WeakPolarHBondContact CA-O 3.31Å; R82-S101 PolarHBondContact N-O 2.68Å
102F98.6Very high97.6Very high62 Ų6270.1 Ų70.127%0.27238%0.384SS..EExtended strand (participates in β ladder)trans-130.9139.8-179.1177.4-109.9000110.5R82 Q86 I95 V100 D104R82-F102 HydrophobicContact CB-CD2 3.97Å; R82-F102 HydrophobicContact CG-CD2 4.04Å; R82-F102 HydrophobicContact CG-CE2 4.29Å; R82-F102 WeakPolarHBondContact O-CA 3.18Å; R82-F102 WeakPolarHBondContact O-CD2 3.23Å; Q86-F102 HydrophobicContact CG-CD2 4.32Å; Q86-F102 HydrophobicContact CG-CE2 3.81Å; Q86-F102 HydrophobicContact CG-CZ 4.17Å; I95-F102 HydrophobicContact CB-CB 4.34Å; I95-F102 HydrophobicContact CD1-CB 3.76Å; I95-F102 HydrophobicContact CD1-CD1 4.38Å; I95-F102 HydrophobicContact CD1-CD2 3.82Å; I95-F102 HydrophobicContact CD1-CG 3.73Å; I95-F102 HydrophobicContact CG1-CB 3.84Å; I95-F102 HydrophobicContact CG1-CG 4.36Å; I95-F102 HydrophobicContact CG2-CB 3.55Å; I95-F102 HydrophobicContact CG2-CD1 4.18Å; I95-F102 HydrophobicContact CG2-CG 4.1Å; V100-F102 PolarHBondContact O-N 3.18Å; F102-D104 HydrophobicContact CE1-CB 3.73Å; F102-D104 HydrophobicContact CZ-CB 3.85Å
103V97.7Very high97.5Very high47 Ų4766.3 Ų66.329%0.28537%0.372SS..  trans-131.6120.9167.962.50000108.5W81 R82 A83 L105W81-V103 HydrophobicContact CH2-CG1 4.26Å; W81-V103 HydrophobicContact CZ2-CG1 3.44Å; W81-V103 VanDerWaalsContact CZ2-CG1 3.44Å; R82-V103 PolarHBondContact O-N 3.43Å; R82-V103 VanDerWaalsContact O-N 3.16Å; A83-V103 HydrophobicContact CB-CG1 3.72Å; A83-V103 WeakPolarHBondContact CB-O 3.32Å; V103-L105 HydrophobicContact CG1-CD1 4.34Å; V103-L105 HydrophobicContact CG1-CG 4.4Å; V103-L105 HydrophobicContact CG2-CD2 3.74Å; V103-L105 HydrophobicContact CG2-CG 4.02Å
104D97.6Very high97.4Very high116 Ų11660.2 Ų60.262%0.6235%0.345SS*.  trans-85.2136.9165.955.3-29.1000110.8P84 F102P84-D104 WeakPolarHBondContact O-CA 3.49Å; F102-D104 HydrophobicContact CE1-CB 3.73Å; F102-D104 HydrophobicContact CZ-CB 3.85Å
105L97.5Very high97.1Very high41 Ų4160.3 Ų60.322%0.21535%0.347CS..  trans-134.6154.1-174-62.7169000110P84 V103 L107 V110 M113 F119P84-L105 HydrophobicContact CB-CB 3.9Å; P84-L105 HydrophobicContact CB-CD1 4.38Å; P84-L105 HydrophobicContact CB-CG 4.45Å; P84-L105 PolarHBondContact O-N 3.05Å; V103-L105 HydrophobicContact CG1-CD1 4.34Å; V103-L105 HydrophobicContact CG1-CG 4.4Å; V103-L105 HydrophobicContact CG2-CD2 3.74Å; V103-L105 HydrophobicContact CG2-CG 4.02Å; L105-L107 PolarHBondContact O-N 2.8Å; L105-L107 VanDerWaalsContact O-N 3.08Å; L105-V110 HydrophobicContact CB-CG2 3.98Å; L105-V110 HydrophobicContact CD1-CG2 4.19Å; L105-M113 HydrophobicContact CD1-SD 4.23Å; L105-M113 HydrophobicContact CD2-SD 4.42Å; L105-F119 HydrophobicContact CD1-CE1 3.96Å; L105-F119 HydrophobicContact CD1-CE2 4.46Å; L105-F119 HydrophobicContact CD1-CZ 3.43Å; L105-F119 VanDerWaalsContact CD1-CZ 3.43Å
106H97.8Very high96.8Very high136 Ų13662.8 Ų62.863%0.6336%0.356SS*.  trans-57117.5165.4-70.6-55.8000109.3S108 E109H106-S108 PolarHBondContact O-N 2.81Å; H106-S108 VanDerWaalsContact O-N 3.13Å; H106-E109 HydrophobicContact CB-CB 4.4Å; H106-E109 HydrophobicContact CB-CG 3.9Å; H106-E109 WeakPolarHBondContact O-CB 3.26Å; H106-E109 PolarHBondContact O-N 3.31Å
107L97.4Very high96.6Very high62 Ų6258.3 Ų58.333%0.32534%0.34SS..Hα-helixtrans-58.3-34.3-170.1-59.4-179.9000112.6F28 A63 P84 L105 E109F28-L107 HydrophobicContact CE2-CD1 3.74Å; F28-L107 HydrophobicContact CZ-CD1 3.6Å; A63-L107 HydrophobicContact CB-CD1 4.03Å; A63-L107 HydrophobicContact CB-CD2 4.15Å; P84-L107 HydrophobicContact CB-CD2 4.16Å; P84-L107 HydrophobicContact CG-CD2 3.61Å; L105-L107 PolarHBondContact O-N 2.8Å; L105-L107 VanDerWaalsContact O-N 3.08Å; L107-E109 PolarHBondContact O-N 3.09Å
108S96.3Very high96.5Very high102 Ų10258.9 Ų58.971%0.71334%0.341SS*.Hα-helixtrans-66.9-20.4177.457.30000113.9H106H106-S108 PolarHBondContact O-N 2.81Å; H106-S108 VanDerWaalsContact O-N 3.13Å
109E96.2Very high96.3Very high67 Ų6757.4 Ų57.431%0.31332%0.316SS..Hα-helixtrans-92.2-18.6-175.9-59.5-173.6162.900112.9H106 L107 A111 Q112 M113H106-E109 HydrophobicContact CB-CB 4.4Å; H106-E109 HydrophobicContact CB-CG 3.9Å; H106-E109 WeakPolarHBondContact O-CB 3.26Å; H106-E109 PolarHBondContact O-N 3.31Å; L107-E109 PolarHBondContact O-N 3.09Å; E109-A111 PolarHBondContact O-N 2.65Å; E109-Q112 HydrophobicContact CB-CG 4.42Å; E109-Q112 WeakPolarHBondContact O-CG 3.38Å; E109-Q112 PolarHBondContact O-N 2.72Å; E109-M113 HydrophobicContact CB-CE 3.87Å; E109-M113 HydrophobicContact CB-SD 4.35Å; E109-M113 WeakPolarHBondContact O-CB 3.42Å; E109-M113 VanDerWaalsContact O-CG 3.27Å; E109-M113 WeakPolarHBondContact O-CG 3.45Å; E109-M113 PolarHBondContact O-N 2.99Å; E109-M113 VanDerWaalsContact OE2-CE 3.28Å; E109-M113 WeakPolarHBondContact OE2-CE 3.49Å
110V97.4Very high96.2Very high0 Ų056.6 Ų56.60%031%0.313CS..Hα-helixtrans-61.3-48.7-171.7179.40000111.5L60 P84 L105 Q112 M113 V114 N146 W150L60-V110 HydrophobicContact CD1-CG1 4.18Å; P84-V110 HydrophobicContact CB-CG2 3.64Å; P84-V110 HydrophobicContact CG-CG2 3.89Å; L105-V110 HydrophobicContact CB-CG2 3.98Å; L105-V110 HydrophobicContact CD1-CG2 4.19Å; V110-Q112 VanDerWaalsContact C-N 3.31Å; V110-Q112 PolarHBondContact O-N 2.64Å; V110-M113 PolarHBondContact O-N 3.34Å; V110-V114 HydrophobicContact CG1-CG2 4.46Å; V110-V114 WeakPolarHBondContact O-CG2 3.14Å; V110-V114 PolarHBondContact O-N 3.17Å; V110-N146 WeakPolarHBondContact CG1-ND2 3.49Å; V110-W150 HydrophobicContact CG1-CH2 3.93Å; V110-W150 HydrophobicContact CG1-CZ2 4.44Å
111A96Very high96.1Very high20 Ų2061 Ų6117%0.16534%0.336CS..Hα-helixtrans-57.7-41.6178.200000112.9E109 N115 N146 T149E109-A111 PolarHBondContact O-N 2.65Å; A111-N115 WeakPolarHBondContact O-CB 3.41Å; A111-N115 PolarHBondContact O-N 3.06Å; A111-N115 PolarHBondContact O-ND2 3.27Å; A111-N146 WeakPolarHBondContact CB-OD1 3.38Å; A111-T149 HydrophobicContact CB-CG2 4.39Å; A111-T149 WeakPolarHBondContact CB-OG1 3.38Å
112Q94.9Very high96.1Very high55 Ų5557.6 Ų57.626%0.25731%0.312SS..Hα-helixtrans-72.5-39.7178.86117432.700111.9E109 V110 V114 N115 Y116E109-Q112 HydrophobicContact CB-CG 4.42Å; E109-Q112 WeakPolarHBondContact O-CG 3.38Å; E109-Q112 PolarHBondContact O-N 2.72Å; V110-Q112 VanDerWaalsContact C-N 3.31Å; V110-Q112 PolarHBondContact O-N 2.64Å; Q112-V114 VanDerWaalsContact C-N 3.26Å; Q112-V114 PolarHBondContact O-N 3Å; Q112-N115 CarbonylContact O-C 3.33Å; Q112-N115 WeakPolarHBondContact O-CA 3.25Å; Q112-N115 WeakPolarHBondContact O-CB 3.49Å; Q112-N115 PolarHBondContact O-N 3.43Å; Q112-N115 VanDerWaalsContact O-N 3.07Å; Q112-Y116 HydrophobicContact CB-CE1 4.29Å; Q112-Y116 HydrophobicContact CB-CE2 4.02Å; Q112-Y116 HydrophobicContact CG-CE2 4.28Å; Q112-Y116 WeakPolarHBondContact O-CB 3.46Å; Q112-Y116 WeakPolarHBondContact O-CD1 3.5Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.2Å; Q112-Y116 PolarHBondContact O-N 3.39Å
113M95.8Very high96.1Very high31 Ų3156.1 Ų56.115%0.15331%0.307CS..Hα-helixtrans-59.7-39.4176-72.4177.8176.400111.5L105 E109 V110 Y116 G117 F118 F119L105-M113 HydrophobicContact CD1-SD 4.23Å; L105-M113 HydrophobicContact CD2-SD 4.42Å; E109-M113 HydrophobicContact CB-CE 3.87Å; E109-M113 HydrophobicContact CB-SD 4.35Å; E109-M113 WeakPolarHBondContact O-CB 3.42Å; E109-M113 VanDerWaalsContact O-CG 3.27Å; E109-M113 WeakPolarHBondContact O-CG 3.45Å; E109-M113 PolarHBondContact O-N 2.99Å; E109-M113 VanDerWaalsContact OE2-CE 3.28Å; E109-M113 WeakPolarHBondContact OE2-CE 3.49Å; V110-M113 PolarHBondContact O-N 3.34Å; M113-Y116 PolarHBondContact O-N 3.45Å; M113-G117 PolarHBondContact O-N 3.12Å; M113-G117 VanDerWaalsContact O-N 3.1Å; M113-F118 HydrophobicContact CB-CB 4.26Å; M113-F118 HydrophobicContact CB-CD2 3.99Å; M113-F118 HydrophobicContact CB-CG 4.45Å; M113-F118 HydrophobicContact CG-CD2 3.8Å; M113-F118 HydrophobicContact CG-CE2 4.36Å; M113-F118 PolarHBondContact O-N 3.04Å; M113-F119 HydrophobicContact CB-CD2 4.33Å; M113-F119 HydrophobicContact CB-CE2 3.52Å; M113-F119 HydrophobicContact CB-CZ 4.01Å; M113-F119 HydrophobicContact SD-CE2 4.38Å; M113-F119 HydrophobicContact SD-CZ 3.97Å
114V95.6Very high96.2Very high3 Ų353.9 Ų53.92%0.01829%0.294CS..Hα-helixtrans-63.4-47.3172.61740000110.6L60 V110 Q112 Y116 G117 F119 I122 T149 W150 R153L60-V114 HydrophobicContact CD2-CG2 3.85Å; V110-V114 HydrophobicContact CG1-CG2 4.46Å; V110-V114 WeakPolarHBondContact O-CG2 3.14Å; V110-V114 PolarHBondContact O-N 3.17Å; Q112-V114 VanDerWaalsContact C-N 3.26Å; Q112-V114 PolarHBondContact O-N 3Å; V114-Y116 PolarHBondContact O-N 3.24Å; V114-G117 PolarHBondContact O-N 3.22Å; V114-F119 HydrophobicContact CB-CD2 4.5Å; V114-F119 HydrophobicContact CG2-CD2 3.56Å; V114-F119 HydrophobicContact CG2-CE2 3.92Å; V114-I122 HydrophobicContact CG1-CD1 3.61Å; V114-I122 HydrophobicContact CG1-CG1 4.49Å; V114-T149 HydrophobicContact CB-CG2 4.1Å; V114-T149 HydrophobicContact CG1-CG2 3.84Å; V114-W150 HydrophobicContact CB-CZ3 4.04Å; V114-W150 HydrophobicContact CG1-CE3 4.31Å; V114-W150 HydrophobicContact CG1-CZ3 3.82Å; V114-W150 HydrophobicContact CG2-CE3 4.48Å; V114-W150 HydrophobicContact CG2-CH2 3.68Å; V114-W150 HydrophobicContact CG2-CZ3 3.31Å; V114-R153 HydrophobicContact CG1-CB 4.25Å; V114-R153 HydrophobicContact CG1-CG 4.22Å
115N92.4Very high96.2Very high34 Ų3448.4 Ų48.418%0.18226%0.264CS..Hα-helixtrans-61.6-30.6178.5-81.3-35.9000112.7A111 Q112 G117 R153A111-N115 WeakPolarHBondContact O-CB 3.41Å; A111-N115 PolarHBondContact O-N 3.06Å; A111-N115 PolarHBondContact O-ND2 3.27Å; Q112-N115 CarbonylContact O-C 3.33Å; Q112-N115 WeakPolarHBondContact O-CA 3.25Å; Q112-N115 WeakPolarHBondContact O-CB 3.49Å; Q112-N115 PolarHBondContact O-N 3.43Å; Q112-N115 VanDerWaalsContact O-N 3.07Å; N115-G117 VanDerWaalsContact C-N 3.32Å; N115-R153 PolarHBondContact O-NH1 3.14Å; N115-R153 PolarHBondContact O-NH2 2.86Å; N115-R153 WeakPolarHBondContact OD1-CD 3.25Å; N115-R153 WeakPolarHBondContact OD1-CG 3.2Å; N115-R153 PolarHBondContact OD1-NH1 3.15Å
116Y93.4Very high96.3Very high78 Ų7846.4 Ų46.431%0.30625%0.254SS..THydrogen-bonded Turntrans-82.7-8.9176.4-55-16000113.2Q112 M113 V114 F118 P181 R184Q112-Y116 HydrophobicContact CB-CE1 4.29Å; Q112-Y116 HydrophobicContact CB-CE2 4.02Å; Q112-Y116 HydrophobicContact CG-CE2 4.28Å; Q112-Y116 WeakPolarHBondContact O-CB 3.46Å; Q112-Y116 WeakPolarHBondContact O-CD1 3.5Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.2Å; Q112-Y116 PolarHBondContact O-N 3.39Å; M113-Y116 PolarHBondContact O-N 3.45Å; V114-Y116 PolarHBondContact O-N 3.24Å; Y116-F118 HydrophobicContact CD2-CE2 4.36Å; Y116-F118 HydrophobicContact CD2-CZ 4.2Å; Y116-P181 HydrophobicContact CE1-CG 4.02Å; Y116-P181 WeakPolarHBondContact OH-CD 3.48Å; Y116-P181 WeakPolarHBondContact OH-CG 3.45Å; Y116-R184 VanDerWaalsContact OH-CZ 3.24Å; Y116-R184 PolarHBondContact OH-NH1 2.64Å; Y116-R184 PolarHBondContact OH-NH2 3.11Å
117G93.5Very high96.4Very high35 Ų3540 Ų4036%0.36122%0.224SC..THydrogen-bonded Turntrans84.115.8177.800000114.9M113 V114 N115 F119 G120M113-G117 PolarHBondContact O-N 3.12Å; M113-G117 VanDerWaalsContact O-N 3.1Å; V114-G117 PolarHBondContact O-N 3.22Å; N115-G117 VanDerWaalsContact C-N 3.32Å; G117-F119 PolarHBondContact O-N 2.87Å; G117-G120 PolarHBondContact O-N 3.21Å
118F95.4Very high96.4Very high143 Ų14337 Ų3763%0.62721%0.209SC*.THydrogen-bonded Turntrans-65.6-24-177-69.7-1.8000113.7M113 Y116M113-F118 HydrophobicContact CB-CB 4.26Å; M113-F118 HydrophobicContact CB-CD2 3.99Å; M113-F118 HydrophobicContact CB-CG 4.45Å; M113-F118 HydrophobicContact CG-CD2 3.8Å; M113-F118 HydrophobicContact CG-CE2 4.36Å; M113-F118 PolarHBondContact O-N 3.04Å; Y116-F118 HydrophobicContact CD2-CE2 4.36Å; Y116-F118 HydrophobicContact CD2-CZ 4.2Å
119F93.9Very high96.5Very high35 Ų3532.2 Ų32.215%0.15418%0.175CC..THydrogen-bonded Turntrans-98.73.6175.1-54.4-63.9000113.4M22 L60 W81 L105 M113 V114 G117M22-F119 HydrophobicContact CE-CB 4.36Å; L60-F119 HydrophobicContact CD2-CD2 4.27Å; W81-F119 AromaticContact CH2-CD1 3.89Å; W81-F119 HydrophobicContact CH2-CD1 3.89Å; W81-F119 HydrophobicContact CH2-CE1 4.16Å; W81-F119 HydrophobicContact CZ2-CD1 4.15Å; W81-F119 HydrophobicContact CZ2-CE1 4.3Å; L105-F119 HydrophobicContact CD1-CE1 3.96Å; L105-F119 HydrophobicContact CD1-CE2 4.46Å; L105-F119 HydrophobicContact CD1-CZ 3.43Å; L105-F119 VanDerWaalsContact CD1-CZ 3.43Å; M113-F119 HydrophobicContact CB-CD2 4.33Å; M113-F119 HydrophobicContact CB-CE2 3.52Å; M113-F119 HydrophobicContact CB-CZ 4.01Å; M113-F119 HydrophobicContact SD-CE2 4.38Å; M113-F119 HydrophobicContact SD-CZ 3.97Å; V114-F119 HydrophobicContact CB-CD2 4.5Å; V114-F119 HydrophobicContact CG2-CD2 3.56Å; V114-F119 HydrophobicContact CG2-CE2 3.92Å; G117-F119 PolarHBondContact O-N 2.87Å
120G95.3Very high96.6Very high40 Ų4029.4 Ų29.441%0.41216%0.162SC..  trans73.3-156.6-167.300000112.6G117G117-G120 PolarHBondContact O-N 3.21Å
121D97.1Very high96.7Very high99 Ų9930.6 Ų30.653%0.52917%0.173SC..  trans-77.1148.9178.5-67.1-31.6000112.1M22 K155M22-D121 VanDerWaalsContact CB-O 3.25Å; M22-D121 WeakPolarHBondContact CB-O 3.39Å; D121-K155 WeakPolarHBondContact OD2-CE 3.49Å; D121-K155 IonicContact OD2-NZ 2.72Å; D121-K155 PolarHBondContact OD2-NZ 3.41Å
122I98.6Very high96.7Very high4 Ų431 Ų312%0.02117%0.172CC..  trans-92.2118163.2-62.2164.4000107.5M22 A24 V114 W150 R153 A154 K155M22-I122 HydrophobicContact CG-CG1 4.18Å; A24-I122 HydrophobicContact CB-CD1 4.27Å; A24-I122 HydrophobicContact CB-CG2 3.77Å; V114-I122 HydrophobicContact CG1-CD1 3.61Å; V114-I122 HydrophobicContact CG1-CG1 4.49Å; I122-W150 HydrophobicContact CD1-CD2 4.36Å; I122-W150 HydrophobicContact CD1-CE3 3.25Å; I122-W150 HydrophobicContact CD1-CZ3 3.5Å; I122-R153 HydrophobicContact CD1-CB 4.29Å; I122-A154 HydrophobicContact CB-CB 4.16Å; I122-A154 HydrophobicContact CG2-CB 3.64Å; I122-A154 CarbonylContact O-C 3.57Å; I122-A154 VanDerWaalsContact O-CA 3.31Å; I122-A154 WeakPolarHBondContact O-CA 3.44Å; I122-K155 PolarHBondContact O-N 3.27Å
123D98.8Very high96.8Very high30 Ų3029 Ų2916%0.1617%0.165CC..  trans-78.4-44.4-177.3-59.4-60.8000110.7D21 M22 K155 K156D21-D123 WeakPolarHBondContact CA-OD2 3.33Å; D21-D123 HydrophobicContact CB-CB 3.97Å; M22-D123 PolarHBondContact N-OD2 3.41Å; M22-D123 PolarHBondContact O-N 3.27Å; D123-K155 IonicContact OD1-NZ 3.73Å; D123-K155 PolarHBondContact OD1-NZ 2.88Å; D123-K156 PolarHBondContact O-N 3.15Å; D123-K156 VanDerWaalsContact O-N 3.1Å
124V98.9Very high96.8Very high1 Ų130.9 Ų30.91%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-137.2128.7179.1-171.90000110.8I17 M22 V23 A24 V126 K156 I158I17-V124 HydrophobicContact CD1-CG1 4.43Å; I17-V124 HydrophobicContact CG1-CB 4.27Å; I17-V124 HydrophobicContact CG1-CG1 4.06Å; I17-V124 HydrophobicContact CG1-CG2 4.18Å; M22-V124 PolarHBondContact O-N 3.43Å; V23-V124 CarbonylContact C-O 3.58Å; V23-V124 VanDerWaalsContact CA-O 3.28Å; V23-V124 WeakPolarHBondContact CA-O 3.35Å; A24-V124 PolarHBondContact N-O 2.76Å; V124-V126 HydrophobicContact CG1-CG2 4.34Å; V124-K156 CarbonylContact C-O 3.59Å; V124-K156 WeakPolarHBondContact CA-O 3.3Å; V124-K156 HydrophobicContact CG2-CB 4.39Å; V124-I158 HydrophobicContact CG1-CD1 3.78Å; V124-I158 HydrophobicContact CG1-CG1 3.94Å
125A98.9Very high96.8Very high0 Ų034.1 Ų34.10%020%0.196CC..EExtended strand (participates in β ladder)trans-99.1130.1163.800000109.9A24 I127 W150 A154 K156 V157 I158A24-A125 CarbonylContact O-C 3.57Å; A24-A125 VanDerWaalsContact O-CA 3.3Å; A24-A125 WeakPolarHBondContact O-CA 3.28Å; A125-I127 HydrophobicContact CB-CD1 4.12Å; A125-I127 HydrophobicContact CB-CG1 4.04Å; A125-W150 HydrophobicContact CB-CB 3.93Å; A125-A154 HydrophobicContact CB-CB 3.51Å; A125-K156 PolarHBondContact N-O 3.36Å; A125-V157 HydrophobicContact CB-CG2 4.42Å; A125-V157 CarbonylContact O-C 3.55Å; A125-V157 WeakPolarHBondContact O-CA 3.12Å; A125-I158 PolarHBondContact O-N 2.76Å
126V98.8Very high97Very high0 Ų032.5 Ų32.50%019%0.188CC..EExtended strand (participates in β ladder)trans-109.3112.7170.5-172.80000108.1I17 V23 A24 F25 S26 P34 L37 V124 I158I17-V126 HydrophobicContact CD1-CG2 4.07Å; V23-V126 HydrophobicContact CG1-CG2 4.17Å; A24-V126 PolarHBondContact O-N 3.32Å; F25-V126 WeakPolarHBondContact CA-O 3.32Å; F25-V126 HydrophobicContact CD1-CB 3.61Å; F25-V126 HydrophobicContact CD1-CG2 3.94Å; F25-V126 HydrophobicContact CE1-CB 3.76Å; F25-V126 HydrophobicContact CE1-CG2 3.64Å; S26-V126 PolarHBondContact N-O 2.99Å; P34-V126 HydrophobicContact CB-CG1 3.78Å; P34-V126 HydrophobicContact CG-CB 4.1Å; P34-V126 HydrophobicContact CG-CG1 3.67Å; P34-V126 VanDerWaalsContact CG-O 3.28Å; P34-V126 WeakPolarHBondContact CG-O 3.27Å; L37-V126 HydrophobicContact CB-CG1 3.76Å; L37-V126 HydrophobicContact CD2-CG1 4.38Å; L37-V126 HydrophobicContact CG-CG1 3.69Å; V124-V126 HydrophobicContact CG1-CG2 4.34Å; V126-I158 WeakPolarHBondContact CA-O 3.47Å; V126-I158 HydrophobicContact CG1-CG2 4.43Å; V126-I158 HydrophobicContact CG2-CB 4.35Å; V126-I158 HydrophobicContact CG2-CD1 4.44Å
127I98.8Very high97.2Very high0 Ų032.6 Ų32.60%019%0.188CC..EExtended strand (participates in β ladder)trans-124.4125.5-167.4-54.7-63.5000109.3A125 L140 A147 W150 L151 I158 I159 E160A125-I127 HydrophobicContact CB-CD1 4.12Å; A125-I127 HydrophobicContact CB-CG1 4.04Å; I127-L140 HydrophobicContact CG2-CD2 3.55Å; I127-A147 HydrophobicContact CD1-CB 4.11Å; I127-A147 HydrophobicContact CG2-CB 4.46Å; I127-W150 HydrophobicContact CD1-CB 3.88Å; I127-W150 HydrophobicContact CD1-CG 4.38Å; I127-L151 HydrophobicContact CB-CD2 4.26Å; I127-L151 HydrophobicContact CD1-CG 4.41Å; I127-L151 HydrophobicContact CG1-CD2 3.78Å; I127-L151 HydrophobicContact CG1-CG 3.94Å; I127-L151 HydrophobicContact CG2-CD1 4.2Å; I127-L151 HydrophobicContact CG2-CD2 4.26Å; I127-L151 HydrophobicContact CG2-CG 4.3Å; I127-I158 PolarHBondContact N-O 3.02Å; I127-I159 HydrophobicContact CB-CD1 4.04Å; I127-I159 HydrophobicContact CG2-CD1 4.46Å; I127-I159 CarbonylContact O-C 3.57Å; I127-I159 WeakPolarHBondContact O-CA 3.47Å; I127-E160 PolarHBondContact O-N 3.48Å
128E98.7Very high97.4Very high1 Ų131 Ų311%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-76.5132.2167.1-170.3-179.8-114.100110.8S26 G32 K35 T141 E160 N162 H165S26-E128 PolarHBondContact OG-N 2.85Å; G32-E128 VanDerWaalsContact CA-OE2 3.24Å; G32-E128 WeakPolarHBondContact CA-OE2 3.44Å; K35-E128 WeakPolarHBondContact CD-OE1 3.46Å; K35-E128 WeakPolarHBondContact CE-OE1 3.26Å; K35-E128 IonicContact NZ-OE1 3.67Å; K35-E128 PolarHBondContact NZ-OE1 3.41Å; K35-E128 IonicContact NZ-OE2 2.75Å; K35-E128 PolarHBondContact NZ-OE2 2.86Å; E128-T141 HydrophobicContact CG-CG2 3.7Å; E128-T141 WeakPolarHBondContact OE2-CB 3.4Å; E128-T141 PolarHBondContact OE2-OG1 2.91Å; E128-E160 CarbonylContact C-O 3.52Å; E128-E160 WeakPolarHBondContact CA-O 3.38Å; E128-N162 HydrophobicContact CG-CB 3.88Å; E128-N162 PolarHBondContact OE1-ND2 3.41Å; E128-H165 IonicContact OE2-NE2 3.33Å
129A98.7Very high97.6Very high0 Ų026.6 Ų26.60%015%0.15CC..EExtended strand (participates in β ladder)trans-131.6146.8178.300000111.2V138 W139 I159 E160 L161 N162A129-V138 HydrophobicContact CB-CG1 3.76Å; A129-W139 CarbonylContact C-O 3.5Å; A129-W139 WeakPolarHBondContact CA-O 3.41Å; A129-W139 WeakPolarHBondContact CB-O 3.29Å; A129-I159 HydrophobicContact CB-CG2 3.69Å; A129-E160 PolarHBondContact N-O 2.96Å; A129-L161 HydrophobicContact CB-CD1 4.46Å; A129-N162 PolarHBondContact O-N 2.79Å
130S98.4Very high97.8Very high8 Ų825.2 Ų25.26%0.05614%0.144CC..EExtended strand (participates in β ladder)trans-88.8-26.2171.355.40000112.1W139 L140S130-W139 PolarHBondContact N-O 3.03Å; S130-W139 PolarHBondContact OG-O 3.07Å; S130-L140 PolarHBondContact OG-O 2.99Å
131A97.9Very high97.9Very high26 Ų2623.6 Ų23.622%0.21513%0.126CC..EExtended strand (participates in β ladder)trans-151.7153.6173.200000111.4W139A131-W139 HydrophobicContact CB-CB 4.06Å; A131-W139 HydrophobicContact CB-CD2 4.22Å; A131-W139 HydrophobicContact CB-CE3 3.86Å; A131-W139 HydrophobicContact CB-CG 4.35Å; A131-W139 PolarHBondContact N-O 3.36Å; A131-W139 PolarHBondContact O-N 3.32Å
132L97.5Very high97.9Very high29 Ų2921.4 Ų21.415%0.15212%0.118CC..EExtended strand (participates in β ladder)trans-140.1129.6176.917667.1000109.5W5 R137 V138 I159 I208 V211W5-L132 HydrophobicContact CD2-CD2 4.21Å; W5-L132 HydrophobicContact CH2-CD1 4.48Å; W5-L132 HydrophobicContact CH2-CD2 3.9Å; W5-L132 HydrophobicContact CH2-CG 3.86Å; W5-L132 HydrophobicContact CZ2-CD2 3.58Å; W5-L132 HydrophobicContact CZ2-CG 3.89Å; W5-L132 HydrophobicContact CZ3-CD2 4.44Å; L132-R137 WeakPolarHBondContact CA-O 3.45Å; L132-V138 HydrophobicContact CD1-CG2 3.82Å; L132-I159 HydrophobicContact CD2-CG1 4.38Å; L132-I208 HydrophobicContact CD1-CD1 3.66Å; L132-I208 HydrophobicContact CD2-CD1 4.27Å; L132-V211 HydrophobicContact CD2-CG2 3.68Å
133A96.4Very high97.8Very high12 Ų1221.5 Ų21.510%0.09912%0.121CC..  trans-106.1149.7176.200000112.5W5 D135 G136 R137 W139W5-A133 WeakPolarHBondContact CH2-O 3.44Å; A133-D135 VanDerWaalsContact CB-OD1 3.25Å; A133-D135 WeakPolarHBondContact CB-OD1 3.24Å; A133-D135 PolarHBondContact O-N 2.86Å; A133-G136 PolarHBondContact O-N 3.25Å; A133-R137 HydrophobicContact CB-CB 4.16Å; A133-R137 PolarHBondContact N-O 3.04Å; A133-W139 HydrophobicContact CB-CH2 3.96Å; A133-W139 HydrophobicContact CB-CZ3 3.66Å
134P95Very high97.7Very high71 Ų7122.6 Ų22.646%0.46113%0.126SC..THydrogen-bonded Turntrans-51.4-25.7179.7-30.837.7000115.9T3 W5 G136T3-P134 HydrophobicContact CG2-CG 4.33Å; W5-P134 HydrophobicContact CH2-CB 4.42Å; P134-G136 VanDerWaalsContact C-N 3.31Å
135D95.4Very high97.6Very high71 Ų7123.9 Ų23.938%0.3814%0.14SC..THydrogen-bonded Turntrans-86.76.2-179.860.35.8000113.9A133 R137 Q202A133-D135 VanDerWaalsContact CB-OD1 3.25Å; A133-D135 WeakPolarHBondContact CB-OD1 3.24Å; A133-D135 PolarHBondContact O-N 2.86Å; D135-R137 VanDerWaalsContact CG-NE 3.33Å; D135-R137 WeakPolarHBondContact OD1-CG 3.16Å; D135-R137 IonicContact OD1-CZ 3.8Å; D135-R137 PolarHBondContact OD1-N 2.96Å; D135-R137 IonicContact OD1-NE 2.99Å; D135-R137 PolarHBondContact OD1-NE 3.1Å; D135-R137 IonicContact OD1-NH2 3.69Å; D135-R137 IonicContact OD2-CZ 3.19Å; D135-R137 IonicContact OD2-NE 2.91Å; D135-R137 PolarHBondContact OD2-NE 2.98Å; D135-R137 IonicContact OD2-NH2 2.74Å; D135-R137 PolarHBondContact OD2-NH2 3.21Å; D135-Q202 PolarHBondContact O-NE2 3.25Å
136G96.5Very high97.6Very high0 Ų024.7 Ų24.70%014%0.144CC..SBendtrans87.414.3177.200000114.6A133 P134 I203A133-G136 PolarHBondContact O-N 3.25Å; P134-G136 VanDerWaalsContact C-N 3.31Å; G136-I203 VanDerWaalsContact O-CG1 3.3Å; G136-I203 WeakPolarHBondContact O-CG1 3.15Å; G136-I203 PolarHBondContact O-N 2.87Å
137R97.9Very high97.5Very high80 Ų8024.7 Ų24.730%0.30214%0.144SC..EExtended strand (participates in β ladder)trans-75.9124.2166.7-65.8177.6-78171.5-8.3110.4L132 A133 D135 W139 Y200L132-R137 WeakPolarHBondContact CA-O 3.45Å; A133-R137 HydrophobicContact CB-CB 4.16Å; A133-R137 PolarHBondContact N-O 3.04Å; D135-R137 VanDerWaalsContact CG-NE 3.33Å; D135-R137 WeakPolarHBondContact OD1-CG 3.16Å; D135-R137 IonicContact OD1-CZ 3.8Å; D135-R137 PolarHBondContact OD1-N 2.96Å; D135-R137 IonicContact OD1-NE 2.99Å; D135-R137 PolarHBondContact OD1-NE 3.1Å; D135-R137 IonicContact OD1-NH2 3.69Å; D135-R137 IonicContact OD2-CZ 3.19Å; D135-R137 IonicContact OD2-NE 2.91Å; D135-R137 PolarHBondContact OD2-NE 2.98Å; D135-R137 IonicContact OD2-NH2 2.74Å; D135-R137 PolarHBondContact OD2-NH2 3.21Å; R137-W139 HydrophobicContact CB-CE3 4.21Å; R137-W139 HydrophobicContact CB-CH2 3.5Å; R137-W139 HydrophobicContact CB-CZ2 4.23Å; R137-W139 HydrophobicContact CB-CZ3 3.49Å; R137-W139 VanDerWaalsContact CB-CZ3 3.49Å; R137-W139 HydrophobicContact CG-CH2 4.32Å; R137-W139 WeakPolarHBondContact O-CZ3 3.39Å; R137-Y200 HydrophobicContact CB-CD2 3.92Å; R137-Y200 HydrophobicContact CB-CE2 4.42Å; R137-Y200 HydrophobicContact CB-CG 4.26Å; R137-Y200 HydrophobicContact CG-CD2 3.59Å; R137-Y200 HydrophobicContact CG-CE2 3.6Å; R137-Y200 HydrophobicContact CG-CG 4.25Å
138V98.5Very high97.5Very high0 Ų025.1 Ų25.10%015%0.146CC..EExtended strand (participates in β ladder)trans-114.2120.1177.5-172.50000109A129 L132 L140 L151 I159 Y200 V201 I203A129-V138 HydrophobicContact CB-CG1 3.76Å; L132-V138 HydrophobicContact CD1-CG2 3.82Å; V138-L140 HydrophobicContact CG1-CD2 4.43Å; V138-L151 HydrophobicContact CB-CD1 4.18Å; V138-L151 HydrophobicContact CG1-CD1 4.17Å; V138-L151 HydrophobicContact CG2-CD2 4.24Å; V138-I159 HydrophobicContact CG1-CD1 4.06Å; V138-I159 HydrophobicContact CG2-CD1 4.31Å; V138-Y200 WeakPolarHBondContact O-CA 3.39Å; V138-Y200 WeakPolarHBondContact O-CB 3.25Å; V138-V201 PolarHBondContact N-O 3.33Å; V138-V201 PolarHBondContact O-N 3.49Å; V138-I203 HydrophobicContact CG2-CD1 4.1Å; V138-I203 HydrophobicContact CG2-CG1 4.11Å
139W98.6Very high97.4Very high52 Ų5225.5 Ų25.520%0.19715%0.149CC..EExtended strand (participates in β ladder)trans-98120.7172.4-71.4-96.2000108.9A129 S130 A131 A133 R137 A170 R199 Y200A129-W139 CarbonylContact C-O 3.5Å; A129-W139 WeakPolarHBondContact CA-O 3.41Å; A129-W139 WeakPolarHBondContact CB-O 3.29Å; S130-W139 PolarHBondContact N-O 3.03Å; S130-W139 PolarHBondContact OG-O 3.07Å; A131-W139 HydrophobicContact CB-CB 4.06Å; A131-W139 HydrophobicContact CB-CD2 4.22Å; A131-W139 HydrophobicContact CB-CE3 3.86Å; A131-W139 HydrophobicContact CB-CG 4.35Å; A131-W139 PolarHBondContact N-O 3.36Å; A131-W139 PolarHBondContact O-N 3.32Å; A133-W139 HydrophobicContact CB-CH2 3.96Å; A133-W139 HydrophobicContact CB-CZ3 3.66Å; R137-W139 HydrophobicContact CB-CE3 4.21Å; R137-W139 HydrophobicContact CB-CH2 3.5Å; R137-W139 HydrophobicContact CB-CZ2 4.23Å; R137-W139 HydrophobicContact CB-CZ3 3.49Å; R137-W139 VanDerWaalsContact CB-CZ3 3.49Å; R137-W139 HydrophobicContact CG-CH2 4.32Å; R137-W139 WeakPolarHBondContact O-CZ3 3.39Å; W139-A170 HydrophobicContact CB-CB 3.68Å; W139-A170 HydrophobicContact CG-CB 3.98Å; W139-R199 VanDerWaalsContact CD1-O 3.23Å; W139-Y200 HydrophobicContact CZ2-CD1 4.22Å; W139-Y200 HydrophobicContact CZ2-CG 4.42Å
140L98.5Very high97.4Very high5 Ų525.5 Ų25.53%0.02615%0.149CC..EExtended strand (participates in β ladder)trans-76171.3-178.5-60.7174.6000111.1I127 S130 V138 I144 A147 P148 L151 I175 V201I127-L140 HydrophobicContact CG2-CD2 3.55Å; S130-L140 PolarHBondContact OG-O 2.99Å; V138-L140 HydrophobicContact CG1-CD2 4.43Å; L140-I144 HydrophobicContact CB-CD1 3.9Å; L140-I144 HydrophobicContact CD1-CD1 3.85Å; L140-I144 HydrophobicContact CD1-CG2 4.11Å; L140-A147 HydrophobicContact CD1-CB 3.85Å; L140-A147 HydrophobicContact CD2-CB 3.95Å; L140-P148 HydrophobicContact CD1-CG 4.15Å; L140-L151 HydrophobicContact CD2-CD1 4.24Å; L140-I175 HydrophobicContact CD1-CD1 4.41Å; L140-V201 HydrophobicContact CD1-CG2 4.15Å; L140-V201 HydrophobicContact CG-CG2 4.45Å
141T98.3Very high97.4Very high7 Ų725.1 Ų25.14%0.04315%0.146CC..  trans-97.6-137.2179.954.60000111.3G32 E128 G143 H165G32-T141 VanDerWaalsContact CA-OG1 3.26Å; G32-T141 WeakPolarHBondContact CA-OG1 3.5Å; E128-T141 HydrophobicContact CG-CG2 3.7Å; E128-T141 WeakPolarHBondContact OE2-CB 3.4Å; E128-T141 PolarHBondContact OE2-OG1 2.91Å; T141-G143 VanDerWaalsContact C-N 3.28Å; T141-G143 PolarHBondContact O-N 3.24Å; T141-H165 HydrophobicContact CG2-CB 4.07Å; T141-H165 VanDerWaalsContact CG2-CD2 3.44Å; T141-H165 WeakPolarHBondContact CG2-CD2 3.47Å
142S97Very high97.4Very high52 Ų5227.2 Ų27.236%0.36415%0.153SC..SBendtrans-75.3-10.4-175.252.90000114.4G32 D218G32-S142 PolarHBondContact N-OG 3.49Å; G32-S142 VanDerWaalsContact N-OG 3.09Å; S142-D218 WeakPolarHBondContact CB-OD2 3.32Å; S142-D218 PolarHBondContact OG-OD2 2.8Å
143G96.2Very high97.3Very high7 Ų731 Ų317%0.07217%0.166CC..  trans-131.2128.4178.600000112.1T141T141-G143 VanDerWaalsContact C-N 3.28Å; T141-G143 PolarHBondContact O-N 3.24Å
144I97.5Very high97.4Very high53 Ų5330.4 Ų30.427%0.27216%0.161SC..  trans-90.6-58.7175.3-52.8-51.6000110.4L140 N146 A147 P148 A173 I175L140-I144 HydrophobicContact CB-CD1 3.9Å; L140-I144 HydrophobicContact CD1-CD1 3.85Å; L140-I144 HydrophobicContact CD1-CG2 4.11Å; I144-N146 PolarHBondContact O-N 3.47Å; I144-A147 WeakPolarHBondContact O-CB 3.23Å; I144-A147 PolarHBondContact O-N 3.02Å; I144-P148 HydrophobicContact CG2-CG 3.87Å; I144-A173 HydrophobicContact CD1-CB 3.95Å; I144-I175 HydrophobicContact CD1-CD1 4.01Å; I144-I175 HydrophobicContact CG1-CD1 4.25Å; I144-I175 HydrophobicContact CG2-CD1 3.57Å
145G96.5Very high97.6Very high28 Ų2831.9 Ų31.929%0.28916%0.16SC..THydrogen-bonded Turntrans48.8-129-174.600000111.7
146N97.8Very high97.7Very high16 Ų1632.6 Ų32.69%0.08616%0.16CC..THydrogen-bonded Turntrans-97.67.3178.9-70.7-41.4000113.6T61 V110 A111 I144 P148 T149 W150T61-N146 PolarHBondContact O-ND2 3.3Å; V110-N146 WeakPolarHBondContact CG1-ND2 3.49Å; A111-N146 WeakPolarHBondContact CB-OD1 3.38Å; I144-N146 PolarHBondContact O-N 3.47Å; N146-P148 VanDerWaalsContact C-CD 3.43Å; N146-P148 VanDerWaalsContact C-N 3.34Å; N146-T149 WeakPolarHBondContact O-CA 3.12Å; N146-T149 WeakPolarHBondContact O-CB 3.36Å; N146-T149 PolarHBondContact O-N 3.47Å; N146-W150 HydrophobicContact CB-CD2 4.07Å; N146-W150 HydrophobicContact CB-CH2 3.95Å; N146-W150 HydrophobicContact CB-CZ2 3.24Å; N146-W150 PolarHBondContact O-N 3.03Å; N146-W150 VanDerWaalsContact O-N 3.08Å
147A98.3Very high97.9Very high0 Ų032.6 Ų32.60%016%0.16CC..Hα-helixtrans-52-40.8-175.900000114.4I127 L140 I144 T149 W150 L151I127-A147 HydrophobicContact CD1-CB 4.11Å; I127-A147 HydrophobicContact CG2-CB 4.46Å; L140-A147 HydrophobicContact CD1-CB 3.85Å; L140-A147 HydrophobicContact CD2-CB 3.95Å; I144-A147 WeakPolarHBondContact O-CB 3.23Å; I144-A147 PolarHBondContact O-N 3.02Å; A147-T149 VanDerWaalsContact C-N 3.27Å; A147-T149 PolarHBondContact O-N 3.16Å; A147-W150 WeakPolarHBondContact O-CB 3.45Å; A147-W150 PolarHBondContact O-N 2.78Å; A147-L151 WeakPolarHBondContact O-CB 3.36Å; A147-L151 WeakPolarHBondContact O-CG 3.35Å; A147-L151 PolarHBondContact O-N 2.92Å
148P98.1Very high97.9Very high9 Ų928.8 Ų28.86%0.05815%0.145CC..Hα-helixtrans-59.2-37.3175.3-2434.3000113.4L140 I144 N146 L152 I175 I177 V201L140-P148 HydrophobicContact CD1-CG 4.15Å; I144-P148 HydrophobicContact CG2-CG 3.87Å; N146-P148 VanDerWaalsContact C-CD 3.43Å; N146-P148 VanDerWaalsContact C-N 3.34Å; P148-L152 WeakPolarHBondContact O-CG 3.38Å; P148-L152 PolarHBondContact O-N 2.93Å; P148-I175 HydrophobicContact CB-CG2 3.82Å; P148-I175 HydrophobicContact CG-CD1 4.01Å; P148-I175 HydrophobicContact CG-CG2 3.76Å; P148-I177 HydrophobicContact CB-CD1 3.77Å; P148-I177 HydrophobicContact CB-CG1 4.18Å; P148-V201 HydrophobicContact CB-CG1 4.34Å; P148-V201 HydrophobicContact CB-CG2 3.94Å; P148-V201 HydrophobicContact CG-CG2 4Å
149T97.4Very high97.9Very high10 Ų1028.8 Ų28.86%0.06115%0.145CC..Hα-helixtrans-71.7-41.9176.6-60.40000111.2A111 V114 N146 A147 L151 L152 R153A111-T149 HydrophobicContact CB-CG2 4.39Å; A111-T149 WeakPolarHBondContact CB-OG1 3.38Å; V114-T149 HydrophobicContact CB-CG2 4.1Å; V114-T149 HydrophobicContact CG1-CG2 3.84Å; N146-T149 WeakPolarHBondContact O-CA 3.12Å; N146-T149 WeakPolarHBondContact O-CB 3.36Å; N146-T149 PolarHBondContact O-N 3.47Å; A147-T149 VanDerWaalsContact C-N 3.27Å; A147-T149 PolarHBondContact O-N 3.16Å; T149-L151 PolarHBondContact O-N 2.96Å; T149-L152 PolarHBondContact O-N 2.51Å; T149-R153 HydrophobicContact CG2-CG 3.99Å; T149-R153 VanDerWaalsContact O-CB 3.31Å; T149-R153 WeakPolarHBondContact O-CB 3.34Å; T149-R153 VanDerWaalsContact O-CG 3.32Å; T149-R153 WeakPolarHBondContact O-CG 3.39Å; T149-R153 PolarHBondContact O-N 3.48Å
150W98.2Very high97.9Very high0 Ų026.3 Ų26.30%014%0.136CC..Hα-helixtrans-56.6-49.8175.1-51.5155.7000111.9A24 F25 L60 T61 V110 V114 I122 A125 I127 N146 A147 L152 R153 A154A24-W150 HydrophobicContact CB-CB 4.07Å; A24-W150 HydrophobicContact CB-CD2 3.6Å; A24-W150 HydrophobicContact CB-CE3 3.91Å; A24-W150 HydrophobicContact CB-CG 3.67Å; A24-W150 HydrophobicContact CB-CZ3 4.49Å; F25-W150 PolarHBondContact O-NE1 3.33Å; L60-W150 HydrophobicContact CB-CH2 4.39Å; L60-W150 HydrophobicContact CD1-CH2 4.2Å; L60-W150 HydrophobicContact CD2-CE3 4.47Å; L60-W150 HydrophobicContact CD2-CH2 3.15Å; L60-W150 HydrophobicContact CD2-CZ2 4.05Å; L60-W150 HydrophobicContact CD2-CZ3 3.37Å; L60-W150 HydrophobicContact CG-CH2 3.29Å; L60-W150 HydrophobicContact CG-CZ2 3.71Å; L60-W150 HydrophobicContact CG-CZ3 3.99Å; T61-W150 WeakPolarHBondContact O-CZ2 3.34Å; V110-W150 HydrophobicContact CG1-CH2 3.93Å; V110-W150 HydrophobicContact CG1-CZ2 4.44Å; V114-W150 HydrophobicContact CB-CZ3 4.04Å; V114-W150 HydrophobicContact CG1-CE3 4.31Å; V114-W150 HydrophobicContact CG1-CZ3 3.82Å; V114-W150 HydrophobicContact CG2-CE3 4.48Å; V114-W150 HydrophobicContact CG2-CH2 3.68Å; V114-W150 HydrophobicContact CG2-CZ3 3.31Å; I122-W150 HydrophobicContact CD1-CD2 4.36Å; I122-W150 HydrophobicContact CD1-CE3 3.25Å; I122-W150 HydrophobicContact CD1-CZ3 3.5Å; A125-W150 HydrophobicContact CB-CB 3.93Å; I127-W150 HydrophobicContact CD1-CB 3.88Å; I127-W150 HydrophobicContact CD1-CG 4.38Å; N146-W150 HydrophobicContact CB-CD2 4.07Å; N146-W150 HydrophobicContact CB-CH2 3.95Å; N146-W150 HydrophobicContact CB-CZ2 3.24Å; N146-W150 PolarHBondContact O-N 3.03Å; N146-W150 VanDerWaalsContact O-N 3.08Å; A147-W150 WeakPolarHBondContact O-CB 3.45Å; A147-W150 PolarHBondContact O-N 2.78Å; W150-L152 VanDerWaalsContact C-N 3.31Å; W150-L152 PolarHBondContact O-N 3.09Å; W150-R153 PolarHBondContact O-N 3.17Å; W150-A154 WeakPolarHBondContact O-CB 3.35Å; W150-A154 PolarHBondContact O-N 3.2Å
151L98.4Very high97.9Very high0 Ų027 Ų270%014%0.14CC..Hα-helixtrans-56.6-43.1178.7-80.5171.4000112.2I127 V138 L140 A147 T149 V157 I159 V201 I203I127-L151 HydrophobicContact CB-CD2 4.26Å; I127-L151 HydrophobicContact CD1-CG 4.41Å; I127-L151 HydrophobicContact CG1-CD2 3.78Å; I127-L151 HydrophobicContact CG1-CG 3.94Å; I127-L151 HydrophobicContact CG2-CD1 4.2Å; I127-L151 HydrophobicContact CG2-CD2 4.26Å; I127-L151 HydrophobicContact CG2-CG 4.3Å; V138-L151 HydrophobicContact CB-CD1 4.18Å; V138-L151 HydrophobicContact CG1-CD1 4.17Å; V138-L151 HydrophobicContact CG2-CD2 4.24Å; L140-L151 HydrophobicContact CD2-CD1 4.24Å; A147-L151 WeakPolarHBondContact O-CB 3.36Å; A147-L151 WeakPolarHBondContact O-CG 3.35Å; A147-L151 PolarHBondContact O-N 2.92Å; T149-L151 PolarHBondContact O-N 2.96Å; L151-V157 HydrophobicContact CD2-CG1 3.73Å; L151-V157 HydrophobicContact CD2-CG2 4.32Å; L151-I159 HydrophobicContact CD2-CD1 4.17Å; L151-V201 HydrophobicContact CB-CG1 4.06Å; L151-V201 HydrophobicContact CD1-CB 3.69Å; L151-V201 HydrophobicContact CD1-CG1 3.86Å; L151-V201 HydrophobicContact CD1-CG2 3.76Å; L151-I203 HydrophobicContact CB-CG2 3.69Å; L151-I203 HydrophobicContact CD2-CD1 4.07Å; L151-I203 HydrophobicContact CD2-CG2 4.41Å; L151-I203 WeakPolarHBondContact O-CG2 3.42Å
152L96.7Very high97.9Very high69 Ų6926.7 Ų26.736%0.36114%0.138SC..Hα-helixtrans-73.4-39.3177.9-70.5-174.5000113.3P148 T149 W150 I177 I203 K207P148-L152 WeakPolarHBondContact O-CG 3.38Å; P148-L152 PolarHBondContact O-N 2.93Å; T149-L152 PolarHBondContact O-N 2.51Å; W150-L152 VanDerWaalsContact C-N 3.31Å; W150-L152 PolarHBondContact O-N 3.09Å; L152-I177 HydrophobicContact CD1-CD1 3.35Å; L152-I177 HydrophobicContact CD1-CG2 4.19Å; L152-I177 HydrophobicContact CG-CD1 4.12Å; L152-I203 HydrophobicContact CD2-CG2 4.31Å; L152-K207 PolarHBondContact O-NZ 3.28Å
153R96.9Very high98Very high108 Ų10829.5 Ų29.541%0.40815%0.145SC..Hα-helixtrans-94.9-24-167.4-63.4-57.3-62.6-121.6-3.8114.7V114 N115 I122 T149 W150V114-R153 HydrophobicContact CG1-CB 4.25Å; V114-R153 HydrophobicContact CG1-CG 4.22Å; N115-R153 PolarHBondContact O-NH1 3.14Å; N115-R153 PolarHBondContact O-NH2 2.86Å; N115-R153 WeakPolarHBondContact OD1-CD 3.25Å; N115-R153 WeakPolarHBondContact OD1-CG 3.2Å; N115-R153 PolarHBondContact OD1-NH1 3.15Å; I122-R153 HydrophobicContact CD1-CB 4.29Å; T149-R153 HydrophobicContact CG2-CG 3.99Å; T149-R153 VanDerWaalsContact O-CB 3.31Å; T149-R153 WeakPolarHBondContact O-CB 3.34Å; T149-R153 VanDerWaalsContact O-CG 3.32Å; T149-R153 WeakPolarHBondContact O-CG 3.39Å; T149-R153 PolarHBondContact O-N 3.48Å; W150-R153 PolarHBondContact O-N 3.17Å
154A98.5Very high98.1Very high0 Ų035.2 Ų35.20%017%0.165CC..  trans-66.8145.8-179.400000112.5I122 A125 W150 K156 V157 K207I122-A154 HydrophobicContact CB-CB 4.16Å; I122-A154 HydrophobicContact CG2-CB 3.64Å; I122-A154 CarbonylContact O-C 3.57Å; I122-A154 VanDerWaalsContact O-CA 3.31Å; I122-A154 WeakPolarHBondContact O-CA 3.44Å; A125-A154 HydrophobicContact CB-CB 3.51Å; W150-A154 WeakPolarHBondContact O-CB 3.35Å; W150-A154 PolarHBondContact O-N 3.2Å; A154-K156 WeakPolarHBondContact CB-O 3.21Å; A154-V157 HydrophobicContact CB-CG2 4.48Å; A154-K207 WeakPolarHBondContact O-CE 3.23Å; A154-K207 PolarHBondContact O-NZ 2.9Å
155K98.4Very high98.1Very high103 Ų10333.5 Ų33.545%0.44816%0.156SC..SBendtrans-68.4-42.4173.1-64.1171.2-175.6154.70110.8D121 I122 D123D121-K155 WeakPolarHBondContact OD2-CE 3.49Å; D121-K155 IonicContact OD2-NZ 2.72Å; D121-K155 PolarHBondContact OD2-NZ 3.41Å; I122-K155 PolarHBondContact O-N 3.27Å; D123-K155 IonicContact OD1-NZ 3.73Å; D123-K155 PolarHBondContact OD1-NZ 2.88Å
156K98.6Very high98.1Very high85 Ų8536.9 Ų36.937%0.3717%0.167SC..EExtended strand (participates in β ladder)trans-126.4148.1178-58.3175.7-171.2168.50110.4I16 D123 V124 A125 A154 K207 V209I16-K156 HydrophobicContact CG2-CD 3.86Å; D123-K156 PolarHBondContact O-N 3.15Å; D123-K156 VanDerWaalsContact O-N 3.1Å; V124-K156 CarbonylContact C-O 3.59Å; V124-K156 WeakPolarHBondContact CA-O 3.3Å; V124-K156 HydrophobicContact CG2-CB 4.39Å; A125-K156 PolarHBondContact N-O 3.36Å; A154-K156 WeakPolarHBondContact CB-O 3.21Å; K156-K207 CarbonylContact C-O 3.59Å; K156-V209 HydrophobicContact CB-CG1 4.04Å; K156-V209 HydrophobicContact CB-CG2 3.93Å; K156-V209 HydrophobicContact CD-CG1 4.33Å; K156-V209 HydrophobicContact CG-CG1 3.99Å
157V98.8Very high98.1Very high0 Ų039.9 Ų39.90%019%0.188CC..EExtended strand (participates in β ladder)trans-125.3127.3177.8177.10000108.9A125 L151 A154 I159 I203 K207 I208 V209A125-V157 HydrophobicContact CB-CG2 4.42Å; A125-V157 CarbonylContact O-C 3.55Å; A125-V157 WeakPolarHBondContact O-CA 3.12Å; L151-V157 HydrophobicContact CD2-CG1 3.73Å; L151-V157 HydrophobicContact CD2-CG2 4.32Å; A154-V157 HydrophobicContact CB-CG2 4.48Å; V157-I159 HydrophobicContact CG1-CD1 3.48Å; V157-I159 VanDerWaalsContact CG1-CD1 3.48Å; V157-I159 HydrophobicContact CG1-CG1 4Å; V157-I203 HydrophobicContact CG1-CD1 4.42Å; V157-I203 HydrophobicContact CG2-CD1 4.3Å; V157-K207 HydrophobicContact CG2-CB 4.11Å; V157-K207 PolarHBondContact N-O 3.36Å; V157-I208 CarbonylContact O-C 3.59Å; V157-I208 WeakPolarHBondContact O-CA 3.45Å; V157-V209 WeakPolarHBondContact O-CG2 3.34Å; V157-V209 PolarHBondContact O-N 3.3Å
158I98.8Very high98Very high0 Ų047.2 Ų47.20%022%0.216CC..EExtended strand (participates in β ladder)trans-106.2124.2166.9-59.4176.6000106.3A13 I16 I17 L37 V124 A125 V126 I127 V209 A210 V212A13-I158 HydrophobicContact CB-CD1 4.31Å; A13-I158 HydrophobicContact CB-CG2 4.13Å; A13-I158 WeakPolarHBondContact O-CD1 3.44Å; I16-I158 HydrophobicContact CB-CD1 4.45Å; I16-I158 HydrophobicContact CD1-CD1 4.45Å; I17-I158 HydrophobicContact CD1-CD1 4.19Å; I17-I158 HydrophobicContact CG1-CD1 4.23Å; L37-I158 HydrophobicContact CD2-CG2 4.29Å; L37-I158 HydrophobicContact CG-CG2 4.41Å; V124-I158 HydrophobicContact CG1-CD1 3.78Å; V124-I158 HydrophobicContact CG1-CG1 3.94Å; A125-I158 PolarHBondContact O-N 2.76Å; V126-I158 WeakPolarHBondContact CA-O 3.47Å; V126-I158 HydrophobicContact CG1-CG2 4.43Å; V126-I158 HydrophobicContact CG2-CB 4.35Å; V126-I158 HydrophobicContact CG2-CD1 4.44Å; I127-I158 PolarHBondContact N-O 3.02Å; I158-V209 HydrophobicContact CG1-CG2 4.11Å; I158-A210 WeakPolarHBondContact CA-O 3.46Å; I158-A210 HydrophobicContact CG1-CB 4.18Å; I158-A210 HydrophobicContact CG2-CB 4.14Å; I158-V212 HydrophobicContact CG2-CG2 4.35Å
159I98.8Very high98Very high0 Ų048.2 Ų48.20%022%0.222CC..EExtended strand (participates in β ladder)trans-100.1122175.3-58.6-62.4000108.9I127 A129 L132 V138 L151 V157 L161 I208 A210 V211 V212I127-I159 HydrophobicContact CB-CD1 4.04Å; I127-I159 HydrophobicContact CG2-CD1 4.46Å; I127-I159 CarbonylContact O-C 3.57Å; I127-I159 WeakPolarHBondContact O-CA 3.47Å; A129-I159 HydrophobicContact CB-CG2 3.69Å; L132-I159 HydrophobicContact CD2-CG1 4.38Å; V138-I159 HydrophobicContact CG1-CD1 4.06Å; V138-I159 HydrophobicContact CG2-CD1 4.31Å; L151-I159 HydrophobicContact CD2-CD1 4.17Å; V157-I159 HydrophobicContact CG1-CD1 3.48Å; V157-I159 VanDerWaalsContact CG1-CD1 3.48Å; V157-I159 HydrophobicContact CG1-CG1 4Å; I159-L161 HydrophobicContact CG2-CB 4.41Å; I159-I208 HydrophobicContact CG1-CG2 4.11Å; I159-A210 PolarHBondContact N-O 3.15Å; I159-V211 HydrophobicContact CB-CG2 4.29Å; I159-V211 CarbonylContact O-C 3.59Å; I159-V211 WeakPolarHBondContact O-CA 3.28Å; I159-V212 PolarHBondContact O-N 3.14Å
160E98.6Very high97.9Very high0 Ų048 Ų480%022%0.22CC..EExtended strand (participates in β ladder)trans-84.6103.1158.1-78.9-167.8-16000108.4P34 K35 A36 L37 I127 E128 A129 N162 V212 T214P34-E160 HydrophobicContact CB-CG 4.45Å; P34-E160 WeakPolarHBondContact CB-OE1 3.17Å; K35-E160 PolarHBondContact N-OE1 2.92Å; K35-E160 PolarHBondContact N-OE2 3.14Å; A36-E160 PolarHBondContact N-OE1 3.35Å; A36-E160 PolarHBondContact N-OE2 3.34Å; L37-E160 WeakPolarHBondContact CB-OE1 3.48Å; L37-E160 HydrophobicContact CD2-CG 3.78Å; L37-E160 VanDerWaalsContact CD2-OE1 3.27Å; L37-E160 WeakPolarHBondContact CD2-OE1 3.35Å; L37-E160 PolarHBondContact N-OE1 3.44Å; I127-E160 PolarHBondContact O-N 3.48Å; E128-E160 CarbonylContact C-O 3.52Å; E128-E160 WeakPolarHBondContact CA-O 3.38Å; A129-E160 PolarHBondContact N-O 2.96Å; E160-N162 PolarHBondContact O-N 3.3Å; E160-V212 CarbonylContact C-O 3.58Å; E160-V212 WeakPolarHBondContact CA-O 3.47Å; E160-V212 HydrophobicContact CG-CB 4.36Å; E160-T214 HydrophobicContact CB-CG2 4.48Å; E160-T214 HydrophobicContact CG-CG2 4.3Å
161L98.4Very high97.9Very high20 Ų2051.6 Ų51.611%0.10524%0.237CC..EExtended strand (participates in β ladder)trans-84.3100.3176.7-174.659.6000108.4A129 I159 V211 V212 E213 T214A129-L161 HydrophobicContact CB-CD1 4.46Å; I159-L161 HydrophobicContact CG2-CB 4.41Å; L161-V211 HydrophobicContact CB-CG1 4.02Å; L161-V212 PolarHBondContact N-O 2.94Å; L161-E213 WeakPolarHBondContact CD2-OE2 3.49Å; L161-T214 PolarHBondContact O-N 3.35Å
162N98.4Very high97.8Very high0 Ų058.1 Ų58.10%027%0.272CS..EExtended strand (participates in β ladder)trans-99.5105-169.7-171.4-2000112.2K35 E128 A129 E160 Y164 H165 T214 N215 L216K35-N162 WeakPolarHBondContact CD-ND2 3.29Å; E128-N162 HydrophobicContact CG-CB 3.88Å; E128-N162 PolarHBondContact OE1-ND2 3.41Å; A129-N162 PolarHBondContact O-N 2.79Å; E160-N162 PolarHBondContact O-N 3.3Å; N162-Y164 PolarHBondContact O-N 2.81Å; N162-Y164 VanDerWaalsContact OD1-CB 3.25Å; N162-Y164 WeakPolarHBondContact OD1-CB 3.41Å; N162-Y164 PolarHBondContact OD1-N 3.06Å; N162-H165 PolarHBondContact O-N 3.33Å; N162-T214 CarbonylContact C-O 3.49Å; N162-T214 WeakPolarHBondContact CA-O 3.29Å; N162-T214 VanDerWaalsContact CA-OG1 3.32Å; N162-T214 WeakPolarHBondContact CA-OG1 3.09Å; N162-T214 VanDerWaalsContact CB-OG1 3.23Å; N162-T214 WeakPolarHBondContact CB-OG1 3.24Å; N162-N215 VanDerWaalsContact OD1-CA 3.32Å; N162-N215 WeakPolarHBondContact OD1-CA 3.3Å; N162-L216 PolarHBondContact ND2-O 3.47Å; N162-L216 PolarHBondContact OD1-N 3.28Å; N162-L216 PolarHBondContact OD1-O 2.8Å
163H98.1Very high97.8Very high112 Ų11255.2 Ų55.252%0.51926%0.258SS..THydrogen-bonded Turntrans-71.8-4-179.4-61.2-74.2000114.3H165 E213 T214 N215H163-H165 VanDerWaalsContact C-N 3.28Å; H163-E213 IonicContact CD2-OE2 3.64Å; H163-E213 IonicContact CE1-OE2 3.6Å; H163-E213 IonicContact NE2-OE2 2.69Å; H163-E213 PolarHBondContact NE2-OE2 3.46Å; H163-T214 PolarHBondContact CD2-O 3.41Å; H163-T214 VanDerWaalsContact CD2-O 3.28Å; H163-T214 PolarHBondContact N-O 2.88Å; H163-N215 HydrophobicContact CB-CB 4.36Å
164Y98.3Very high97.9Very high126 Ų12652.4 Ų52.449%0.49425%0.251SS..THydrogen-bonded Turntrans-66.4-35.2172179-94.3000111.4N162 N215 L216 P217N162-Y164 PolarHBondContact O-N 2.81Å; N162-Y164 VanDerWaalsContact OD1-CB 3.25Å; N162-Y164 WeakPolarHBondContact OD1-CB 3.41Å; N162-Y164 PolarHBondContact OD1-N 3.06Å; Y164-N215 WeakPolarHBondContact CA-OD1 3.1Å; Y164-N215 WeakPolarHBondContact CB-OD1 3.48Å; Y164-N215 PolarHBondContact N-OD1 3.02Å; Y164-N215 VanDerWaalsContact N-OD1 3.11Å; Y164-L216 WeakPolarHBondContact CB-O 3.44Å; Y164-P217 HydrophobicContact CD1-CB 4.27Å; Y164-P217 HydrophobicContact CD2-CB 4.1Å; Y164-P217 HydrophobicContact CE1-CB 3.86Å; Y164-P217 HydrophobicContact CE2-CB 3.67Å; Y164-P217 HydrophobicContact CG-CB 4.39Å
165H97.9Very high97.8Very high17 Ų1753.1 Ų53.18%0.07925%0.254CS..SBendtrans-85.3128.8179.1-63.6-79.8000110.2E128 T141 N162 H163 V169 D218E128-H165 IonicContact OE2-NE2 3.33Å; T141-H165 HydrophobicContact CG2-CB 4.07Å; T141-H165 VanDerWaalsContact CG2-CD2 3.44Å; T141-H165 WeakPolarHBondContact CG2-CD2 3.47Å; N162-H165 PolarHBondContact O-N 3.33Å; H163-H165 VanDerWaalsContact C-N 3.28Å; H165-V169 HydrophobicContact CB-CG1 4.14Å; H165-D218 IonicContact CE1-OD2 3.9Å; H165-D218 PolarHBondContact CE1-OD2 2.9Å; H165-D218 IonicContact NE2-OD1 3.07Å; H165-D218 IonicContact NE2-OD2 3.67Å
166D97.5Very high97.7Very high99 Ų9951.2 Ų51.253%0.52925%0.251SS..  trans-57.5131.4166.3-171.4-53.8000108.8R168 V169D166-R168 PolarHBondContact O-N 2.84Å; D166-R168 WeakPolarHBondContact OD1-CB 3.33Å; D166-R168 WeakPolarHBondContact OD1-CG 3.42Å; D166-R168 PolarHBondContact OD1-N 3.16Å; D166-V169 VanDerWaalsContact O-CB 3.32Å; D166-V169 WeakPolarHBondContact O-CB 3.34Å; D166-V169 VanDerWaalsContact O-CG1 3.23Å; D166-V169 WeakPolarHBondContact O-CG1 3.08Å; D166-V169 PolarHBondContact O-N 2.77Å
167P96.1Very high97.3Very high79 Ų7950.2 Ų50.251%0.51325%0.249SC..G310 helixtrans-51.1-25.7176.1-29.736.6000114.3V169 A170P167-V169 PolarHBondContact O-N 2.75Å; P167-A170 PolarHBondContact O-N 3.01Å
168R97.5Very high96.8Very high154 Ų15452.7 Ų52.758%0.58127%0.265SS*.G310 helixtrans-68.9-13.1175.7-61.8-178.465.2-158.8-9.5113.9D166 A170 E171D166-R168 PolarHBondContact O-N 2.84Å; D166-R168 WeakPolarHBondContact OD1-CB 3.33Å; D166-R168 WeakPolarHBondContact OD1-CG 3.42Å; D166-R168 PolarHBondContact OD1-N 3.16Å; R168-A170 PolarHBondContact O-N 3.01Å; R168-A170 VanDerWaalsContact O-N 3.09Å; R168-E171 HydrophobicContact CB-CG 4.42Å; R168-E171 WeakPolarHBondContact CG-OE1 3.35Å; R168-E171 IonicContact CZ-OE1 2.84Å; R168-E171 IonicContact CZ-OE2 2.94Å; R168-E171 IonicContact NE-OE1 3.95Å; R168-E171 PolarHBondContact NE-OE1 2.82Å; R168-E171 VanDerWaalsContact NE-OE1 3.07Å; R168-E171 IonicContact NE-OE2 3.96Å; R168-E171 IonicContact NH2-OE1 3.87Å; R168-E171 IonicContact NH2-OE2 3.57Å; R168-E171 PolarHBondContact NH2-OE2 3Å; R168-E171 WeakPolarHBondContact O-CB 3.34Å; R168-E171 WeakPolarHBondContact O-CG 3.22Å; R168-E171 PolarHBondContact O-N 3.05Å
169V98Very high96.2Very high31 Ų3154.6 Ų54.619%0.18829%0.285CS..G310 helixtrans-52.9-32.8172.673.10000111.2H165 D166 P167 E171 L172H165-V169 HydrophobicContact CB-CG1 4.14Å; D166-V169 VanDerWaalsContact O-CB 3.32Å; D166-V169 WeakPolarHBondContact O-CB 3.34Å; D166-V169 VanDerWaalsContact O-CG1 3.23Å; D166-V169 WeakPolarHBondContact O-CG1 3.08Å; D166-V169 PolarHBondContact O-N 2.77Å; P167-V169 PolarHBondContact O-N 2.75Å; V169-E171 PolarHBondContact O-N 3.05Å; V169-L172 VanDerWaalsContact O-CB 3.3Å; V169-L172 WeakPolarHBondContact O-CB 3.37Å; V169-L172 WeakPolarHBondContact O-CG 3.5Å; V169-L172 PolarHBondContact O-N 2.91Å; V169-L172 VanDerWaalsContact O-N 3.09Å
170A95.8Very high95.5Very high4 Ų457.5 Ų57.53%0.03331%0.309CS..G310 helixtrans-72.7-10.1179.600000114W139 P167 R168 L172 A173 R199W139-A170 HydrophobicContact CB-CB 3.68Å; W139-A170 HydrophobicContact CG-CB 3.98Å; P167-A170 PolarHBondContact O-N 3.01Å; R168-A170 PolarHBondContact O-N 3.01Å; R168-A170 VanDerWaalsContact O-N 3.09Å; A170-L172 PolarHBondContact O-N 3.46Å; A170-A173 PolarHBondContact O-N 3.42Å; A170-R199 WeakPolarHBondContact O-CB 3.15Å
171E97.1Very high95.2Very high77 Ų7761 Ų6136%0.3633%0.331SS..G310 helixtrans-61.6-23.6167.2-63.6173.8-169.600111.7R168 V169 R195R168-E171 HydrophobicContact CB-CG 4.42Å; R168-E171 WeakPolarHBondContact CG-OE1 3.35Å; R168-E171 IonicContact CZ-OE1 2.84Å; R168-E171 IonicContact CZ-OE2 2.94Å; R168-E171 IonicContact NE-OE1 3.95Å; R168-E171 PolarHBondContact NE-OE1 2.82Å; R168-E171 VanDerWaalsContact NE-OE1 3.07Å; R168-E171 IonicContact NE-OE2 3.96Å; R168-E171 IonicContact NH2-OE1 3.87Å; R168-E171 IonicContact NH2-OE2 3.57Å; R168-E171 PolarHBondContact NH2-OE2 3Å; R168-E171 WeakPolarHBondContact O-CB 3.34Å; R168-E171 WeakPolarHBondContact O-CG 3.22Å; R168-E171 PolarHBondContact O-N 3.05Å; V169-E171 PolarHBondContact O-N 3.05Å; E171-R195 PolarHBondContact O-NH1 3.13Å; E171-R195 PolarHBondContact O-NH2 3.31Å
172L96.7Very high95Very high137 Ų13766.3 Ų66.372%0.71737%0.367SS*.G310 helixtrans-79.2-20.5177.8-56.2178000113V169 A170V169-L172 VanDerWaalsContact O-CB 3.3Å; V169-L172 WeakPolarHBondContact O-CB 3.37Å; V169-L172 WeakPolarHBondContact O-CG 3.5Å; V169-L172 PolarHBondContact O-N 2.91Å; V169-L172 VanDerWaalsContact O-N 3.09Å; A170-L172 PolarHBondContact O-N 3.46Å
173A97.6Very high94.6Very high8 Ų876.5 Ų76.57%0.06641%0.406CS..  trans-74.9147.2-177.800000112.4I144 A170 I175 R195I144-A173 HydrophobicContact CD1-CB 3.95Å; A170-A173 PolarHBondContact O-N 3.42Å; A173-I175 HydrophobicContact CB-CD1 4.28Å; A173-I175 HydrophobicContact CB-CG1 4.45Å; A173-R195 PolarHBondContact O-NH1 3.08Å
174D98Very high94.3Very high49 Ų4975.4 Ų75.426%0.26240%0.397SS..  trans-137.5102.3166.2-168.949.3000108.8R195 V196 G197D174-R195 HydrophobicContact CB-CG 4.46Å; D174-R195 WeakPolarHBondContact OD2-CA 3.45Å; D174-V196 PolarHBondContact OD1-N 3.25Å; D174-V196 PolarHBondContact OD2-N 3.37Å; D174-G197 VanDerWaalsContact OD1-CA 3.26Å; D174-G197 WeakPolarHBondContact OD1-CA 3.48Å; D174-G197 PolarHBondContact OD1-N 3.47Å; D174-G197 PolarHBondContact OD2-N 3.27Å
175I97.3Very high93.8Very high14 Ų1475.9 Ų75.97%0.07241%0.408CS..BIsolated β-bridgetrans-102.5113.5-170.6-52.4-56.5000109.5L140 I144 P148 A173 I177 G197 T198 V201L140-I175 HydrophobicContact CD1-CD1 4.41Å; I144-I175 HydrophobicContact CD1-CD1 4.01Å; I144-I175 HydrophobicContact CG1-CD1 4.25Å; I144-I175 HydrophobicContact CG2-CD1 3.57Å; P148-I175 HydrophobicContact CB-CG2 3.82Å; P148-I175 HydrophobicContact CG-CD1 4.01Å; P148-I175 HydrophobicContact CG-CG2 3.76Å; A173-I175 HydrophobicContact CB-CD1 4.28Å; A173-I175 HydrophobicContact CB-CG1 4.45Å; I175-I177 HydrophobicContact CG2-CG1 4.38Å; I175-G197 CarbonylContact O-C 3.57Å; I175-G197 WeakPolarHBondContact O-CA 3.45Å; I175-T198 WeakPolarHBondContact CB-O 3.46Å; I175-T198 WeakPolarHBondContact CG1-O 3.18Å; I175-T198 PolarHBondContact N-O 3.03Å; I175-T198 PolarHBondContact O-N 3.15Å; I175-V201 HydrophobicContact CG1-CG2 4.49Å; I175-V201 HydrophobicContact CG2-CG2 4.24Å
176V94.7Very high93.5Very high64 Ų6480 Ų8039%0.38844%0.438SS..  trans-124.5136.6169.863.40000109.2V187 V196V176-V187 HydrophobicContact CG1-CG1 4.03Å; V176-V196 HydrophobicContact CB-CG2 4.15Å; V176-V196 HydrophobicContact CG1-CG2 3.99Å; V176-V196 HydrophobicContact CG2-CG2 4.48Å
177I91Very high93.4Very high64 Ų6478.1 Ų78.133%0.32843%0.431SS..  trans-120.7103.2178.6-58.3176.2000107P148 L152 I175P148-I177 HydrophobicContact CB-CD1 3.77Å; P148-I177 HydrophobicContact CB-CG1 4.18Å; L152-I177 HydrophobicContact CD1-CD1 3.35Å; L152-I177 HydrophobicContact CD1-CG2 4.19Å; L152-I177 HydrophobicContact CG-CD1 4.12Å; I175-I177 HydrophobicContact CG2-CG1 4.38Å
178P88.7Confident93.3Very high51 Ų5177.3 Ų77.333%0.33143%0.427SS..PPolyproline II helixtrans-60.8143177.9-21.432.3000110.8R184 V187P178-R184 HydrophobicContact CB-CG 4.09Å; P178-V187 HydrophobicContact CB-CG2 4.49Å; P178-V187 HydrophobicContact CG-CG2 3.88Å
179G84.8Confident93.2Very high41 Ų4174.3 Ų74.342%0.42342%0.421SS..PPolyproline II helixtrans-59.7166.1172.200000112.8R184G179-R184 WeakPolarHBondContact O-CB 2.96Å; G179-R184 WeakPolarHBondContact O-CG 3.27Å; G179-R184 PolarHBondContact O-NE 2.76Å
180A86Confident93.1Very high60 Ų6080.5 Ų80.550%0.49645%0.446SS..PPolyproline II helixtrans-79.5152.2172.500000111.5R183 R184A180-R183 PolarHBondContact O-N 2.89Å; A180-R184 PolarHBondContact O-N 2.48Å
181P91.7Very high93.1Very high73 Ų7386.6 Ų86.647%0.47447%0.474SS..THydrogen-bonded Turntrans-53.1151.1164.6-23.534.2000111.9Y116Y116-P181 HydrophobicContact CE1-CG 4.02Å; Y116-P181 WeakPolarHBondContact OH-CD 3.48Å; Y116-P181 WeakPolarHBondContact OH-CG 3.45Å
182P94Very high93Very high132 Ų13287 Ų8786%0.85749%0.49SS*.THydrogen-bonded Turncis-880.2734.2-34.8000114.5
183R89.8Confident92.9Very high215 Ų21588.5 Ų88.581%0.81150%0.495SS*.SBendtrans-112.235.5-173-55.9-174.9-172.4-141.71.4112.9A180 N185A180-R183 PolarHBondContact O-N 2.89Å; R183-N185 PolarHBondContact O-N 3.37Å
184R92.5Very high92.9Very high89 Ų8990.8 Ų90.834%0.33651%0.507SS..PPolyproline II helixtrans-67.5118.9173.6178.5177.4-71.4174.1-3.4108.7Y116 P178 G179 A180Y116-R184 VanDerWaalsContact OH-CZ 3.24Å; Y116-R184 PolarHBondContact OH-NH1 2.64Å; Y116-R184 PolarHBondContact OH-NH2 3.11Å; P178-R184 HydrophobicContact CB-CG 4.09Å; G179-R184 WeakPolarHBondContact O-CB 2.96Å; G179-R184 WeakPolarHBondContact O-CG 3.27Å; G179-R184 PolarHBondContact O-NE 2.76Å; A180-R184 PolarHBondContact O-N 2.48Å
185N88Confident92.9Very high136 Ų13694.7 Ų94.773%0.72752%0.518SS*.PPolyproline II helixtrans-73.6157.7173.2-66.8-36.5000111.1R183R183-N185 PolarHBondContact O-N 3.37Å
186S91.7Very high92.9Very high102 Ų10296.5 Ų96.571%0.71353%0.53SS*.PPolyproline II helixtrans-59.9145.8166.453.80000110.8
187V93.7Very high93Very high61 Ų6195.1 Ų95.137%0.3753%0.528SS..  trans-91.4114.3166.9-173.10000107V176 P178 I189 V196V176-V187 HydrophobicContact CG1-CG1 4.03Å; P178-V187 HydrophobicContact CB-CG2 4.49Å; P178-V187 HydrophobicContact CG-CG2 3.88Å; V187-I189 HydrophobicContact CG1-CD1 3.67Å; V187-I189 HydrophobicContact CG1-CG1 3.96Å; V187-I189 PolarHBondContact O-N 2.62Å; V187-V196 HydrophobicContact CG1-CG2 4.03Å
188S93.9Very high93.3Very high62 Ų6295 Ų9543%0.43453%0.53SS..  trans-79.356.7-170.2-61.80000113.5V196S188-V196 VanDerWaalsContact O-CG1 3.3Å; S188-V196 WeakPolarHBondContact O-CG1 3.32Å
189I96.8Very high93.7Very high90 Ų9098.9 Ų98.946%0.46254%0.538SS..  trans-100.7114.7174.1-63.3164.8000107.8V187 D194 V196V187-I189 HydrophobicContact CG1-CD1 3.67Å; V187-I189 HydrophobicContact CG1-CG1 3.96Å; V187-I189 PolarHBondContact O-N 2.62Å; I189-D194 HydrophobicContact CG2-CB 4.48Å; I189-V196 HydrophobicContact CD1-CG2 4.12Å; I189-V196 HydrophobicContact CG1-CG1 3.94Å; I189-V196 HydrophobicContact CG1-CG2 3.91Å
190F96.1Very high94.4Very high162 Ų162100.5 Ų100.571%0.71153%0.532SS*.  trans-116.4-21179.7-57-73.5000112.2D194F190-D194 WeakPolarHBondContact CA-OD2 3.49Å; F190-D194 PolarHBondContact N-OD2 3.46Å
191H95.6Very high95Very high131 Ų13197.9 Ų97.961%0.60651%0.51SS*.SBendtrans-128.9152.8173-56.289.9000110.9M193 D194H191-M193 PolarHBondContact O-N 3.38Å; H191-D194 PolarHBondContact N-OD2 3.02Å; H191-D194 IonicContact ND1-OD1 2.72Å; H191-D194 IonicContact ND1-OD2 3.18Å; H191-D194 WeakPolarHBondContact O-CB 3.49Å; H191-D194 PolarHBondContact O-N 3.24Å
192A94.6Very high95.3Very high86 Ų8698.6 Ų98.671%0.71151%0.507SS*.THydrogen-bonded Turntrans-61.3-16.2-178.300000114.5
193M95.2Very high95.4Very high168 Ų16892.8 Ų92.883%0.82847%0.468SS*.THydrogen-bonded Turntrans-104.7-0.2-179.7-63-59.4-63.400113.6H191 R195H191-M193 PolarHBondContact O-N 3.38Å; M193-R195 PolarHBondContact O-N 2.78Å
194D97.7Very high95.8Very high56 Ų5686.4 Ų86.430%0.29945%0.451SS..  trans-62.1137.8178.6-71.4-17.3000110.2I189 F190 H191I189-D194 HydrophobicContact CG2-CB 4.48Å; F190-D194 WeakPolarHBondContact CA-OD2 3.49Å; F190-D194 PolarHBondContact N-OD2 3.46Å; H191-D194 PolarHBondContact N-OD2 3.02Å; H191-D194 IonicContact ND1-OD1 2.72Å; H191-D194 IonicContact ND1-OD2 3.18Å; H191-D194 WeakPolarHBondContact O-CB 3.49Å; H191-D194 PolarHBondContact O-N 3.24Å
195R97.5Very high96Very high131 Ų13183.4 Ų83.449%0.49444%0.443SS..  trans-113.6122.3171.3-70.4-179172-96.17109.1E171 A173 D174 M193E171-R195 PolarHBondContact O-NH1 3.13Å; E171-R195 PolarHBondContact O-NH2 3.31Å; A173-R195 PolarHBondContact O-NH1 3.08Å; D174-R195 HydrophobicContact CB-CG 4.46Å; D174-R195 WeakPolarHBondContact OD2-CA 3.45Å; M193-R195 PolarHBondContact O-N 2.78Å
196V97Very high96.4Very high53 Ų5384 Ų8432%0.32144%0.439SS..  trans-123.3-0.5-172.7-60.70000112.9D174 V176 V187 S188 I189D174-V196 PolarHBondContact OD1-N 3.25Å; D174-V196 PolarHBondContact OD2-N 3.37Å; V176-V196 HydrophobicContact CB-CG2 4.15Å; V176-V196 HydrophobicContact CG1-CG2 3.99Å; V176-V196 HydrophobicContact CG2-CG2 4.48Å; V187-V196 HydrophobicContact CG1-CG2 4.03Å; S188-V196 VanDerWaalsContact O-CG1 3.3Å; S188-V196 WeakPolarHBondContact O-CG1 3.32Å; I189-V196 HydrophobicContact CD1-CG2 4.12Å; I189-V196 HydrophobicContact CG1-CG1 3.94Å; I189-V196 HydrophobicContact CG1-CG2 3.91Å
197G96.8Very high96.7Very high34 Ų3481.8 Ų81.835%0.35142%0.416SS..SBendtrans-127.7-155.3-171.500000114.4D174 I175D174-G197 VanDerWaalsContact OD1-CA 3.26Å; D174-G197 WeakPolarHBondContact OD1-CA 3.48Å; D174-G197 PolarHBondContact OD1-N 3.47Å; D174-G197 PolarHBondContact OD2-N 3.27Å; I175-G197 CarbonylContact O-C 3.57Å; I175-G197 WeakPolarHBondContact O-CA 3.45Å
198T97.3Very high96.9Very high62 Ų6279.1 Ų79.138%0.3840%0.4SS..BIsolated β-bridgetrans-113.7163.3179.153.60000111.5I175 Y200I175-T198 WeakPolarHBondContact CB-O 3.46Å; I175-T198 WeakPolarHBondContact CG1-O 3.18Å; I175-T198 PolarHBondContact N-O 3.03Å; I175-T198 PolarHBondContact O-N 3.15Å; T198-Y200 VanDerWaalsContact C-N 3.3Å; T198-Y200 PolarHBondContact OG1-O 2.91Å
199R97.8Very high97Very high133 Ų13378.3 Ų78.350%0.50239%0.392SS..SBendtrans-86.9-0.6176.3-66.6173.4-176.6179.73.8114W139 A170W139-R199 VanDerWaalsContact CD1-O 3.23Å; A170-R199 WeakPolarHBondContact O-CB 3.15Å
200Y98.1Very high97.1Very high74 Ų7474 Ų7429%0.2937%0.37SS..SBendtrans-141.5163.5-177.461.8-93.6000109.8R137 V138 W139 T198 Q202R137-Y200 HydrophobicContact CB-CD2 3.92Å; R137-Y200 HydrophobicContact CB-CE2 4.42Å; R137-Y200 HydrophobicContact CB-CG 4.26Å; R137-Y200 HydrophobicContact CG-CD2 3.59Å; R137-Y200 HydrophobicContact CG-CE2 3.6Å; R137-Y200 HydrophobicContact CG-CG 4.25Å; V138-Y200 WeakPolarHBondContact O-CA 3.39Å; V138-Y200 WeakPolarHBondContact O-CB 3.25Å; W139-Y200 HydrophobicContact CZ2-CD1 4.22Å; W139-Y200 HydrophobicContact CZ2-CG 4.42Å; T198-Y200 VanDerWaalsContact C-N 3.3Å; T198-Y200 PolarHBondContact OG1-O 2.91Å; Y200-Q202 HydrophobicContact CE2-CB 4.19Å
201V98.4Very high97.2Very high5 Ų566.3 Ų66.33%0.0334%0.337CS..EExtended strand (participates in β ladder)trans-102.8127.8168.5-1680000108.1V138 L140 P148 L151 I175 I203V138-V201 PolarHBondContact N-O 3.33Å; V138-V201 PolarHBondContact O-N 3.49Å; L140-V201 HydrophobicContact CD1-CG2 4.15Å; L140-V201 HydrophobicContact CG-CG2 4.45Å; P148-V201 HydrophobicContact CB-CG1 4.34Å; P148-V201 HydrophobicContact CB-CG2 3.94Å; P148-V201 HydrophobicContact CG-CG2 4Å; L151-V201 HydrophobicContact CB-CG1 4.06Å; L151-V201 HydrophobicContact CD1-CB 3.69Å; L151-V201 HydrophobicContact CD1-CG1 3.86Å; L151-V201 HydrophobicContact CD1-CG2 3.76Å; I175-V201 HydrophobicContact CG1-CG2 4.49Å; I175-V201 HydrophobicContact CG2-CG2 4.24Å; V201-I203 HydrophobicContact CG1-CG2 4.29Å
202Q97.9Very high97.4Very high89 Ų8960.3 Ų60.342%0.41631%0.309SS..EExtended strand (participates in β ladder)trans-89.7125.3172.2-177.46462.400109.4D135 Y200D135-Q202 PolarHBondContact O-NE2 3.25Å; Y200-Q202 HydrophobicContact CE2-CB 4.19Å
203I97.7Very high97.5Very high9 Ų960 Ų605%0.04629%0.293CS..  trans-125.8168.4170.460.3165.9000111.5G136 V138 L151 L152 V157 V201 P205 I208G136-I203 VanDerWaalsContact O-CG1 3.3Å; G136-I203 WeakPolarHBondContact O-CG1 3.15Å; G136-I203 PolarHBondContact O-N 2.87Å; V138-I203 HydrophobicContact CG2-CD1 4.1Å; V138-I203 HydrophobicContact CG2-CG1 4.11Å; L151-I203 HydrophobicContact CB-CG2 3.69Å; L151-I203 HydrophobicContact CD2-CD1 4.07Å; L151-I203 HydrophobicContact CD2-CG2 4.41Å; L151-I203 WeakPolarHBondContact O-CG2 3.42Å; L152-I203 HydrophobicContact CD2-CG2 4.31Å; V157-I203 HydrophobicContact CG1-CD1 4.42Å; V157-I203 HydrophobicContact CG2-CD1 4.3Å; V201-I203 HydrophobicContact CG1-CG2 4.29Å; I203-P205 WeakPolarHBondContact O-CD 3.22Å; I203-I208 HydrophobicContact CD1-CD1 3.97Å; I203-I208 HydrophobicContact CD1-CG1 3.65Å
204D97.1Very high97.7Very high82 Ų8252.6 Ų52.644%0.43926%0.257SS..  trans-68.3117.9163.7-178.6-8.4000108.4K206 K207D204-K206 PolarHBondContact O-N 3.29Å; D204-K206 VanDerWaalsContact O-N 3.07Å; D204-K206 VanDerWaalsContact OD1-CB 3.32Å; D204-K206 WeakPolarHBondContact OD1-CB 3.3Å; D204-K206 WeakPolarHBondContact OD1-CG 3.41Å; D204-K206 PolarHBondContact OD1-N 3.42Å; D204-K207 HydrophobicContact CB-CG 4.41Å; D204-K207 WeakPolarHBondContact O-CB 3.45Å; D204-K207 PolarHBondContact O-N 3.29Å
205P96.4Very high97.7Very high26 Ų2655.1 Ų55.117%0.16927%0.27CS..G310 helixtrans-58.1-23-18023.4-33.9000113.1W5 I203 K207 I208W5-P205 HydrophobicContact CZ3-CB 4.5Å; I203-P205 WeakPolarHBondContact O-CD 3.22Å; P205-K207 PolarHBondContact O-N 3.16Å; P205-I208 WeakPolarHBondContact O-CB 3.22Å; P205-I208 PolarHBondContact O-N 2.95Å
206K96.5Very high97.7Very high148 Ų14852.5 Ų52.564%0.64327%0.266SS*.G310 helixtrans-65.3-19.6175.9-64.8176.3-179177.50113.8Q4 D204 I208Q4-K206 VanDerWaalsContact OE1-CG 3.3Å; D204-K206 PolarHBondContact O-N 3.29Å; D204-K206 VanDerWaalsContact O-N 3.07Å; D204-K206 VanDerWaalsContact OD1-CB 3.32Å; D204-K206 WeakPolarHBondContact OD1-CB 3.3Å; D204-K206 WeakPolarHBondContact OD1-CG 3.41Å; D204-K206 PolarHBondContact OD1-N 3.42Å; K206-I208 VanDerWaalsContact C-N 3.25Å
207K97.6Very high97.7Very high56 Ų5653.2 Ų53.224%0.24327%0.272CS..G310 helixtrans-72.2-22.4173.7-71.4-170.2164.5-159.90112.2L152 A154 K156 V157 D204 P205 V209L152-K207 PolarHBondContact O-NZ 3.28Å; A154-K207 WeakPolarHBondContact O-CE 3.23Å; A154-K207 PolarHBondContact O-NZ 2.9Å; K156-K207 CarbonylContact C-O 3.59Å; V157-K207 HydrophobicContact CG2-CB 4.11Å; V157-K207 PolarHBondContact N-O 3.36Å; D204-K207 HydrophobicContact CB-CG 4.41Å; D204-K207 WeakPolarHBondContact O-CB 3.45Å; D204-K207 PolarHBondContact O-N 3.29Å; P205-K207 PolarHBondContact O-N 3.16Å; K207-V209 PolarHBondContact O-N 3.04Å
208I98.2Very high97.6Very high5 Ų553.6 Ų53.63%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-78102.9-178.8-53.3171.6000108.5W5 L132 V157 I159 I203 P205 K206 V211W5-I208 HydrophobicContact CB-CB 4.15Å; W5-I208 HydrophobicContact CB-CG2 3.66Å; W5-I208 WeakPolarHBondContact CB-O 3.45Å; W5-I208 HydrophobicContact CD2-CG2 4.43Å; W5-I208 HydrophobicContact CE3-CD1 4.12Å; W5-I208 HydrophobicContact CG-CG2 4.09Å; W5-I208 HydrophobicContact CZ3-CD1 4.25Å; L132-I208 HydrophobicContact CD1-CD1 3.66Å; L132-I208 HydrophobicContact CD2-CD1 4.27Å; V157-I208 CarbonylContact O-C 3.59Å; V157-I208 WeakPolarHBondContact O-CA 3.45Å; I159-I208 HydrophobicContact CG1-CG2 4.11Å; I203-I208 HydrophobicContact CD1-CD1 3.97Å; I203-I208 HydrophobicContact CD1-CG1 3.65Å; P205-I208 WeakPolarHBondContact O-CB 3.22Å; P205-I208 PolarHBondContact O-N 2.95Å; K206-I208 VanDerWaalsContact C-N 3.25Å; I208-V211 HydrophobicContact CG2-CG2 3.91Å
209V97.7Very high97.2Very high44 Ų4453.1 Ų53.127%0.26727%0.268SS..EExtended strand (participates in β ladder)trans-93.6-21.9-177.8-63.60000112.7I16 K156 V157 I158 K207I16-V209 HydrophobicContact CD1-CB 4.4Å; I16-V209 HydrophobicContact CD1-CG2 3.85Å; I16-V209 HydrophobicContact CG2-CG2 4.22Å; K156-V209 HydrophobicContact CB-CG1 4.04Å; K156-V209 HydrophobicContact CB-CG2 3.93Å; K156-V209 HydrophobicContact CD-CG1 4.33Å; K156-V209 HydrophobicContact CG-CG1 3.99Å; V157-V209 WeakPolarHBondContact O-CG2 3.34Å; V157-V209 PolarHBondContact O-N 3.3Å; I158-V209 HydrophobicContact CG1-CG2 4.11Å; K207-V209 PolarHBondContact O-N 3.04Å
210A98.2Very high96.2Very high0 Ų050.3 Ų50.30%028%0.28CS..EExtended strand (participates in β ladder)trans-150.7144.3178.900000111.5T6 M8 A13 I16 I158 I159T6-A210 CarbonylContact O-C 3.35Å; T6-A210 WeakPolarHBondContact O-CA 3.24Å; M8-A210 HydrophobicContact CE-CB 3.69Å; M8-A210 HydrophobicContact CG-CB 3.91Å; M8-A210 HydrophobicContact SD-CB 3.57Å; M8-A210 VanDerWaalsContact SD-CB 3.57Å; A13-A210 HydrophobicContact CB-CB 4.11Å; I16-A210 HydrophobicContact CD1-CB 3.92Å; I158-A210 WeakPolarHBondContact CA-O 3.46Å; I158-A210 HydrophobicContact CG1-CB 4.18Å; I158-A210 HydrophobicContact CG2-CB 4.14Å; I159-A210 PolarHBondContact N-O 3.15Å
211V98.5Very high94.7Very high1 Ų152.4 Ų52.41%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-121.5123.6165.2178.80000108.4W5 T6 R7 M8 L132 I159 L161 I208W5-V211 HydrophobicContact CB-CG2 4.21Å; W5-V211 HydrophobicContact CD2-CG2 4.32Å; W5-V211 HydrophobicContact CG-CG2 3.67Å; T6-V211 PolarHBondContact O-N 3.47Å; R7-V211 WeakPolarHBondContact CA-O 3.19Å; R7-V211 HydrophobicContact CG-CB 4.35Å; M8-V211 PolarHBondContact N-O 3.11Å; L132-V211 HydrophobicContact CD2-CG2 3.68Å; I159-V211 HydrophobicContact CB-CG2 4.29Å; I159-V211 CarbonylContact O-C 3.59Å; I159-V211 WeakPolarHBondContact O-CA 3.28Å; L161-V211 HydrophobicContact CB-CG1 4.02Å; I208-V211 HydrophobicContact CG2-CG2 3.91Å
212V98.7Very high93.2Very high5 Ų561.3 Ų61.33%0.0334%0.341CS..EExtended strand (participates in β ladder)trans-110.6118.9177.5179.20000107.8A10 A13 L37 I158 I159 E160 L161 T214A10-V212 HydrophobicContact CB-CG1 3.97Å; A13-V212 HydrophobicContact CB-CG2 3.53Å; L37-V212 HydrophobicContact CD2-CB 4.25Å; L37-V212 HydrophobicContact CD2-CG1 4.32Å; L37-V212 HydrophobicContact CD2-CG2 3.93Å; I158-V212 HydrophobicContact CG2-CG2 4.35Å; I159-V212 PolarHBondContact O-N 3.14Å; E160-V212 CarbonylContact C-O 3.58Å; E160-V212 WeakPolarHBondContact CA-O 3.47Å; E160-V212 HydrophobicContact CG-CB 4.36Å; L161-V212 PolarHBondContact N-O 2.94Å; V212-T214 HydrophobicContact CG1-CG2 4.16Å
213E98.2Very high91.7Very high79 Ų7961.4 Ų61.437%0.36934%0.343SS..EExtended strand (participates in β ladder)trans-79.9127.1178.6-53.7-72.5178.500109.1R7 L161 H163R7-E213 IonicContact CZ-OE1 3.99Å; R7-E213 IonicContact NE-OE1 2.97Å; R7-E213 PolarHBondContact NE-OE1 2.78Å; L161-E213 WeakPolarHBondContact CD2-OE2 3.49Å; H163-E213 IonicContact CD2-OE2 3.64Å; H163-E213 IonicContact CE1-OE2 3.6Å; H163-E213 IonicContact NE2-OE2 2.69Å; H163-E213 PolarHBondContact NE2-OE2 3.46Å
214T98.5Very high90.5Very high12 Ų1265 Ų657%0.07436%0.363CS..EExtended strand (participates in β ladder)trans-131.2163.4176.464.80000111A36 E160 L161 N162 H163 V212A36-T214 HydrophobicContact CB-CG2 3.82Å; E160-T214 HydrophobicContact CB-CG2 4.48Å; E160-T214 HydrophobicContact CG-CG2 4.3Å; L161-T214 PolarHBondContact O-N 3.35Å; N162-T214 CarbonylContact C-O 3.49Å; N162-T214 WeakPolarHBondContact CA-O 3.29Å; N162-T214 VanDerWaalsContact CA-OG1 3.32Å; N162-T214 WeakPolarHBondContact CA-OG1 3.09Å; N162-T214 VanDerWaalsContact CB-OG1 3.23Å; N162-T214 WeakPolarHBondContact CB-OG1 3.24Å; H163-T214 PolarHBondContact CD2-O 3.41Å; H163-T214 VanDerWaalsContact CD2-O 3.28Å; H163-T214 PolarHBondContact N-O 2.88Å; V212-T214 HydrophobicContact CG1-CG2 4.16Å
215N98.2Very high89.1Confident109 Ų10969.2 Ų69.258%0.58338%0.377SS*.  trans-147.771172.6-176.216.4000108.3N162 H163 Y164N162-N215 VanDerWaalsContact OD1-CA 3.32Å; N162-N215 WeakPolarHBondContact OD1-CA 3.3Å; H163-N215 HydrophobicContact CB-CB 4.36Å; Y164-N215 WeakPolarHBondContact CA-OD1 3.1Å; Y164-N215 WeakPolarHBondContact CB-OD1 3.48Å; Y164-N215 PolarHBondContact N-OD1 3.02Å; Y164-N215 VanDerWaalsContact N-OD1 3.11Å
216L97.3Very high87.8Confident76 Ų7676 Ų7640%0.39841%0.407SS..  trans-131.9134.7-167.7-70.7173.9000110.9K35 N162 Y164K35-L216 HydrophobicContact CB-CB 4.1Å; K35-L216 HydrophobicContact CB-CD1 3.68Å; K35-L216 HydrophobicContact CD-CB 3.77Å; K35-L216 VanDerWaalsContact CE-O 3.23Å; K35-L216 WeakPolarHBondContact CE-O 3.36Å; K35-L216 HydrophobicContact CG-CB 4.23Å; N162-L216 PolarHBondContact ND2-O 3.47Å; N162-L216 PolarHBondContact OD1-N 3.28Å; N162-L216 PolarHBondContact OD1-O 2.8Å; Y164-L216 WeakPolarHBondContact CB-O 3.44Å
217P96.3Very high87.3Confident69 Ų6970.9 Ų70.945%0.44839%0.386SS..PPolyproline II helixtrans-71.5158.8178.930.8-35.8000112.3K35 Y164K35-P217 VanDerWaalsContact CE-C 3.43Å; K35-P217 WeakPolarHBondContact CE-O 3.42Å; Y164-P217 HydrophobicContact CD1-CB 4.27Å; Y164-P217 HydrophobicContact CD2-CB 4.1Å; Y164-P217 HydrophobicContact CE1-CB 3.86Å; Y164-P217 HydrophobicContact CE2-CB 3.67Å; Y164-P217 HydrophobicContact CG-CB 4.39Å
218D94.8Very high87Confident41 Ų4173.2 Ų73.222%0.21941%0.407CS..PPolyproline II helixtrans-62.7148.9160.8-68.8-39.4000110.6G32 K35 S142 H165 G220G32-D218 PolarHBondContact N-OD1 3.28Å; K35-D218 IonicContact NZ-OD1 3.31Å; K35-D218 PolarHBondContact NZ-OD1 3.15Å; S142-D218 WeakPolarHBondContact CB-OD2 3.32Å; S142-D218 PolarHBondContact OG-OD2 2.8Å; H165-D218 IonicContact CE1-OD2 3.9Å; H165-D218 PolarHBondContact CE1-OD2 2.9Å; H165-D218 IonicContact NE2-OD1 3.07Å; H165-D218 IonicContact NE2-OD2 3.67Å; D218-G220 PolarHBondContact O-N 3.41Å
219A88.4Confident86.9Confident52 Ų5278.2 Ų78.243%0.4343%0.431SS..PPolyproline II helixtrans-68.9133.1174.200000110.4P30P30-A219 HydrophobicContact CB-CB 3.87Å; P30-A219 WeakPolarHBondContact CB-O 3.19Å; P30-A219 HydrophobicContact CG-CB 4.36Å
220G78.2Confident86.6Confident74 Ų7476.4 Ų76.476%0.76342%0.421SS*.PPolyproline II helixtrans-77.1154175.100000112.5D218D218-G220 PolarHBondContact O-N 3.41Å
221N67.2Low86.4Confident119 Ų11979.8 Ų79.864%0.63644%0.437SS*.PPolyproline II helixtrans-101.8129.9168.7-67.2-34.5000109.3L223N221-L223 PolarHBondContact O-N 2.96Å
222M65.7Low86.2Confident192 Ų19285.8 Ų85.895%0.94647%0.465SS*.PPolyproline II helixtrans-76.5121.8170-70-132.8-74.800109.4
223L66.2Low86.1Confident91 Ų9188.4 Ų88.448%0.47648%0.478SS..PPolyproline II helixtrans-96.6124.9175.8-68.1171.1000109.5N221 K225 N266N221-L223 PolarHBondContact O-N 2.96Å; L223-K225 HydrophobicContact CB-CG 4.41Å; L223-K225 PolarHBondContact O-N 3.07Å; L223-N266 HydrophobicContact CD2-CB 4.37Å; L223-N266 WeakPolarHBondContact CD2-ND2 3.39Å
224D72.5Confident86Confident85 Ų8584.6 Ų84.646%0.45546%0.46SS..  trans-82.991.4166.4-176.23.8000109Q226D224-Q226 PolarHBondContact O-N 3.3Å; D224-Q226 PolarHBondContact OD1-N 2.98Å
225K67.5Low85.8Confident169 Ų16986.9 Ų86.974%0.73547%0.472SS*.THydrogen-bonded Turntrans-68.8-12.6-177.6-67.2-174.7178.3-177.20113.5L223L223-K225 HydrophobicContact CB-CG 4.41Å; L223-K225 PolarHBondContact O-N 3.07Å
226Q70.6Confident85.8Confident170 Ų17086.5 Ų86.579%0.79447%0.47SS*.THydrogen-bonded Turntrans-118.826.9-164.8-67.5-169-21.900113.6D224 P228D224-Q226 PolarHBondContact O-N 3.3Å; D224-Q226 PolarHBondContact OD1-N 2.98Å; Q226-P228 WeakPolarHBondContact O-CD 3.4Å
227N85.5Confident85.8Confident40 Ų4085.4 Ų85.421%0.21447%0.466CS..  trans-85108.7177.8-170.5-51.1000111.4M229 C230 Q231N227-M229 VanDerWaalsContact C-N 3.3Å; N227-M229 PolarHBondContact O-N 3.21Å; N227-M229 WeakPolarHBondContact OD1-CB 3.37Å; N227-M229 PolarHBondContact OD1-N 3.32Å; N227-M229 VanDerWaalsContact OD1-N 3.14Å; N227-C230 HydrophobicContact CB-CB 3.99Å; N227-C230 WeakPolarHBondContact O-CB 3.4Å; N227-C230 PolarHBondContact O-N 3.04Å; N227-C230 VanDerWaalsContact O-N 3.1Å; N227-C230 PolarHBondContact OD1-N 3.19Å; N227-C230 VanDerWaalsContact OD1-N 3.13Å; N227-Q231 PolarHBondContact O-N 3.28Å
228P91.6Very high85.8Confident104 Ų10482.3 Ų82.368%0.67545%0.446SS*.Hα-helixtrans-66-31.1-174.8-20.534.8000113.1Q226 C230 Q231 Q232Q226-P228 WeakPolarHBondContact O-CD 3.4Å; P228-C230 VanDerWaalsContact C-N 3.34Å; P228-Q231 PolarHBondContact O-N 2.91Å; P228-Q232 PolarHBondContact O-N 2.92Å
229M94.3Very high85.9Confident110 Ų11083.7 Ų83.754%0.54246%0.456SS..Hα-helixtrans-64.8-40.8174.8177.9-167.371.900110.7N227 Q231 Q232 I233N227-M229 VanDerWaalsContact C-N 3.3Å; N227-M229 PolarHBondContact O-N 3.21Å; N227-M229 WeakPolarHBondContact OD1-CB 3.37Å; N227-M229 PolarHBondContact OD1-N 3.32Å; N227-M229 VanDerWaalsContact OD1-N 3.14Å; M229-Q231 VanDerWaalsContact C-N 3.3Å; M229-Q231 PolarHBondContact O-N 3.31Å; M229-Q232 PolarHBondContact O-N 3.09Å; M229-I233 HydrophobicContact CG-CD1 4.21Å; M229-I233 WeakPolarHBondContact O-CG1 2.94Å; M229-I233 PolarHBondContact O-N 3.27Å
230C93.2Very high86.4Confident6 Ų686.5 Ų86.54%0.04146%0.458CS..Hα-helixtrans-63.1-38.6175.3-64.90000111.4N227 P228 I233 A234 I264 A267N227-C230 HydrophobicContact CB-CB 3.99Å; N227-C230 WeakPolarHBondContact O-CB 3.4Å; N227-C230 PolarHBondContact O-N 3.04Å; N227-C230 VanDerWaalsContact O-N 3.1Å; N227-C230 PolarHBondContact OD1-N 3.19Å; N227-C230 VanDerWaalsContact OD1-N 3.13Å; P228-C230 VanDerWaalsContact C-N 3.34Å; C230-I233 PolarHBondContact O-N 3.03Å; C230-A234 WeakPolarHBondContact O-CB 3.49Å; C230-A234 PolarHBondContact O-N 3.3Å; C230-I264 HydrophobicContact CB-CG1 4.39Å; C230-I264 VanDerWaalsContact SG-CG1 3.59Å; C230-A267 HydrophobicContact CB-CB 3.94Å
231Q92.5Very high87.3Confident72 Ų7284.2 Ų84.234%0.33643%0.429SS..Hα-helixtrans-66.8-43.1176.9-66.8-64.912.900112.5N227 P228 M229 I233 A234 D235N227-Q231 PolarHBondContact O-N 3.28Å; P228-Q231 PolarHBondContact O-N 2.91Å; M229-Q231 VanDerWaalsContact C-N 3.3Å; M229-Q231 PolarHBondContact O-N 3.31Å; Q231-I233 VanDerWaalsContact C-N 3.3Å; Q231-I233 PolarHBondContact O-N 3.48Å; Q231-A234 WeakPolarHBondContact O-CA 3.38Å; Q231-A234 WeakPolarHBondContact O-CB 3.31Å; Q231-A234 PolarHBondContact O-N 3.49Å; Q231-A234 VanDerWaalsContact O-N 3.08Å; Q231-D235 PolarHBondContact O-N 3.49Å
232Q95.9Very high88.6Confident127 Ų12781.7 Ų81.759%0.59342%0.415SS*.Hα-helixtrans-62.7-38.1176.7-170.6175.314.900112.2P228 M229 A234 D235 N236P228-Q232 PolarHBondContact O-N 2.92Å; M229-Q232 PolarHBondContact O-N 3.09Å; Q232-A234 VanDerWaalsContact C-N 3.35Å; Q232-D235 PolarHBondContact O-N 3.34Å; Q232-N236 VanDerWaalsContact O-CG 3.26Å; Q232-N236 PolarHBondContact O-N 2.95Å; Q232-N236 VanDerWaalsContact O-N 3.15Å; Q232-N236 PolarHBondContact O-ND2 3.36Å
233I96.3Very high90.1Very high59 Ų5977.3 Ų77.330%0.30339%0.392SS..Hα-helixtrans-63.9-43.1173.1-67.1166.4000110.3M229 C230 Q231 N236 V237 I264M229-I233 HydrophobicContact CG-CD1 4.21Å; M229-I233 WeakPolarHBondContact O-CG1 2.94Å; M229-I233 PolarHBondContact O-N 3.27Å; C230-I233 PolarHBondContact O-N 3.03Å; Q231-I233 VanDerWaalsContact C-N 3.3Å; Q231-I233 PolarHBondContact O-N 3.48Å; I233-N236 PolarHBondContact O-N 3.11Å; I233-V237 HydrophobicContact CG2-CG2 4.44Å; I233-V237 WeakPolarHBondContact O-CG2 3.3Å; I233-V237 PolarHBondContact O-N 2.97Å; I233-I264 HydrophobicContact CB-CG2 4.3Å; I233-I264 HydrophobicContact CD1-CD1 4.02Å; I233-I264 HydrophobicContact CD1-CG1 4.32Å; I233-I264 HydrophobicContact CD1-CG2 4.45Å; I233-I264 HydrophobicContact CG2-CG2 3.65Å
234A94.9Very high91.6Very high0 Ų074.6 Ų74.60%038%0.377CS..Hα-helixtrans-59.2-47.4176.200000112.3C230 Q231 Q232 N236 V237 V238 A267 V268 R271C230-A234 WeakPolarHBondContact O-CB 3.49Å; C230-A234 PolarHBondContact O-N 3.3Å; Q231-A234 WeakPolarHBondContact O-CA 3.38Å; Q231-A234 WeakPolarHBondContact O-CB 3.31Å; Q231-A234 PolarHBondContact O-N 3.49Å; Q231-A234 VanDerWaalsContact O-N 3.08Å; Q232-A234 VanDerWaalsContact C-N 3.35Å; A234-N236 VanDerWaalsContact C-N 3.3Å; A234-N236 PolarHBondContact O-N 3Å; A234-V237 PolarHBondContact O-N 3.46Å; A234-V238 WeakPolarHBondContact O-CB 3.38Å; A234-V238 WeakPolarHBondContact O-CG2 3.42Å; A234-V238 PolarHBondContact O-N 3.28Å; A234-A267 HydrophobicContact CB-CB 4.02Å; A234-V268 HydrophobicContact CB-CB 4.48Å; A234-V268 HydrophobicContact CB-CG2 4.17Å; A234-R271 HydrophobicContact CB-CB 3.98Å; A234-R271 HydrophobicContact CB-CG 4.45Å
235D95.7Very high92.8Very high60 Ų6073.4 Ų73.432%0.32137%0.369SS..Hα-helixtrans-57.2-42.8176.9-75-33.6000112.2Q231 Q232 T239 R271Q231-D235 PolarHBondContact O-N 3.49Å; Q232-D235 PolarHBondContact O-N 3.34Å; D235-T239 WeakPolarHBondContact O-CB 3.37Å; D235-T239 PolarHBondContact O-N 2.9Å; D235-T239 PolarHBondContact O-OG1 3.33Å; D235-R271 IonicContact OD1-CZ 3.54Å; D235-R271 IonicContact OD1-NE 3.85Å; D235-R271 PolarHBondContact OD1-NE 3.2Å; D235-R271 IonicContact OD1-NH2 3.11Å
236N97.7Very high94.1Very high101 Ų10169.5 Ų69.554%0.5437%0.369SS..Hα-helixtrans-64.1-45.6177.8-68.9-27.6000111.9Q232 I233 A234 F240Q232-N236 VanDerWaalsContact O-CG 3.26Å; Q232-N236 PolarHBondContact O-N 2.95Å; Q232-N236 VanDerWaalsContact O-N 3.15Å; Q232-N236 PolarHBondContact O-ND2 3.36Å; I233-N236 PolarHBondContact O-N 3.11Å; A234-N236 VanDerWaalsContact C-N 3.3Å; A234-N236 PolarHBondContact O-N 3Å; N236-F240 WeakPolarHBondContact O-CB 3.5Å; N236-F240 PolarHBondContact O-N 2.92Å
237V97.1Very high95.5Very high53 Ų5367.3 Ų67.332%0.32136%0.358SS..Hα-helixtrans-63.8-46.7179.5172.40000110.7I233 A234 F240 L241 V268I233-V237 HydrophobicContact CG2-CG2 4.44Å; I233-V237 WeakPolarHBondContact O-CG2 3.3Å; I233-V237 PolarHBondContact O-N 2.97Å; A234-V237 PolarHBondContact O-N 3.46Å; V237-F240 WeakPolarHBondContact O-CB 3.41Å; V237-F240 PolarHBondContact O-N 3.42Å; V237-L241 HydrophobicContact CG1-CD1 4Å; V237-L241 WeakPolarHBondContact O-CG 3.42Å; V237-L241 PolarHBondContact O-N 3.1Å; V237-V268 HydrophobicContact CB-CG1 4.21Å; V237-V268 HydrophobicContact CB-CG2 4.49Å; V237-V268 HydrophobicContact CG1-CG1 3.71Å; V237-V268 HydrophobicContact CG2-CG2 4.47Å
238V96Very high96Very high4 Ų468.4 Ų68.42%0.02438%0.379CS..Hα-helixtrans-65.2-44.7179.5173.80000111.3A234 F240 L241 L242 R271 L272 P276A234-V238 WeakPolarHBondContact O-CB 3.38Å; A234-V238 WeakPolarHBondContact O-CG2 3.42Å; A234-V238 PolarHBondContact O-N 3.28Å; V238-F240 VanDerWaalsContact C-N 3.3Å; V238-F240 PolarHBondContact O-N 3.38Å; V238-L241 PolarHBondContact O-N 3.27Å; V238-L241 VanDerWaalsContact O-N 3.17Å; V238-L242 HydrophobicContact CG1-CD1 3.98Å; V238-L242 HydrophobicContact CG1-CG 4.29Å; V238-L242 WeakPolarHBondContact O-CG 3.34Å; V238-L242 PolarHBondContact O-N 3.24Å; V238-R271 HydrophobicContact CB-CG 4.24Å; V238-R271 HydrophobicContact CG2-CB 3.98Å; V238-R271 HydrophobicContact CG2-CG 3.78Å; V238-L272 HydrophobicContact CB-CD2 4.42Å; V238-L272 HydrophobicContact CG1-CD2 4.2Å; V238-L272 HydrophobicContact CG2-CD2 3.7Å; V238-L272 HydrophobicContact CG2-CG 3.71Å; V238-P276 HydrophobicContact CG1-CB 4.5Å; V238-P276 HydrophobicContact CG1-CG 3.5Å; V238-P276 VanDerWaalsContact CG1-CG 3.5Å
239T97.2Very high96.4Very high69 Ų6970.1 Ų70.142%0.42337%0.372SS..Hα-helixtrans-58.1-44.3176.3-60.80000111.2D235 L242 Q243D235-T239 WeakPolarHBondContact O-CB 3.37Å; D235-T239 PolarHBondContact O-N 2.9Å; D235-T239 PolarHBondContact O-OG1 3.33Å; T239-L242 PolarHBondContact O-N 3.47Å; T239-Q243 HydrophobicContact CG2-CG 4.46Å; T239-Q243 WeakPolarHBondContact O-CB 3.48Å; T239-Q243 VanDerWaalsContact O-CG 3.24Å; T239-Q243 WeakPolarHBondContact O-CG 3.33Å; T239-Q243 PolarHBondContact O-N 3.48Å
240F97.9Very high96.5Very high111 Ų11166 Ų6649%0.48735%0.352SS..Hα-helixtrans-58.4-50.7175167.5-101.7000111.4N236 V237 V238 L242 Q243 E244N236-F240 WeakPolarHBondContact O-CB 3.5Å; N236-F240 PolarHBondContact O-N 2.92Å; V237-F240 WeakPolarHBondContact O-CB 3.41Å; V237-F240 PolarHBondContact O-N 3.42Å; V238-F240 VanDerWaalsContact C-N 3.3Å; V238-F240 PolarHBondContact O-N 3.38Å; F240-L242 PolarHBondContact O-N 2.99Å; F240-Q243 WeakPolarHBondContact O-CB 3.38Å; F240-Q243 PolarHBondContact O-N 3.26Å; F240-Q243 VanDerWaalsContact O-N 3.15Å; F240-E244 HydrophobicContact CD1-CG 4.38Å; F240-E244 HydrophobicContact CD2-CG 4.14Å; F240-E244 HydrophobicContact CE1-CG 3.91Å; F240-E244 HydrophobicContact CE2-CG 3.64Å; F240-E244 HydrophobicContact CG-CG 4.49Å; F240-E244 HydrophobicContact CZ-CG 3.51Å; F240-E244 WeakPolarHBondContact O-CG 3.35Å; F240-E244 PolarHBondContact O-N 3.17Å
241L97.1Very high96.7Very high27 Ų2767.7 Ų67.714%0.14136%0.363CS..Hα-helixtrans-60.1-43.8-179.3-69.1168000112.4V237 V238 Q243 E244 M245 I250 F254 L272V237-L241 HydrophobicContact CG1-CD1 4Å; V237-L241 WeakPolarHBondContact O-CG 3.42Å; V237-L241 PolarHBondContact O-N 3.1Å; V238-L241 PolarHBondContact O-N 3.27Å; V238-L241 VanDerWaalsContact O-N 3.17Å; L241-Q243 VanDerWaalsContact C-N 3.33Å; L241-Q243 PolarHBondContact O-N 3.21Å; L241-E244 PolarHBondContact O-N 3.26Å; L241-M245 WeakPolarHBondContact O-CG 3.48Å; L241-M245 PolarHBondContact O-N 3.01Å; L241-I250 HydrophobicContact CD2-CD1 3.88Å; L241-F254 HydrophobicContact CB-CE2 4.47Å; L241-F254 HydrophobicContact CD1-CZ 4.21Å; L241-F254 HydrophobicContact CD2-CE2 4.47Å; L241-F254 HydrophobicContact CD2-CZ 4.23Å; L241-L272 HydrophobicContact CD1-CD1 4.47Å; L241-L272 HydrophobicContact CD1-CD2 4.15Å
242L94.8Very high96.8Very high65 Ų6569.9 Ų69.934%0.3438%0.384SS..Hα-helixtrans-63.8-38.8176.3-68.6175.8000111.8V238 T239 F240 M245 A246 P276V238-L242 HydrophobicContact CG1-CD1 3.98Å; V238-L242 HydrophobicContact CG1-CG 4.29Å; V238-L242 WeakPolarHBondContact O-CG 3.34Å; V238-L242 PolarHBondContact O-N 3.24Å; T239-L242 PolarHBondContact O-N 3.47Å; F240-L242 PolarHBondContact O-N 2.99Å; L242-M245 PolarHBondContact O-N 3.37Å; L242-A246 WeakPolarHBondContact O-CB 3.47Å; L242-A246 PolarHBondContact O-N 3.36Å; L242-P276 HydrophobicContact CD1-CB 4.47Å; L242-P276 HydrophobicContact CD1-CG 4.35Å
243Q97.5Very high96.6Very high101 Ų10171.2 Ų71.247%0.47239%0.39SS..Hα-helixtrans-65-42.3174.1-74.4175.2-3.900111.4T239 F240 L241 M245 A246 H247T239-Q243 HydrophobicContact CG2-CG 4.46Å; T239-Q243 WeakPolarHBondContact O-CB 3.48Å; T239-Q243 VanDerWaalsContact O-CG 3.24Å; T239-Q243 WeakPolarHBondContact O-CG 3.33Å; T239-Q243 PolarHBondContact O-N 3.48Å; F240-Q243 WeakPolarHBondContact O-CB 3.38Å; F240-Q243 PolarHBondContact O-N 3.26Å; F240-Q243 VanDerWaalsContact O-N 3.15Å; L241-Q243 VanDerWaalsContact C-N 3.33Å; L241-Q243 PolarHBondContact O-N 3.21Å; Q243-M245 VanDerWaalsContact C-N 3.29Å; Q243-M245 PolarHBondContact O-N 3.01Å; Q243-A246 PolarHBondContact O-N 2.89Å; Q243-H247 PolarHBondContact O-N 3.49Å; Q243-H247 PolarHBondContact O-ND1 2.93Å
244E98.1Very high96.5Very high34 Ų3470.8 Ų70.816%0.15939%0.386CS..Hα-helixtrans-61.7-38176.3-66.6-57.298.700112F240 L241 H247 G248 R249 I250F240-E244 HydrophobicContact CD1-CG 4.38Å; F240-E244 HydrophobicContact CD2-CG 4.14Å; F240-E244 HydrophobicContact CE1-CG 3.91Å; F240-E244 HydrophobicContact CE2-CG 3.64Å; F240-E244 HydrophobicContact CG-CG 4.49Å; F240-E244 HydrophobicContact CZ-CG 3.51Å; F240-E244 WeakPolarHBondContact O-CG 3.35Å; F240-E244 PolarHBondContact O-N 3.17Å; L241-E244 PolarHBondContact O-N 3.26Å; E244-H247 PolarHBondContact O-N 2.86Å; E244-G248 PolarHBondContact O-N 3.08Å; E244-R249 HydrophobicContact CB-CB 4.47Å; E244-R249 VanDerWaalsContact CD-NE 3.27Å; E244-R249 PolarHBondContact O-N 3.04Å; E244-R249 IonicContact OE1-CZ 3.31Å; E244-R249 IonicContact OE1-NE 2.91Å; E244-R249 PolarHBondContact OE1-NE 3.31Å; E244-R249 IonicContact OE1-NH2 2.62Å; E244-R249 PolarHBondContact OE1-NH2 2.75Å; E244-R249 WeakPolarHBondContact OE2-CD 3.38Å; E244-R249 IonicContact OE2-CZ 3Å; E244-R249 IonicContact OE2-NE 3.9Å; E244-R249 PolarHBondContact OE2-NE 2.69Å; E244-R249 IonicContact OE2-NH2 2.67Å; E244-I250 HydrophobicContact CB-CB 4.45Å; E244-I250 HydrophobicContact CB-CD1 3.58Å; E244-I250 HydrophobicContact CB-CG1 3.78Å; E244-I250 HydrophobicContact CG-CD1 4.35Å; E244-I250 PolarHBondContact O-N 3.27Å
245M96.6Very high96.5Very high59 Ų5975.5 Ų75.529%0.29141%0.41SS..Hα-helixtrans-64.9-46.8172-69.1177.277.300111.9L241 L242 Q243 H247 G248 I250 F254L241-M245 WeakPolarHBondContact O-CG 3.48Å; L241-M245 PolarHBondContact O-N 3.01Å; L242-M245 PolarHBondContact O-N 3.37Å; Q243-M245 VanDerWaalsContact C-N 3.29Å; Q243-M245 PolarHBondContact O-N 3.01Å; M245-H247 PolarHBondContact O-N 3.21Å; M245-G248 PolarHBondContact O-N 2.97Å; M245-I250 HydrophobicContact CG-CB 3.68Å; M245-I250 HydrophobicContact CG-CG2 3.59Å; M245-F254 HydrophobicContact CE-CD2 4.21Å; M245-F254 HydrophobicContact CG-CD2 4.22Å; M245-F254 HydrophobicContact CG-CE2 4.4Å; M245-F254 HydrophobicContact SD-CD2 3.61Å; M245-F254 HydrophobicContact SD-CE2 3.93Å
246A96.5Very high96.5Very high88 Ų8877.9 Ų77.973%0.72743%0.429SS*.Hα-helixtrans-61.7-29.8179.400000112.8L242 Q243 G248L242-A246 WeakPolarHBondContact O-CB 3.47Å; L242-A246 PolarHBondContact O-N 3.36Å; Q243-A246 PolarHBondContact O-N 2.89Å; A246-G248 VanDerWaalsContact C-N 3.33Å
247H98.3Very high96.3Very high123 Ų12377.4 Ų77.457%0.56943%0.426SS*.THydrogen-bonded Turntrans-87.52.8173.8-6697.4000113.9Q243 E244 M245 R249Q243-H247 PolarHBondContact O-N 3.49Å; Q243-H247 PolarHBondContact O-ND1 2.93Å; E244-H247 PolarHBondContact O-N 2.86Å; M245-H247 PolarHBondContact O-N 3.21Å; H247-R249 VanDerWaalsContact C-N 3.29Å; H247-R249 VanDerWaalsContact CB-CZ 3.43Å; H247-R249 PolarHBondContact ND1-NH2 3.45Å; H247-R249 PolarHBondContact O-N 3.34Å
248G97.8Very high96.3Very high64 Ų6482.7 Ų82.766%0.6645%0.448SS*.THydrogen-bonded Turntrans71.117.6179.400000114.9E244 M245 A246E244-G248 PolarHBondContact O-N 3.08Å; M245-G248 PolarHBondContact O-N 2.97Å; A246-G248 VanDerWaalsContact C-N 3.33Å
249R98.4Very high96.1Very high140 Ų14084.7 Ų84.753%0.52846%0.462SS..SBendtrans-85.8-22.5175.5-69.3-172.6-71.1-84.2-1.6112.6E244 H247E244-R249 HydrophobicContact CB-CB 4.47Å; E244-R249 VanDerWaalsContact CD-NE 3.27Å; E244-R249 PolarHBondContact O-N 3.04Å; E244-R249 IonicContact OE1-CZ 3.31Å; E244-R249 IonicContact OE1-NE 2.91Å; E244-R249 PolarHBondContact OE1-NE 3.31Å; E244-R249 IonicContact OE1-NH2 2.62Å; E244-R249 PolarHBondContact OE1-NH2 2.75Å; E244-R249 WeakPolarHBondContact OE2-CD 3.38Å; E244-R249 IonicContact OE2-CZ 3Å; E244-R249 IonicContact OE2-NE 3.9Å; E244-R249 PolarHBondContact OE2-NE 2.69Å; E244-R249 IonicContact OE2-NH2 2.67Å; H247-R249 VanDerWaalsContact C-N 3.29Å; H247-R249 VanDerWaalsContact CB-CZ 3.43Å; H247-R249 PolarHBondContact ND1-NH2 3.45Å; H247-R249 PolarHBondContact O-N 3.34Å
250I97.8Very high95.8Very high24 Ų2483 Ų8312%0.12346%0.458CS..SBendtrans-115.1134.6167.4-65.8177.6000107.9L241 E244 M245 F254L241-I250 HydrophobicContact CD2-CD1 3.88Å; E244-I250 HydrophobicContact CB-CB 4.45Å; E244-I250 HydrophobicContact CB-CD1 3.58Å; E244-I250 HydrophobicContact CB-CG1 3.78Å; E244-I250 HydrophobicContact CG-CD1 4.35Å; E244-I250 PolarHBondContact O-N 3.27Å; M245-I250 HydrophobicContact CG-CB 3.68Å; M245-I250 HydrophobicContact CG-CG2 3.59Å; I250-F254 HydrophobicContact CD1-CE2 4.19Å; I250-F254 HydrophobicContact CG2-CD2 3.45Å; I250-F254 VanDerWaalsContact CG2-CD2 3.45Å; I250-F254 HydrophobicContact CG2-CE2 3.77Å; I250-F254 HydrophobicContact CG2-CG 4.45Å
251P96.7Very high95.2Very high40 Ų4082.9 Ų82.926%0.2647%0.466SS..  trans-66.4156.2-179.528.8-36.8000112.4E253 F254 L255P251-E253 VanDerWaalsContact C-N 3.29Å; P251-E253 HydrophobicContact CB-CG 4.35Å; P251-E253 PolarHBondContact O-N 3.18Å; P251-F254 WeakPolarHBondContact O-CA 3.43Å; P251-F254 PolarHBondContact O-N 3.1Å; P251-L255 HydrophobicContact CG-CD2 3.85Å; P251-L255 HydrophobicContact CG-CG 4.13Å
252P93.6Very high94.6Very high119 Ų11983.2 Ų83.277%0.77348%0.476SS*.THydrogen-bonded Turntrans-59.3-34.7-179.4-24.734.5000114.6F254P252-F254 PolarHBondContact O-N 3.13Å
253E92.3Very high94.3Very high155 Ų15583.1 Ų83.172%0.72448%0.476SS*.THydrogen-bonded Turntrans-73.1-3.1174.563.2-91.2-150.500113.8P251P251-E253 VanDerWaalsContact C-N 3.29Å; P251-E253 HydrophobicContact CB-CG 4.35Å; P251-E253 PolarHBondContact O-N 3.18Å
254F93.9Very high94Very high50 Ų5081.5 Ų81.522%0.21947%0.47CS..  trans63.5-175.8-175.8-153.1-124.3000113.5L241 M245 I250 P251 P252 L257L241-F254 HydrophobicContact CB-CE2 4.47Å; L241-F254 HydrophobicContact CD1-CZ 4.21Å; L241-F254 HydrophobicContact CD2-CE2 4.47Å; L241-F254 HydrophobicContact CD2-CZ 4.23Å; M245-F254 HydrophobicContact CE-CD2 4.21Å; M245-F254 HydrophobicContact CG-CD2 4.22Å; M245-F254 HydrophobicContact CG-CE2 4.4Å; M245-F254 HydrophobicContact SD-CD2 3.61Å; M245-F254 HydrophobicContact SD-CE2 3.93Å; I250-F254 HydrophobicContact CD1-CE2 4.19Å; I250-F254 HydrophobicContact CG2-CD2 3.45Å; I250-F254 VanDerWaalsContact CG2-CD2 3.45Å; I250-F254 HydrophobicContact CG2-CE2 3.77Å; I250-F254 HydrophobicContact CG2-CG 4.45Å; P251-F254 WeakPolarHBondContact O-CA 3.43Å; P251-F254 PolarHBondContact O-N 3.1Å; P252-F254 PolarHBondContact O-N 3.13Å; F254-L257 HydrophobicContact CD1-CD1 4.45Å; F254-L257 HydrophobicContact CD1-CG 4.27Å; F254-L257 HydrophobicContact CE1-CD1 3.59Å; F254-L257 HydrophobicContact CE1-CD2 3.52Å; F254-L257 HydrophobicContact CE1-CG 3.55Å; F254-L257 HydrophobicContact CZ-CD1 4.45Å; F254-L257 HydrophobicContact CZ-CD2 3.96Å; F254-L257 HydrophobicContact CZ-CG 4.44Å
255L95.6Very high93.7Very high98 Ų9882.4 Ų82.451%0.51348%0.476SS..  trans-119.8157.8179.2-65.1174.3000110.2P251 L257P251-L255 HydrophobicContact CG-CD2 3.85Å; P251-L255 HydrophobicContact CG-CG 4.13Å; L255-L257 PolarHBondContact O-N 2.9Å
256P95.7Very high93.3Very high111 Ų11182.8 Ų82.872%0.72148%0.479SS*.  trans-54.6132.6170.1-25.134.9000111.5
257L94.5Very high93.1Very high91 Ų9179 Ų7948%0.47645%0.448SS..  trans-102.3139.9178.9-70.5-179000111.7F254 L255 L272F254-L257 HydrophobicContact CD1-CD1 4.45Å; F254-L257 HydrophobicContact CD1-CG 4.27Å; F254-L257 HydrophobicContact CE1-CD1 3.59Å; F254-L257 HydrophobicContact CE1-CD2 3.52Å; F254-L257 HydrophobicContact CE1-CG 3.55Å; F254-L257 HydrophobicContact CZ-CD1 4.45Å; F254-L257 HydrophobicContact CZ-CD2 3.96Å; F254-L257 HydrophobicContact CZ-CG 4.44Å; L255-L257 PolarHBondContact O-N 2.9Å; L257-L272 HydrophobicContact CD1-CD1 3.77Å
258Q95.7Very high92.9Very high164 Ų16473.8 Ų73.877%0.76643%0.425SS*.  trans-114.4125.1161.5-174-83.7-51.800107.9
259S92.8Very high92.7Very high46 Ų4674.6 Ų74.632%0.32241%0.412SS..  trans-119.1137.1173.9-170.30000109.3
260G90.9Very high92.4Very high33 Ų3370.5 Ų70.534%0.3441%0.408SS..  trans-72.2-176.7176.600000112.1N265G260-N265 WeakPolarHBondContact CA-ND2 3.18Å; G260-N265 WeakPolarHBondContact O-CB 3.4Å; G260-N265 PolarHBondContact O-ND2 3.29Å
261V84.2Confident92.1Very high108 Ų10872.8 Ų72.866%0.65542%0.415SS*.SBendtrans-89.8154.2171.8-64.10000111.1N265V261-N265 PolarHBondContact O-ND2 3.5Å
262G85.4Confident91.9Very high35 Ų3572.8 Ų72.836%0.36141%0.413SS..SBendtrans115.2169.4171.300000115.1I264 N265 N266G262-I264 PolarHBondContact O-N 3.38Å; G262-N265 PolarHBondContact O-N 3.18Å; G262-N266 VanDerWaalsContact O-CG 3.32Å; G262-N266 PolarHBondContact O-N 2.72Å; G262-N266 PolarHBondContact O-ND2 2.87Å
263N87.4Confident91.8Very high62 Ų6270.2 Ų70.233%0.33241%0.408SS..Hα-helixtrans-57.2-44.3-169.2-66.5-19.4000113.7N266 A267N263-N266 PolarHBondContact O-N 2.97Å; N263-A267 PolarHBondContact O-N 3.22Å
264I91.1Very high91.8Very high67 Ų6768.8 Ų68.834%0.34440%0.401SS..Hα-helixtrans-60.7-51178.8-63.4170.6000110.2C230 I233 G262 N266 A267 V268C230-I264 HydrophobicContact CB-CG1 4.39Å; C230-I264 VanDerWaalsContact SG-CG1 3.59Å; I233-I264 HydrophobicContact CB-CG2 4.3Å; I233-I264 HydrophobicContact CD1-CD1 4.02Å; I233-I264 HydrophobicContact CD1-CG1 4.32Å; I233-I264 HydrophobicContact CD1-CG2 4.45Å; I233-I264 HydrophobicContact CG2-CG2 3.65Å; G262-I264 PolarHBondContact O-N 3.38Å; I264-N266 VanDerWaalsContact C-N 3.31Å; I264-N266 PolarHBondContact O-N 2.89Å; I264-A267 WeakPolarHBondContact O-CB 3.41Å; I264-A267 PolarHBondContact O-N 3.24Å; I264-A267 VanDerWaalsContact O-N 3.1Å; I264-V268 HydrophobicContact CG2-CG2 4.46Å; I264-V268 VanDerWaalsContact O-CG2 3.31Å; I264-V268 WeakPolarHBondContact O-CG2 3.42Å; I264-V268 PolarHBondContact O-N 3.41Å
265N91.6Very high91.1Very high53 Ų5373.5 Ų73.528%0.28343%0.429SS..Hα-helixtrans-62.3-38.7-178-67.1-33.6000112.1G260 V261 G262 V268 M269G260-N265 WeakPolarHBondContact CA-ND2 3.18Å; G260-N265 WeakPolarHBondContact O-CB 3.4Å; G260-N265 PolarHBondContact O-ND2 3.29Å; V261-N265 PolarHBondContact O-ND2 3.5Å; G262-N265 PolarHBondContact O-N 3.18Å; N265-V268 PolarHBondContact O-N 3.37Å; N265-M269 WeakPolarHBondContact O-CG 3.38Å; N265-M269 PolarHBondContact O-N 3.15Å
266N89.7Confident89.9Confident67 Ų6772.8 Ų72.836%0.35843%0.43SS..Hα-helixtrans-66-38.1174.8-67.7-38.6000112.2L223 G262 N263 I264 M269 A270L223-N266 HydrophobicContact CD2-CB 4.37Å; L223-N266 WeakPolarHBondContact CD2-ND2 3.39Å; G262-N266 VanDerWaalsContact O-CG 3.32Å; G262-N266 PolarHBondContact O-N 2.72Å; G262-N266 PolarHBondContact O-ND2 2.87Å; N263-N266 PolarHBondContact O-N 2.97Å; I264-N266 VanDerWaalsContact C-N 3.31Å; I264-N266 PolarHBondContact O-N 2.89Å; N266-M269 PolarHBondContact O-N 3.4Å; N266-A270 VanDerWaalsContact O-CB 3.3Å; N266-A270 WeakPolarHBondContact O-CB 3.24Å; N266-A270 PolarHBondContact O-N 2.98Å
267A92Very high89.6Confident9 Ų970.9 Ų70.97%0.07442%0.415CS..Hα-helixtrans-64-43.6173.400000111.4C230 A234 N263 I264 M269 A270 R271C230-A267 HydrophobicContact CB-CB 3.94Å; A234-A267 HydrophobicContact CB-CB 4.02Å; N263-A267 PolarHBondContact O-N 3.22Å; I264-A267 WeakPolarHBondContact O-CB 3.41Å; I264-A267 PolarHBondContact O-N 3.24Å; I264-A267 VanDerWaalsContact O-N 3.1Å; A267-M269 PolarHBondContact O-N 2.96Å; A267-A270 PolarHBondContact O-N 2.72Å; A267-R271 WeakPolarHBondContact O-CB 3.46Å; A267-R271 PolarHBondContact O-N 2.87Å
268V94Very high89.3Confident14 Ų1469.8 Ų69.89%0.08541%0.412CS..Hα-helixtrans-58-49.3175.5-177.70000111.1A234 V237 I264 N265 A270 R271 L272A234-V268 HydrophobicContact CB-CB 4.48Å; A234-V268 HydrophobicContact CB-CG2 4.17Å; V237-V268 HydrophobicContact CB-CG1 4.21Å; V237-V268 HydrophobicContact CB-CG2 4.49Å; V237-V268 HydrophobicContact CG1-CG1 3.71Å; V237-V268 HydrophobicContact CG2-CG2 4.47Å; I264-V268 HydrophobicContact CG2-CG2 4.46Å; I264-V268 VanDerWaalsContact O-CG2 3.31Å; I264-V268 WeakPolarHBondContact O-CG2 3.42Å; I264-V268 PolarHBondContact O-N 3.41Å; N265-V268 PolarHBondContact O-N 3.37Å; V268-A270 PolarHBondContact O-N 2.89Å; V268-R271 PolarHBondContact O-N 2.72Å; V268-L272 HydrophobicContact CG1-CD1 4.22Å; V268-L272 WeakPolarHBondContact O-CG 3.21Å; V268-L272 PolarHBondContact O-N 3.06Å
269M93.1Very high89Confident80 Ų8064.6 Ų64.639%0.39439%0.392SS..Hα-helixtrans-65.7-39.1-179.7-67.5-53.9-5800112.5N265 N266 A267 L272 G273N265-M269 WeakPolarHBondContact O-CG 3.38Å; N265-M269 PolarHBondContact O-N 3.15Å; N266-M269 PolarHBondContact O-N 3.4Å; A267-M269 PolarHBondContact O-N 2.96Å; M269-L272 HydrophobicContact SD-CD1 4.32Å; M269-G273 PolarHBondContact O-N 3.39Å
270A91.6Very high88.7Confident54 Ų5465.6 Ų65.645%0.44640%0.396SS..Hα-helixtrans-61.8-45.6174.900000111N266 A267 V268 G273 E274N266-A270 VanDerWaalsContact O-CB 3.3Å; N266-A270 WeakPolarHBondContact O-CB 3.24Å; N266-A270 PolarHBondContact O-N 2.98Å; A267-A270 PolarHBondContact O-N 2.72Å; V268-A270 PolarHBondContact O-N 2.89Å; A270-G273 PolarHBondContact O-N 2.95Å; A270-G273 VanDerWaalsContact O-N 3.11Å; A270-E274 PolarHBondContact O-N 3.14Å
271R92.8Very high88.6Confident73 Ų7367.7 Ų67.728%0.27540%0.4SS..Hα-helixtrans-65-40.3-179.8-170.557.6172130.510.2112.7A234 D235 V238 A267 V268 G273 E274 P276A234-R271 HydrophobicContact CB-CB 3.98Å; A234-R271 HydrophobicContact CB-CG 4.45Å; D235-R271 IonicContact OD1-CZ 3.54Å; D235-R271 IonicContact OD1-NE 3.85Å; D235-R271 PolarHBondContact OD1-NE 3.2Å; D235-R271 IonicContact OD1-NH2 3.11Å; V238-R271 HydrophobicContact CB-CG 4.24Å; V238-R271 HydrophobicContact CG2-CB 3.98Å; V238-R271 HydrophobicContact CG2-CG 3.78Å; A267-R271 WeakPolarHBondContact O-CB 3.46Å; A267-R271 PolarHBondContact O-N 2.87Å; V268-R271 PolarHBondContact O-N 2.72Å; R271-G273 VanDerWaalsContact C-N 3.3Å; R271-G273 PolarHBondContact O-N 3.32Å; R271-E274 WeakPolarHBondContact CD-OE2 3.34Å; R271-E274 IonicContact CZ-OE2 3.78Å; R271-E274 IonicContact NE-OE2 3.55Å; R271-E274 IonicContact NH1-OE2 3.82Å; R271-E274 PolarHBondContact NH1-OE2 3.15Å; R271-E274 PolarHBondContact O-N 3.28Å; R271-P276 WeakPolarHBondContact O-CD 3.36Å
272L92Very high88.9Confident40 Ų4065 Ų6521%0.20938%0.383CS..Hα-helixtrans-61.4-39.4171.2-75.2169.9000112.1V238 L241 L257 V268 M269 E274 N275V238-L272 HydrophobicContact CB-CD2 4.42Å; V238-L272 HydrophobicContact CG1-CD2 4.2Å; V238-L272 HydrophobicContact CG2-CD2 3.7Å; V238-L272 HydrophobicContact CG2-CG 3.71Å; L241-L272 HydrophobicContact CD1-CD1 4.47Å; L241-L272 HydrophobicContact CD1-CD2 4.15Å; L257-L272 HydrophobicContact CD1-CD1 3.77Å; V268-L272 HydrophobicContact CG1-CD1 4.22Å; V268-L272 WeakPolarHBondContact O-CG 3.21Å; V268-L272 PolarHBondContact O-N 3.06Å; M269-L272 HydrophobicContact SD-CD1 4.32Å; L272-E274 PolarHBondContact O-N 3.43Å; L272-N275 PolarHBondContact O-N 3.36Å; L272-N275 VanDerWaalsContact O-N 3.09Å
273G91.3Very high89.2Confident65 Ų6567.1 Ų67.167%0.6739%0.385SS*.Hα-helixtrans-67.3-16.9-179.300000114.8M269 A270 R271 N275M269-G273 PolarHBondContact O-N 3.39Å; A270-G273 PolarHBondContact O-N 2.95Å; A270-G273 VanDerWaalsContact O-N 3.11Å; R271-G273 VanDerWaalsContact C-N 3.3Å; R271-G273 PolarHBondContact O-N 3.32Å; G273-N275 PolarHBondContact O-N 2.67Å
274E91.8Very high89.3Confident125 Ų12567.5 Ų67.558%0.58439%0.389SS*.THydrogen-bonded Turntrans-72.6-4.9172.1-67.5174.6177.200112.8A270 R271 L272A270-E274 PolarHBondContact O-N 3.14Å; R271-E274 WeakPolarHBondContact CD-OE2 3.34Å; R271-E274 IonicContact CZ-OE2 3.78Å; R271-E274 IonicContact NE-OE2 3.55Å; R271-E274 IonicContact NH1-OE2 3.82Å; R271-E274 PolarHBondContact NH1-OE2 3.15Å; R271-E274 PolarHBondContact O-N 3.28Å; L272-E274 PolarHBondContact O-N 3.43Å
275N80.3Confident89.1Confident149 Ų14967.6 Ų67.680%0.79739%0.392SS*.  trans51.755.2-176.7-149.9-20.1000113.2L272 G273L272-N275 PolarHBondContact O-N 3.36Å; L272-N275 VanDerWaalsContact O-N 3.09Å; G273-N275 PolarHBondContact O-N 2.67Å
276P69.5Low88.9Confident82 Ų8268.9 Ų68.953%0.53240%0.402SS..  trans-74.70-175.331.9-34.5000114.5V238 L242 R271V238-P276 HydrophobicContact CG1-CB 4.5Å; V238-P276 HydrophobicContact CG1-CG 3.5Å; V238-P276 VanDerWaalsContact CG1-CG 3.5Å; L242-P276 HydrophobicContact CD1-CB 4.47Å; L242-P276 HydrophobicContact CD1-CG 4.35Å; R271-P276 WeakPolarHBondContact O-CD 3.36Å

Retrieved 276 of 276 residues in 52.4 ms (Link to these results)

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