A0A077ZFY6_TRITR Loading...

Zinc metalloproteinase nas-4

AlphaFold DB , UniProt , Accession A0A077ZFY6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 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
1M54.5Low78.4Confident155 Ų15583.1 Ų83.176%0.76442%0.418SS*.  0-52.10-157.4169.4-79.500111.8L3 A4M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.09Å; M1-A4 PolarHBondContact O-N 3.39Å; M1-A4 VanDerWaalsContact O-N 3.09Å
2F56.5Low79.1Confident178 Ų17883.6 Ų83.678%0.78146%0.459SS*.Hα-helixtrans-51.8-37.8178.7-68.8-78.4000116.2A4 V5 N6F2-A4 VanDerWaalsContact C-N 3.26Å; F2-A4 PolarHBondContact O-N 3.49Å; F2-V5 PolarHBondContact O-N 3.23Å; F2-N6 PolarHBondContact O-N 3.44Å
3L61.9Low79.6Confident146 Ų14683.2 Ų83.276%0.76446%0.455SS*.Hα-helixtrans-64.9-27.4-179.7-68.8174.2000113.9M1M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.09Å
4A74.9Confident80.4Confident26 Ų2684.9 Ų84.922%0.21548%0.476CS..Hα-helixtrans-78.3-42.6-179.600000111M1 F2 N6 K7 L39M1-A4 PolarHBondContact O-N 3.39Å; M1-A4 VanDerWaalsContact O-N 3.09Å; F2-A4 VanDerWaalsContact C-N 3.26Å; F2-A4 PolarHBondContact O-N 3.49Å; A4-N6 VanDerWaalsContact C-N 3.31Å; A4-N6 PolarHBondContact O-N 3.3Å; A4-K7 WeakPolarHBondContact O-CB 3.23Å; A4-K7 WeakPolarHBondContact O-CG 3.34Å; A4-K7 PolarHBondContact O-N 3.08Å; A4-L39 CarbonylContact C-O 3.05Å; A4-L39 WeakPolarHBondContact CB-O 3.17Å
5V78.9Confident81.3Confident41 Ų4183.7 Ų83.725%0.24847%0.465CS..Hα-helixtrans-65.9-34.4179-177.70000111.5F2 K7 I8 I9 L39 G40F2-V5 PolarHBondContact O-N 3.23Å; V5-K7 PolarHBondContact O-N 3.09Å; V5-K7 VanDerWaalsContact O-N 3.09Å; V5-I8 WeakPolarHBondContact O-CA 3.12Å; V5-I8 WeakPolarHBondContact O-CB 3.5Å; V5-I8 PolarHBondContact O-N 3.22Å; V5-I9 PolarHBondContact O-N 3.44Å; V5-L39 PolarHBondContact N-O 3.23Å; V5-L39 VanDerWaalsContact N-O 3.08Å; V5-G40 WeakPolarHBondContact CG2-O 3.35Å
6N83.6Confident82.2Confident52 Ų5287.1 Ų87.128%0.27847%0.47SS..THydrogen-bonded Turntrans-62.1-14.3173.2-80.7-23.1000114F2 A4 I8 I9 R10 S11F2-N6 PolarHBondContact O-N 3.44Å; A4-N6 VanDerWaalsContact C-N 3.31Å; A4-N6 PolarHBondContact O-N 3.3Å; N6-I8 VanDerWaalsContact C-N 3.31Å; N6-I9 WeakPolarHBondContact CA-O 3.49Å; N6-I9 PolarHBondContact OD1-O 3.04Å; N6-R10 WeakPolarHBondContact O-CG 3.44Å; N6-S11 PolarHBondContact OD1-N 3.18Å; N6-S11 PolarHBondContact OD1-OG 3.21Å; N6-S11 VanDerWaalsContact OD1-OG 3.09Å
7K86.1Confident83.1Confident120 Ų12087.7 Ų87.752%0.52247%0.469SS..THydrogen-bonded Turntrans-73.5-26.4168.9-60-179.8178.4179.60112A4 V5 L39 G102 R103 Y104A4-K7 WeakPolarHBondContact O-CB 3.23Å; A4-K7 WeakPolarHBondContact O-CG 3.34Å; A4-K7 PolarHBondContact O-N 3.08Å; V5-K7 PolarHBondContact O-N 3.09Å; V5-K7 VanDerWaalsContact O-N 3.09Å; K7-L39 HydrophobicContact CD-CD2 4.44Å; K7-G102 CarbonylContact O-C 3.6Å; K7-G102 WeakPolarHBondContact O-CA 3.4Å; K7-R103 PolarHBondContact O-N 2.01Å; K7-Y104 VanDerWaalsContact O-CB 3.28Å; K7-Y104 WeakPolarHBondContact O-CB 3.35Å; K7-Y104 PolarHBondContact O-N 3.41Å
8I90.5Very high83.9Confident0 Ų084.8 Ų84.80%046%0.455CS..THydrogen-bonded Turntrans-85.9-75.2174.9-49.5175.1000108.3V5 N6 L36 L39 L41 G102 Y104 S105 A161 M164V5-I8 WeakPolarHBondContact O-CA 3.12Å; V5-I8 WeakPolarHBondContact O-CB 3.5Å; V5-I8 PolarHBondContact O-N 3.22Å; N6-I8 VanDerWaalsContact C-N 3.31Å; I8-L36 HydrophobicContact CD1-CD2 4.1Å; I8-L39 HydrophobicContact CD1-CB 3.77Å; I8-L39 HydrophobicContact CD1-CD1 4.12Å; I8-L39 HydrophobicContact CG1-CB 4.15Å; I8-L39 HydrophobicContact CG1-CD1 3.92Å; I8-L41 HydrophobicContact CD1-CB 4.37Å; I8-G102 WeakPolarHBondContact O-CA 3.46Å; I8-G102 PolarHBondContact O-N 3.18Å; I8-Y104 HydrophobicContact CG1-CD1 4.18Å; I8-S105 WeakPolarHBondContact CA-OG 3.44Å; I8-S105 VanDerWaalsContact CG2-OG 3.27Å; I8-S105 WeakPolarHBondContact CG2-OG 3.43Å; I8-S105 WeakPolarHBondContact O-CB 3.45Å; I8-S105 PolarHBondContact O-OG 2.97Å; I8-A161 HydrophobicContact CG2-CB 3.9Å; I8-M164 HydrophobicContact CG2-CB 3.88Å; I8-M164 HydrophobicContact CG2-CG 3.64Å
9I93.3Very high84.6Confident20 Ų2083.1 Ų83.110%0.10345%0.446CS..BIsolated β-bridgetrans-121120.5178.5-52.7-52.8000109.2V5 N6 R100 Y101 P140 A161 M164V5-I9 PolarHBondContact O-N 3.44Å; N6-I9 WeakPolarHBondContact CA-O 3.49Å; N6-I9 PolarHBondContact OD1-O 3.04Å; I9-R100 CarbonylContact C-O 3.55Å; I9-R100 WeakPolarHBondContact CA-O 3.37Å; I9-R100 HydrophobicContact CG2-CB 4.3Å; I9-Y101 HydrophobicContact CD1-CD1 3.46Å; I9-Y101 VanDerWaalsContact CD1-CD1 3.46Å; I9-Y101 HydrophobicContact CD1-CE1 3.5Å; I9-Y101 VanDerWaalsContact CD1-CE1 3.5Å; I9-P140 HydrophobicContact CD1-CB 3.41Å; I9-P140 VanDerWaalsContact CD1-CB 3.41Å; I9-P140 HydrophobicContact CD1-CG 4Å; I9-P140 HydrophobicContact CG1-CB 3.91Å; I9-P140 HydrophobicContact CG2-CB 3.88Å; I9-P140 HydrophobicContact CG2-CG 3.8Å; I9-A161 HydrophobicContact CG1-CB 3.94Å; I9-M164 HydrophobicContact CD1-CE 4.44Å
10R93.5Very high85.2Confident96 Ų9679.5 Ų79.536%0.36243%0.426SS..  trans-72.2132.4174.2-60.4175.3177.8170.9-0.7109.6N6 I13 R100N6-R10 WeakPolarHBondContact O-CG 3.44Å; R10-I13 HydrophobicContact CB-CD1 3.75Å; R10-I13 HydrophobicContact CB-CG1 4.28Å; R10-I13 HydrophobicContact CG-CD1 4.48Å; R10-R100 WeakPolarHBondContact CB-O 3.45Å; R10-R100 PolarHBondContact N-O 2.98Å
11S88.8Confident85.6Confident80 Ų8079.3 Ų79.356%0.55943%0.426SS*.  trans-112.4153.3174.655.30000111N6 I13N6-S11 PolarHBondContact OD1-N 3.18Å; N6-S11 PolarHBondContact OD1-OG 3.21Å; N6-S11 VanDerWaalsContact OD1-OG 3.09Å; S11-I13 PolarHBondContact O-N 3.15Å
12G87.1Confident87.3Confident89 Ų8977 Ų7792%0.91842%0.42SS*.SBendtrans74.919.2175.300000116
13I85.5Confident89Confident78 Ų7873.8 Ų73.840%0.441%0.411SS..SBendtrans-113.2152.5175.364.3169.5000110.8R10 S11 E15R10-I13 HydrophobicContact CB-CD1 3.75Å; R10-I13 HydrophobicContact CB-CG1 4.28Å; R10-I13 HydrophobicContact CG-CD1 4.48Å; S11-I13 PolarHBondContact O-N 3.15Å; I13-E15 PolarHBondContact O-N 2.73Å
14S91Very high90.5Very high107 Ų10767.3 Ų67.375%0.74838%0.377SS*.  trans-67.6125.2166.5-173.50000109
15E93.1Very high91.3Very high68 Ų6868.5 Ų68.532%0.31838%0.377SS..  trans-72143.2176.7-176.5166.2-178.700111.3I13 S98 R100 Y137I13-E15 PolarHBondContact O-N 2.73Å; E15-S98 WeakPolarHBondContact CG-OG 3.34Å; E15-S98 WeakPolarHBondContact OE1-CB 3.19Å; E15-S98 PolarHBondContact OE1-OG 3.2Å; E15-R100 HydrophobicContact CB-CG 4.42Å; E15-R100 HydrophobicContact CG-CG 4.33Å; E15-R100 VanDerWaalsContact OE2-CD 3.23Å; E15-R100 WeakPolarHBondContact OE2-CD 3.37Å; E15-Y137 PolarHBondContact OE1-OH 2.71Å
16Y96.4Very high91.6Very high137 Ų13770.9 Ų70.954%0.53739%0.392SS..  trans-150.3158.817462.6-91.5000110.3S99Y16-S99 VanDerWaalsContact CD1-CB 3.45Å; Y16-S99 WeakPolarHBondContact CD1-OG 3.46Å; Y16-S99 WeakPolarHBondContact CE1-OG 3.26Å; Y16-S99 PolarHBondContact N-OG 3.2Å; Y16-S99 VanDerWaalsContact O-CB 3.24Å; Y16-S99 WeakPolarHBondContact O-CB 3.45Å; Y16-S99 PolarHBondContact O-N 3.09Å; Y16-S99 PolarHBondContact O-OG 3.28Å
17E97.2Very high91.4Very high98 Ų9870.5 Ų70.546%0.45839%0.39SS..EExtended strand (participates in β ladder)trans-74.8130.7178.1-65.8-166151.400111.1I96 Y137E17-I96 HydrophobicContact CB-CG2 3.51Å; E17-I96 HydrophobicContact CG-CG2 3.76Å; E17-I96 WeakPolarHBondContact OE2-CD1 3.21Å; E17-Y137 HydrophobicContact CG-CE2 3.95Å
18T97.4Very high90.9Very high35 Ų3565 Ų6522%0.21537%0.366CS..EExtended strand (participates in β ladder)trans-139.9173.3175.5-173.10000110.8L97T18-L97 HydrophobicContact CG2-CB 4.12Å; T18-L97 WeakPolarHBondContact CG2-O 3.37Å; T18-L97 PolarHBondContact N-O 3.38Å; T18-L97 PolarHBondContact O-N 2.75Å
19N96.6Very high90Very high52 Ų5271.9 Ų71.928%0.27840%0.396SS..  trans-126.6169174.2-65.5-70.2000109.8Y95 R106 P126N19-Y95 HydrophobicContact CB-CE2 4.39Å; N19-Y95 PolarHBondContact OD1-O 3.1Å; N19-Y95 VanDerWaalsContact OD1-O 3.1Å; N19-R106 PolarHBondContact O-NH1 3.3Å; N19-R106 PolarHBondContact O-NH2 2.88Å; N19-P126 HydrophobicContact CB-CB 4.22Å
20L96.7Very high88.9Confident11 Ų1174.9 Ų74.96%0.05842%0.424CS..  trans-74145.2168.3-61.7171.3000109.6D24 F25 Y95 L97 R106 I109 A110 M113L20-D24 WeakPolarHBondContact CA-OD2 3.48Å; L20-D24 HydrophobicContact CB-CB 4.22Å; L20-D24 HydrophobicContact CD2-CB 3.95Å; L20-F25 HydrophobicContact CB-CD2 4.41Å; L20-F25 HydrophobicContact CB-CE2 3.68Å; L20-F25 HydrophobicContact CB-CZ 4.21Å; L20-F25 HydrophobicContact CD1-CE2 4.17Å; L20-F25 HydrophobicContact CD1-CZ 3.85Å; L20-Y95 HydrophobicContact CG-CE2 4.32Å; L20-L97 HydrophobicContact CD2-CD1 4.37Å; L20-L97 HydrophobicContact CD2-CD2 3.82Å; L20-L97 HydrophobicContact CG-CD1 3.89Å; L20-L97 HydrophobicContact CG-CD2 4.19Å; L20-R106 HydrophobicContact CD2-CB 3.87Å; L20-R106 HydrophobicContact CD2-CG 4.34Å; L20-R106 WeakPolarHBondContact CD2-O 3.36Å; L20-I109 HydrophobicContact CD1-CG2 4.15Å; L20-A110 HydrophobicContact CD1-CB 3.82Å; L20-M113 HydrophobicContact CD1-SD 3.75Å
21D93.7Very high87.9Confident77 Ų7771.2 Ų71.241%0.41241%0.411SS..  trans-111.6178.7175.961.238.5000111.6D23 D24 F25 R106D21-D23 PolarHBondContact O-N 3.39Å; D21-D23 WeakPolarHBondContact OD1-CA 3.24Å; D21-D23 WeakPolarHBondContact OD1-CB 3.15Å; D21-D23 PolarHBondContact OD1-N 2.95Å; D21-D24 PolarHBondContact N-OD2 3.01Å; D21-D24 PolarHBondContact O-N 2.82Å; D21-D24 PolarHBondContact OD1-N 3Å; D21-F25 VanDerWaalsContact O-CD2 3.26Å; D21-F25 WeakPolarHBondContact O-CD2 3.26Å; D21-F25 PolarHBondContact O-N 3.43Å; D21-R106 IonicContact OD2-NH2 3.97Å
22V91.4Very high87Confident107 Ų10771.7 Ų71.765%0.64841%0.412SS*.Hα-helixtrans-58.1-35.7-179.7174.20000111.5F25 V26V22-F25 PolarHBondContact O-N 3.14Å; V22-V26 HydrophobicContact CG1-CG2 3.9Å; V22-V26 WeakPolarHBondContact O-CB 3.39Å; V22-V26 VanDerWaalsContact O-CG2 3.31Å; V22-V26 WeakPolarHBondContact O-CG2 3.17Å; V22-V26 PolarHBondContact O-N 3.03Å
23D91.5Very high86.1Confident110 Ų11075.7 Ų75.759%0.58841%0.407SS*.Hα-helixtrans-68.8-36.5-178.8-66.1-22.7000110.9D21 F25 D27D21-D23 PolarHBondContact O-N 3.39Å; D21-D23 WeakPolarHBondContact OD1-CA 3.24Å; D21-D23 WeakPolarHBondContact OD1-CB 3.15Å; D21-D23 PolarHBondContact OD1-N 2.95Å; D23-F25 VanDerWaalsContact C-N 3.3Å; D23-F25 PolarHBondContact O-N 3.43Å; D23-D27 WeakPolarHBondContact O-CB 3.39Å; D23-D27 PolarHBondContact O-N 3.35Å
24D93.8Very high85.5Confident10 Ų1073.5 Ų73.55%0.05340%0.397CS..Hα-helixtrans-61.3-37.7174.4-64.2-59.6000112.5L20 D21 R106 A110L20-D24 WeakPolarHBondContact CA-OD2 3.48Å; L20-D24 HydrophobicContact CB-CB 4.22Å; L20-D24 HydrophobicContact CD2-CB 3.95Å; D21-D24 PolarHBondContact N-OD2 3.01Å; D21-D24 PolarHBondContact O-N 2.82Å; D21-D24 PolarHBondContact OD1-N 3Å; D24-R106 VanDerWaalsContact OD1-CB 3.29Å; D24-R106 WeakPolarHBondContact OD1-CB 3.4Å; D24-R106 IonicContact OD1-CZ 3.94Å; D24-R106 IonicContact OD1-NE 3.09Å; D24-R106 PolarHBondContact OD1-NE 2.93Å; D24-R106 VanDerWaalsContact OD1-NE 3.09Å; D24-R106 IonicContact OD1-NH2 3.97Å; D24-R106 IonicContact OD2-CZ 3.18Å; D24-R106 IonicContact OD2-NE 3.13Å; D24-R106 PolarHBondContact OD2-NE 3.46Å; D24-R106 VanDerWaalsContact OD2-NE 3.13Å; D24-R106 IonicContact OD2-NH2 2.62Å; D24-R106 PolarHBondContact OD2-NH2 3.49Å; D24-A110 HydrophobicContact CB-CB 4.18Å; D24-A110 WeakPolarHBondContact O-CB 3.39Å
25F90.4Very high84.8Confident51 Ų5173.2 Ų73.222%0.22439%0.387CS..Hα-helixtrans-79.6-39.4178.4-73.3-78.2000113L20 D21 V22 D23 N28 A110 M113L20-F25 HydrophobicContact CB-CD2 4.41Å; L20-F25 HydrophobicContact CB-CE2 3.68Å; L20-F25 HydrophobicContact CB-CZ 4.21Å; L20-F25 HydrophobicContact CD1-CE2 4.17Å; L20-F25 HydrophobicContact CD1-CZ 3.85Å; D21-F25 VanDerWaalsContact O-CD2 3.26Å; D21-F25 WeakPolarHBondContact O-CD2 3.26Å; D21-F25 PolarHBondContact O-N 3.43Å; V22-F25 PolarHBondContact O-N 3.14Å; D23-F25 VanDerWaalsContact C-N 3.3Å; D23-F25 PolarHBondContact O-N 3.43Å; F25-N28 PolarHBondContact O-N 3.11Å; F25-N28 PolarHBondContact O-ND2 3.05Å; F25-N28 PolarHBondContact O-OD1 3Å; F25-A110 HydrophobicContact CD1-CB 4Å; F25-A110 HydrophobicContact CE1-CB 4.1Å; F25-A110 HydrophobicContact CG-CB 4.36Å; F25-M113 HydrophobicContact CE1-CB 4.4Å
26V86.6Confident84.2Confident91 Ų9170.5 Ų70.555%0.55238%0.375SS*.Hα-helixtrans-68.5-41.8178.5171.20000111V22 N28V22-V26 HydrophobicContact CG1-CG2 3.9Å; V22-V26 WeakPolarHBondContact O-CB 3.39Å; V22-V26 VanDerWaalsContact O-CG2 3.31Å; V22-V26 WeakPolarHBondContact O-CG2 3.17Å; V22-V26 PolarHBondContact O-N 3.03Å; V26-N28 PolarHBondContact O-N 3.34Å
27D79Confident83.4Confident44 Ų4472.1 Ų72.124%0.23538%0.38CS..G310 helixtrans-72.8-13.9-177.7-83.8-4.5000113.6D23 F29 A30 R103 K107D23-D27 WeakPolarHBondContact O-CB 3.39Å; D23-D27 PolarHBondContact O-N 3.35Å; D27-F29 VanDerWaalsContact C-N 3.28Å; D27-F29 PolarHBondContact O-N 3.17Å; D27-A30 PolarHBondContact O-N 3.07Å; D27-R103 IonicContact OD2-CZ 3.69Å; D27-R103 IonicContact OD2-NE 3.82Å; D27-R103 IonicContact OD2-NH2 2.75Å; D27-R103 PolarHBondContact OD2-NH2 2.89Å; D27-K107 HydrophobicContact CB-CD 3.93Å; D27-K107 HydrophobicContact CB-CG 4.3Å; D27-K107 VanDerWaalsContact CB-NZ 3.27Å; D27-K107 WeakPolarHBondContact OD2-CE 3.29Å; D27-K107 IonicContact OD2-NZ 2.75Å; D27-K107 PolarHBondContact OD2-NZ 3.26Å
28N76.4Confident82.5Confident3 Ų371.4 Ų71.42%0.01639%0.386CS..G310 helixtrans-67.7-28.7-173.97811.6000112.4F25 V26 A30 M31 R111F25-N28 PolarHBondContact O-N 3.11Å; F25-N28 PolarHBondContact O-ND2 3.05Å; F25-N28 PolarHBondContact O-OD1 3Å; V26-N28 PolarHBondContact O-N 3.34Å; N28-A30 VanDerWaalsContact C-N 3.29Å; N28-A30 PolarHBondContact O-N 3Å; N28-M31 PolarHBondContact O-N 2.88Å; N28-R111 HydrophobicContact CB-CB 4.08Å
29F70.5Confident81.7Confident146 Ų14670.6 Ų70.664%0.6438%0.381SS*.G310 helixtrans-70.5-26.3179.3-68.2-78.7000112.8D27 D114D27-F29 VanDerWaalsContact C-N 3.28Å; D27-F29 PolarHBondContact O-N 3.17Å; F29-D114 WeakPolarHBondContact CZ-OD2 3.47Å
30A71.1Confident80.8Confident83 Ų8368.9 Ų68.969%0.68638%0.375SS*.G310 helixtrans-96.27.1-179.400000112.7D27 N28 P32D27-A30 PolarHBondContact O-N 3.07Å; N28-A30 VanDerWaalsContact C-N 3.29Å; N28-A30 PolarHBondContact O-N 3Å; A30-P32 VanDerWaalsContact O-CD 3.24Å; A30-P32 WeakPolarHBondContact O-CD 3.08Å
31M71.8Confident80.1Confident19 Ų1969.9 Ų69.99%0.09438%0.38CS..  trans-71.7117-179.6-170.3-172.5-63.600109.9N28 Y104 K107 V108N28-M31 PolarHBondContact O-N 2.88Å; M31-Y104 HydrophobicContact CE-CD2 4.4Å; M31-Y104 HydrophobicContact CE-CE2 4.37Å; M31-Y104 HydrophobicContact CG-CE2 4.3Å; M31-Y104 HydrophobicContact SD-CD2 4.14Å; M31-Y104 HydrophobicContact SD-CE2 3.57Å; M31-Y104 VanDerWaalsContact SD-CE2 3.57Å; M31-K107 HydrophobicContact CE-CB 3.08Å; M31-K107 HydrophobicContact CE-CD 4.13Å; M31-K107 HydrophobicContact CE-CG 4.25Å; M31-V108 HydrophobicContact CE-CG2 3.77Å; M31-V108 HydrophobicContact SD-CG2 3.79Å
32P69.5Low79.1Confident89 Ų8973.1 Ų73.158%0.57839%0.393SS*.  trans-63.3153.4172.126.7-31.5000109.6A30 V34A30-P32 VanDerWaalsContact O-CD 3.24Å; A30-P32 WeakPolarHBondContact O-CD 3.08Å; P32-V34 HydrophobicContact CG-CG2 3.9Å; P32-V34 WeakPolarHBondContact O-CG2 3.49Å; P32-V34 PolarHBondContact O-N 3.36Å
33E69.5Low78.2Confident173 Ų17370.5 Ų70.581%0.80838%0.379SS*.  trans-60.4110.5164-73-177.1-179.900108.2
34V72Confident77.4Confident32 Ų3272.4 Ų72.419%0.19439%0.389CS..  trans-107.8123.2-179.4179.90000108.5P32 L36 S38 L39 Y104P32-V34 HydrophobicContact CG-CG2 3.9Å; P32-V34 WeakPolarHBondContact O-CG2 3.49Å; P32-V34 PolarHBondContact O-N 3.36Å; V34-L36 PolarHBondContact O-N 3.39Å; V34-S38 WeakPolarHBondContact CG1-OG 3.39Å; V34-L39 HydrophobicContact CG1-CD1 3.67Å; V34-L39 HydrophobicContact CG1-CD2 4.03Å; V34-L39 HydrophobicContact CG1-CG 3.53Å; V34-Y104 HydrophobicContact CB-CE2 3.82Å; V34-Y104 HydrophobicContact CG1-CE2 4.35Å; V34-Y104 HydrophobicContact CG2-CE2 3.9Å
35N76.6Confident76.8Confident102 Ų10277.8 Ų77.855%0.54541%0.414SS..  trans-69.8121.8166.4-174.8-45.7000108.7R37 S38N35-R37 PolarHBondContact O-N 2.57Å; N35-R37 WeakPolarHBondContact OD1-CB 3.44Å; N35-R37 WeakPolarHBondContact OD1-CG 3.44Å; N35-R37 PolarHBondContact OD1-N 3.26Å; N35-S38 WeakPolarHBondContact O-CA 3.16Å; N35-S38 VanDerWaalsContact O-CB 3.27Å; N35-S38 WeakPolarHBondContact O-CB 3.34Å; N35-S38 PolarHBondContact O-N 2.91Å; N35-S38 PolarHBondContact O-OG 2.81Å
36L79.8Confident76.5Confident11 Ų1179.2 Ų79.26%0.05842%0.424CS..G310 helixtrans-54.5-28.9-179.6-69.6-179.2000113.5I8 V34 S38 L39 G40 L41 Y104 M164 E165I8-L36 HydrophobicContact CD1-CD2 4.1Å; V34-L36 PolarHBondContact O-N 3.39Å; L36-S38 VanDerWaalsContact C-N 3.26Å; L36-S38 PolarHBondContact O-N 2.62Å; L36-L39 HydrophobicContact CD2-CD1 4.32Å; L36-L39 CarbonylContact O-C 3.57Å; L36-L39 WeakPolarHBondContact O-CA 3.4Å; L36-L39 WeakPolarHBondContact O-CB 3.4Å; L36-L39 PolarHBondContact O-N 2.88Å; L36-G40 PolarHBondContact O-N 2.79Å; L36-L41 HydrophobicContact CB-CB 4.07Å; L36-L41 HydrophobicContact CB-CD2 3.93Å; L36-L41 HydrophobicContact CD1-CD2 3.8Å; L36-L41 HydrophobicContact CG-CD2 4.43Å; L36-L41 WeakPolarHBondContact O-CB 3.42Å; L36-L41 PolarHBondContact O-N 2.91Å; L36-L41 VanDerWaalsContact O-N 3.11Å; L36-Y104 HydrophobicContact CD2-CE1 3.78Å; L36-M164 HydrophobicContact CD2-CB 4.17Å; L36-M164 WeakPolarHBondContact CD2-O 3.44Å; L36-E165 HydrophobicContact CD1-CG 3.57Å; L36-E165 HydrophobicContact CG-CG 4.22Å
37R79.7Confident76.5Confident170 Ų17076.1 Ų76.164%0.64241%0.406SS*.G310 helixtrans-61.9-34.1173.3-59.2-178.1174.4-138.4-6.1112.4N35 L39 G40 L41N35-R37 PolarHBondContact O-N 2.57Å; N35-R37 WeakPolarHBondContact OD1-CB 3.44Å; N35-R37 WeakPolarHBondContact OD1-CG 3.44Å; N35-R37 PolarHBondContact OD1-N 3.26Å; R37-L39 PolarHBondContact O-N 3.41Å; R37-G40 PolarHBondContact O-N 2.85Å; R37-L41 WeakPolarHBondContact CA-O 3.3Å
38S79.1Confident76.9Confident84 Ų8477.7 Ų77.759%0.58741%0.414SS*.G310 helixtrans-68.3-23.2174.376.40000112.8V34 N35 L36 G40V34-S38 WeakPolarHBondContact CG1-OG 3.39Å; N35-S38 WeakPolarHBondContact O-CA 3.16Å; N35-S38 VanDerWaalsContact O-CB 3.27Å; N35-S38 WeakPolarHBondContact O-CB 3.34Å; N35-S38 PolarHBondContact O-N 2.91Å; N35-S38 PolarHBondContact O-OG 2.81Å; L36-S38 VanDerWaalsContact C-N 3.26Å; L36-S38 PolarHBondContact O-N 2.62Å; S38-G40 VanDerWaalsContact C-N 3.26Å
39L80.1Confident77.5Confident18 Ų1882.9 Ų82.99%0.09444%0.441CS..G310 helixtrans-87.56.3170.8-63.3178.3000112.7A4 V5 K7 I8 V34 L36 R37 Y104A4-L39 CarbonylContact C-O 3.05Å; A4-L39 WeakPolarHBondContact CB-O 3.17Å; V5-L39 PolarHBondContact N-O 3.23Å; V5-L39 VanDerWaalsContact N-O 3.08Å; K7-L39 HydrophobicContact CD-CD2 4.44Å; I8-L39 HydrophobicContact CD1-CB 3.77Å; I8-L39 HydrophobicContact CD1-CD1 4.12Å; I8-L39 HydrophobicContact CG1-CB 4.15Å; I8-L39 HydrophobicContact CG1-CD1 3.92Å; V34-L39 HydrophobicContact CG1-CD1 3.67Å; V34-L39 HydrophobicContact CG1-CD2 4.03Å; V34-L39 HydrophobicContact CG1-CG 3.53Å; L36-L39 HydrophobicContact CD2-CD1 4.32Å; L36-L39 CarbonylContact O-C 3.57Å; L36-L39 WeakPolarHBondContact O-CA 3.4Å; L36-L39 WeakPolarHBondContact O-CB 3.4Å; L36-L39 PolarHBondContact O-N 2.88Å; R37-L39 PolarHBondContact O-N 3.41Å; L39-Y104 HydrophobicContact CD1-CD1 3.57Å; L39-Y104 HydrophobicContact CD1-CD2 3.87Å; L39-Y104 HydrophobicContact CD1-CE1 3.6Å; L39-Y104 HydrophobicContact CD1-CE2 3.91Å; L39-Y104 HydrophobicContact CD1-CG 3.7Å
40G78.4Confident78.3Confident15 Ų1578.7 Ų78.716%0.15542%0.423CS..THydrogen-bonded Turntrans87.59.7176.100000114.7V5 L36 R37 S38 Q42V5-G40 WeakPolarHBondContact CG2-O 3.35Å; L36-G40 PolarHBondContact O-N 2.79Å; R37-G40 PolarHBondContact O-N 2.85Å; S38-G40 VanDerWaalsContact C-N 3.26Å; G40-Q42 PolarHBondContact O-N 3.32Å
41L81.2Confident79Confident32 Ų3275.7 Ų75.717%0.16840%0.398CS..  trans-75.2120.3172.5-167.169.2000110.2I8 L36 R37 A161I8-L41 HydrophobicContact CD1-CB 4.37Å; L36-L41 HydrophobicContact CB-CB 4.07Å; L36-L41 HydrophobicContact CB-CD2 3.93Å; L36-L41 HydrophobicContact CD1-CD2 3.8Å; L36-L41 HydrophobicContact CG-CD2 4.43Å; L36-L41 WeakPolarHBondContact O-CB 3.42Å; L36-L41 PolarHBondContact O-N 2.91Å; L36-L41 VanDerWaalsContact O-N 3.11Å; R37-L41 WeakPolarHBondContact CA-O 3.3Å; L41-A161 HydrophobicContact CD1-CB 3.59Å; L41-A161 WeakPolarHBondContact CD2-O 3.27Å
42Q73.3Confident79.7Confident146 Ų14678 Ų7868%0.68243%0.428SS*.  trans-122.243.9-178.8-62.9-171.3-14.700111.6G40G40-Q42 PolarHBondContact O-N 3.32Å
43S72.9Confident80.5Confident51 Ų5177.4 Ų77.436%0.35742%0.416SS..  trans-86.7135.9173.4-1710000110.9Q45S43-Q45 PolarHBondContact OG-N 3.03Å; S43-Q45 VanDerWaalsContact OG-N 3.14Å; S43-Q45 PolarHBondContact OG-O 3.21Å
44N73.8Confident81.1Confident151 Ų15173.8 Ų73.881%0.80740%0.397SS*.  trans-102.8-0.6167.9-70.2-30.3000111.9
45Q80.9Confident81.6Confident123 Ų12379.3 Ų79.358%0.57542%0.421SS*.SBendtrans-89.1139.3176.8-67-178-18.700109.3S43 P47S43-Q45 PolarHBondContact OG-N 3.03Å; S43-Q45 VanDerWaalsContact OG-N 3.14Å; S43-Q45 PolarHBondContact OG-O 3.21Å; Q45-P47 WeakPolarHBondContact O-CD 3.34Å
46D85Confident82.1Confident80 Ų8075 Ų7543%0.42840%0.401SS..  trans-66.6115.5169.6-175.3-16.9000108.3L48 L49 Q50D46-L48 PolarHBondContact O-N 3.16Å; D46-L48 VanDerWaalsContact OD1-CB 3.29Å; D46-L48 WeakPolarHBondContact OD1-CB 3.4Å; D46-L48 PolarHBondContact OD1-N 3.45Å; D46-L49 HydrophobicContact CB-CB 4.3Å; D46-L49 HydrophobicContact CB-CD1 4.2Å; D46-L49 HydrophobicContact CB-CG 4.12Å; D46-L49 PolarHBondContact O-N 2.99Å; D46-Q50 PolarHBondContact O-N 3.21Å; D46-Q50 VanDerWaalsContact O-N 3.1Å
47P86.3Confident82.6Confident27 Ų2777.5 Ų77.518%0.17541%0.414CS..Hα-helixtrans-65.2-20.6-176.931.2-38.2000112.1Q45 L49 G143 C144Q45-P47 WeakPolarHBondContact O-CD 3.34Å; P47-L49 VanDerWaalsContact C-N 3.3Å; P47-G143 CarbonylContact O-C 2.97Å; P47-G143 VanDerWaalsContact O-CA 3.26Å; P47-G143 WeakPolarHBondContact O-CA 3.26Å; P47-C144 VanDerWaalsContact CB-SG 3.59Å; P47-C144 PolarHBondContact O-N 3.02Å
48L87.4Confident83Confident76 Ų7670.8 Ų70.840%0.39839%0.391SS..Hα-helixtrans-70.3-26.5172.7-58.4-176000112.4D46 G56 D57 C144D46-L48 PolarHBondContact O-N 3.16Å; D46-L48 VanDerWaalsContact OD1-CB 3.29Å; D46-L48 WeakPolarHBondContact OD1-CB 3.4Å; D46-L48 PolarHBondContact OD1-N 3.45Å; L48-G56 CarbonylContact O-C 3.55Å; L48-G56 WeakPolarHBondContact O-CA 3.49Å; L48-D57 HydrophobicContact CD2-CB 4.37Å; L48-C144 HydrophobicContact CD2-CB 3.7Å
49L88.4Confident83.4Confident113 Ų11367.3 Ų67.359%0.59237%0.367SS*.Hα-helixtrans-98.5-17.8-179.2-59.6-177.2000112.6D46 P47 A51 G52D46-L49 HydrophobicContact CB-CB 4.3Å; D46-L49 HydrophobicContact CB-CD1 4.2Å; D46-L49 HydrophobicContact CB-CG 4.12Å; D46-L49 PolarHBondContact O-N 2.99Å; P47-L49 VanDerWaalsContact C-N 3.3Å; L49-A51 VanDerWaalsContact C-N 3.25Å; L49-A51 PolarHBondContact O-N 2.7Å; L49-G52 PolarHBondContact O-N 2.62Å
50Q86.6Confident83.3Confident58 Ų5868.7 Ų68.727%0.27139%0.386SS..Hα-helixtrans-60.5-35-173.3-170.1176.2-12.900112.9D46 G52 E142 D160D46-Q50 PolarHBondContact O-N 3.21Å; D46-Q50 VanDerWaalsContact O-N 3.1Å; Q50-G52 VanDerWaalsContact C-N 3.32Å; Q50-G52 PolarHBondContact O-N 2.75Å; Q50-E142 HydrophobicContact CG-CG 3.83Å; Q50-E142 PolarHBondContact NE2-OE1 2.98Å; Q50-D160 PolarHBondContact OE1-OD2 3.13Å
51A87.7Confident82.7Confident19 Ų1970 Ų7016%0.15739%0.387CS..THydrogen-bonded Turntrans-81.4-8.2-174.600000114.7L49 K53 E142 Y145L49-A51 VanDerWaalsContact C-N 3.25Å; L49-A51 PolarHBondContact O-N 2.7Å; A51-K53 VanDerWaalsContact C-N 3.33Å; A51-K53 HydrophobicContact CB-CD 4.37Å; A51-K53 HydrophobicContact CB-CG 3.83Å; A51-K53 WeakPolarHBondContact O-CD 3.44Å; A51-K53 PolarHBondContact O-N 3.09Å; A51-E142 VanDerWaalsContact CB-O 3.26Å; A51-E142 WeakPolarHBondContact CB-O 3.33Å; A51-Y145 HydrophobicContact CB-CD1 3.44Å; A51-Y145 VanDerWaalsContact CB-CD1 3.44Å; A51-Y145 HydrophobicContact CB-CE1 3.93Å; A51-Y145 HydrophobicContact CB-CG 4.45Å
52G86Confident81.1Confident69 Ų6973.9 Ų73.971%0.71143%0.425SS*.  trans58.736.9-18000000114.2L49 Q50L49-G52 PolarHBondContact O-N 2.62Å; Q50-G52 VanDerWaalsContact C-N 3.32Å; Q50-G52 PolarHBondContact O-N 2.75Å
53K85.8Confident79.7Confident76 Ų7670.8 Ų70.833%0.3343%0.432SS..BIsolated β-bridgetrans-88.5171.7-179.1-50.8-56.8-175.8-159.80111.6A51 G56 I58 A59 Y145A51-K53 VanDerWaalsContact C-N 3.33Å; A51-K53 HydrophobicContact CB-CD 4.37Å; A51-K53 HydrophobicContact CB-CG 3.83Å; A51-K53 WeakPolarHBondContact O-CD 3.44Å; A51-K53 PolarHBondContact O-N 3.09Å; K53-G56 VanDerWaalsContact CB-O 3.3Å; K53-G56 WeakPolarHBondContact CB-O 3.43Å; K53-G56 PolarHBondContact N-O 3.42Å; K53-G56 VanDerWaalsContact N-O 3.15Å; K53-G56 PolarHBondContact O-N 3.43Å; K53-I58 WeakPolarHBondContact CB-O 3.49Å; K53-A59 HydrophobicContact CD-CB 4.42Å; K53-Y145 HydrophobicContact CD-CD1 4.48Å; K53-Y145 HydrophobicContact CD-CG 4.41Å; K53-Y145 HydrophobicContact CG-CD1 4.07Å; K53-Y145 HydrophobicContact CG-CG 3.9Å
54F81.7Confident78.1Confident96 Ų9670.4 Ų70.442%0.42143%0.431SS..BIsolated β-bridgetrans-61.5137.7176.3178-102.2000109.5G56 D57 I58 F61F54-G56 PolarHBondContact O-N 3.35Å; F54-D57 PolarHBondContact O-N 3.1Å; F54-I58 HydrophobicContact CB-CB 4.36Å; F54-I58 WeakPolarHBondContact CB-O 3.31Å; F54-I58 HydrophobicContact CD1-CB 4.19Å; F54-I58 HydrophobicContact CD1-CD1 4.35Å; F54-I58 PolarHBondContact N-O 3.19Å; F54-I58 WeakPolarHBondContact O-CA 3.2Å; F54-I58 WeakPolarHBondContact O-CB 3.28Å; F54-I58 PolarHBondContact O-N 2.97Å; F54-F61 HydrophobicContact CB-CB 3.84Å; F54-F61 HydrophobicContact CB-CD2 4.48Å; F54-F61 HydrophobicContact CB-CG 4.28Å; F54-F61 HydrophobicContact CD1-CB 4.34Å; F54-F61 HydrophobicContact CD1-CD1 4.2Å; F54-F61 HydrophobicContact CD1-CD2 4.17Å; F54-F61 AromaticContact CD1-CG 3.97Å; F54-F61 HydrophobicContact CD1-CG 3.97Å; F54-F61 HydrophobicContact CE1-CD1 4.4Å; F54-F61 HydrophobicContact CG-CB 4.01Å; F54-F61 HydrophobicContact CG-CG 4.15Å
55E82.8Confident76.7Confident149 Ų14967.1 Ų67.170%0.69642%0.417SS*.THydrogen-bonded Turntrans53.117.3-171.8-68-179.4-172.600115I58E55-I58 HydrophobicContact CB-CD1 4.03Å; E55-I58 HydrophobicContact CB-CG1 4.3Å
56G87.9Confident75Confident11 Ų1166.3 Ų66.311%0.11342%0.423CS..BIsolated β-bridgetrans100.9-56.4-175.800000112L48 K53 F54L48-G56 CarbonylContact O-C 3.55Å; L48-G56 WeakPolarHBondContact O-CA 3.49Å; K53-G56 VanDerWaalsContact CB-O 3.3Å; K53-G56 WeakPolarHBondContact CB-O 3.43Å; K53-G56 PolarHBondContact N-O 3.42Å; K53-G56 VanDerWaalsContact N-O 3.15Å; K53-G56 PolarHBondContact O-N 3.43Å; F54-G56 PolarHBondContact O-N 3.35Å
57D90.3Very high73.2Confident63 Ų6368.7 Ų68.734%0.33743%0.434SS..THydrogen-bonded Turntrans-125.17-163.469.5-21.8000114.7L48 F54 C144 Y145 S146L48-D57 HydrophobicContact CD2-CB 4.37Å; F54-D57 PolarHBondContact O-N 3.1Å; D57-C144 WeakPolarHBondContact CB-O 3.39Å; D57-Y145 WeakPolarHBondContact O-CA 3.28Å; D57-Y145 WeakPolarHBondContact O-CB 3.39Å; D57-S146 PolarHBondContact O-N 2.71Å; D57-S146 VanDerWaalsContact O-N 3.12Å
58I86.6Confident71.4Confident29 Ų2971.7 Ų71.715%0.14945%0.452CS..EExtended strand (participates in β ladder)trans-102.5108.5-177.6-48.7-175.5000112K53 F54 E55 F61 V148K53-I58 WeakPolarHBondContact CB-O 3.49Å; F54-I58 HydrophobicContact CB-CB 4.36Å; F54-I58 WeakPolarHBondContact CB-O 3.31Å; F54-I58 HydrophobicContact CD1-CB 4.19Å; F54-I58 HydrophobicContact CD1-CD1 4.35Å; F54-I58 PolarHBondContact N-O 3.19Å; F54-I58 WeakPolarHBondContact O-CA 3.2Å; F54-I58 WeakPolarHBondContact O-CB 3.28Å; F54-I58 PolarHBondContact O-N 2.97Å; E55-I58 HydrophobicContact CB-CD1 4.03Å; E55-I58 HydrophobicContact CB-CG1 4.3Å; I58-F61 HydrophobicContact CB-CD2 4.41Å; I58-F61 HydrophobicContact CB-CE2 4.43Å; I58-F61 HydrophobicContact CG2-CD2 3.48Å; I58-F61 VanDerWaalsContact CG2-CD2 3.48Å; I58-F61 HydrophobicContact CG2-CE2 3.21Å; I58-F61 HydrophobicContact CG2-CZ 4.23Å; I58-V148 HydrophobicContact CD1-CG2 4.49Å; I58-V148 HydrophobicContact CG2-CG2 3.43Å; I58-V148 VanDerWaalsContact CG2-CG2 3.43Å
59A87.5Confident69.7Low11 Ų1171.4 Ų71.49%0.09145%0.448CS..EExtended strand (participates in β ladder)trans-84.6164.1175.100000112.8K53 Y145 S146 M147K53-A59 HydrophobicContact CD-CB 4.42Å; A59-Y145 HydrophobicContact CB-CD2 3.74Å; A59-Y145 HydrophobicContact CB-CE2 4.33Å; A59-S146 PolarHBondContact N-O 2.93Å; A59-M147 HydrophobicContact CB-CG 4.08Å; A59-M147 WeakPolarHBondContact O-CA 3.4Å
60G78.4Confident67.8Low48 Ų4874.7 Ų74.750%0.49546%0.458SS..SBendtrans86.4-0.1175.300000115.7
61F66.9Low66.1Low41 Ų4179.2 Ų79.218%0.1848%0.478CS..  trans-92.3-4177.1-76.2-98.3000114.5F54 I58 G63 A64 F69 V148F54-F61 HydrophobicContact CB-CB 3.84Å; F54-F61 HydrophobicContact CB-CD2 4.48Å; F54-F61 HydrophobicContact CB-CG 4.28Å; F54-F61 HydrophobicContact CD1-CB 4.34Å; F54-F61 HydrophobicContact CD1-CD1 4.2Å; F54-F61 HydrophobicContact CD1-CD2 4.17Å; F54-F61 AromaticContact CD1-CG 3.97Å; F54-F61 HydrophobicContact CD1-CG 3.97Å; F54-F61 HydrophobicContact CE1-CD1 4.4Å; F54-F61 HydrophobicContact CG-CB 4.01Å; F54-F61 HydrophobicContact CG-CG 4.15Å; I58-F61 HydrophobicContact CB-CD2 4.41Å; I58-F61 HydrophobicContact CB-CE2 4.43Å; I58-F61 HydrophobicContact CG2-CD2 3.48Å; I58-F61 VanDerWaalsContact CG2-CD2 3.48Å; I58-F61 HydrophobicContact CG2-CE2 3.21Å; I58-F61 HydrophobicContact CG2-CZ 4.23Å; F61-G63 PolarHBondContact O-N 2.68Å; F61-A64 PolarHBondContact O-N 3.06Å; F61-F69 HydrophobicContact CE1-CD2 4.14Å; F61-F69 AromaticContact CE1-CE2 3.8Å; F61-F69 HydrophobicContact CE1-CE2 3.8Å; F61-F69 HydrophobicContact CZ-CD2 4.35Å; F61-F69 AromaticContact CZ-CE2 3.57Å; F61-F69 HydrophobicContact CZ-CE2 3.57Å; F61-F69 HydrophobicContact CZ-CZ 4.36Å; F61-V148 HydrophobicContact CE2-CG2 3.93Å; F61-V148 HydrophobicContact CZ-CG2 4.31Å
62A47.1Very low64.3Low115 Ų11581.2 Ų81.295%0.9549%0.487SS*.THydrogen-bonded Turntrans-70.876.5176.800000110.6
63G43.4Very low62.8Low81 Ų8184.3 Ų84.384%0.83549%0.494SS*.THydrogen-bonded Turntrans135.4-14.517900000115.1F61F61-G63 PolarHBondContact O-N 2.68Å
64A40.6Very low61.5Low42 Ų4285.3 Ų85.335%0.34752%0.516SS..  trans-90.9116.217400000109.2F61F61-A64 PolarHBondContact O-N 3.06Å
65T42.6Very low60.2Low82 Ų8282.2 Ų82.250%0.50351%0.512SS..  trans-51.9143.9169.649.90000109.6L67 T68T65-L67 PolarHBondContact O-N 3.11Å; T65-T68 PolarHBondContact O-N 3.02Å
66P47.2Very low58.8Low107 Ų10780.4 Ų80.470%0.69551%0.511SS*.G310 helixtrans-49.2-14174.3-27.433.5000114.9T68 F69P66-T68 VanDerWaalsContact C-N 3.26Å; P66-T68 PolarHBondContact O-N 2.71Å; P66-F69 PolarHBondContact O-N 2.91Å
67L46.6Very low57.1Low129 Ų12981.6 Ų81.668%0.67552%0.519SS*.G310 helixtrans-65.2-12.6179-59172.6000115.6T65 F69 K70T65-L67 PolarHBondContact O-N 3.11Å; L67-F69 VanDerWaalsContact C-N 3.32Å; L67-K70 PolarHBondContact O-N 3.46Å
68T48.4Very low55.8Low90 Ų9084.9 Ų84.955%0.55253%0.532SS*.G310 helixtrans-75.5-21.5174.746.10000112.9T65 P66 K70T65-T68 PolarHBondContact O-N 3.02Å; P66-T68 VanDerWaalsContact C-N 3.26Å; P66-T68 PolarHBondContact O-N 2.71Å; T68-K70 PolarHBondContact O-N 2.97Å
69F51Low55Low71 Ų7190.9 Ų90.931%0.31157%0.565SS.*SBendtrans-91.585.3155.1-71.3-99.5000106.4F61 P66 L67 H71 V81 V148F61-F69 HydrophobicContact CE1-CD2 4.14Å; F61-F69 AromaticContact CE1-CE2 3.8Å; F61-F69 HydrophobicContact CE1-CE2 3.8Å; F61-F69 HydrophobicContact CZ-CD2 4.35Å; F61-F69 AromaticContact CZ-CE2 3.57Å; F61-F69 HydrophobicContact CZ-CE2 3.57Å; F61-F69 HydrophobicContact CZ-CZ 4.36Å; P66-F69 PolarHBondContact O-N 2.91Å; L67-F69 VanDerWaalsContact C-N 3.32Å; F69-H71 VanDerWaalsContact C-N 3.32Å; F69-H71 PolarHBondContact O-N 2.95Å; F69-V81 HydrophobicContact CE1-CB 4.43Å; F69-V81 HydrophobicContact CE1-CG2 3.7Å; F69-V81 HydrophobicContact CE2-CG2 4.45Å; F69-V81 HydrophobicContact CZ-CG2 3.42Å; F69-V81 VanDerWaalsContact CZ-CG2 3.42Å; F69-V148 HydrophobicContact CZ-CG1 4.46Å
70K48.9Very low54.3Low181 Ų18193.4 Ų93.479%0.78759%0.586SS**  trans-52.5103171.8-80.9-173.7177179.10108.1L67 T68 D72L67-K70 PolarHBondContact O-N 3.46Å; T68-K70 PolarHBondContact O-N 2.97Å; K70-D72 VanDerWaalsContact C-N 3.34Å; K70-D72 PolarHBondContact O-N 2.84Å
71H50.5Low54Low153 Ų15392.6 Ų92.671%0.70857%0.571SS**  trans-62.5102.5168.2-139.1-64.4000105.1F69 P73F69-H71 VanDerWaalsContact C-N 3.32Å; F69-H71 PolarHBondContact O-N 2.95Å; H71-P73 WeakPolarHBondContact O-CD 3.49Å
72D50.8Low54.3Low62 Ų6297.1 Ų97.133%0.33259%0.587SS.*  trans-66114.5169.8-175.3-11.6000106.7K70 A74K70-D72 VanDerWaalsContact C-N 3.34Å; K70-D72 PolarHBondContact O-N 2.84Å; D72-A74 PolarHBondContact O-N 3.04Å; D72-A74 PolarHBondContact OD1-N 3.21Å
73P54.4Low55.7Low134 Ų13495.2 Ų95.287%0.8756%0.561SS**THydrogen-bonded Turntrans-67.6-14.3-178-14.929.8000112.5H71H71-P73 WeakPolarHBondContact O-CD 3.49Å
74A57.5Low57.5Low96 Ų9695.7 Ų95.779%0.79355%0.551SS**THydrogen-bonded Turntrans-113.81.9-172.500000114D72D72-A74 PolarHBondContact O-N 3.04Å; D72-A74 PolarHBondContact OD1-N 3.21Å
75G54.8Low59.5Low32 Ų32100.7 Ų100.733%0.3356%0.561SS.*SBendtrans-133.6149.7-177.600000111.5A77G75-A77 PolarHBondContact O-N 3.46Å
76V53.8Low61.6Low111 Ų11198.2 Ų98.267%0.67354%0.544SS*.  trans-55.2105.6168.6-177.90000107.2H78V76-H78 PolarHBondContact O-CD2 3.33Å; V76-H78 PolarHBondContact O-N 2.86Å
77A52.8Low63.7Low35 Ų35100.4 Ų100.429%0.28954%0.538SS..  trans-70.999.7175.400000107.1G75G75-A77 PolarHBondContact O-N 3.46Å
78H62.1Low66Low132 Ų13296.6 Ų96.661%0.61152%0.515SS*.  trans-76.4146.6168.3-59.4-66.4000109.5V76 A80V76-H78 PolarHBondContact O-CD2 3.33Å; V76-H78 PolarHBondContact O-N 2.86Å; H78-A80 PolarHBondContact O-N 3.3Å
79N70.8Confident68.1Low155 Ų15596.6 Ų96.683%0.82951%0.514SS*.SBendtrans-70.46.7-175.1-59-11.5000114.5
80A71.6Confident70.2Confident65 Ų6599.9 Ų99.954%0.53754%0.536SS..SBendtrans-81.6136.2-177.300000111.7H78 R82H78-A80 PolarHBondContact O-N 3.3Å; A80-R82 PolarHBondContact O-N 3.38Å; A80-R82 VanDerWaalsContact O-N 3.16Å
81V73.1Confident72.4Confident30 Ų3092.4 Ų92.418%0.18251%0.508CS..  trans-62118.5168.7-179.60000109.3F69 D83 H86 V148F69-V81 HydrophobicContact CE1-CB 4.43Å; F69-V81 HydrophobicContact CE1-CG2 3.7Å; F69-V81 HydrophobicContact CE2-CG2 4.45Å; F69-V81 HydrophobicContact CZ-CG2 3.42Å; F69-V81 VanDerWaalsContact CZ-CG2 3.42Å; V81-D83 HydrophobicContact CG1-CB 4.18Å; V81-H86 HydrophobicContact CB-CB 4.47Å; V81-H86 HydrophobicContact CG1-CB 3.51Å; V81-V148 HydrophobicContact CG2-CB 4.28Å; V81-V148 HydrophobicContact CG2-CG1 3.4Å
82R73.3Confident74.7Confident136 Ų13688 Ų8851%0.51349%0.487SS..  trans-79.4-30.3-176.5-65.7-175.4174.8-169.9-2.7112.5A80 S84A80-R82 PolarHBondContact O-N 3.38Å; A80-R82 VanDerWaalsContact O-N 3.16Å; R82-S84 PolarHBondContact O-N 2.6Å
83D74.9Confident76.9Confident76 Ų7685.5 Ų85.541%0.40647%0.474SS..  trans-69.1118.7-176.1-82.4-3.8000112.3V81 W85 H86V81-D83 HydrophobicContact CG1-CB 4.18Å; D83-W85 HydrophobicContact CB-CG 4.43Å; D83-W85 VanDerWaalsContact CB-NE1 3.35Å; D83-W85 PolarHBondContact O-N 3.32Å; D83-W85 PolarHBondContact OD2-NE1 2.98Å; D83-H86 WeakPolarHBondContact CB-ND1 3.37Å; D83-H86 PolarHBondContact O-N 3.09Å; D83-H86 VanDerWaalsContact O-N 3.14Å; D83-H86 IonicContact OD2-ND1 3.94Å
84S82.4Confident79Confident90 Ų9079.4 Ų79.463%0.62944%0.435SS*.G310 helixtrans-62.1-28.7-177.357.40000113.4R82 H86 R87R82-S84 PolarHBondContact O-N 2.6Å; S84-H86 PolarHBondContact O-N 2.77Å; S84-R87 VanDerWaalsContact O-CB 3.27Å; S84-R87 WeakPolarHBondContact O-CB 3.26Å; S84-R87 PolarHBondContact O-N 3.1Å
85W82.2Confident81Confident148 Ų14875 Ų7556%0.56140%0.397SS*.G310 helixtrans-68.9-21.3179.563.5-88.7000113.1D83 R87 R150D83-W85 HydrophobicContact CB-CG 4.43Å; D83-W85 VanDerWaalsContact CB-NE1 3.35Å; D83-W85 PolarHBondContact O-N 3.32Å; D83-W85 PolarHBondContact OD2-NE1 2.98Å; W85-R87 VanDerWaalsContact C-N 3.25Å; W85-R87 PolarHBondContact O-N 2.86Å; W85-R150 PolarHBondContact O-NH2 3.47Å
86H86.1Confident83.1Confident30 Ų3073.8 Ų73.814%0.13938%0.383CS..G310 helixtrans-82.1-0.3169.9-69.8100.3000113.1V81 D83 S84 G149 R150V81-H86 HydrophobicContact CB-CB 4.47Å; V81-H86 HydrophobicContact CG1-CB 3.51Å; D83-H86 WeakPolarHBondContact CB-ND1 3.37Å; D83-H86 PolarHBondContact O-N 3.09Å; D83-H86 VanDerWaalsContact O-N 3.14Å; D83-H86 IonicContact OD2-ND1 3.94Å; S84-H86 PolarHBondContact O-N 2.77Å; H86-G149 CarbonylContact O-C 3.49Å; H86-G149 VanDerWaalsContact O-CA 3.27Å; H86-G149 WeakPolarHBondContact O-CA 3.37Å; H86-R150 PolarHBondContact O-N 3.46Å
87R91Very high85.2Confident152 Ų15268.5 Ų68.557%0.57435%0.351SS*.SBendtrans-85.5149175.5-57.9-179.3-1761791109.9S84 W85 R150S84-R87 VanDerWaalsContact O-CB 3.27Å; S84-R87 WeakPolarHBondContact O-CB 3.26Å; S84-R87 PolarHBondContact O-N 3.1Å; W85-R87 VanDerWaalsContact C-N 3.25Å; W85-R87 PolarHBondContact O-N 2.86Å; R87-R150 PolarHBondContact O-NE 3.48Å
88W94.7Very high87.3Confident50 Ų5066.8 Ų66.819%0.18934%0.337CS..PPolyproline II helixtrans-67.4131.8168.2-72.2100.8000109.7A91 E92 V93 D134 I136 R150W88-A91 PolarHBondContact O-N 2.95Å; W88-E92 WeakPolarHBondContact CB-O 3.38Å; W88-V93 HydrophobicContact CB-CG2 4.17Å; W88-V93 HydrophobicContact CD2-CB 4.36Å; W88-V93 HydrophobicContact CD2-CG1 4.14Å; W88-V93 HydrophobicContact CD2-CG2 4.04Å; W88-V93 HydrophobicContact CE3-CG1 4.5Å; W88-V93 HydrophobicContact CG-CG2 3.72Å; W88-V93 HydrophobicContact CH2-CG1 4.49Å; W88-V93 HydrophobicContact CZ2-CG1 4.11Å; W88-D134 HydrophobicContact CZ3-CB 4.26Å; W88-I136 HydrophobicContact CH2-CG2 3.94Å; W88-I136 HydrophobicContact CZ2-CG2 3.57Å; W88-R150 HydrophobicContact CD2-CB 3.92Å; W88-R150 HydrophobicContact CD2-CG 4.13Å; W88-R150 HydrophobicContact CE3-CB 4.29Å; W88-R150 HydrophobicContact CE3-CG 3.98Å; W88-R150 HydrophobicContact CG-CB 4.24Å; W88-R150 HydrophobicContact CH2-CG 4.13Å; W88-R150 HydrophobicContact CZ2-CB 4.22Å; W88-R150 HydrophobicContact CZ2-CG 4.29Å; W88-R150 HydrophobicContact CZ3-CG 3.97Å
89V93.7Very high89Confident89 Ų8960.7 Ų60.754%0.53931%0.309SS..G310 helixtrans-64.9136.2-178.4-179.30000108.5A91 E92V89-A91 PolarHBondContact O-N 3.39Å; V89-E92 PolarHBondContact O-N 2.87Å
90D94.5Very high90.2Very high141 Ų14156.4 Ų56.475%0.75428%0.282SS*.G310 helixtrans54.623.4179.6-56-35.4000115.3E92D90-E92 PolarHBondContact O-N 3.4Å; D90-E92 VanDerWaalsContact O-N 3.12Å
91A96.1Very high91.4Very high24 Ų2453.4 Ų53.420%0.19826%0.256CS..G310 helixtrans57.817.4-17300000113.9W88 V89 I122 R123W88-A91 PolarHBondContact O-N 2.95Å; V89-A91 PolarHBondContact O-N 3.39Å; A91-I122 HydrophobicContact CB-CD1 3.88Å; A91-I122 WeakPolarHBondContact O-CA 3.09Å; A91-R123 PolarHBondContact O-N 3.17Å
92E97.7Very high92.3Very high61 Ų6152 Ų5229%0.28525%0.248SC..EExtended strand (participates in β ladder)trans-92.1128.1175.1-68.2-168.1165.200110.5W88 V89 D90 P94 R123 V125 K131 H132W88-E92 WeakPolarHBondContact CB-O 3.38Å; V89-E92 PolarHBondContact O-N 2.87Å; D90-E92 PolarHBondContact O-N 3.4Å; D90-E92 VanDerWaalsContact O-N 3.12Å; E92-P94 VanDerWaalsContact O-CD 3.28Å; E92-P94 WeakPolarHBondContact O-CD 3.26Å; E92-R123 CarbonylContact C-O 3.57Å; E92-R123 WeakPolarHBondContact CA-O 3.44Å; E92-V125 HydrophobicContact CB-CG2 4.36Å; E92-K131 IonicContact OE1-NZ 2.83Å; E92-K131 IonicContact OE2-NZ 3.98Å; E92-K131 PolarHBondContact OE2-NZ 2.69Å; E92-H132 IonicContact OE2-NE2 3.73Å
93V98.2Very high93.2Very high8 Ų852.9 Ų52.95%0.04825%0.251CS..EExtended strand (participates in β ladder)trans-111.194173.3-173.30000108.6W88 Y95 I122 R123 F124 V125 I136W88-V93 HydrophobicContact CB-CG2 4.17Å; W88-V93 HydrophobicContact CD2-CB 4.36Å; W88-V93 HydrophobicContact CD2-CG1 4.14Å; W88-V93 HydrophobicContact CD2-CG2 4.04Å; W88-V93 HydrophobicContact CE3-CG1 4.5Å; W88-V93 HydrophobicContact CG-CG2 3.72Å; W88-V93 HydrophobicContact CH2-CG1 4.49Å; W88-V93 HydrophobicContact CZ2-CG1 4.11Å; V93-Y95 PolarHBondContact O-N 3.15Å; V93-I122 HydrophobicContact CG2-CG2 3.86Å; V93-R123 PolarHBondContact N-O 3.36Å; V93-F124 HydrophobicContact CB-CD1 3.78Å; V93-F124 HydrophobicContact CB-CE1 3.95Å; V93-F124 HydrophobicContact CB-CG 4.5Å; V93-F124 HydrophobicContact CG1-CD1 3.88Å; V93-F124 HydrophobicContact CG1-CE1 3.8Å; V93-F124 HydrophobicContact CG2-CE1 4.36Å; V93-F124 WeakPolarHBondContact O-CA 3.32Å; V93-V125 PolarHBondContact O-N 2.91Å; V93-I136 HydrophobicContact CG1-CD1 3.86Å; V93-I136 HydrophobicContact CG1-CG1 4.1Å; V93-I136 HydrophobicContact CG1-CG2 4.24Å
94P98.4Very high93.9Very high7 Ų750.2 Ų50.25%0.04524%0.235CC..EExtended strand (participates in β ladder)trans-62.1133172.2-2536.4000111E92 V125 R127 H132 Y135 I136E92-P94 VanDerWaalsContact O-CD 3.28Å; E92-P94 WeakPolarHBondContact O-CD 3.26Å; P94-V125 CarbonylContact C-O 3.55Å; P94-V125 VanDerWaalsContact CA-O 3.26Å; P94-V125 WeakPolarHBondContact CA-O 3.27Å; P94-V125 HydrophobicContact CB-CG2 4.37Å; P94-V125 HydrophobicContact CG-CG2 4.17Å; P94-R127 HydrophobicContact CB-CB 4.48Å; P94-H132 HydrophobicContact CB-CB 3.6Å; P94-H132 VanDerWaalsContact CB-CG 3.5Å; P94-H132 HydrophobicContact CG-CB 3.67Å; P94-H132 WeakPolarHBondContact CG-CD2 3.26Å; P94-Y135 CarbonylContact O-C 3.55Å; P94-Y135 VanDerWaalsContact O-CA 3.26Å; P94-Y135 WeakPolarHBondContact O-CA 3.29Å; P94-Y135 VanDerWaalsContact O-CB 3.32Å; P94-Y135 WeakPolarHBondContact O-CB 3.03Å; P94-I136 PolarHBondContact O-N 3.14Å
95Y98.6Very high94.4Very high2 Ų245.9 Ų45.91%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-132.6158.7-179.373.8-92.8000112.8N19 L20 V93 L97 M113 F124 V125 P126 R127 I136N19-Y95 HydrophobicContact CB-CE2 4.39Å; N19-Y95 PolarHBondContact OD1-O 3.1Å; N19-Y95 VanDerWaalsContact OD1-O 3.1Å; L20-Y95 HydrophobicContact CG-CE2 4.32Å; V93-Y95 PolarHBondContact O-N 3.15Å; Y95-L97 HydrophobicContact CD2-CD1 3.36Å; Y95-L97 HydrophobicContact CE2-CD1 3.22Å; Y95-M113 HydrophobicContact CD1-CE 4.02Å; Y95-M113 HydrophobicContact CD1-SD 4.3Å; Y95-M113 HydrophobicContact CD2-CE 4.14Å; Y95-M113 HydrophobicContact CE1-CE 4.25Å; Y95-M113 HydrophobicContact CE1-SD 3.99Å; Y95-M113 HydrophobicContact CE2-CE 4.4Å; Y95-M113 HydrophobicContact CG-CE 3.95Å; Y95-F124 HydrophobicContact CD1-CB 3.87Å; Y95-F124 HydrophobicContact CE1-CB 3.96Å; Y95-V125 VanDerWaalsContact CD1-C 3.49Å; Y95-V125 WeakPolarHBondContact CD1-O 3.35Å; Y95-V125 VanDerWaalsContact CE1-C 3.4Å; Y95-V125 PolarHBondContact N-O 3.02Å; Y95-P126 HydrophobicContact CE1-CG 4.49Å; Y95-R127 WeakPolarHBondContact O-CB 3.34Å; Y95-R127 PolarHBondContact O-N 2.98Å; Y95-I136 CarbonylContact C-O 3.12Å; Y95-I136 WeakPolarHBondContact CA-O 3.49Å
96I98.3Very high95Very high7 Ų740.1 Ų40.14%0.03618%0.183CC..EExtended strand (participates in β ladder)trans-136.6146.7164.4-65.8-172.9000107.1E17 R127 Y135 I136 Y137 I138E17-I96 HydrophobicContact CB-CG2 3.51Å; E17-I96 HydrophobicContact CG-CG2 3.76Å; E17-I96 WeakPolarHBondContact OE2-CD1 3.21Å; I96-R127 HydrophobicContact CD1-CB 3.91Å; I96-R127 HydrophobicContact CD1-CG 4.03Å; I96-R127 HydrophobicContact CG1-CB 3.56Å; I96-R127 HydrophobicContact CG1-CG 4.23Å; I96-Y135 HydrophobicContact CB-CE2 4.45Å; I96-Y135 HydrophobicContact CD1-CD2 4.29Å; I96-Y135 HydrophobicContact CD1-CE2 3.86Å; I96-Y135 HydrophobicContact CG1-CD2 4.2Å; I96-Y135 HydrophobicContact CG1-CE2 4.19Å; I96-I136 PolarHBondContact N-O 3.34Å; I96-Y137 HydrophobicContact CB-CD2 3.9Å; I96-Y137 HydrophobicContact CB-CE2 4.47Å; I96-Y137 HydrophobicContact CG2-CD2 3.61Å; I96-Y137 HydrophobicContact CG2-CE2 3.69Å; I96-Y137 WeakPolarHBondContact O-CA 2.97Å; I96-I138 PolarHBondContact O-N 3.49Å
97L98.2Very high95.3Very high0 Ų040.3 Ų40.30%018%0.184CC..EExtended strand (participates in β ladder)trans-108.1148.3173.9-72.290.1000111.4T18 L20 Y95 Y101 I109 I138T18-L97 HydrophobicContact CG2-CB 4.12Å; T18-L97 WeakPolarHBondContact CG2-O 3.37Å; T18-L97 PolarHBondContact N-O 3.38Å; T18-L97 PolarHBondContact O-N 2.75Å; L20-L97 HydrophobicContact CD2-CD1 4.37Å; L20-L97 HydrophobicContact CD2-CD2 3.82Å; L20-L97 HydrophobicContact CG-CD1 3.89Å; L20-L97 HydrophobicContact CG-CD2 4.19Å; Y95-L97 HydrophobicContact CD2-CD1 3.36Å; Y95-L97 HydrophobicContact CE2-CD1 3.22Å; L97-Y101 HydrophobicContact CB-CD2 4.27Å; L97-Y101 HydrophobicContact CD2-CD2 3.98Å; L97-Y101 HydrophobicContact CG-CD2 4.49Å; L97-I109 HydrophobicContact CD2-CD1 3.81Å; L97-I109 HydrophobicContact CD2-CG2 4.36Å; L97-I138 HydrophobicContact CG-CB 4.44Å; L97-I138 HydrophobicContact CG-CD1 4.45Å
98S97.9Very high95.4Very high0 Ų033.4 Ų33.40%016%0.159CC..EExtended strand (participates in β ladder)trans-63.4136.7159.8-178.90000111.7E15 R100 Y101 Y137 I138E15-S98 WeakPolarHBondContact CG-OG 3.34Å; E15-S98 WeakPolarHBondContact OE1-CB 3.19Å; E15-S98 PolarHBondContact OE1-OG 3.2Å; S98-R100 PolarHBondContact O-N 3.01Å; S98-R100 VanDerWaalsContact O-N 3.15Å; S98-R100 WeakPolarHBondContact OG-CB 3.42Å; S98-R100 PolarHBondContact OG-N 2.97Å; S98-Y101 WeakPolarHBondContact O-CD2 3.27Å; S98-Y101 PolarHBondContact O-N 3.25Å; S98-Y137 WeakPolarHBondContact CA-OH 3.24Å; S98-I138 PolarHBondContact N-O 3.32Å
99S97Very high95.4Very high3 Ų331.5 Ų31.52%0.02115%0.152CC..THydrogen-bonded Turntrans-66.4-8.7171.567.20000114Y16 Y101Y16-S99 VanDerWaalsContact CD1-CB 3.45Å; Y16-S99 WeakPolarHBondContact CD1-OG 3.46Å; Y16-S99 WeakPolarHBondContact CE1-OG 3.26Å; Y16-S99 PolarHBondContact N-OG 3.2Å; Y16-S99 VanDerWaalsContact O-CB 3.24Å; Y16-S99 WeakPolarHBondContact O-CB 3.45Å; Y16-S99 PolarHBondContact O-N 3.09Å; Y16-S99 PolarHBondContact O-OG 3.28Å; S99-Y101 PolarHBondContact O-N 3.15Å
100R96.4Very high95.5Very high66 Ų6627.3 Ų27.325%0.24913%0.127CC..THydrogen-bonded Turntrans-68.3-19.2173.5-66.8174.460.6-154.1-8.8112.5I9 R10 E15 S98 G102 P140I9-R100 CarbonylContact C-O 3.55Å; I9-R100 WeakPolarHBondContact CA-O 3.37Å; I9-R100 HydrophobicContact CG2-CB 4.3Å; R10-R100 WeakPolarHBondContact CB-O 3.45Å; R10-R100 PolarHBondContact N-O 2.98Å; E15-R100 HydrophobicContact CB-CG 4.42Å; E15-R100 HydrophobicContact CG-CG 4.33Å; E15-R100 VanDerWaalsContact OE2-CD 3.23Å; E15-R100 WeakPolarHBondContact OE2-CD 3.37Å; S98-R100 PolarHBondContact O-N 3.01Å; S98-R100 VanDerWaalsContact O-N 3.15Å; S98-R100 WeakPolarHBondContact OG-CB 3.42Å; S98-R100 PolarHBondContact OG-N 2.97Å; R100-G102 PolarHBondContact O-N 2.88Å; R100-P140 HydrophobicContact CB-CG 3.62Å; R100-P140 PolarHBondContact NH1-O 3.05Å; R100-P140 PolarHBondContact NH2-O 3.26Å
101Y96.2Very high95.4Very high1 Ų123.1 Ų23.10%0.00410%0.1CC..BIsolated β-bridgetrans-68.5119.5174.5-69.2-58.4000111.9I9 L97 S98 S99 I109 I138 E139 P140 L159 M164I9-Y101 HydrophobicContact CD1-CD1 3.46Å; I9-Y101 VanDerWaalsContact CD1-CD1 3.46Å; I9-Y101 HydrophobicContact CD1-CE1 3.5Å; I9-Y101 VanDerWaalsContact CD1-CE1 3.5Å; L97-Y101 HydrophobicContact CB-CD2 4.27Å; L97-Y101 HydrophobicContact CD2-CD2 3.98Å; L97-Y101 HydrophobicContact CG-CD2 4.49Å; S98-Y101 WeakPolarHBondContact O-CD2 3.27Å; S98-Y101 PolarHBondContact O-N 3.25Å; S99-Y101 PolarHBondContact O-N 3.15Å; Y101-I109 HydrophobicContact CD1-CD1 4.24Å; Y101-I109 HydrophobicContact CD2-CD1 4Å; Y101-I109 HydrophobicContact CE1-CD1 4.28Å; Y101-I109 HydrophobicContact CE2-CD1 3.99Å; Y101-I109 HydrophobicContact CG-CD1 4.11Å; Y101-I138 HydrophobicContact CE2-CB 4.32Å; Y101-I138 HydrophobicContact CE2-CG2 3.72Å; Y101-I138 WeakPolarHBondContact CE2-O 3.38Å; Y101-E139 WeakPolarHBondContact OH-CA 3.26Å; Y101-E139 PolarHBondContact OH-N 2.75Å; Y101-E139 PolarHBondContact OH-O 3.01Å; Y101-E139 VanDerWaalsContact OH-O 3.04Å; Y101-P140 HydrophobicContact CE1-CB 3.85Å; Y101-P140 HydrophobicContact CE1-CG 4.12Å; Y101-L159 VanDerWaalsContact CE1-O 3.27Å; Y101-L159 WeakPolarHBondContact CE1-O 3.45Å; Y101-L159 WeakPolarHBondContact OH-CB 3.39Å; Y101-L159 PolarHBondContact OH-O 3.01Å; Y101-M164 HydrophobicContact CD1-CE 3.72Å; Y101-M164 HydrophobicContact CE1-CE 3.2Å
102G93.2Very high95.3Very high0 Ų023.7 Ų23.70%011%0.105CC..  trans-72.1172.1171.100000111.7K7 I8 R100 Y104 S105 R106K7-G102 CarbonylContact O-C 3.6Å; K7-G102 WeakPolarHBondContact O-CA 3.4Å; I8-G102 WeakPolarHBondContact O-CA 3.46Å; I8-G102 PolarHBondContact O-N 3.18Å; R100-G102 PolarHBondContact O-N 2.88Å; G102-Y104 PolarHBondContact O-N 2.94Å; G102-Y104 VanDerWaalsContact O-N 3.16Å; G102-S105 PolarHBondContact O-N 3.12Å; G102-R106 WeakPolarHBondContact O-CG 3.42Å; G102-R106 PolarHBondContact O-N 3.04Å
103R90.6Very high95.3Very high155 Ų15521.1 Ų21.159%0.5859%0.093SC*.Hα-helixtrans-59.1-31.5-174.1-173.8176.5-179.3-164.7-0.5112.8K7 D27 K107K7-R103 PolarHBondContact O-N 2.01Å; D27-R103 IonicContact OD2-CZ 3.69Å; D27-R103 IonicContact OD2-NE 3.82Å; D27-R103 IonicContact OD2-NH2 2.75Å; D27-R103 PolarHBondContact OD2-NH2 2.89Å; R103-K107 VanDerWaalsContact O-CG 3.31Å; R103-K107 WeakPolarHBondContact O-CG 3.27Å; R103-K107 PolarHBondContact O-N 2.83Å
104Y90Very high95Very high20 Ų2022 Ų228%0.07810%0.097CC..Hα-helixtrans-69.6-52.8177.7177.5-98.6000110.8K7 I8 M31 V34 L36 L39 G102 R106 K107 V108 M164K7-Y104 VanDerWaalsContact O-CB 3.28Å; K7-Y104 WeakPolarHBondContact O-CB 3.35Å; K7-Y104 PolarHBondContact O-N 3.41Å; I8-Y104 HydrophobicContact CG1-CD1 4.18Å; M31-Y104 HydrophobicContact CE-CD2 4.4Å; M31-Y104 HydrophobicContact CE-CE2 4.37Å; M31-Y104 HydrophobicContact CG-CE2 4.3Å; M31-Y104 HydrophobicContact SD-CD2 4.14Å; M31-Y104 HydrophobicContact SD-CE2 3.57Å; M31-Y104 VanDerWaalsContact SD-CE2 3.57Å; V34-Y104 HydrophobicContact CB-CE2 3.82Å; V34-Y104 HydrophobicContact CG1-CE2 4.35Å; V34-Y104 HydrophobicContact CG2-CE2 3.9Å; L36-Y104 HydrophobicContact CD2-CE1 3.78Å; L39-Y104 HydrophobicContact CD1-CD1 3.57Å; L39-Y104 HydrophobicContact CD1-CD2 3.87Å; L39-Y104 HydrophobicContact CD1-CE1 3.6Å; L39-Y104 HydrophobicContact CD1-CE2 3.91Å; L39-Y104 HydrophobicContact CD1-CG 3.7Å; G102-Y104 PolarHBondContact O-N 2.94Å; G102-Y104 VanDerWaalsContact O-N 3.16Å; Y104-R106 VanDerWaalsContact C-N 3.34Å; Y104-R106 PolarHBondContact O-N 2.88Å; Y104-K107 PolarHBondContact O-N 3.43Å; Y104-K107 VanDerWaalsContact O-N 3.17Å; Y104-V108 HydrophobicContact CD1-CG2 4.14Å; Y104-V108 HydrophobicContact CE1-CG2 3.71Å; Y104-V108 HydrophobicContact CE2-CG2 4.3Å; Y104-V108 PolarHBondContact O-N 2.99Å; Y104-M164 HydrophobicContact CE1-CB 4.23Å; Y104-M164 WeakPolarHBondContact CE1-O 3.27Å; Y104-M164 PolarHBondContact OH-O 3.02Å
105S93.3Very high94.8Very high0 Ų024.9 Ų24.90%011%0.11CC..Hα-helixtrans-59.6-41.2179.9-68.20000113.3I8 G102 K107 V108 I109 M164I8-S105 WeakPolarHBondContact CA-OG 3.44Å; I8-S105 VanDerWaalsContact CG2-OG 3.27Å; I8-S105 WeakPolarHBondContact CG2-OG 3.43Å; I8-S105 WeakPolarHBondContact O-CB 3.45Å; I8-S105 PolarHBondContact O-OG 2.97Å; G102-S105 PolarHBondContact O-N 3.12Å; S105-K107 VanDerWaalsContact C-N 3.32Å; S105-K107 PolarHBondContact O-N 2.97Å; S105-V108 PolarHBondContact O-N 2.87Å; S105-V108 VanDerWaalsContact O-N 3.15Å; S105-I109 VanDerWaalsContact O-CG1 3.3Å; S105-I109 WeakPolarHBondContact O-CG1 3.41Å; S105-I109 PolarHBondContact O-N 3.18Å; S105-M164 WeakPolarHBondContact CB-SD 3.19Å; S105-M164 VanDerWaalsContact OG-CG 3.3Å; S105-M164 WeakPolarHBondContact OG-CG 3.3Å; S105-M164 PolarHBondContact OG-SD 2.79Å
106R94.9Very high94.6Very high26 Ų2629.6 Ų29.610%0.09813%0.131CC..Hα-helixtrans-58-44.4176.4-69.317762.191.3-11.1112.3N19 L20 D21 D24 G102 Y104 I109 A110N19-R106 PolarHBondContact O-NH1 3.3Å; N19-R106 PolarHBondContact O-NH2 2.88Å; L20-R106 HydrophobicContact CD2-CB 3.87Å; L20-R106 HydrophobicContact CD2-CG 4.34Å; L20-R106 WeakPolarHBondContact CD2-O 3.36Å; D21-R106 IonicContact OD2-NH2 3.97Å; D24-R106 VanDerWaalsContact OD1-CB 3.29Å; D24-R106 WeakPolarHBondContact OD1-CB 3.4Å; D24-R106 IonicContact OD1-CZ 3.94Å; D24-R106 IonicContact OD1-NE 3.09Å; D24-R106 PolarHBondContact OD1-NE 2.93Å; D24-R106 VanDerWaalsContact OD1-NE 3.09Å; D24-R106 IonicContact OD1-NH2 3.97Å; D24-R106 IonicContact OD2-CZ 3.18Å; D24-R106 IonicContact OD2-NE 3.13Å; D24-R106 PolarHBondContact OD2-NE 3.46Å; D24-R106 VanDerWaalsContact OD2-NE 3.13Å; D24-R106 IonicContact OD2-NH2 2.62Å; D24-R106 PolarHBondContact OD2-NH2 3.49Å; G102-R106 WeakPolarHBondContact O-CG 3.42Å; G102-R106 PolarHBondContact O-N 3.04Å; Y104-R106 VanDerWaalsContact C-N 3.34Å; Y104-R106 PolarHBondContact O-N 2.88Å; R106-I109 PolarHBondContact O-N 2.96Å; R106-A110 WeakPolarHBondContact O-CB 3.38Å; R106-A110 PolarHBondContact O-N 3.46Å
107K92.4Very high94.5Very high34 Ų3431.4 Ų31.415%0.14814%0.139CC..Hα-helixtrans-66.8-35.9175.9-68177.3-178.1-158.90112.8D27 M31 R103 Y104 S105 A110 R111D27-K107 HydrophobicContact CB-CD 3.93Å; D27-K107 HydrophobicContact CB-CG 4.3Å; D27-K107 VanDerWaalsContact CB-NZ 3.27Å; D27-K107 WeakPolarHBondContact OD2-CE 3.29Å; D27-K107 IonicContact OD2-NZ 2.75Å; D27-K107 PolarHBondContact OD2-NZ 3.26Å; M31-K107 HydrophobicContact CE-CB 3.08Å; M31-K107 HydrophobicContact CE-CD 4.13Å; M31-K107 HydrophobicContact CE-CG 4.25Å; R103-K107 VanDerWaalsContact O-CG 3.31Å; R103-K107 WeakPolarHBondContact O-CG 3.27Å; R103-K107 PolarHBondContact O-N 2.83Å; Y104-K107 PolarHBondContact O-N 3.43Å; Y104-K107 VanDerWaalsContact O-N 3.17Å; S105-K107 VanDerWaalsContact C-N 3.32Å; S105-K107 PolarHBondContact O-N 2.97Å; K107-A110 PolarHBondContact O-N 3.23Å; K107-R111 WeakPolarHBondContact O-CB 3.37Å; K107-R111 PolarHBondContact O-N 3.24Å
108V92.7Very high94.3Very high8 Ų836.3 Ų36.35%0.04816%0.16CC..Hα-helixtrans-63.8-47175.4171.60000109.9M31 Y104 S105 A110 R111 A112 M164M31-V108 HydrophobicContact CE-CG2 3.77Å; M31-V108 HydrophobicContact SD-CG2 3.79Å; Y104-V108 HydrophobicContact CD1-CG2 4.14Å; Y104-V108 HydrophobicContact CE1-CG2 3.71Å; Y104-V108 HydrophobicContact CE2-CG2 4.3Å; Y104-V108 PolarHBondContact O-N 2.99Å; S105-V108 PolarHBondContact O-N 2.87Å; S105-V108 VanDerWaalsContact O-N 3.15Å; V108-A110 PolarHBondContact O-N 3.4Å; V108-R111 PolarHBondContact O-N 3.41Å; V108-A112 PolarHBondContact O-N 2.85Å; V108-M164 HydrophobicContact CB-SD 4.46Å; V108-M164 HydrophobicContact CG1-SD 4.43Å
109I95.5Very high94.3Very high10 Ų1042 Ų425%0.05119%0.191CC..Hα-helixtrans-61.2-45.1176-64.1165.2000110.3L20 L97 Y101 S105 R106 R111 A112 M113 I138 L159 M164L20-I109 HydrophobicContact CD1-CG2 4.15Å; L97-I109 HydrophobicContact CD2-CD1 3.81Å; L97-I109 HydrophobicContact CD2-CG2 4.36Å; Y101-I109 HydrophobicContact CD1-CD1 4.24Å; Y101-I109 HydrophobicContact CD2-CD1 4Å; Y101-I109 HydrophobicContact CE1-CD1 4.28Å; Y101-I109 HydrophobicContact CE2-CD1 3.99Å; Y101-I109 HydrophobicContact CG-CD1 4.11Å; S105-I109 VanDerWaalsContact O-CG1 3.3Å; S105-I109 WeakPolarHBondContact O-CG1 3.41Å; S105-I109 PolarHBondContact O-N 3.18Å; R106-I109 PolarHBondContact O-N 2.96Å; I109-R111 PolarHBondContact O-N 3.27Å; I109-A112 PolarHBondContact O-N 3.09Å; I109-M113 HydrophobicContact CG2-CE 3.71Å; I109-M113 HydrophobicContact CG2-SD 4.25Å; I109-M113 WeakPolarHBondContact O-CG 3.38Å; I109-M113 PolarHBondContact O-N 3.06Å; I109-I138 HydrophobicContact CD1-CG2 4.16Å; I109-I138 HydrophobicContact CG2-CD1 4.27Å; I109-L159 HydrophobicContact CD1-CD1 4.42Å; I109-L159 HydrophobicContact CG1-CD1 4.17Å; I109-M164 HydrophobicContact CD1-CE 4.31Å
110A95.5Very high94.2Very high0 Ų044.5 Ų44.50%021%0.206CC..Hα-helixtrans-60.1-43.7176.900000112.2L20 D24 F25 R106 K107 V108 M113 D114L20-A110 HydrophobicContact CD1-CB 3.82Å; D24-A110 HydrophobicContact CB-CB 4.18Å; D24-A110 WeakPolarHBondContact O-CB 3.39Å; F25-A110 HydrophobicContact CD1-CB 4Å; F25-A110 HydrophobicContact CE1-CB 4.1Å; F25-A110 HydrophobicContact CG-CB 4.36Å; R106-A110 WeakPolarHBondContact O-CB 3.38Å; R106-A110 PolarHBondContact O-N 3.46Å; K107-A110 PolarHBondContact O-N 3.23Å; V108-A110 PolarHBondContact O-N 3.4Å; A110-M113 PolarHBondContact O-N 3.35Å; A110-D114 WeakPolarHBondContact O-CB 3.24Å; A110-D114 PolarHBondContact O-N 2.92Å
111R93Very high94.3Very high54 Ų5445.9 Ų45.920%0.20423%0.225CC..Hα-helixtrans-60-46.4175.1-174.2171167177.4-7.9111.4N28 K107 V108 I109 M113 D114 E115 P167N28-R111 HydrophobicContact CB-CB 4.08Å; K107-R111 WeakPolarHBondContact O-CB 3.37Å; K107-R111 PolarHBondContact O-N 3.24Å; V108-R111 PolarHBondContact O-N 3.41Å; I109-R111 PolarHBondContact O-N 3.27Å; R111-M113 PolarHBondContact O-N 3.43Å; R111-D114 PolarHBondContact O-N 3.41Å; R111-E115 WeakPolarHBondContact O-CG 3.43Å; R111-E115 PolarHBondContact O-N 2.84Å; R111-P167 HydrophobicContact CG-CG 4.37Å; R111-P167 PolarHBondContact NH2-O 3.49Å; R111-P167 VanDerWaalsContact NH2-O 3.11Å
112A94.1Very high94.4Very high36 Ų3648.2 Ų48.230%0.29824%0.237SC..Hα-helixtrans-60.9-44.1178.100000111.9V108 I109 E115 F116 P167V108-A112 PolarHBondContact O-N 2.85Å; I109-A112 PolarHBondContact O-N 3.09Å; A112-E115 PolarHBondContact O-N 3.36Å; A112-F116 WeakPolarHBondContact O-CD2 3.1Å; A112-F116 PolarHBondContact O-N 2.94Å; A112-P167 HydrophobicContact CB-CG 4.01Å
113M96.1Very high94.6Very high7 Ų753.1 Ų53.13%0.03426%0.256CS..Hα-helixtrans-63.8-40.6176.2-68.8-178.5175.800112.3L20 F25 Y95 I109 A110 R111 E115 F116 H117 F124 I138L20-M113 HydrophobicContact CD1-SD 3.75Å; F25-M113 HydrophobicContact CE1-CB 4.4Å; Y95-M113 HydrophobicContact CD1-CE 4.02Å; Y95-M113 HydrophobicContact CD1-SD 4.3Å; Y95-M113 HydrophobicContact CD2-CE 4.14Å; Y95-M113 HydrophobicContact CE1-CE 4.25Å; Y95-M113 HydrophobicContact CE1-SD 3.99Å; Y95-M113 HydrophobicContact CE2-CE 4.4Å; Y95-M113 HydrophobicContact CG-CE 3.95Å; I109-M113 HydrophobicContact CG2-CE 3.71Å; I109-M113 HydrophobicContact CG2-SD 4.25Å; I109-M113 WeakPolarHBondContact O-CG 3.38Å; I109-M113 PolarHBondContact O-N 3.06Å; A110-M113 PolarHBondContact O-N 3.35Å; R111-M113 PolarHBondContact O-N 3.43Å; M113-E115 VanDerWaalsContact C-N 3.34Å; M113-E115 PolarHBondContact O-N 3.29Å; M113-F116 WeakPolarHBondContact O-CB 3.13Å; M113-F116 PolarHBondContact O-N 3.49Å; M113-H117 PolarHBondContact O-CD2 2.75Å; M113-H117 PolarHBondContact O-N 3.3Å; M113-F124 HydrophobicContact CB-CB 4.28Å; M113-F124 HydrophobicContact CB-CD2 3.81Å; M113-F124 HydrophobicContact CB-CE2 4.47Å; M113-F124 HydrophobicContact CB-CG 4.19Å; M113-F124 HydrophobicContact CE-CB 4.24Å; M113-F124 HydrophobicContact CE-CD1 3.86Å; M113-F124 HydrophobicContact CE-CE1 4.46Å; M113-F124 HydrophobicContact CE-CG 4.1Å; M113-F124 HydrophobicContact CG-CB 3.97Å; M113-F124 HydrophobicContact CG-CD1 4.21Å; M113-F124 HydrophobicContact CG-CD2 3.63Å; M113-F124 HydrophobicContact CG-CE2 4.15Å; M113-F124 HydrophobicContact CG-CG 3.66Å; M113-F124 HydrophobicContact SD-CB 3.67Å; M113-F124 HydrophobicContact SD-CD1 4.29Å; M113-F124 HydrophobicContact SD-CD2 4.45Å; M113-F124 HydrophobicContact SD-CG 3.9Å; M113-I138 HydrophobicContact CE-CD1 3.53Å
114D93.7Very high94.9Very high26 Ų2647.4 Ų47.414%0.13924%0.235CC..Hα-helixtrans-65-36.1177.9-174.245.7000112.1F29 A110 R111 F116 H117 K118F29-D114 WeakPolarHBondContact CZ-OD2 3.47Å; A110-D114 WeakPolarHBondContact O-CB 3.24Å; A110-D114 PolarHBondContact O-N 2.92Å; R111-D114 PolarHBondContact O-N 3.41Å; D114-F116 VanDerWaalsContact C-N 3.33Å; D114-F116 PolarHBondContact O-N 3.24Å; D114-H117 WeakPolarHBondContact O-CB 3.43Å; D114-H117 PolarHBondContact O-N 3.11Å; D114-K118 WeakPolarHBondContact O-CG 3.29Å; D114-K118 PolarHBondContact O-N 3.06Å; D114-K118 WeakPolarHBondContact OD2-CE 3.31Å; D114-K118 IonicContact OD2-NZ 4Å; D114-K118 PolarHBondContact OD2-NZ 3.02Å
115E93.1Very high95.3Very high68 Ų6848 Ų4832%0.31824%0.24SC..Hα-helixtrans-61.7-38171.6-72.1-52.6121.900112.6R111 A112 M113 K118 N119R111-E115 WeakPolarHBondContact O-CG 3.43Å; R111-E115 PolarHBondContact O-N 2.84Å; A112-E115 PolarHBondContact O-N 3.36Å; M113-E115 VanDerWaalsContact C-N 3.34Å; M113-E115 PolarHBondContact O-N 3.29Å; E115-K118 IonicContact OE1-NZ 2.93Å; E115-K118 PolarHBondContact OE1-NZ 2.82Å; E115-N119 WeakPolarHBondContact O-CB 3.49Å; E115-N119 PolarHBondContact O-N 2.97Å; E115-N119 VanDerWaalsContact O-N 3.15Å; E115-N119 PolarHBondContact O-ND2 2.84Å; E115-N119 PolarHBondContact OE2-ND2 3.01Å
116F95.5Very high95.5Very high100 Ų10051 Ų5144%0.43926%0.26SS..Hα-helixtrans-64.9-40.2169.9-83.5-84.5000111.9A112 M113 D114 K118 N119 T120 I122 F124A112-F116 WeakPolarHBondContact O-CD2 3.1Å; A112-F116 PolarHBondContact O-N 2.94Å; M113-F116 WeakPolarHBondContact O-CB 3.13Å; M113-F116 PolarHBondContact O-N 3.49Å; D114-F116 VanDerWaalsContact C-N 3.33Å; D114-F116 PolarHBondContact O-N 3.24Å; F116-K118 VanDerWaalsContact C-N 3.34Å; F116-K118 PolarHBondContact O-N 2.98Å; F116-N119 PolarHBondContact O-N 2.63Å; F116-T120 HydrophobicContact CD1-CG2 4.16Å; F116-T120 WeakPolarHBondContact O-CA 3.3Å; F116-T120 WeakPolarHBondContact O-CB 3.4Å; F116-T120 PolarHBondContact O-N 3.37Å; F116-T120 PolarHBondContact O-OG1 3.09Å; F116-I122 HydrophobicContact CD1-CB 4.42Å; F116-F124 HydrophobicContact CB-CD2 4.37Å; F116-F124 HydrophobicContact CB-CE2 3.9Å; F116-F124 AromaticContact CD2-CE2 3.72Å; F116-F124 HydrophobicContact CD2-CE2 3.72Å; F116-F124 HydrophobicContact CD2-CZ 4.34Å; F116-F124 HydrophobicContact CE2-CE2 4.39Å; F116-F124 AromaticContact CG-CE2 3.82Å; F116-F124 HydrophobicContact CG-CE2 3.82Å
117H95.4Very high95.6Very high45 Ų4552.3 Ų52.321%0.20827%0.265CS..Hα-helixtrans-64.2-39.9-178.4-64.7178.4000112.1M113 D114 R123 F124M113-H117 PolarHBondContact O-CD2 2.75Å; M113-H117 PolarHBondContact O-N 3.3Å; D114-H117 WeakPolarHBondContact O-CB 3.43Å; D114-H117 PolarHBondContact O-N 3.11Å; H117-R123 PolarHBondContact O-NH1 3.49Å; H117-R123 VanDerWaalsContact O-NH1 3.15Å; H117-R123 PolarHBondContact O-NH2 3Å; H117-R123 VanDerWaalsContact O-NH2 3.12Å; H117-F124 AromaticContact NE2-CD2 3.98Å; H117-F124 PolarHBondContact NE2-N 3.47Å
118K94.3Very high95.8Very high103 Ų10356 Ų5645%0.44828%0.283SS..Hα-helixtrans-69.4-41.2177.7-70.9169.8-170153.80113.2D114 E115 F116D114-K118 WeakPolarHBondContact O-CG 3.29Å; D114-K118 PolarHBondContact O-N 3.06Å; D114-K118 WeakPolarHBondContact OD2-CE 3.31Å; D114-K118 IonicContact OD2-NZ 4Å; D114-K118 PolarHBondContact OD2-NZ 3.02Å; E115-K118 IonicContact OE1-NZ 2.93Å; E115-K118 PolarHBondContact OE1-NZ 2.82Å; F116-K118 VanDerWaalsContact C-N 3.34Å; F116-K118 PolarHBondContact O-N 2.98Å
119N96.5Very high95.9Very high119 Ų11965.5 Ų65.564%0.63632%0.318SS*.Hα-helixtrans-106.6-8-165.2-61.1-61.5000114.2E115 F116E115-N119 WeakPolarHBondContact O-CB 3.49Å; E115-N119 PolarHBondContact O-N 2.97Å; E115-N119 VanDerWaalsContact O-N 3.15Å; E115-N119 PolarHBondContact O-ND2 2.84Å; E115-N119 PolarHBondContact OE2-ND2 3.01Å; F116-N119 PolarHBondContact O-N 2.63Å
120T96.9Very high95.9Very high56 Ų5673.6 Ų73.634%0.34436%0.36SS..SBendtrans-141.3173.1-176.679.90000111.7F116 I122 R123F116-T120 HydrophobicContact CD1-CG2 4.16Å; F116-T120 WeakPolarHBondContact O-CA 3.3Å; F116-T120 WeakPolarHBondContact O-CB 3.4Å; F116-T120 PolarHBondContact O-N 3.37Å; F116-T120 PolarHBondContact O-OG1 3.09Å; T120-I122 VanDerWaalsContact C-N 3.33Å; T120-I122 WeakPolarHBondContact OG1-CB 3.1Å; T120-I122 PolarHBondContact OG1-N 3.17Å; T120-R123 PolarHBondContact O-NH1 3.38Å
121C97.1Very high96Very high96 Ų9679 Ų7965%0.64938%0.384SS*.SBendtrans-83-5.1168.461.60000113.9
122I97.7Very high96.2Very high50 Ų5077 Ų7726%0.25638%0.377SS..  trans-68.4134.6-179.6-56.6-58.2000109.8A91 V93 F116 T120 F124A91-I122 HydrophobicContact CB-CD1 3.88Å; A91-I122 WeakPolarHBondContact O-CA 3.09Å; V93-I122 HydrophobicContact CG2-CG2 3.86Å; F116-I122 HydrophobicContact CD1-CB 4.42Å; T120-I122 VanDerWaalsContact C-N 3.33Å; T120-I122 WeakPolarHBondContact OG1-CB 3.1Å; T120-I122 PolarHBondContact OG1-N 3.17Å; I122-F124 HydrophobicContact CG2-CE2 4.37Å
123R97.7Very high96.3Very high103 Ų10385.6 Ų85.639%0.38940%0.402SS..EExtended strand (participates in β ladder)trans-126.6110.9179.7-63.1-64.1175.9-101.711.4110.6A91 E92 V93 H117 T120 V125A91-R123 PolarHBondContact O-N 3.17Å; E92-R123 CarbonylContact C-O 3.57Å; E92-R123 WeakPolarHBondContact CA-O 3.44Å; V93-R123 PolarHBondContact N-O 3.36Å; H117-R123 PolarHBondContact O-NH1 3.49Å; H117-R123 VanDerWaalsContact O-NH1 3.15Å; H117-R123 PolarHBondContact O-NH2 3Å; H117-R123 VanDerWaalsContact O-NH2 3.12Å; T120-R123 PolarHBondContact O-NH1 3.38Å; R123-V125 HydrophobicContact CB-CG1 4.4Å
124F98.1Very high96.3Very high35 Ų3586.9 Ų86.915%0.15441%0.409CS..EExtended strand (participates in β ladder)trans-73.4122.2166.4-67.3-84.6000109.9V93 Y95 M113 F116 H117 I122 I136V93-F124 HydrophobicContact CB-CD1 3.78Å; V93-F124 HydrophobicContact CB-CE1 3.95Å; V93-F124 HydrophobicContact CB-CG 4.5Å; V93-F124 HydrophobicContact CG1-CD1 3.88Å; V93-F124 HydrophobicContact CG1-CE1 3.8Å; V93-F124 HydrophobicContact CG2-CE1 4.36Å; V93-F124 WeakPolarHBondContact O-CA 3.32Å; Y95-F124 HydrophobicContact CD1-CB 3.87Å; Y95-F124 HydrophobicContact CE1-CB 3.96Å; M113-F124 HydrophobicContact CB-CB 4.28Å; M113-F124 HydrophobicContact CB-CD2 3.81Å; M113-F124 HydrophobicContact CB-CE2 4.47Å; M113-F124 HydrophobicContact CB-CG 4.19Å; M113-F124 HydrophobicContact CE-CB 4.24Å; M113-F124 HydrophobicContact CE-CD1 3.86Å; M113-F124 HydrophobicContact CE-CE1 4.46Å; M113-F124 HydrophobicContact CE-CG 4.1Å; M113-F124 HydrophobicContact CG-CB 3.97Å; M113-F124 HydrophobicContact CG-CD1 4.21Å; M113-F124 HydrophobicContact CG-CD2 3.63Å; M113-F124 HydrophobicContact CG-CE2 4.15Å; M113-F124 HydrophobicContact CG-CG 3.66Å; M113-F124 HydrophobicContact SD-CB 3.67Å; M113-F124 HydrophobicContact SD-CD1 4.29Å; M113-F124 HydrophobicContact SD-CD2 4.45Å; M113-F124 HydrophobicContact SD-CG 3.9Å; F116-F124 HydrophobicContact CB-CD2 4.37Å; F116-F124 HydrophobicContact CB-CE2 3.9Å; F116-F124 AromaticContact CD2-CE2 3.72Å; F116-F124 HydrophobicContact CD2-CE2 3.72Å; F116-F124 HydrophobicContact CD2-CZ 4.34Å; F116-F124 HydrophobicContact CE2-CE2 4.39Å; F116-F124 AromaticContact CG-CE2 3.82Å; F116-F124 HydrophobicContact CG-CE2 3.82Å; H117-F124 AromaticContact NE2-CD2 3.98Å; H117-F124 PolarHBondContact NE2-N 3.47Å; I122-F124 HydrophobicContact CG2-CE2 4.37Å; F124-I136 HydrophobicContact CD1-CD1 4.36Å; F124-I136 HydrophobicContact CE1-CD1 4.09Å
125V97.4Very high96.5Very high31 Ų3186.7 Ų86.719%0.18841%0.406CS..EExtended strand (participates in β ladder)trans-125.8139.6-176.7-62.70000110.8E92 V93 P94 Y95 R123 R127E92-V125 HydrophobicContact CB-CG2 4.36Å; V93-V125 PolarHBondContact O-N 2.91Å; P94-V125 CarbonylContact C-O 3.55Å; P94-V125 VanDerWaalsContact CA-O 3.26Å; P94-V125 WeakPolarHBondContact CA-O 3.27Å; P94-V125 HydrophobicContact CB-CG2 4.37Å; P94-V125 HydrophobicContact CG-CG2 4.17Å; Y95-V125 VanDerWaalsContact CD1-C 3.49Å; Y95-V125 WeakPolarHBondContact CD1-O 3.35Å; Y95-V125 VanDerWaalsContact CE1-C 3.4Å; Y95-V125 PolarHBondContact N-O 3.02Å; R123-V125 HydrophobicContact CB-CG1 4.4Å; V125-R127 PolarHBondContact O-N 3.36Å
126P97.7Very high96.8Very high65 Ų6584 Ų8442%0.42239%0.394SS..EExtended strand (participates in β ladder)trans-54.5136.9171.4-26.635.5000111.1N19 Y95 E128N19-P126 HydrophobicContact CB-CB 4.22Å; Y95-P126 HydrophobicContact CE1-CG 4.49Å; P126-E128 PolarHBondContact O-N 3.29Å
127R97.6Very high96.9Very high52 Ų5279.7 Ų79.720%0.19638%0.375CS..  trans-67.4120.8-179167.7159.3176.7-98.27.3112.3P94 Y95 I96 V125 H132 Y135P94-R127 HydrophobicContact CB-CB 4.48Å; Y95-R127 WeakPolarHBondContact O-CB 3.34Å; Y95-R127 PolarHBondContact O-N 2.98Å; I96-R127 HydrophobicContact CD1-CB 3.91Å; I96-R127 HydrophobicContact CD1-CG 4.03Å; I96-R127 HydrophobicContact CG1-CB 3.56Å; I96-R127 HydrophobicContact CG1-CG 4.23Å; V125-R127 PolarHBondContact O-N 3.36Å; R127-H132 HydrophobicContact CG-CB 4.15Å; R127-H132 PolarHBondContact NE-O 3.32Å; R127-H132 VanDerWaalsContact NE-O 3.09Å; R127-Y135 VanDerWaalsContact CD-CD2 3.41Å; R127-Y135 VanDerWaalsContact CZ-CE1 3.47Å; R127-Y135 VanDerWaalsContact NE-CD1 3.33Å; R127-Y135 VanDerWaalsContact NE-CE1 3.33Å
128E96.9Very high97Very high113 Ų11377.8 Ų77.853%0.52837%0.366SS..  trans-89.3115159.8-64.3177.4-100.400111.1P126 L130 K131 H132P126-E128 PolarHBondContact O-N 3.29Å; E128-L130 PolarHBondContact O-N 2.83Å; E128-L130 VanDerWaalsContact O-N 3.1Å; E128-K131 HydrophobicContact CB-CB 4.01Å; E128-K131 PolarHBondContact O-N 3.26Å; E128-K131 VanDerWaalsContact O-N 3.09Å; E128-H132 PolarHBondContact N-ND1 3.24Å; E128-H132 PolarHBondContact O-N 2.73Å; E128-H132 IonicContact OE1-CE1 3.94Å
129R95.2Very high97.2Very high207 Ų20773.7 Ų73.778%0.78135%0.349SS*.THydrogen-bonded Turntrans-56.1-31.5-173.4176.5176147.5-179.6-6.7114.8
130L95.6Very high97.1Very high179 Ų17968.3 Ų68.394%0.93732%0.32SS*.THydrogen-bonded Turntrans-84.6-27.4-179.4-63.3177.7000113.2E128E128-L130 PolarHBondContact O-N 2.83Å; E128-L130 VanDerWaalsContact O-N 3.1Å
131K96.1Very high96.9Very high115 Ų11569.7 Ų69.750%0.532%0.323SS..THydrogen-bonded Turntrans-92.6-41.7-178.1-175.1-173.7163.7-152.20111.7E92 E128E92-K131 IonicContact OE1-NZ 2.83Å; E92-K131 IonicContact OE2-NZ 3.98Å; E92-K131 PolarHBondContact OE2-NZ 2.69Å; E128-K131 HydrophobicContact CB-CB 4.01Å; E128-K131 PolarHBondContact O-N 3.26Å; E128-K131 VanDerWaalsContact O-N 3.09Å
132H97.1Very high96.6Very high12 Ų1270.9 Ų70.96%0.05632%0.319CS..  trans-105.893-169.9-52.9140.3000111.5E92 P94 R127 E128E92-H132 IonicContact OE2-NE2 3.73Å; P94-H132 HydrophobicContact CB-CB 3.6Å; P94-H132 VanDerWaalsContact CB-CG 3.5Å; P94-H132 HydrophobicContact CG-CB 3.67Å; P94-H132 WeakPolarHBondContact CG-CD2 3.26Å; R127-H132 HydrophobicContact CG-CB 4.15Å; R127-H132 PolarHBondContact NE-O 3.32Å; R127-H132 VanDerWaalsContact NE-O 3.09Å; E128-H132 PolarHBondContact N-ND1 3.24Å; E128-H132 PolarHBondContact O-N 2.73Å; E128-H132 IonicContact OE1-CE1 3.94Å
133R96Very high96.3Very high215 Ų21568.5 Ų68.581%0.81131%0.307SS*.SBendtrans-70.5-40.5170.3-179-178.4175-176.7-2111.7
134D97Very high96.1Very high35 Ų3564.2 Ų64.219%0.18729%0.292CS..SBendtrans-104.4131.4179.5-50.8-33.6000108.8W88 R150 G152 G153W88-D134 HydrophobicContact CZ3-CB 4.26Å; D134-R150 HydrophobicContact CB-CG 4.19Å; D134-R150 IonicContact OD2-CZ 2.69Å; D134-R150 IonicContact OD2-NH1 2.63Å; D134-R150 PolarHBondContact OD2-NH1 2.83Å; D134-G152 WeakPolarHBondContact OD1-CA 3.47Å; D134-G153 WeakPolarHBondContact CA-O 2.93Å; D134-G153 PolarHBondContact OD1-N 3.2Å
135Y98.1Very high95.9Very high21 Ų2164.2 Ų64.28%0.08229%0.291CS..EExtended strand (participates in β ladder)trans-162.9158.8-174.766.6-79.8000110.9P94 I96 R127 G153 R154 Q155P94-Y135 CarbonylContact O-C 3.55Å; P94-Y135 VanDerWaalsContact O-CA 3.26Å; P94-Y135 WeakPolarHBondContact O-CA 3.29Å; P94-Y135 VanDerWaalsContact O-CB 3.32Å; P94-Y135 WeakPolarHBondContact O-CB 3.03Å; I96-Y135 HydrophobicContact CB-CE2 4.45Å; I96-Y135 HydrophobicContact CD1-CD2 4.29Å; I96-Y135 HydrophobicContact CD1-CE2 3.86Å; I96-Y135 HydrophobicContact CG1-CD2 4.2Å; I96-Y135 HydrophobicContact CG1-CE2 4.19Å; R127-Y135 VanDerWaalsContact CD-CD2 3.41Å; R127-Y135 VanDerWaalsContact CZ-CE1 3.47Å; R127-Y135 VanDerWaalsContact NE-CD1 3.33Å; R127-Y135 VanDerWaalsContact NE-CE1 3.33Å; Y135-G153 PolarHBondContact N-O 3.42Å; Y135-G153 VanDerWaalsContact O-O 3.12Å; Y135-R154 HydrophobicContact CE1-CB 3.8Å; Y135-R154 HydrophobicContact CE1-CG 4.45Å; Y135-R154 HydrophobicContact CE2-CB 4.08Å; Y135-R154 HydrophobicContact CE2-CG 3.8Å; Y135-Q155 PolarHBondContact O-N 2.93Å
136I98.3Very high95.8Very high12 Ų1264.7 Ų64.76%0.06230%0.296CS..EExtended strand (participates in β ladder)trans-90.2140.6170.663.9174.9000111W88 V93 P94 Y95 I96 F124 I138 Q155 V157W88-I136 HydrophobicContact CH2-CG2 3.94Å; W88-I136 HydrophobicContact CZ2-CG2 3.57Å; V93-I136 HydrophobicContact CG1-CD1 3.86Å; V93-I136 HydrophobicContact CG1-CG1 4.1Å; V93-I136 HydrophobicContact CG1-CG2 4.24Å; P94-I136 PolarHBondContact O-N 3.14Å; Y95-I136 CarbonylContact C-O 3.12Å; Y95-I136 WeakPolarHBondContact CA-O 3.49Å; I96-I136 PolarHBondContact N-O 3.34Å; F124-I136 HydrophobicContact CD1-CD1 4.36Å; F124-I136 HydrophobicContact CE1-CD1 4.09Å; I136-I138 HydrophobicContact CD1-CD1 4Å; I136-I138 HydrophobicContact CD1-CG1 3.98Å; I136-I138 HydrophobicContact CG1-CG1 4.29Å; I136-Q155 CarbonylContact C-O 3.51Å; I136-Q155 VanDerWaalsContact CA-O 3.24Å; I136-Q155 WeakPolarHBondContact CA-O 3.41Å; I136-V157 HydrophobicContact CB-CG2 3.96Å; I136-V157 HydrophobicContact CD1-CG2 4.38Å; I136-V157 HydrophobicContact CG2-CG2 4.02Å
137Y98.1Very high95.5Very high9 Ų964 Ų644%0.03529%0.288CS..EExtended strand (participates in β ladder)trans-109.9112.9165-176.7-104.7000108.6E15 E17 I96 S98 E139 R154 Q155 P156 V157E15-Y137 PolarHBondContact OE1-OH 2.71Å; E17-Y137 HydrophobicContact CG-CE2 3.95Å; I96-Y137 HydrophobicContact CB-CD2 3.9Å; I96-Y137 HydrophobicContact CB-CE2 4.47Å; I96-Y137 HydrophobicContact CG2-CD2 3.61Å; I96-Y137 HydrophobicContact CG2-CE2 3.69Å; I96-Y137 WeakPolarHBondContact O-CA 2.97Å; S98-Y137 WeakPolarHBondContact CA-OH 3.24Å; Y137-E139 HydrophobicContact CD1-CB 3.7Å; Y137-E139 HydrophobicContact CD1-CG 3.82Å; Y137-E139 VanDerWaalsContact CD1-OE2 3.26Å; Y137-E139 WeakPolarHBondContact CD1-OE2 3.32Å; Y137-E139 HydrophobicContact CE1-CB 3.49Å; Y137-E139 VanDerWaalsContact CE1-CB 3.49Å; Y137-E139 HydrophobicContact CE1-CG 4.04Å; Y137-E139 WeakPolarHBondContact CE1-OE2 3.32Å; Y137-R154 VanDerWaalsContact CD1-CZ 3.45Å; Y137-Q155 PolarHBondContact N-O 3.15Å; Y137-P156 WeakPolarHBondContact O-CA 3.41Å; Y137-V157 PolarHBondContact O-N 2.91Å
138I98.4Very high95.1Very high5 Ų563.7 Ų63.73%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-88.4119.7-179.2-54.9162.7000107.2I96 L97 S98 Y101 I109 M113 I136 V157 L159I96-I138 PolarHBondContact O-N 3.49Å; L97-I138 HydrophobicContact CG-CB 4.44Å; L97-I138 HydrophobicContact CG-CD1 4.45Å; S98-I138 PolarHBondContact N-O 3.32Å; Y101-I138 HydrophobicContact CE2-CB 4.32Å; Y101-I138 HydrophobicContact CE2-CG2 3.72Å; Y101-I138 WeakPolarHBondContact CE2-O 3.38Å; I109-I138 HydrophobicContact CD1-CG2 4.16Å; I109-I138 HydrophobicContact CG2-CD1 4.27Å; M113-I138 HydrophobicContact CE-CD1 3.53Å; I136-I138 HydrophobicContact CD1-CD1 4Å; I136-I138 HydrophobicContact CD1-CG1 3.98Å; I136-I138 HydrophobicContact CG1-CG1 4.29Å; I138-V157 WeakPolarHBondContact CA-O 3.39Å; I138-V157 HydrophobicContact CG1-CB 4.32Å; I138-L159 HydrophobicContact CG2-CD1 3.73Å; I138-L159 HydrophobicContact CG2-CG 4.23Å
139E97.2Very high94.8Very high18 Ų1859.6 Ų59.68%0.08428%0.279CS..EExtended strand (participates in β ladder)trans-141.4145.8-173.456-173.5164.400113.2Y101 Y137 E141 R154 P156 V157 S158 L159Y101-E139 WeakPolarHBondContact OH-CA 3.26Å; Y101-E139 PolarHBondContact OH-N 2.75Å; Y101-E139 PolarHBondContact OH-O 3.01Å; Y101-E139 VanDerWaalsContact OH-O 3.04Å; Y137-E139 HydrophobicContact CD1-CB 3.7Å; Y137-E139 HydrophobicContact CD1-CG 3.82Å; Y137-E139 VanDerWaalsContact CD1-OE2 3.26Å; Y137-E139 WeakPolarHBondContact CD1-OE2 3.32Å; Y137-E139 HydrophobicContact CE1-CB 3.49Å; Y137-E139 VanDerWaalsContact CE1-CB 3.49Å; Y137-E139 HydrophobicContact CE1-CG 4.04Å; Y137-E139 WeakPolarHBondContact CE1-OE2 3.32Å; E139-E141 HydrophobicContact CB-CG 4.49Å; E139-E141 HydrophobicContact CG-CG 3.73Å; E139-E141 PolarHBondContact O-N 2.97Å; E139-E141 VanDerWaalsContact O-N 3.07Å; E139-R154 IonicContact OE2-NH2 3.17Å; E139-R154 PolarHBondContact OE2-NH2 3.15Å; E139-P156 WeakPolarHBondContact OE1-CB 3.27Å; E139-V157 PolarHBondContact N-O 3.35Å; E139-S158 CarbonylContact O-C 3.5Å; E139-S158 VanDerWaalsContact O-CA 3.26Å; E139-S158 WeakPolarHBondContact O-CA 3.35Å; E139-L159 PolarHBondContact O-N 3.4Å
140P95Very high94.7Very high6 Ų652.1 Ų52.14%0.03925%0.251CS..  trans-87.966.4176.533.9-31.1000111.1I9 R100 Y101 L159I9-P140 HydrophobicContact CD1-CB 3.41Å; I9-P140 VanDerWaalsContact CD1-CB 3.41Å; I9-P140 HydrophobicContact CD1-CG 4Å; I9-P140 HydrophobicContact CG1-CB 3.91Å; I9-P140 HydrophobicContact CG2-CB 3.88Å; I9-P140 HydrophobicContact CG2-CG 3.8Å; R100-P140 HydrophobicContact CB-CG 3.62Å; R100-P140 PolarHBondContact NH1-O 3.05Å; R100-P140 PolarHBondContact NH2-O 3.26Å; Y101-P140 HydrophobicContact CE1-CB 3.85Å; Y101-P140 HydrophobicContact CE1-CG 4.12Å; P140-L159 WeakPolarHBondContact CA-O 3.26Å; P140-L159 WeakPolarHBondContact CB-O 3.14Å
141E92.8Very high94.4Very high84 Ų8447.9 Ų47.939%0.39323%0.228SC..  trans-73.3-170.7163.6-70.1-61.314900109.9E139 S158 D160E139-E141 HydrophobicContact CB-CG 4.49Å; E139-E141 HydrophobicContact CG-CG 3.73Å; E139-E141 PolarHBondContact O-N 2.97Å; E139-E141 VanDerWaalsContact O-N 3.07Å; E141-S158 WeakPolarHBondContact CB-OG 3.38Å; E141-D160 WeakPolarHBondContact O-CB 3.42Å
142E89.7Confident94.1Very high122 Ų12243.9 Ų43.957%0.5722%0.219SC*.SBendtrans-80.4119.3-178.4-175.2167.4-163.400112.2Q50 A51 Y145Q50-E142 HydrophobicContact CG-CG 3.83Å; Q50-E142 PolarHBondContact NE2-OE1 2.98Å; A51-E142 VanDerWaalsContact CB-O 3.26Å; A51-E142 WeakPolarHBondContact CB-O 3.33Å; E142-Y145 WeakPolarHBondContact O-CE1 3.41Å
143G91.8Very high94Very high0 Ų044.6 Ų44.60%023%0.23CC..SBendtrans79179.9179.200000115.2P47 S158 D160P47-G143 CarbonylContact O-C 2.97Å; P47-G143 VanDerWaalsContact O-CA 3.26Å; P47-G143 WeakPolarHBondContact O-CA 3.26Å; G143-S158 WeakPolarHBondContact O-CB 3.42Å; G143-S158 PolarHBondContact O-OG 3.44Å; G143-D160 VanDerWaalsContact CA-OD2 3.27Å; G143-D160 WeakPolarHBondContact CA-OD2 3.35Å; G143-D160 PolarHBondContact N-OD2 3.12Å
144C94.6Very high94Very high12 Ų1239.8 Ų39.88%0.08121%0.212CC..SBendtrans-99.6122.7175.3-40.30000109.9P47 L48 D57 S158 C163P47-C144 VanDerWaalsContact CB-SG 3.59Å; P47-C144 PolarHBondContact O-N 3.02Å; L48-C144 HydrophobicContact CD2-CB 3.7Å; D57-C144 WeakPolarHBondContact CB-O 3.39Å; C144-S158 WeakPolarHBondContact CA-O 3.35Å; C144-C163 WeakPolarHBondContact CA-SG 3.37Å; C144-C163 HydrophobicContact CB-CB 4.1Å; C144-C163 WeakPolarHBondContact CB-SG 3.19Å; C144-C163 PolarHBondContact N-SG 3.42Å; C144-C163 WeakPolarHBondContact SG-CA 3.45Å; C144-C163 WeakPolarHBondContact SG-CB 3.34Å; C144-C163 CovalentContact SG-SG 2.01Å; C144-C163 PolarHBondContact SG-SG 3.05Å
145Y94.2Very high93.9Very high35 Ų3538.4 Ų38.414%0.13720%0.204CC..EExtended strand (participates in β ladder)trans-160.5159.3171.961.9-97.7000113.6A51 K53 D57 A59 E142 S158A51-Y145 HydrophobicContact CB-CD1 3.44Å; A51-Y145 VanDerWaalsContact CB-CD1 3.44Å; A51-Y145 HydrophobicContact CB-CE1 3.93Å; A51-Y145 HydrophobicContact CB-CG 4.45Å; K53-Y145 HydrophobicContact CD-CD1 4.48Å; K53-Y145 HydrophobicContact CD-CG 4.41Å; K53-Y145 HydrophobicContact CG-CD1 4.07Å; K53-Y145 HydrophobicContact CG-CG 3.9Å; D57-Y145 WeakPolarHBondContact O-CA 3.28Å; D57-Y145 WeakPolarHBondContact O-CB 3.39Å; A59-Y145 HydrophobicContact CB-CD2 3.74Å; A59-Y145 HydrophobicContact CB-CE2 4.33Å; E142-Y145 WeakPolarHBondContact O-CE1 3.41Å; Y145-S158 VanDerWaalsContact CD1-CB 3.46Å; Y145-S158 PolarHBondContact N-O 2.88Å; Y145-S158 PolarHBondContact O-N 3.27Å
146S94.3Very high93.8Very high42 Ų4238.7 Ų38.729%0.29421%0.209SC..EExtended strand (participates in β ladder)trans-145.2162.6169178.30000109.8D57 A59D57-S146 PolarHBondContact O-N 2.71Å; D57-S146 VanDerWaalsContact O-N 3.12Å; A59-S146 PolarHBondContact N-O 2.93Å
147M91.7Very high93.7Very high49 Ų4939.1 Ų39.124%0.24121%0.212CC..EExtended strand (participates in β ladder)trans-79.4162.1159.1-37.9175.8177.200110A59 M151 Q155 P156A59-M147 HydrophobicContact CB-CG 4.08Å; A59-M147 WeakPolarHBondContact O-CA 3.4Å; M147-M151 HydrophobicContact CB-CG 3.86Å; M147-M151 HydrophobicContact CG-CG 4.43Å; M147-M151 HydrophobicContact SD-CB 3.94Å; M147-M151 HydrophobicContact SD-CG 3.7Å; M147-Q155 HydrophobicContact CB-CG 4.46Å; M147-Q155 HydrophobicContact CG-CG 4.14Å; M147-Q155 HydrophobicContact SD-CG 3.9Å; M147-P156 HydrophobicContact CE-CG 4.17Å
148V89.6Confident93.7Very high47 Ų4738.7 Ų38.729%0.28521%0.211SC..SBendtrans-90122.4179.2-169.90000110.3I58 F61 F69 V81I58-V148 HydrophobicContact CD1-CG2 4.49Å; I58-V148 HydrophobicContact CG2-CG2 3.43Å; I58-V148 VanDerWaalsContact CG2-CG2 3.43Å; F61-V148 HydrophobicContact CE2-CG2 3.93Å; F61-V148 HydrophobicContact CZ-CG2 4.31Å; F69-V148 HydrophobicContact CZ-CG1 4.46Å; V81-V148 HydrophobicContact CG2-CB 4.28Å; V81-V148 HydrophobicContact CG2-CG1 3.4Å
149G90Very high93.5Very high26 Ų2640.7 Ų40.727%0.26822%0.221SC..SBendtrans73.2-165.5-178.900000113.6H86 Q155H86-G149 CarbonylContact O-C 3.49Å; H86-G149 VanDerWaalsContact O-CA 3.27Å; H86-G149 WeakPolarHBondContact O-CA 3.37Å; G149-Q155 PolarHBondContact O-NE2 2.75Å; G149-Q155 PolarHBondContact O-OE1 3.05Å
150R92Very high93.3Very high50 Ų5040.6 Ų40.619%0.18922%0.221CC..  trans-87.9113.6176.8-176.7-177.965.487.37109.5W85 H86 R87 W88 D134W85-R150 PolarHBondContact O-NH2 3.47Å; H86-R150 PolarHBondContact O-N 3.46Å; R87-R150 PolarHBondContact O-NE 3.48Å; W88-R150 HydrophobicContact CD2-CB 3.92Å; W88-R150 HydrophobicContact CD2-CG 4.13Å; W88-R150 HydrophobicContact CE3-CB 4.29Å; W88-R150 HydrophobicContact CE3-CG 3.98Å; W88-R150 HydrophobicContact CG-CB 4.24Å; W88-R150 HydrophobicContact CH2-CG 4.13Å; W88-R150 HydrophobicContact CZ2-CB 4.22Å; W88-R150 HydrophobicContact CZ2-CG 4.29Å; W88-R150 HydrophobicContact CZ3-CG 3.97Å; D134-R150 HydrophobicContact CB-CG 4.19Å; D134-R150 IonicContact OD2-CZ 2.69Å; D134-R150 IonicContact OD2-NH1 2.63Å; D134-R150 PolarHBondContact OD2-NH1 2.83Å
151M89.9Confident93.2Very high90 Ų9041.1 Ų41.144%0.44323%0.226SC..  trans-97.6-12.3179.1-63.6-60.1-68.100113.8M147M147-M151 HydrophobicContact CB-CG 3.86Å; M147-M151 HydrophobicContact CG-CG 4.43Å; M147-M151 HydrophobicContact SD-CB 3.94Å; M147-M151 HydrophobicContact SD-CG 3.7Å
152G90.2Very high93Very high31 Ų3137.8 Ų37.832%0.3221%0.214SC..SBendtrans96.7153.3-178.900000113.8D134D134-G152 WeakPolarHBondContact OD1-CA 3.47Å
153G94.8Very high93.1Very high28 Ų2833.2 Ų33.229%0.28920%0.195SC..SBendtrans63.7-154.1-177.400000113.9D134 Y135 Q155D134-G153 WeakPolarHBondContact CA-O 2.93Å; D134-G153 PolarHBondContact OD1-N 3.2Å; Y135-G153 PolarHBondContact N-O 3.42Å; Y135-G153 VanDerWaalsContact O-O 3.12Å; G153-Q155 PolarHBondContact O-N 3.12Å
154R95.7Very high93.1Very high114 Ų11433.3 Ų33.343%0.4320%0.195SC..EExtended strand (participates in β ladder)trans-77.4109.4171179.5-179.9170.8-95.49.1108.9Y135 Y137 E139Y135-R154 HydrophobicContact CE1-CB 3.8Å; Y135-R154 HydrophobicContact CE1-CG 4.45Å; Y135-R154 HydrophobicContact CE2-CB 4.08Å; Y135-R154 HydrophobicContact CE2-CG 3.8Å; Y137-R154 VanDerWaalsContact CD1-CZ 3.45Å; E139-R154 IonicContact OE2-NH2 3.17Å; E139-R154 PolarHBondContact OE2-NH2 3.15Å
155Q95.2Very high92.5Very high5 Ų539.4 Ų39.42%0.02322%0.223CC..EExtended strand (participates in β ladder)trans-102.2120.6177.9176.5174.9-21.100110.5Y135 I136 Y137 M147 G149 G153Y135-Q155 PolarHBondContact O-N 2.93Å; I136-Q155 CarbonylContact C-O 3.51Å; I136-Q155 VanDerWaalsContact CA-O 3.24Å; I136-Q155 WeakPolarHBondContact CA-O 3.41Å; Y137-Q155 PolarHBondContact N-O 3.15Å; M147-Q155 HydrophobicContact CB-CG 4.46Å; M147-Q155 HydrophobicContact CG-CG 4.14Å; M147-Q155 HydrophobicContact SD-CG 3.9Å; G149-Q155 PolarHBondContact O-NE2 2.75Å; G149-Q155 PolarHBondContact O-OE1 3.05Å; G153-Q155 PolarHBondContact O-N 3.12Å
156P95.6Very high91.4Very high28 Ų2839 Ų3918%0.18222%0.224CC..EExtended strand (participates in β ladder)trans-71.5139.5178.430.2-36000111.8Y137 E139 M147Y137-P156 WeakPolarHBondContact O-CA 3.41Å; E139-P156 WeakPolarHBondContact OE1-CB 3.27Å; M147-P156 HydrophobicContact CE-CG 4.17Å
157V97.4Very high90.1Very high21 Ų2138.8 Ų38.813%0.12722%0.222CC..EExtended strand (participates in β ladder)trans-122.3112.4164.1176.40000106.5I136 Y137 I138 E139 L159I136-V157 HydrophobicContact CB-CG2 3.96Å; I136-V157 HydrophobicContact CD1-CG2 4.38Å; I136-V157 HydrophobicContact CG2-CG2 4.02Å; Y137-V157 PolarHBondContact O-N 2.91Å; I138-V157 WeakPolarHBondContact CA-O 3.39Å; I138-V157 HydrophobicContact CG1-CB 4.32Å; E139-V157 PolarHBondContact N-O 3.35Å; V157-L159 HydrophobicContact CG1-CG 4.29Å
158S96.8Very high88.6Confident0 Ų051 Ų510%027%0.266CS..EExtended strand (participates in β ladder)trans-86.9122.1179.7-173.20000110.1E139 E141 G143 C144 Y145E139-S158 CarbonylContact O-C 3.5Å; E139-S158 VanDerWaalsContact O-CA 3.26Å; E139-S158 WeakPolarHBondContact O-CA 3.35Å; E141-S158 WeakPolarHBondContact CB-OG 3.38Å; G143-S158 WeakPolarHBondContact O-CB 3.42Å; G143-S158 PolarHBondContact O-OG 3.44Å; C144-S158 WeakPolarHBondContact CA-O 3.35Å; Y145-S158 VanDerWaalsContact CD1-CB 3.46Å; Y145-S158 PolarHBondContact N-O 2.88Å; Y145-S158 PolarHBondContact O-N 3.27Å
159L95.8Very high88.6Confident46 Ų4651.3 Ų51.324%0.24127%0.265CS..  trans-130.497.1167.5-56.1172.4000108.1Y101 I109 I138 E139 P140 V157 C163 M164Y101-L159 VanDerWaalsContact CE1-O 3.27Å; Y101-L159 WeakPolarHBondContact CE1-O 3.45Å; Y101-L159 WeakPolarHBondContact OH-CB 3.39Å; Y101-L159 PolarHBondContact OH-O 3.01Å; I109-L159 HydrophobicContact CD1-CD1 4.42Å; I109-L159 HydrophobicContact CG1-CD1 4.17Å; I138-L159 HydrophobicContact CG2-CD1 3.73Å; I138-L159 HydrophobicContact CG2-CG 4.23Å; E139-L159 PolarHBondContact O-N 3.4Å; P140-L159 WeakPolarHBondContact CA-O 3.26Å; P140-L159 WeakPolarHBondContact CB-O 3.14Å; V157-L159 HydrophobicContact CG1-CG 4.29Å; L159-C163 HydrophobicContact CB-CB 3.96Å; L159-C163 HydrophobicContact CD2-CB 3.96Å; L159-M164 HydrophobicContact CB-CE 3.62Å; L159-M164 WeakPolarHBondContact O-CE 3.48Å
160D92.5Very high88.5Confident17 Ų1752.6 Ų52.69%0.09127%0.265CS..  trans-75.1-170.717683.70.3000112.2Q50 E141 G143 G162 C163 M164Q50-D160 PolarHBondContact OE1-OD2 3.13Å; E141-D160 WeakPolarHBondContact O-CB 3.42Å; G143-D160 VanDerWaalsContact CA-OD2 3.27Å; G143-D160 WeakPolarHBondContact CA-OD2 3.35Å; G143-D160 PolarHBondContact N-OD2 3.12Å; D160-G162 VanDerWaalsContact C-N 3.32Å; D160-G162 PolarHBondContact O-N 3.16Å; D160-G162 VanDerWaalsContact OD1-CA 3.26Å; D160-G162 WeakPolarHBondContact OD1-CA 3.46Å; D160-G162 PolarHBondContact OD1-N 2.95Å; D160-C163 PolarHBondContact N-SG 2.99Å; D160-C163 PolarHBondContact O-N 2.75Å; D160-C163 PolarHBondContact OD1-N 3.22Å; D160-C163 PolarHBondContact OD1-SG 3.37Å; D160-M164 WeakPolarHBondContact O-CG 3.37Å
161A91.8Very high88.3Confident17 Ų1752.7 Ų52.714%0.1427%0.269CS..SBendtrans-67.1-30.9179.600000113.8I8 I9 L41 C163I8-A161 HydrophobicContact CG2-CB 3.9Å; I9-A161 HydrophobicContact CG1-CB 3.94Å; L41-A161 HydrophobicContact CD1-CB 3.59Å; L41-A161 WeakPolarHBondContact CD2-O 3.27Å; A161-C163 VanDerWaalsContact C-N 3.33Å
162G89.9Confident88.2Confident14 Ų1450.5 Ų50.514%0.14426%0.259CS..THydrogen-bonded Turntrans-72.7-23.4175.500000113.7D160 M164D160-G162 VanDerWaalsContact C-N 3.32Å; D160-G162 PolarHBondContact O-N 3.16Å; D160-G162 VanDerWaalsContact OD1-CA 3.26Å; D160-G162 WeakPolarHBondContact OD1-CA 3.46Å; D160-G162 PolarHBondContact OD1-N 2.95Å; G162-M164 PolarHBondContact O-N 3.18Å
163C91.8Very high88.1Confident25 Ų2551.8 Ų51.817%0.16926%0.255CS..THydrogen-bonded Turntrans-75.6-4.3176.4-470000114.3C144 L159 D160 A161 E165C144-C163 WeakPolarHBondContact CA-SG 3.37Å; C144-C163 HydrophobicContact CB-CB 4.1Å; C144-C163 WeakPolarHBondContact CB-SG 3.19Å; C144-C163 PolarHBondContact N-SG 3.42Å; C144-C163 WeakPolarHBondContact SG-CA 3.45Å; C144-C163 WeakPolarHBondContact SG-CB 3.34Å; C144-C163 CovalentContact SG-SG 2.01Å; C144-C163 PolarHBondContact SG-SG 3.05Å; L159-C163 HydrophobicContact CB-CB 3.96Å; L159-C163 HydrophobicContact CD2-CB 3.96Å; D160-C163 PolarHBondContact N-SG 2.99Å; D160-C163 PolarHBondContact O-N 2.75Å; D160-C163 PolarHBondContact OD1-N 3.22Å; D160-C163 PolarHBondContact OD1-SG 3.37Å; A161-C163 VanDerWaalsContact C-N 3.33Å; C163-E165 VanDerWaalsContact C-N 3.25Å; C163-E165 PolarHBondContact O-N 2.94Å
164M90.9Very high87.6Confident2 Ų253.3 Ų53.31%0.0125%0.252CS..  trans-9133.8-167.4-64.9-69.316600113.6I8 I9 L36 Y101 Y104 S105 V108 I109 L159 D160 G162I8-M164 HydrophobicContact CG2-CB 3.88Å; I8-M164 HydrophobicContact CG2-CG 3.64Å; I9-M164 HydrophobicContact CD1-CE 4.44Å; L36-M164 HydrophobicContact CD2-CB 4.17Å; L36-M164 WeakPolarHBondContact CD2-O 3.44Å; Y101-M164 HydrophobicContact CD1-CE 3.72Å; Y101-M164 HydrophobicContact CE1-CE 3.2Å; Y104-M164 HydrophobicContact CE1-CB 4.23Å; Y104-M164 WeakPolarHBondContact CE1-O 3.27Å; Y104-M164 PolarHBondContact OH-O 3.02Å; S105-M164 WeakPolarHBondContact CB-SD 3.19Å; S105-M164 VanDerWaalsContact OG-CG 3.3Å; S105-M164 WeakPolarHBondContact OG-CG 3.3Å; S105-M164 PolarHBondContact OG-SD 2.79Å; V108-M164 HydrophobicContact CB-SD 4.46Å; V108-M164 HydrophobicContact CG1-SD 4.43Å; I109-M164 HydrophobicContact CD1-CE 4.31Å; L159-M164 HydrophobicContact CB-CE 3.62Å; L159-M164 WeakPolarHBondContact O-CE 3.48Å; D160-M164 WeakPolarHBondContact O-CG 3.37Å; G162-M164 PolarHBondContact O-N 3.18Å
165E82.1Confident87Confident141 Ų14149 Ų4966%0.65924%0.24SC*.PPolyproline II helixtrans-79.5132169.7-62.4-165.715900109.6L36 C163L36-E165 HydrophobicContact CD1-CG 3.57Å; L36-E165 HydrophobicContact CG-CG 4.22Å; C163-E165 VanDerWaalsContact C-N 3.25Å; C163-E165 PolarHBondContact O-N 2.94Å
166P72.2Confident86.4Confident26 Ų2652.4 Ų52.417%0.16926%0.256CS..PPolyproline II helixtrans-63.7147.317824.9-31.2000110.8R168P166-R168 PolarHBondContact O-N 2.85Å
167P66.3Low85.6Confident38 Ų3854.4 Ų54.425%0.24726%0.263CS..PPolyproline II helixtrans-54.6134.4172.8-20.730.3000110.6R111 A112R111-P167 HydrophobicContact CG-CG 4.37Å; R111-P167 PolarHBondContact NH2-O 3.49Å; R111-P167 VanDerWaalsContact NH2-O 3.11Å; A112-P167 HydrophobicContact CB-CG 4.01Å
168R60.2Low84.6Confident306 Ų30657.5 Ų57.5100%1.15528%0.275SS*.  trans-63.30174-80.7-173.3-81.9172.1-6.8111.7P166P166-R168 PolarHBondContact O-N 2.85Å

Retrieved 168 of 168 residues in 224.9 ms (Link to these results)

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