A0A087X4Y6_POEFO Loading...

All-trans-retinol 13,14-reductase

AlphaFold DB , UniProt , Accession A0A087X4Y6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 610 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
1M54.4Low65.3Low186 Ų186102.4 Ų102.492%0.91659%0.587SS**  0-51.90-155.7176.960.500112.3T3 I4 V5M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 3.24Å; M1-I4 PolarHBondContact O-N 3.09Å; M1-V5 WeakPolarHBondContact O-CG2 3.28Å; M1-V5 PolarHBondContact O-N 2.72Å; M1-V5 VanDerWaalsContact O-N 3.09Å
2L57.2Low65.5Low153 Ų15397 Ų9780%0.80156%0.555SS**Hα-helixtrans-55.2-42176.5-116.5102.7000114I4 V5 A6L2-I4 VanDerWaalsContact C-N 3.35Å; L2-I4 PolarHBondContact O-N 3.14Å; L2-V5 PolarHBondContact O-N 2.68Å; L2-A6 WeakPolarHBondContact O-CB 3.25Å; L2-A6 PolarHBondContact O-N 2.95Å
3T59.7Low66.2Low117 Ų11795.5 Ų95.572%0.71855%0.548SS*.Hα-helixtrans-66.5-35.3-179.6-31.70000112.7M1 F7M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 3.24Å; T3-F7 VanDerWaalsContact O-CB 3.31Å; T3-F7 WeakPolarHBondContact O-CB 3.35Å; T3-F7 PolarHBondContact O-N 2.86Å
4I64.8Low66.6Low127 Ų12796 Ų9665%0.65155%0.547SS*.Hα-helixtrans-72.1-41.7177.8-62.9172.8000109.9M1 L2 F7 A8M1-I4 PolarHBondContact O-N 3.09Å; L2-I4 VanDerWaalsContact C-N 3.35Å; L2-I4 PolarHBondContact O-N 3.14Å; I4-F7 PolarHBondContact O-N 3.17Å; I4-A8 WeakPolarHBondContact O-CB 3.44Å; I4-A8 PolarHBondContact O-N 2.86Å
5V64.3Low66.7Low85 Ų8595.9 Ų95.952%0.51554%0.538SS..Hα-helixtrans-63.9-45174.7175.30000110.7M1 L2 F7 A8 C9M1-V5 WeakPolarHBondContact O-CG2 3.28Å; M1-V5 PolarHBondContact O-N 2.72Å; M1-V5 VanDerWaalsContact O-N 3.09Å; L2-V5 PolarHBondContact O-N 2.68Å; V5-F7 PolarHBondContact O-N 3.43Å; V5-A8 PolarHBondContact O-N 2.92Å; V5-C9 WeakPolarHBondContact O-CB 3.48Å; V5-C9 PolarHBondContact O-N 2.84Å; V5-C9 PolarHBondContact O-SG 2.68Å
6A66.3Low66.8Low53 Ų5393.4 Ų93.444%0.43852%0.522SS..Hα-helixtrans-61.3-44.1176.200000112L2 C9 V10L2-A6 WeakPolarHBondContact O-CB 3.25Å; L2-A6 PolarHBondContact O-N 2.95Å; A6-C9 PolarHBondContact O-N 2.93Å; A6-V10 VanDerWaalsContact O-CG2 3.31Å; A6-V10 WeakPolarHBondContact O-CG2 3.35Å; A6-V10 PolarHBondContact O-N 3.26Å
7F72Confident67Low151 Ų15193 Ų9366%0.66252%0.518SS*.Hα-helixtrans-64.8-40.6177.1-170.2-93.9000112.4T3 I4 V5 V10 S11T3-F7 VanDerWaalsContact O-CB 3.31Å; T3-F7 WeakPolarHBondContact O-CB 3.35Å; T3-F7 PolarHBondContact O-N 2.86Å; I4-F7 PolarHBondContact O-N 3.17Å; V5-F7 PolarHBondContact O-N 3.43Å; F7-V10 PolarHBondContact O-N 3.1Å; F7-S11 VanDerWaalsContact O-CB 3.26Å; F7-S11 WeakPolarHBondContact O-CB 3.42Å; F7-S11 PolarHBondContact O-N 3.47Å; F7-S11 PolarHBondContact O-OG 3.1Å
8A65.3Low67.1Low56 Ų5696.7 Ų96.746%0.46353%0.528SS..Hα-helixtrans-63.7-42.4174.100000111.6I4 V5 S11 L12I4-A8 WeakPolarHBondContact O-CB 3.44Å; I4-A8 PolarHBondContact O-N 2.86Å; V5-A8 PolarHBondContact O-N 2.92Å; A8-S11 PolarHBondContact O-N 2.83Å; A8-L12 WeakPolarHBondContact O-CB 3.43Å; A8-L12 PolarHBondContact O-N 3.46Å
9C70.3Confident67Low66 Ų6696.3 Ų96.345%0.44652%0.518SS..Hα-helixtrans-63.4-45.4175-71.90000112.2V5 A6 L12 V13V5-C9 WeakPolarHBondContact O-CB 3.48Å; V5-C9 PolarHBondContact O-N 2.84Å; V5-C9 PolarHBondContact O-SG 2.68Å; A6-C9 PolarHBondContact O-N 2.93Å; C9-L12 WeakPolarHBondContact O-CB 3.48Å; C9-L12 PolarHBondContact O-N 3.47Å; C9-V13 WeakPolarHBondContact O-CB 3.35Å; C9-V13 VanDerWaalsContact O-CG2 3.27Å; C9-V13 WeakPolarHBondContact O-CG2 3.5Å; C9-V13 PolarHBondContact O-N 3.11Å
10V74.3Confident67Low83 Ų8392.6 Ų92.650%0.50350%0.499SS..Hα-helixtrans-64.8-42.7177.41710000110.7A6 F7 L12 V13 I14A6-V10 VanDerWaalsContact O-CG2 3.31Å; A6-V10 WeakPolarHBondContact O-CG2 3.35Å; A6-V10 PolarHBondContact O-N 3.26Å; F7-V10 PolarHBondContact O-N 3.1Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 2.8Å; V10-V13 PolarHBondContact O-N 3.29Å; V10-I14 HydrophobicContact CG1-CD1 3.69Å; V10-I14 HydrophobicContact CG1-CG1 4.32Å; V10-I14 WeakPolarHBondContact O-CB 2.86Å; V10-I14 VanDerWaalsContact O-CG1 3.27Å; V10-I14 WeakPolarHBondContact O-CG1 3.31Å; V10-I14 PolarHBondContact O-N 2.9Å
11S69.6Low67.1Low49 Ų4994.3 Ų94.334%0.34350%0.502SS..Hα-helixtrans-63.2-40.6176.4-60.60000112F7 A8 I14 F15F7-S11 VanDerWaalsContact O-CB 3.26Å; F7-S11 WeakPolarHBondContact O-CB 3.42Å; F7-S11 PolarHBondContact O-N 3.47Å; F7-S11 PolarHBondContact O-OG 3.1Å; A8-S11 PolarHBondContact O-N 2.83Å; S11-I14 PolarHBondContact O-N 2.98Å; S11-F15 VanDerWaalsContact O-CB 3.25Å; S11-F15 WeakPolarHBondContact O-CB 3.5Å; S11-F15 PolarHBondContact O-N 3.25Å
12L68.4Low67.6Low38 Ų3887.9 Ų87.920%0.19948%0.484CS..Hα-helixtrans-62.6-44.6174-176.168.1000111.4A8 C9 V10 F15 I16 L214 F217 L218A8-L12 WeakPolarHBondContact O-CB 3.43Å; A8-L12 PolarHBondContact O-N 3.46Å; C9-L12 WeakPolarHBondContact O-CB 3.48Å; C9-L12 PolarHBondContact O-N 3.47Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-L12 PolarHBondContact O-N 2.8Å; L12-F15 PolarHBondContact O-N 2.91Å; L12-I16 HydrophobicContact CD1-CD1 4.28Å; L12-I16 HydrophobicContact CG-CD1 3.98Å; L12-I16 WeakPolarHBondContact O-CB 3.47Å; L12-I16 WeakPolarHBondContact O-CD1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.32Å; L12-I16 PolarHBondContact O-N 3Å; L12-L214 HydrophobicContact CD1-CD1 3.26Å; L12-F217 HydrophobicContact CD2-CE1 4.43Å; L12-L218 HydrophobicContact CD1-CD2 4.47Å; L12-L218 HydrophobicContact CD2-CD2 4.09Å
13V74Confident68.4Low78 Ų7882.2 Ų82.247%0.47346%0.457SS..Hα-helixtrans-63.8-47.6176.2169.10000110.7C9 V10 F15 I16 L17C9-V13 WeakPolarHBondContact O-CB 3.35Å; C9-V13 VanDerWaalsContact O-CG2 3.27Å; C9-V13 WeakPolarHBondContact O-CG2 3.5Å; C9-V13 PolarHBondContact O-N 3.11Å; V10-V13 PolarHBondContact O-N 3.29Å; V13-F15 VanDerWaalsContact C-N 3.31Å; V13-F15 PolarHBondContact O-N 3.46Å; V13-I16 PolarHBondContact O-N 3.28Å; V13-L17 HydrophobicContact CG1-CD1 3.73Å; V13-L17 HydrophobicContact CG1-CG 4.16Å; V13-L17 WeakPolarHBondContact O-CB 2.99Å; V13-L17 WeakPolarHBondContact O-CG 3.38Å; V13-L17 PolarHBondContact O-N 2.94Å
14I72.8Confident69.3Low102 Ų10281.4 Ų81.452%0.52346%0.456SS..Hα-helixtrans-60.6-42.8177.4-69.3168000110.6V10 S11 L17 K18V10-I14 HydrophobicContact CG1-CD1 3.69Å; V10-I14 HydrophobicContact CG1-CG1 4.32Å; V10-I14 WeakPolarHBondContact O-CB 2.86Å; V10-I14 VanDerWaalsContact O-CG1 3.27Å; V10-I14 WeakPolarHBondContact O-CG1 3.31Å; V10-I14 PolarHBondContact O-N 2.9Å; S11-I14 PolarHBondContact O-N 2.98Å; I14-L17 PolarHBondContact O-N 3.26Å; I14-K18 VanDerWaalsContact O-CB 3.25Å; I14-K18 WeakPolarHBondContact O-CB 3.47Å; I14-K18 PolarHBondContact O-N 3.1Å
15F67.9Low70.5Confident95 Ų9576.1 Ų76.142%0.41743%0.433SS..Hα-helixtrans-63.4-45.6177.2-176.3-90.8000111.7S11 L12 V13 K18 Y19 P211 L214S11-F15 VanDerWaalsContact O-CB 3.25Å; S11-F15 WeakPolarHBondContact O-CB 3.5Å; S11-F15 PolarHBondContact O-N 3.25Å; L12-F15 PolarHBondContact O-N 2.91Å; V13-F15 VanDerWaalsContact C-N 3.31Å; V13-F15 PolarHBondContact O-N 3.46Å; F15-K18 PolarHBondContact O-N 3.47Å; F15-Y19 VanDerWaalsContact O-CB 3.22Å; F15-Y19 WeakPolarHBondContact O-CB 3.07Å; F15-Y19 PolarHBondContact O-N 3.32Å; F15-P211 HydrophobicContact CE1-CG 4.08Å; F15-P211 HydrophobicContact CZ-CG 3.92Å; F15-L214 HydrophobicContact CD1-CD2 3.61Å; F15-L214 HydrophobicContact CE1-CD2 3.52Å
16I67.8Low72Confident55 Ų5575.2 Ų75.228%0.28243%0.429SS..Hα-helixtrans-62.1-45.8176-70.8167.2000110.2L12 V13 Y19 V20 L214L12-I16 HydrophobicContact CD1-CD1 4.28Å; L12-I16 HydrophobicContact CG-CD1 3.98Å; L12-I16 WeakPolarHBondContact O-CB 3.47Å; L12-I16 WeakPolarHBondContact O-CD1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.32Å; L12-I16 PolarHBondContact O-N 3Å; V13-I16 PolarHBondContact O-N 3.28Å; I16-Y19 PolarHBondContact O-N 3.04Å; I16-V20 HydrophobicContact CG2-CG2 4.07Å; I16-V20 VanDerWaalsContact O-CB 3.24Å; I16-V20 WeakPolarHBondContact O-CB 3.42Å; I16-V20 WeakPolarHBondContact O-CG2 3.21Å; I16-V20 PolarHBondContact O-N 3.34Å; I16-L214 HydrophobicContact CG1-CD2 4.2Å
17L70.7Confident73.4Confident87 Ų8774.1 Ų74.146%0.45542%0.416SS..Hα-helixtrans-63-46.9178.2-70.8174.6000111.1V13 I14 Y19 V20 F21V13-L17 HydrophobicContact CG1-CD1 3.73Å; V13-L17 HydrophobicContact CG1-CG 4.16Å; V13-L17 WeakPolarHBondContact O-CB 2.99Å; V13-L17 WeakPolarHBondContact O-CG 3.38Å; V13-L17 PolarHBondContact O-N 2.94Å; I14-L17 PolarHBondContact O-N 3.26Å; L17-Y19 VanDerWaalsContact C-N 3.29Å; L17-Y19 PolarHBondContact O-N 2.96Å; L17-V20 PolarHBondContact O-N 3.3Å; L17-F21 HydrophobicContact CB-CD2 4.38Å; L17-F21 HydrophobicContact CD2-CD2 3.92Å; L17-F21 HydrophobicContact CD2-CE2 3.59Å; L17-F21 VanDerWaalsContact O-CB 3.31Å; L17-F21 WeakPolarHBondContact O-CB 3.44Å; L17-F21 VanDerWaalsContact O-CD2 3.28Å; L17-F21 WeakPolarHBondContact O-CD2 3.31Å; L17-F21 PolarHBondContact O-N 2.65Å
18K68.9Low74.6Confident160 Ų16067.3 Ų67.370%0.69639%0.387SS*.Hα-helixtrans-62.4-37.2176.3-173.4177178.9179.30111.6I14 F15 G22I14-K18 VanDerWaalsContact O-CB 3.25Å; I14-K18 WeakPolarHBondContact O-CB 3.47Å; I14-K18 PolarHBondContact O-N 3.1Å; F15-K18 PolarHBondContact O-N 3.47Å; K18-G22 WeakPolarHBondContact O-CA 3.36Å; K18-G22 PolarHBondContact O-N 3.42Å
19Y64.5Low76Confident88 Ų8864.9 Ų64.935%0.34537%0.366SS..Hα-helixtrans-73.4-41.1177.9-174.5-96.6000112.4F15 I16 L17 L209 C210 P211F15-Y19 VanDerWaalsContact O-CB 3.22Å; F15-Y19 WeakPolarHBondContact O-CB 3.07Å; F15-Y19 PolarHBondContact O-N 3.32Å; I16-Y19 PolarHBondContact O-N 3.04Å; L17-Y19 VanDerWaalsContact C-N 3.29Å; L17-Y19 PolarHBondContact O-N 2.96Å; Y19-L209 HydrophobicContact CE1-CB 4.22Å; Y19-L209 PolarHBondContact OH-O 2.94Å; Y19-C210 HydrophobicContact CD1-CB 4.43Å; Y19-C210 HydrophobicContact CE1-CB 4.32Å; Y19-P211 HydrophobicContact CD2-CG 4.32Å; Y19-P211 HydrophobicContact CE2-CG 4.21Å
20V67.3Low77.1Confident22 Ų2268.1 Ų68.113%0.13338%0.375CS..Hα-helixtrans-72.4-37.6-179.2169.70000111.6I16 L17 L591I16-V20 HydrophobicContact CG2-CG2 4.07Å; I16-V20 VanDerWaalsContact O-CB 3.24Å; I16-V20 WeakPolarHBondContact O-CB 3.42Å; I16-V20 WeakPolarHBondContact O-CG2 3.21Å; I16-V20 PolarHBondContact O-N 3.34Å; L17-V20 PolarHBondContact O-N 3.3Å; V20-L591 HydrophobicContact CG1-CD2 3.89Å; V20-L591 WeakPolarHBondContact O-CD2 3.44Å
21F69.8Low77.9Confident129 Ų12971.8 Ų71.857%0.56638%0.384SS*.Hα-helixtrans-109.1-16.1-173.5-63.3-76000114.7L17 S23 L591L17-F21 HydrophobicContact CB-CD2 4.38Å; L17-F21 HydrophobicContact CD2-CD2 3.92Å; L17-F21 HydrophobicContact CD2-CE2 3.59Å; L17-F21 VanDerWaalsContact O-CB 3.31Å; L17-F21 WeakPolarHBondContact O-CB 3.44Å; L17-F21 VanDerWaalsContact O-CD2 3.28Å; L17-F21 WeakPolarHBondContact O-CD2 3.31Å; L17-F21 PolarHBondContact O-N 2.65Å; F21-S23 PolarHBondContact O-N 3Å; F21-L591 HydrophobicContact CD1-CD2 3.63Å; F21-L591 HydrophobicContact CE1-CD1 4.42Å; F21-L591 HydrophobicContact CE1-CD2 3.61Å; F21-L591 HydrophobicContact CG-CD2 4.5Å; F21-L591 HydrophobicContact CZ-CD2 4.45Å
22G64.3Low78.9Confident52 Ų5272.7 Ų72.754%0.53639%0.385SS..  trans-96.941.7-175.300000114.3K18K18-G22 WeakPolarHBondContact O-CA 3.36Å; K18-G22 PolarHBondContact O-N 3.42Å
23S73.4Confident80.1Confident33 Ų3372.6 Ų72.623%0.23139%0.386CS..  trans-69.4132.2178.655.90000112.3F21 R587F21-S23 PolarHBondContact O-N 3Å; S23-R587 PolarHBondContact OG-NH1 3.16Å
24S78.6Confident81.1Confident100 Ų10072.7 Ų72.770%0.69938%0.378SS*.  trans-101.2-16.2-178.359.90000114.9N586S24-N586 PolarHBondContact OG-ND2 3.12Å; S24-N586 VanDerWaalsContact OG-ND2 3.08Å
25G91Very high82.1Confident17 Ų1771 Ų7118%0.17537%0.368CS..SBendtrans-86.7175.5-177.900000115.1L585 R587G25-L585 VanDerWaalsContact CA-O 3.25Å; G25-L585 WeakPolarHBondContact CA-O 3.04Å; G25-R587 WeakPolarHBondContact O-CD 3.45Å; G25-R587 PolarHBondContact O-NH1 3.07Å
26P95.9Very high83.4Confident66 Ų6672.1 Ų72.143%0.42939%0.385SS..  trans-69.3150.3-173.231.9-37.3000111.6V85 L585 R587P26-V85 HydrophobicContact CB-CB 3.88Å; P26-V85 HydrophobicContact CB-CG1 3.75Å; P26-V85 HydrophobicContact CG-CB 3.9Å; P26-V85 HydrophobicContact CG-CG1 4.03Å; P26-V85 HydrophobicContact CG-CG2 4.12Å; P26-L585 HydrophobicContact CG-CD2 4.05Å; P26-R587 VanDerWaalsContact O-CD 3.25Å; P26-R587 WeakPolarHBondContact O-CD 3.35Å
27N95.4Very high84.7Confident30 Ų3074.2 Ų74.216%0.1640%0.397CS..  trans-111.2107.4-174-172.5-1.2000112F29 E30 R587 D592N27-F29 PolarHBondContact O-N 3.04Å; N27-F29 VanDerWaalsContact O-N 3.17Å; N27-F29 WeakPolarHBondContact OD1-CA 3.36Å; N27-F29 WeakPolarHBondContact OD1-CB 3.45Å; N27-F29 PolarHBondContact OD1-N 2.86Å; N27-E30 HydrophobicContact CB-CB 4.05Å; N27-E30 WeakPolarHBondContact O-CB 3.37Å; N27-E30 PolarHBondContact O-N 3.39Å; N27-E30 PolarHBondContact OD1-N 3.45Å; N27-R587 VanDerWaalsContact CB-NE 3.3Å; N27-R587 VanDerWaalsContact CG-NE 3.34Å; N27-R587 PolarHBondContact ND2-NH2 3.34Å; N27-D592 PolarHBondContact ND2-OD1 2.85Å
28P96.3Very high85.9Confident8 Ų876.3 Ų76.35%0.05240%0.402CS..THydrogen-bonded Turntrans-68.2-10.4175.328.8-34.1000113.8L81 K84 V85 L585 L589P28-L81 HydrophobicContact CB-CD2 4.05Å; P28-L81 HydrophobicContact CG-CB 4.46Å; P28-L81 HydrophobicContact CG-CD2 3.87Å; P28-K84 HydrophobicContact CB-CB 3.92Å; P28-K84 HydrophobicContact CB-CD 4.45Å; P28-V85 HydrophobicContact CB-CG1 4.04Å; P28-L585 HydrophobicContact CG-CD1 4.31Å; P28-L589 VanDerWaalsContact CD-CD2 3.5Å; P28-L589 HydrophobicContact CG-CD1 4.24Å; P28-L589 HydrophobicContact CG-CD2 3.7Å
29F95.3Very high87Confident5 Ų575.3 Ų75.32%0.02241%0.409CS..THydrogen-bonded Turntrans-110.615.3178.6-57.9-70.9000112.8N27 K31 L81 M131 Q134 M135 L578 L589 D592 L596N27-F29 PolarHBondContact O-N 3.04Å; N27-F29 VanDerWaalsContact O-N 3.17Å; N27-F29 WeakPolarHBondContact OD1-CA 3.36Å; N27-F29 WeakPolarHBondContact OD1-CB 3.45Å; N27-F29 PolarHBondContact OD1-N 2.86Å; F29-K31 PolarHBondContact O-N 3.45Å; F29-L81 HydrophobicContact CE1-CD2 4.19Å; F29-L81 HydrophobicContact CE2-CD2 3.74Å; F29-L81 HydrophobicContact CZ-CD2 3.44Å; F29-L81 VanDerWaalsContact CZ-CD2 3.44Å; F29-M131 HydrophobicContact CE1-CG 4.39Å; F29-M131 HydrophobicContact CZ-CG 4.22Å; F29-Q134 HydrophobicContact CD1-CB 4.04Å; F29-Q134 HydrophobicContact CD1-CG 3.96Å; F29-Q134 HydrophobicContact CE1-CB 3.92Å; F29-Q134 HydrophobicContact CE1-CG 4.23Å; F29-M135 HydrophobicContact CZ-CE 4.5Å; F29-L578 HydrophobicContact CE2-CD2 3.76Å; F29-L578 HydrophobicContact CZ-CD2 3.9Å; F29-L589 HydrophobicContact CD2-CD2 4.41Å; F29-L589 HydrophobicContact CE2-CB 4.09Å; F29-D592 HydrophobicContact CB-CB 4.08Å; F29-D592 HydrophobicContact CD2-CB 3.97Å; F29-D592 HydrophobicContact CG-CB 4.45Å; F29-L596 HydrophobicContact CB-CD2 4.08Å; F29-L596 HydrophobicContact CD1-CD2 4.28Å
30E92.3Very high88.2Confident134 Ų13472.8 Ų72.863%0.62640%0.4SS*.SBendtrans-59.8-38.1180-168.6179.3176.300112.3N27N27-E30 HydrophobicContact CB-CB 4.05Å; N27-E30 WeakPolarHBondContact O-CB 3.37Å; N27-E30 PolarHBondContact O-N 3.39Å; N27-E30 PolarHBondContact OD1-N 3.45Å
31K91Very high89.5Confident160 Ų16073.9 Ų73.970%0.69641%0.406SS*.SBendtrans-123.6145-178.4-61.5-179.8-175.4176.20109.7F29 C33 Q134F29-K31 PolarHBondContact O-N 3.45Å; K31-C33 PolarHBondContact O-N 2.88Å; K31-Q134 PolarHBondContact O-OE1 2.83Å
32D92.3Very high90.5Very high68 Ų6872.2 Ų72.236%0.36440%0.397SS..  trans-70.2115.5167.3-172.7-1.9000109R34 Q134 L596D32-R34 WeakPolarHBondContact OD1-CB 3.45Å; D32-R34 VanDerWaalsContact OD1-CG 3.27Å; D32-R34 WeakPolarHBondContact OD1-CG 3.06Å; D32-R34 IonicContact OD1-CZ 3.76Å; D32-R34 PolarHBondContact OD1-N 2.82Å; D32-R34 VanDerWaalsContact OD1-N 3.15Å; D32-R34 IonicContact OD1-NE 3.93Å; D32-R34 PolarHBondContact OD1-NE 2.87Å; D32-R34 IonicContact OD1-NH2 3.68Å; D32-R34 IonicContact OD2-CZ 3.61Å; D32-R34 VanDerWaalsContact OD2-CZ 3.24Å; D32-R34 IonicContact OD2-NE 3.76Å; D32-R34 PolarHBondContact OD2-NE 3.07Å; D32-R34 IonicContact OD2-NH2 2.7Å; D32-R34 PolarHBondContact OD2-NH2 3.46Å; D32-Q134 PolarHBondContact OD1-NE2 2.83Å; D32-L596 HydrophobicContact CB-CD1 4.4Å
33C92.9Very high91.8Very high35 Ų3573.5 Ų73.524%0.23639%0.392CS..  trans-103.414-17664.30000113.3K31 E35 K84 Q134K31-C33 PolarHBondContact O-N 2.88Å; C33-E35 PolarHBondContact O-N 3.17Å; C33-K84 PolarHBondContact SG-NZ 3.45Å; C33-Q134 PolarHBondContact SG-O 3.31Å; C33-Q134 PolarHBondContact SG-OE1 2.88Å
34R94.2Very high92.6Very high80 Ų8075.9 Ų75.930%0.30240%0.398SS..PPolyproline II helixtrans-64.3129.7173.9-68.3176-63.6170.611110.1D32 D133D32-R34 WeakPolarHBondContact OD1-CB 3.45Å; D32-R34 VanDerWaalsContact OD1-CG 3.27Å; D32-R34 WeakPolarHBondContact OD1-CG 3.06Å; D32-R34 IonicContact OD1-CZ 3.76Å; D32-R34 PolarHBondContact OD1-N 2.82Å; D32-R34 VanDerWaalsContact OD1-N 3.15Å; D32-R34 IonicContact OD1-NE 3.93Å; D32-R34 PolarHBondContact OD1-NE 2.87Å; D32-R34 IonicContact OD1-NH2 3.68Å; D32-R34 IonicContact OD2-CZ 3.61Å; D32-R34 VanDerWaalsContact OD2-CZ 3.24Å; D32-R34 IonicContact OD2-NE 3.76Å; D32-R34 PolarHBondContact OD2-NE 3.07Å; D32-R34 IonicContact OD2-NH2 2.7Å; D32-R34 PolarHBondContact OD2-NH2 3.46Å; R34-D133 HydrophobicContact CG-CB 3.85Å; R34-D133 IonicContact NH1-OD2 2.9Å
35E94.6Very high93.3Very high66 Ų6678.8 Ų78.831%0.30840%0.398SS..PPolyproline II helixtrans-103.9158.1175.8-67.3168.5-15800109.4C33 K38 N137 Q139C33-E35 PolarHBondContact O-N 3.17Å; E35-K38 WeakPolarHBondContact OE2-CE 3.12Å; E35-K38 IonicContact OE2-NZ 2.72Å; E35-K38 PolarHBondContact OE2-NZ 3.03Å; E35-N137 HydrophobicContact CG-CB 4.32Å; E35-N137 PolarHBondContact N-O 2.89Å; E35-N137 PolarHBondContact OE1-ND2 2.84Å; E35-Q139 PolarHBondContact O-NE2 3.29Å
36P95.3Very high93.6Very high119 Ų11982.1 Ų82.177%0.77341%0.409SS*.PPolyproline II helixtrans-51.6145.7166.1-25.635.1000111.4K38 Q139P36-K38 PolarHBondContact O-N 2.89Å; P36-Q139 PolarHBondContact O-NE2 3.28Å
37L95.6Very high93.5Very high100 Ų10079.7 Ų79.752%0.52439%0.392SS..PPolyproline II helixtrans-63.4126.8-179.8-70.4174.5000110.4G138 Q141L37-G138 VanDerWaalsContact CD2-O 3.29Å; L37-G138 WeakPolarHBondContact CD2-O 3.39Å; L37-Q141 HydrophobicContact CD1-CG 4.36Å; L37-Q141 HydrophobicContact CD2-CG 4.03Å
38K94.5Very high93.6Very high131 Ų13180.4 Ų80.457%0.5740%0.395SS*.PPolyproline II helixtrans-78.5158.2171.8-66.4167.7-168.8164.30110E35 P36 K40E35-K38 WeakPolarHBondContact OE2-CE 3.12Å; E35-K38 IonicContact OE2-NZ 2.72Å; E35-K38 PolarHBondContact OE2-NZ 3.03Å; P36-K38 PolarHBondContact O-N 2.89Å; K38-K40 PolarHBondContact O-N 2.59Å
39V92.5Very high93.6Very high138 Ų13886.1 Ų86.184%0.83642%0.419SS*.PPolyproline II helixtrans-57.5131.2172.4-179.90000109
40K90.8Very high93.7Very high35 Ų3587.5 Ų87.515%0.15243%0.427CS..PPolyproline II helixtrans-67.9133.5-177.2-163.572.7167.6-177.20110K38 Y42 K289 A290 E294K38-K40 PolarHBondContact O-N 2.59Å; K40-Y42 HydrophobicContact CB-CE1 4.42Å; K40-Y42 HydrophobicContact CB-CE2 4.12Å; K40-Y42 HydrophobicContact CG-CD1 4.19Å; K40-Y42 HydrophobicContact CG-CE1 3.6Å; K40-Y42 HydrophobicContact CG-CE2 4.18Å; K40-K289 PolarHBondContact NZ-O 2.83Å; K40-K289 VanDerWaalsContact NZ-O 3.15Å; K40-A290 VanDerWaalsContact CE-CB 3.46Å; K40-E294 WeakPolarHBondContact CE-OE2 3.4Å; K40-E294 VanDerWaalsContact NZ-CD 3.28Å; K40-E294 IonicContact NZ-OE2 3.74Å; K40-E294 PolarHBondContact NZ-OE2 2.77Å
41V93.4Very high94Very high46 Ų4681.5 Ų81.528%0.27940%0.399SS..  trans-100.2110.5177.9-179.70000108.9E46 K47V41-E46 HydrophobicContact CG1-CB 3.81Å; V41-K47 HydrophobicContact CG1-CG 4.3Å
42Y91.1Very high94.3Very high93 Ų9377 Ų7737%0.36538%0.38SS..  trans-95.1-20.2176.8-61.3-62000113.5K40 K44 A290 R449K40-Y42 HydrophobicContact CB-CE1 4.42Å; K40-Y42 HydrophobicContact CB-CE2 4.12Å; K40-Y42 HydrophobicContact CG-CD1 4.19Å; K40-Y42 HydrophobicContact CG-CE1 3.6Å; K40-Y42 HydrophobicContact CG-CE2 4.18Å; Y42-K44 PolarHBondContact O-N 3.13Å; Y42-A290 HydrophobicContact CD1-CB 4.39Å; Y42-A290 HydrophobicContact CE1-CB 4.02Å; Y42-R449 HydrophobicContact CD1-CG 4.02Å; Y42-R449 HydrophobicContact CE1-CG 4.37Å; Y42-R449 HydrophobicContact CG-CG 4.24Å
43D92.1Very high94.6Very high80 Ų8075.9 Ų75.943%0.42837%0.372SS..  trans-63.9123.5-180-179-90.8000111.4K45 E46 K47D43-K45 VanDerWaalsContact C-N 3.34Å; D43-K45 PolarHBondContact O-N 3.34Å; D43-K45 VanDerWaalsContact OD1-CA 3.31Å; D43-K45 WeakPolarHBondContact OD1-CA 3.18Å; D43-K45 VanDerWaalsContact OD1-CB 3.25Å; D43-K45 WeakPolarHBondContact OD1-CB 3.07Å; D43-K45 PolarHBondContact OD1-N 2.8Å; D43-E46 HydrophobicContact CB-CB 4.29Å; D43-E46 HydrophobicContact CB-CG 4.15Å; D43-E46 PolarHBondContact O-N 2.98Å; D43-E46 PolarHBondContact OD1-N 3.11Å; D43-K47 PolarHBondContact O-N 3.23Å; D43-K47 VanDerWaalsContact O-N 3.1Å
44K90.4Very high94.7Very high83 Ų8374.8 Ų74.836%0.36137%0.366SS..Hα-helixtrans-70.1-31.1-176-69-176.4177.2-177.30112.3Y42 N48 T106 E111Y42-K44 PolarHBondContact O-N 3.13Å; K44-N48 VanDerWaalsContact O-CB 3.27Å; K44-N48 WeakPolarHBondContact O-CB 3.16Å; K44-N48 PolarHBondContact O-N 3.05Å; K44-N48 PolarHBondContact O-ND2 2.86Å; K44-T106 PolarHBondContact NZ-OG1 2.86Å; K44-E111 WeakPolarHBondContact CE-OE2 3.36Å; K44-E111 IonicContact NZ-OE2 2.68Å; K44-E111 PolarHBondContact NZ-OE2 3.05Å
45K93.4Very high94.9Very high160 Ų16071.5 Ų71.570%0.69635%0.354SS*.Hα-helixtrans-68.7-42.9179.4-63.7179.3179.4174.90109.8D43 N48 K49D43-K45 VanDerWaalsContact C-N 3.34Å; D43-K45 PolarHBondContact O-N 3.34Å; D43-K45 VanDerWaalsContact OD1-CA 3.31Å; D43-K45 WeakPolarHBondContact OD1-CA 3.18Å; D43-K45 VanDerWaalsContact OD1-CB 3.25Å; D43-K45 WeakPolarHBondContact OD1-CB 3.07Å; D43-K45 PolarHBondContact OD1-N 2.8Å; K45-N48 PolarHBondContact O-N 2.83Å; K45-K49 PolarHBondContact O-N 3.06Å
46E95.6Very high94.9Very high87 Ų8771 Ų7141%0.40736%0.356SS..Hα-helixtrans-61.8-48.8174.4-65.6-49.3120.100111.6V41 D43 N48 K49V41-E46 HydrophobicContact CG1-CB 3.81Å; D43-E46 HydrophobicContact CB-CB 4.29Å; D43-E46 HydrophobicContact CB-CG 4.15Å; D43-E46 PolarHBondContact O-N 2.98Å; D43-E46 PolarHBondContact OD1-N 3.11Å; E46-N48 VanDerWaalsContact C-N 3.28Å; E46-N48 PolarHBondContact O-N 3.2Å; E46-K49 WeakPolarHBondContact O-CB 3.35Å; E46-K49 PolarHBondContact O-N 3.42Å; E46-K49 VanDerWaalsContact O-N 3.11Å; E46-K49 VanDerWaalsContact OE1-CE 3.28Å; E46-K49 WeakPolarHBondContact OE1-CE 3.48Å; E46-K49 IonicContact OE1-NZ 3.72Å; E46-K49 PolarHBondContact OE1-NZ 3.2Å; E46-K49 WeakPolarHBondContact OE2-CE 3.25Å; E46-K49 IonicContact OE2-NZ 2.84Å; E46-K49 PolarHBondContact OE2-NZ 3.45Å
47K95.2Very high94.8Very high16 Ų1667.9 Ų67.97%0.0734%0.34CS..Hα-helixtrans-59.2-38.3175.1-71.3-177.264.3174.30112.9V41 D43 K49 I50 L51 S293 E294 Y297V41-K47 HydrophobicContact CG1-CG 4.3Å; D43-K47 PolarHBondContact O-N 3.23Å; D43-K47 VanDerWaalsContact O-N 3.1Å; K47-K49 PolarHBondContact O-N 2.85Å; K47-I50 PolarHBondContact O-N 3.02Å; K47-I50 VanDerWaalsContact O-N 3.1Å; K47-L51 HydrophobicContact CB-CD1 4.28Å; K47-L51 PolarHBondContact O-N 3.04Å; K47-S293 PolarHBondContact NZ-OG 2.81Å; K47-E294 WeakPolarHBondContact CE-OE1 3.38Å; K47-E294 IonicContact NZ-OE1 3.23Å; K47-E294 PolarHBondContact NZ-OE1 2.96Å; K47-Y297 HydrophobicContact CB-CD2 4.32Å; K47-Y297 HydrophobicContact CB-CE2 4.3Å; K47-Y297 HydrophobicContact CG-CD2 4.12Å; K47-Y297 HydrophobicContact CG-CE2 3.92Å
48N96.3Very high94.7Very high45 Ų4568.2 Ų68.224%0.24135%0.351CS..Hα-helixtrans-66.7-22.9179.8-73.5-28.8000113.2K44 K45 E46 I50 K52 R97K44-N48 VanDerWaalsContact O-CB 3.27Å; K44-N48 WeakPolarHBondContact O-CB 3.16Å; K44-N48 PolarHBondContact O-N 3.05Å; K44-N48 PolarHBondContact O-ND2 2.86Å; K45-N48 PolarHBondContact O-N 2.83Å; E46-N48 VanDerWaalsContact C-N 3.28Å; E46-N48 PolarHBondContact O-N 3.2Å; N48-I50 PolarHBondContact O-N 2.83Å; N48-K52 HydrophobicContact CB-CB 4.45Å; N48-K52 HydrophobicContact CB-CD 4.04Å; N48-K52 HydrophobicContact CB-CG 4.16Å; N48-K52 WeakPolarHBondContact O-CB 3.44Å; N48-K52 PolarHBondContact O-N 3.08Å; N48-K52 WeakPolarHBondContact OD1-CD 3.24Å; N48-R97 PolarHBondContact OD1-NH1 2.93Å
49K97.1Very high94.8Very high127 Ų12766.8 Ų66.855%0.55234%0.344SS*.Hα-helixtrans-60.7-30172.4-66.2175.6-175.9169.60111.8K45 E46 K47 Q53K45-K49 PolarHBondContact O-N 3.06Å; E46-K49 WeakPolarHBondContact O-CB 3.35Å; E46-K49 PolarHBondContact O-N 3.42Å; E46-K49 VanDerWaalsContact O-N 3.11Å; E46-K49 VanDerWaalsContact OE1-CE 3.28Å; E46-K49 WeakPolarHBondContact OE1-CE 3.48Å; E46-K49 IonicContact OE1-NZ 3.72Å; E46-K49 PolarHBondContact OE1-NZ 3.2Å; E46-K49 WeakPolarHBondContact OE2-CE 3.25Å; E46-K49 IonicContact OE2-NZ 2.84Å; E46-K49 PolarHBondContact OE2-NZ 3.45Å; K47-K49 PolarHBondContact O-N 2.85Å; K49-Q53 WeakPolarHBondContact O-CG 3.21Å; K49-Q53 PolarHBondContact O-NE2 2.94Å
50I97.7Very high95.1Very high34 Ų3461.7 Ų61.717%0.17431%0.313CS..Hα-helixtrans-92.3-51.1177-54.6-170000110.6K47 N48 K52 Q53 Y297 I300 P301K47-I50 PolarHBondContact O-N 3.02Å; K47-I50 VanDerWaalsContact O-N 3.1Å; N48-I50 PolarHBondContact O-N 2.83Å; I50-K52 PolarHBondContact O-N 2.77Å; I50-Q53 PolarHBondContact O-NE2 3.3Å; I50-Y297 HydrophobicContact CB-CD2 4.12Å; I50-Y297 HydrophobicContact CB-CE2 4.27Å; I50-Y297 HydrophobicContact CD1-CD2 3.93Å; I50-Y297 HydrophobicContact CD1-CE2 3.41Å; I50-Y297 VanDerWaalsContact CD1-CE2 3.41Å; I50-Y297 HydrophobicContact CG1-CD2 4.4Å; I50-Y297 HydrophobicContact CG1-CE2 4.06Å; I50-Y297 HydrophobicContact CG2-CD2 4.38Å; I50-I300 HydrophobicContact CG2-CB 3.74Å; I50-I300 HydrophobicContact CG2-CD1 4.08Å; I50-I300 HydrophobicContact CG2-CG2 3.63Å; I50-P301 HydrophobicContact CD1-CG 4.07Å; I50-P301 HydrophobicContact CG2-CG 4.4Å
51L97.8Very high95.4Very high9 Ų961.3 Ų61.35%0.04732%0.315CS..Hα-helixtrans-77.8-16.4-169.1-66.4172.9000115.3K47 A98 A296 I300K47-L51 HydrophobicContact CB-CD1 4.28Å; K47-L51 PolarHBondContact O-N 3.04Å; L51-A98 PolarHBondContact O-N 3.21Å; L51-A296 HydrophobicContact CD2-CB 3.75Å; L51-I300 HydrophobicContact CD2-CD1 4.12Å
52K97.6Very high95.4Very high66 Ų6665.4 Ų65.429%0.28734%0.335SS..THydrogen-bonded Turntrans-124.322.4-171.4-58.7-166.675.7179.60114.6N48 I50 G54 S96 R97 V312 R313N48-K52 HydrophobicContact CB-CB 4.45Å; N48-K52 HydrophobicContact CB-CD 4.04Å; N48-K52 HydrophobicContact CB-CG 4.16Å; N48-K52 WeakPolarHBondContact O-CB 3.44Å; N48-K52 PolarHBondContact O-N 3.08Å; N48-K52 WeakPolarHBondContact OD1-CD 3.24Å; I50-K52 PolarHBondContact O-N 2.77Å; K52-G54 PolarHBondContact O-N 2.8Å; K52-S96 WeakPolarHBondContact CE-O 3.42Å; K52-R97 HydrophobicContact CD-CG 4.11Å; K52-R97 HydrophobicContact CG-CG 3.99Å; K52-V312 VanDerWaalsContact C-CG2 3.43Å; K52-V312 WeakPolarHBondContact O-CG2 3.48Å; K52-R313 PolarHBondContact O-NH1 3.4Å; K52-R313 PolarHBondContact O-NH2 2.88Å
53Q97.7Very high95.7Very high44 Ų4467.6 Ų67.621%0.20635%0.353CS..  trans-61.1103.4179.6-66.1-170.866.600111.4K49 I50 E304 L311 V312K49-Q53 WeakPolarHBondContact O-CG 3.21Å; K49-Q53 PolarHBondContact O-NE2 2.94Å; I50-Q53 PolarHBondContact O-NE2 3.3Å; Q53-E304 PolarHBondContact NE2-OE1 3.41Å; Q53-L311 HydrophobicContact CB-CD2 4.48Å; Q53-L311 CarbonylContact O-C 3.52Å; Q53-L311 WeakPolarHBondContact O-CA 3.46Å; Q53-V312 VanDerWaalsContact O-CG2 3.31Å; Q53-V312 WeakPolarHBondContact O-CG2 3.46Å; Q53-V312 PolarHBondContact O-N 3.4Å
54G96.8Very high96Very high11 Ų1164.5 Ų64.511%0.11334%0.336CS..BIsolated β-bridgetrans-70.4144.8-175.200000112.9K52 V56 V312K52-G54 PolarHBondContact O-N 2.8Å; G54-V56 PolarHBondContact O-N 2.8Å; G54-V312 WeakPolarHBondContact CA-O 3.45Å
55F96.7Very high96.4Very high11 Ų1162.4 Ų62.45%0.04833%0.329CS..  trans-63.2127.1171.3-179.8-99.9000112.9V60 L92 L311 V312 A314 V332 K334 V339 I341F55-V60 HydrophobicContact CE2-CG2 3.72Å; F55-V60 HydrophobicContact CZ-CG2 4.38Å; F55-L92 HydrophobicContact CD2-CD2 4.03Å; F55-L92 HydrophobicContact CE2-CD2 4.24Å; F55-L311 HydrophobicContact CB-CB 4.17Å; F55-L311 HydrophobicContact CD2-CB 4.18Å; F55-L311 HydrophobicContact CD2-CD1 3.71Å; F55-L311 HydrophobicContact CE2-CD1 4.34Å; F55-V312 PolarHBondContact N-O 2.89Å; F55-A314 HydrophobicContact CB-CB 3.75Å; F55-A314 HydrophobicContact CD2-CB 4Å; F55-A314 HydrophobicContact CG-CB 3.85Å; F55-V332 HydrophobicContact CD1-CG1 3.91Å; F55-V332 HydrophobicContact CE1-CB 4.14Å; F55-V332 HydrophobicContact CE1-CG1 3.7Å; F55-V332 HydrophobicContact CE2-CG1 4.48Å; F55-V332 HydrophobicContact CE2-CG2 4.47Å; F55-V332 HydrophobicContact CG-CG1 4.4Å; F55-V332 HydrophobicContact CZ-CB 4.05Å; F55-V332 HydrophobicContact CZ-CG1 4.01Å; F55-V332 HydrophobicContact CZ-CG2 4.33Å; F55-K334 HydrophobicContact CD1-CD 4.46Å; F55-V339 HydrophobicContact CE1-CB 4.41Å; F55-V339 HydrophobicContact CE1-CG2 4.37Å; F55-V339 HydrophobicContact CZ-CB 4.23Å; F55-V339 HydrophobicContact CZ-CG1 4.11Å; F55-I341 HydrophobicContact CE2-CD1 3.71Å; F55-I341 HydrophobicContact CZ-CD1 4.02Å
56V94.5Very high96.7Very high56 Ų5654.9 Ų54.934%0.33930%0.296SS..  trans-144139.4166.6-1720000105.6G54 S58 K59G54-V56 PolarHBondContact O-N 2.8Å; V56-S58 PolarHBondContact O-N 2.97Å; V56-S58 VanDerWaalsContact O-N 3.14Å; V56-K59 HydrophobicContact CB-CG 4.41Å; V56-K59 WeakPolarHBondContact O-CB 3.17Å; V56-K59 PolarHBondContact O-N 3.31Å
57A93.6Very high96.8Very high53 Ų5350.7 Ų50.744%0.43828%0.277SS..G310 helixtrans-54-36.9-176.500000112.6K59 V60 V339A57-K59 PolarHBondContact O-N 3.36Å; A57-V60 WeakPolarHBondContact O-CB 3.47Å; A57-V60 WeakPolarHBondContact O-CG2 3.43Å; A57-V60 PolarHBondContact O-N 3.07Å; A57-V60 VanDerWaalsContact O-N 3.1Å; A57-V339 HydrophobicContact CB-CG1 4.18Å
58S94.7Very high97Very high108 Ų10850 Ų5076%0.75527%0.274SS*.G310 helixtrans-67.3-11.2176.663.30000115.4V56V56-S58 PolarHBondContact O-N 2.97Å; V56-S58 VanDerWaalsContact O-N 3.14Å
59K96.4Very high97.1Very high100 Ų10048.3 Ų48.344%0.43527%0.265SS..G310 helixtrans-95.5-2.9174.6-68.8-169.5170.7-165.10113V56 A57 P61 L311V56-K59 HydrophobicContact CB-CG 4.41Å; V56-K59 WeakPolarHBondContact O-CB 3.17Å; V56-K59 PolarHBondContact O-N 3.31Å; A57-K59 PolarHBondContact O-N 3.36Å; K59-P61 WeakPolarHBondContact O-CD 3.29Å; K59-L311 HydrophobicContact CB-CD1 4.15Å; K59-L311 HydrophobicContact CB-CD2 4.14Å; K59-L311 HydrophobicContact CD-CD2 4.34Å
60V97.4Very high97.2Very high31 Ų3142.9 Ų42.919%0.18825%0.245CC..SBendtrans-72.8121.3174.2176.20000108F55 A57 L64 L90 L311 I341F55-V60 HydrophobicContact CE2-CG2 3.72Å; F55-V60 HydrophobicContact CZ-CG2 4.38Å; A57-V60 WeakPolarHBondContact O-CB 3.47Å; A57-V60 WeakPolarHBondContact O-CG2 3.43Å; A57-V60 PolarHBondContact O-N 3.07Å; A57-V60 VanDerWaalsContact O-N 3.1Å; V60-L64 HydrophobicContact CG1-CD1 4.23Å; V60-L90 HydrophobicContact CG1-CD2 4.07Å; V60-L90 HydrophobicContact CG2-CD2 4.43Å; V60-L311 HydrophobicContact CG2-CD1 4.42Å; V60-I341 HydrophobicContact CG1-CG2 4Å; V60-I341 HydrophobicContact CG2-CD1 4.05Å; V60-I341 HydrophobicContact CG2-CG1 4.37Å
61P97.1Very high97.2Very high28 Ų2841.3 Ų41.318%0.18224%0.237CC..PPolyproline II helixtrans-64.8143.9176.4-19.531.7000111.6K59 L64 G307 A309K59-P61 WeakPolarHBondContact O-CD 3.29Å; P61-L64 HydrophobicContact CB-CD2 3.96Å; P61-L64 HydrophobicContact CG-CD2 4.2Å; P61-L64 WeakPolarHBondContact O-CG 3.45Å; P61-G307 WeakPolarHBondContact CB-O 3.16Å; P61-A309 HydrophobicContact CG-CB 3.77Å
62D95.2Very high97.2Very high131 Ų13141.5 Ų41.570%0.70124%0.242SC*.SBendtrans-74.1153.3171.3-63.3-45.6000111.8
63N96.4Very high97.2Very high139 Ų13938.9 Ų38.974%0.74323%0.231SC*.SBendtrans57.851.9174.7-53.9-61.8000113.3
64L98.6Very high97.3Very high16 Ų1636.8 Ų36.88%0.08422%0.221CC..  trans-64.3137.6176.2-64.5173000111.7V60 P61 L90 I341 A343 P344V60-L64 HydrophobicContact CG1-CD1 4.23Å; P61-L64 HydrophobicContact CB-CD2 3.96Å; P61-L64 HydrophobicContact CG-CD2 4.2Å; P61-L64 WeakPolarHBondContact O-CG 3.45Å; L64-L90 HydrophobicContact CD1-CB 3.81Å; L64-L90 HydrophobicContact CD1-CD2 3.93Å; L64-L90 HydrophobicContact CD2-CB 3.8Å; L64-L90 HydrophobicContact CG-CB 4.47Å; L64-I341 HydrophobicContact CD1-CG2 3.79Å; L64-A343 HydrophobicContact CB-CB 4.18Å; L64-P344 WeakPolarHBondContact O-CD 3.49Å
65D98.8Very high97.3Very high39 Ų3936.3 Ų36.321%0.20922%0.216CC..SBendtrans-83.5-30.8166.3-72.5-86.7000111.6K87 K88 P344 M345D65-K87 HydrophobicContact CB-CB 4.11Å; D65-K87 HydrophobicContact CB-CD 3.75Å; D65-K87 WeakPolarHBondContact OD1-CD 3.36Å; D65-K87 IonicContact OD1-NZ 2.84Å; D65-K87 PolarHBondContact OD1-NZ 2.87Å; D65-K87 WeakPolarHBondContact OD2-CA 3.42Å; D65-K88 PolarHBondContact N-O 2.96Å; D65-K88 PolarHBondContact OD2-N 3.02Å; D65-P344 VanDerWaalsContact O-CG 3.29Å; D65-P344 WeakPolarHBondContact O-CG 3.34Å; D65-M345 WeakPolarHBondContact O-CE 3.48Å
66A98.8Very high97.5Very high1 Ų135.8 Ų35.81%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-155.4152.2-179.700000112.3K88 V89 L90 M345 I347A66-K88 PolarHBondContact N-O 3.25Å; A66-V89 HydrophobicContact CB-CG1 4.46Å; A66-V89 HydrophobicContact CB-CG2 4.4Å; A66-V89 WeakPolarHBondContact O-CA 3.32Å; A66-L90 PolarHBondContact O-N 3.29Å; A66-M345 WeakPolarHBondContact CA-O 3.38Å; A66-M345 HydrophobicContact CB-CB 4.15Å; A66-M345 HydrophobicContact CB-CE 4.32Å; A66-I347 HydrophobicContact CB-CD1 4.02Å
67V98.9Very high97.7Very high0 Ų033.1 Ų33.10%020%0.198CC..EExtended strand (participates in β ladder)trans-116.5133.216465.90000110L90 L92 V330 A343 M345 V346 I347V67-L90 CarbonylContact C-O 3.47Å; V67-L90 WeakPolarHBondContact CA-O 3.47Å; V67-L90 HydrophobicContact CG2-CB 4.38Å; V67-L90 HydrophobicContact CG2-CD2 4.23Å; V67-L90 HydrophobicContact CG2-CG 4.38Å; V67-L92 HydrophobicContact CG2-CD1 3.69Å; V67-L92 HydrophobicContact CG2-CG 4.17Å; V67-V330 HydrophobicContact CG1-CG1 3.83Å; V67-V330 HydrophobicContact CG1-CG2 4.1Å; V67-V330 HydrophobicContact CG2-CG2 3.78Å; V67-A343 HydrophobicContact CB-CB 4.05Å; V67-A343 HydrophobicContact CG1-CB 3.91Å; V67-M345 PolarHBondContact N-O 2.89Å; V67-V346 HydrophobicContact CG1-CB 4.32Å; V67-V346 HydrophobicContact CG1-CG1 4.27Å; V67-V346 HydrophobicContact CG1-CG2 3.88Å; V67-I347 PolarHBondContact O-N 3.39Å
68I98.9Very high97.9Very high0 Ų030.6 Ų30.60%018%0.177CC..EExtended strand (participates in β ladder)trans-111.2128.2177.5-51.5-163.7000109.6L78 A79 V89 L90 V91 L92 I347I68-L78 HydrophobicContact CD1-CB 4.38Å; I68-L78 HydrophobicContact CD1-CD2 4.47Å; I68-L78 HydrophobicContact CD1-CG 4.26Å; I68-A79 HydrophobicContact CD1-CB 3.91Å; I68-V89 HydrophobicContact CD1-CG1 3.78Å; I68-V89 HydrophobicContact CG1-CG1 3.66Å; I68-L90 PolarHBondContact N-O 2.8Å; I68-V91 HydrophobicContact CB-CG1 4.48Å; I68-V91 HydrophobicContact CB-CG2 4.24Å; I68-V91 WeakPolarHBondContact O-CA 3.25Å; I68-L92 PolarHBondContact O-N 2.7Å; I68-I347 CarbonylContact C-O 3.06Å; I68-I347 VanDerWaalsContact CA-O 3.24Å; I68-I347 WeakPolarHBondContact CA-O 3.4Å; I68-I347 HydrophobicContact CD1-CD1 4.19Å; I68-I347 HydrophobicContact CG1-CB 4.12Å; I68-I347 HydrophobicContact CG1-CD1 4.08Å
69I98.9Very high98.1Very high10 Ų1025.5 Ų25.55%0.05114%0.141CC..EExtended strand (participates in β ladder)trans-94.9110177.5-48.6173000108.4V316 I319 V330 V346 I347 D349 A350 L359I69-V316 HydrophobicContact CD1-CG1 4.03Å; I69-V316 HydrophobicContact CG1-CG1 4.37Å; I69-V316 HydrophobicContact CG1-CG2 4.33Å; I69-V316 HydrophobicContact CG2-CB 3.93Å; I69-V316 HydrophobicContact CG2-CG1 4.35Å; I69-V316 HydrophobicContact CG2-CG2 4.01Å; I69-I319 HydrophobicContact CD1-CD1 4.18Å; I69-I319 HydrophobicContact CD1-CG1 3.86Å; I69-V330 HydrophobicContact CD1-CG1 3.83Å; I69-V330 HydrophobicContact CG1-CG1 4.06Å; I69-V346 HydrophobicContact CD1-CG1 3.92Å; I69-V346 HydrophobicContact CG1-CG1 4.43Å; I69-I347 PolarHBondContact N-O 3.37Å; I69-D349 CarbonylContact O-C 3.52Å; I69-D349 WeakPolarHBondContact O-CA 3.29Å; I69-D349 WeakPolarHBondContact O-CB 3.36Å; I69-D349 PolarHBondContact O-N 2.9Å; I69-A350 HydrophobicContact CG2-CB 4.24Å; I69-A350 PolarHBondContact O-N 3.45Å; I69-L359 HydrophobicContact CD1-CD1 3.99Å; I69-L359 HydrophobicContact CG2-CD1 4.09Å
70G98.5Very high98.2Very high14 Ų1420.7 Ų20.714%0.14412%0.12CC..  trans101.7135.7-178.600000113.2V91 L92G70-V91 WeakPolarHBondContact O-CG1 3.28Å; G70-L92 WeakPolarHBondContact CA-O 3.2Å; G70-L92 PolarHBondContact N-O 2.9Å
71S98.3Very high98.3Very high0 Ų019.2 Ų19.20%011%0.111CC..  trans-101.727.2175.371.90000113.1L76 E93 A98 G99 G100S71-L76 VanDerWaalsContact O-CD1 3.24Å; S71-L76 WeakPolarHBondContact O-CD1 3.33Å; S71-L76 WeakPolarHBondContact O-CG 3.45Å; S71-E93 WeakPolarHBondContact CB-OE2 3.26Å; S71-E93 PolarHBondContact N-OE2 2.61Å; S71-E93 WeakPolarHBondContact OG-CB 3.39Å; S71-E93 VanDerWaalsContact OG-CD 3.28Å; S71-E93 VanDerWaalsContact OG-CG 3.27Å; S71-E93 WeakPolarHBondContact OG-CG 3.28Å; S71-E93 PolarHBondContact OG-OE2 3.08Å; S71-A98 VanDerWaalsContact OG-CA 3.29Å; S71-A98 WeakPolarHBondContact OG-CA 3.34Å; S71-G99 CarbonylContact O-C 3.59Å; S71-G99 WeakPolarHBondContact O-CA 3.37Å; S71-G99 PolarHBondContact O-N 3.2Å; S71-G99 PolarHBondContact OG-N 3.27Å; S71-G100 PolarHBondContact O-N 3.35Å
72G97.8Very high98.4Very high14 Ų1417.9 Ų17.914%0.14410%0.103CC..SBendtrans-58.5165.3166.400000110.8G74 G75 L76 D349G72-G74 PolarHBondContact O-N 3.03Å; G72-G74 VanDerWaalsContact O-N 3.17Å; G72-G75 PolarHBondContact O-N 3.27Å; G72-L76 PolarHBondContact O-N 3.45Å; G72-D349 VanDerWaalsContact C-OD2 3.27Å; G72-D349 WeakPolarHBondContact CA-OD2 3.44Å; G72-D349 PolarHBondContact N-OD2 2.89Å
73V97.9Very high98.5Very high11 Ų1112 Ų127%0.0677%0.072CC..Hα-helixtrans-62.7-25.9-177750000112.2G77 I295 M299 F570 A573 L574V73-G77 WeakPolarHBondContact O-CA 3.28Å; V73-G77 PolarHBondContact O-N 2.9Å; V73-I295 HydrophobicContact CG2-CG2 4.21Å; V73-M299 HydrophobicContact CG2-CE 4.27Å; V73-F570 HydrophobicContact CB-CD2 4.15Å; V73-F570 HydrophobicContact CB-CE2 4.14Å; V73-F570 HydrophobicContact CG1-CD2 3.99Å; V73-F570 HydrophobicContact CG1-CE2 4.42Å; V73-F570 HydrophobicContact CG2-CD2 3.78Å; V73-F570 HydrophobicContact CG2-CE2 3.33Å; V73-F570 HydrophobicContact CG2-CZ 4.21Å; V73-A573 HydrophobicContact CG1-CB 3.44Å; V73-A573 VanDerWaalsContact CG1-CB 3.44Å; V73-L574 HydrophobicContact CG1-CG 4.33Å; V73-L574 HydrophobicContact CG2-CD1 4.06Å; V73-L574 HydrophobicContact CG2-CD2 3.65Å; V73-L574 HydrophobicContact CG2-CG 3.74Å
74G98.3Very high98.6Very high0 Ų08.1 Ų8.10%05%0.049CC..Hα-helixtrans-63-49.2171.900000111.7G72 L78 A577G72-G74 PolarHBondContact O-N 3.03Å; G72-G74 VanDerWaalsContact O-N 3.17Å; G74-L78 VanDerWaalsContact O-CB 3.31Å; G74-L78 WeakPolarHBondContact O-CB 3.3Å; G74-L78 PolarHBondContact O-N 2.89Å; G74-A577 WeakPolarHBondContact O-CB 3.49Å
75G98.7Very high98.6Very high0 Ų08.9 Ų8.90%05%0.054CC..Hα-helixtrans-67.5-48.9178.800000113G72 L78 A79 D349G72-G75 PolarHBondContact O-N 3.27Å; G75-L78 PolarHBondContact O-N 3.03Å; G75-A79 WeakPolarHBondContact O-CB 3.47Å; G75-A79 PolarHBondContact O-N 3.15Å; G75-D349 PolarHBondContact N-OD1 2.89Å; G75-D349 PolarHBondContact N-OD2 3.03Å
76L98.9Very high98.5Very high1 Ų19.7 Ų9.71%0.0057%0.072CC..Hα-helixtrans-64-43.7177.2-72176.1000111.9S71 G72 L78 A79 V80 V91 A296 M299 I300 I303 V310S71-L76 VanDerWaalsContact O-CD1 3.24Å; S71-L76 WeakPolarHBondContact O-CD1 3.33Å; S71-L76 WeakPolarHBondContact O-CG 3.45Å; G72-L76 PolarHBondContact O-N 3.45Å; L76-L78 VanDerWaalsContact C-N 3.34Å; L76-L78 PolarHBondContact O-N 3.06Å; L76-A79 PolarHBondContact O-N 3.17Å; L76-V80 WeakPolarHBondContact O-CG2 3.31Å; L76-V80 PolarHBondContact O-N 3.17Å; L76-V91 HydrophobicContact CD2-CG1 4.47Å; L76-A296 HydrophobicContact CD1-CB 3.72Å; L76-M299 HydrophobicContact CB-SD 3.83Å; L76-I300 HydrophobicContact CD2-CG1 4.29Å; L76-I303 HydrophobicContact CD2-CD1 4.12Å; L76-V310 HydrophobicContact CD2-CG1 4.23Å; L76-V310 HydrophobicContact CD2-CG2 4.19Å
77G98.7Very high98.5Very high0 Ų013.1 Ų13.10%09%0.086CC..Hα-helixtrans-59.7-44.7176.900000111.8V73 V80 L81V73-G77 WeakPolarHBondContact O-CA 3.28Å; V73-G77 PolarHBondContact O-N 2.9Å; G77-V80 PolarHBondContact O-N 3.3Å; G77-L81 WeakPolarHBondContact O-CG 3.45Å; G77-L81 PolarHBondContact O-N 2.94Å; G77-L81 VanDerWaalsContact O-N 3.09Å
78L98.9Very high98.5Very high0 Ų016.9 Ų16.90%010%0.103CC..Hα-helixtrans-67.8-41.6177179.356.1000112.4I68 G74 G75 L76 V80 L81 L82 I347 T561 A577 C580 I584I68-L78 HydrophobicContact CD1-CB 4.38Å; I68-L78 HydrophobicContact CD1-CD2 4.47Å; I68-L78 HydrophobicContact CD1-CG 4.26Å; G74-L78 VanDerWaalsContact O-CB 3.31Å; G74-L78 WeakPolarHBondContact O-CB 3.3Å; G74-L78 PolarHBondContact O-N 2.89Å; G75-L78 PolarHBondContact O-N 3.03Å; L76-L78 VanDerWaalsContact C-N 3.34Å; L76-L78 PolarHBondContact O-N 3.06Å; L78-V80 VanDerWaalsContact C-N 3.28Å; L78-V80 PolarHBondContact O-N 3.03Å; L78-L81 PolarHBondContact O-N 3.34Å; L78-L81 VanDerWaalsContact O-N 3.16Å; L78-L82 HydrophobicContact CD1-CD1 4.28Å; L78-L82 HydrophobicContact CD1-CG 4.1Å; L78-L82 HydrophobicContact CG-CD1 4.25Å; L78-L82 HydrophobicContact CG-CG 4.48Å; L78-L82 WeakPolarHBondContact O-CG 3.49Å; L78-L82 PolarHBondContact O-N 2.98Å; L78-I347 HydrophobicContact CD2-CD1 4.13Å; L78-I347 HydrophobicContact CD2-CG2 3.66Å; L78-T561 HydrophobicContact CD2-CG2 4.08Å; L78-A577 HydrophobicContact CB-CB 4.08Å; L78-C580 HydrophobicContact CD2-CB 3.88Å; L78-C580 VanDerWaalsContact CD2-SG 3.53Å; L78-I584 HydrophobicContact CD2-CD1 4.44Å
79A98.9Very high98.5Very high0 Ų016.9 Ų16.90%010%0.103CC..Hα-helixtrans-57.1-42.9174.800000111.5I68 G75 L76 L82 A83 V89 V91 I303I68-A79 HydrophobicContact CD1-CB 3.91Å; G75-A79 WeakPolarHBondContact O-CB 3.47Å; G75-A79 PolarHBondContact O-N 3.15Å; L76-A79 PolarHBondContact O-N 3.17Å; A79-L82 PolarHBondContact O-N 3.48Å; A79-A83 WeakPolarHBondContact O-CB 3.4Å; A79-A83 PolarHBondContact O-N 3.36Å; A79-V89 HydrophobicContact CB-CG1 4Å; A79-V91 HydrophobicContact CB-CG2 3.64Å; A79-I303 HydrophobicContact CB-CD1 3.46Å; A79-I303 VanDerWaalsContact CB-CD1 3.46Å; A79-I303 HydrophobicContact CB-CG1 3.86Å
80V98.9Very high98.5Very high0 Ų016.4 Ų16.40%010%0.1CC..Hα-helixtrans-62.5-44.6175.3169.10000111.8L76 G77 L78 L82 A83 K84 M135 M299 I302 I303L76-V80 WeakPolarHBondContact O-CG2 3.31Å; L76-V80 PolarHBondContact O-N 3.17Å; G77-V80 PolarHBondContact O-N 3.3Å; L78-V80 VanDerWaalsContact C-N 3.28Å; L78-V80 PolarHBondContact O-N 3.03Å; V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 3.3Å; V80-A83 PolarHBondContact O-N 3.06Å; V80-K84 HydrophobicContact CG1-CD 4.22Å; V80-K84 HydrophobicContact CG1-CG 4.46Å; V80-K84 WeakPolarHBondContact O-CG 3.49Å; V80-K84 PolarHBondContact O-N 2.98Å; V80-M135 HydrophobicContact CG1-CB 4.27Å; V80-M135 HydrophobicContact CG1-CG 4.43Å; V80-M299 HydrophobicContact CG2-CB 3.77Å; V80-M299 HydrophobicContact CG2-CG 4.07Å; V80-I302 HydrophobicContact CG1-CD1 4.14Å; V80-I302 HydrophobicContact CG1-CG2 4.05Å; V80-I302 HydrophobicContact CG2-CB 4.39Å; V80-I303 HydrophobicContact CG2-CD1 4.18Å; V80-I303 HydrophobicContact CG2-CG1 3.94Å
81L98.7Very high98.5Very high0 Ų015.7 Ų15.70%09%0.093CC..Hα-helixtrans-60.4-43.1178.4-68.3172.9000111.9P28 F29 G77 L78 M135 L589P28-L81 HydrophobicContact CB-CD2 4.05Å; P28-L81 HydrophobicContact CG-CB 4.46Å; P28-L81 HydrophobicContact CG-CD2 3.87Å; F29-L81 HydrophobicContact CE1-CD2 4.19Å; F29-L81 HydrophobicContact CE2-CD2 3.74Å; F29-L81 HydrophobicContact CZ-CD2 3.44Å; F29-L81 VanDerWaalsContact CZ-CD2 3.44Å; G77-L81 WeakPolarHBondContact O-CG 3.45Å; G77-L81 PolarHBondContact O-N 2.94Å; G77-L81 VanDerWaalsContact O-N 3.09Å; L78-L81 PolarHBondContact O-N 3.34Å; L78-L81 VanDerWaalsContact O-N 3.16Å; L81-M135 HydrophobicContact CD1-CE 3.75Å; L81-M135 HydrophobicContact CD2-CE 3.81Å; L81-M135 HydrophobicContact CG-CE 3.82Å; L81-L589 HydrophobicContact CD1-CD1 4.02Å
82L98.8Very high98.5Very high0 Ų015.8 Ų15.80%09%0.094CC..Hα-helixtrans-68.4-43176.8-65.6179.7000111.5L78 A79 V80 K84 V85 G86 K87 V89 I347 I584 L585L78-L82 HydrophobicContact CD1-CD1 4.28Å; L78-L82 HydrophobicContact CD1-CG 4.1Å; L78-L82 HydrophobicContact CG-CD1 4.25Å; L78-L82 HydrophobicContact CG-CG 4.48Å; L78-L82 WeakPolarHBondContact O-CG 3.49Å; L78-L82 PolarHBondContact O-N 2.98Å; A79-L82 PolarHBondContact O-N 3.48Å; V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 3.3Å; L82-K84 VanDerWaalsContact C-N 3.3Å; L82-K84 PolarHBondContact O-N 3.28Å; L82-V85 CarbonylContact O-C 3.39Å; L82-V85 WeakPolarHBondContact O-CG2 3.23Å; L82-V85 PolarHBondContact O-N 2.68Å; L82-V85 VanDerWaalsContact O-N 3.09Å; L82-G86 PolarHBondContact O-N 3.04Å; L82-K87 HydrophobicContact CB-CB 3.96Å; L82-K87 HydrophobicContact CB-CG 4.37Å; L82-K87 VanDerWaalsContact O-CB 3.3Å; L82-K87 WeakPolarHBondContact O-CB 3.48Å; L82-K87 PolarHBondContact O-N 2.87Å; L82-K87 VanDerWaalsContact O-N 3.08Å; L82-V89 HydrophobicContact CB-CG2 3.73Å; L82-V89 HydrophobicContact CD1-CG2 4.03Å; L82-I347 HydrophobicContact CD1-CD1 4Å; L82-I584 HydrophobicContact CD2-CG2 3.84Å; L82-L585 HydrophobicContact CD2-CD2 3.84Å; L82-L585 HydrophobicContact CD2-CG 4.2Å
83A98.7Very high98.6Very high8 Ų815.8 Ų15.87%0.0669%0.09CC..Hα-helixtrans-58.9-39.5176.700000112.3A79 V80 V85 G86 A306A79-A83 WeakPolarHBondContact O-CB 3.4Å; A79-A83 PolarHBondContact O-N 3.36Å; V80-A83 PolarHBondContact O-N 3.06Å; A83-V85 PolarHBondContact O-N 3.21Å; A83-G86 PolarHBondContact O-N 3.16Å; A83-A306 HydrophobicContact CB-CB 3.63Å
84K98Very high98.5Very high56 Ų5619.5 Ų19.524%0.24311%0.106CC..Hα-helixtrans-64.2-20.8177.6-77.1-178.8-174.8-700114.1P28 C33 V80 L82 Q134 N137 I302P28-K84 HydrophobicContact CB-CB 3.92Å; P28-K84 HydrophobicContact CB-CD 4.45Å; C33-K84 PolarHBondContact SG-NZ 3.45Å; V80-K84 HydrophobicContact CG1-CD 4.22Å; V80-K84 HydrophobicContact CG1-CG 4.46Å; V80-K84 WeakPolarHBondContact O-CG 3.49Å; V80-K84 PolarHBondContact O-N 2.98Å; L82-K84 VanDerWaalsContact C-N 3.3Å; L82-K84 PolarHBondContact O-N 3.28Å; K84-Q134 WeakPolarHBondContact CE-O 3.3Å; K84-Q134 PolarHBondContact NZ-O 3.15Å; K84-N137 PolarHBondContact NZ-OD1 3.14Å; K84-I302 HydrophobicContact CG-CG2 4.27Å
85V97.8Very high98.3Very high33 Ų3320.6 Ų20.620%0.211%0.112CC..THydrogen-bonded Turntrans-103.520.5172.9-59.30000112.4P26 P28 L82 A83 K87 L585P26-V85 HydrophobicContact CB-CB 3.88Å; P26-V85 HydrophobicContact CB-CG1 3.75Å; P26-V85 HydrophobicContact CG-CB 3.9Å; P26-V85 HydrophobicContact CG-CG1 4.03Å; P26-V85 HydrophobicContact CG-CG2 4.12Å; P28-V85 HydrophobicContact CB-CG1 4.04Å; L82-V85 CarbonylContact O-C 3.39Å; L82-V85 WeakPolarHBondContact O-CG2 3.23Å; L82-V85 PolarHBondContact O-N 2.68Å; L82-V85 VanDerWaalsContact O-N 3.09Å; A83-V85 PolarHBondContact O-N 3.21Å; V85-K87 HydrophobicContact CG2-CG 4.12Å; V85-L585 HydrophobicContact CG1-CD1 4.34Å; V85-L585 HydrophobicContact CG2-CD1 4.04Å; V85-L585 HydrophobicContact CG2-CD2 3.85Å
86G97.6Very high98.1Very high56 Ų5622.5 Ų22.558%0.57713%0.125SC*.THydrogen-bonded Turntrans83.612.317100000115.4L82 A83L82-G86 PolarHBondContact O-N 3.04Å; A83-G86 PolarHBondContact O-N 3.16Å
87K98.5Very high97.9Very high72 Ų7225.1 Ų25.131%0.31314%0.135SC..  trans-81.8136.2179.3-61.7-69.3-177.1-173.60111.8D65 L82 V85 V89D65-K87 HydrophobicContact CB-CB 4.11Å; D65-K87 HydrophobicContact CB-CD 3.75Å; D65-K87 WeakPolarHBondContact OD1-CD 3.36Å; D65-K87 IonicContact OD1-NZ 2.84Å; D65-K87 PolarHBondContact OD1-NZ 2.87Å; D65-K87 WeakPolarHBondContact OD2-CA 3.42Å; L82-K87 HydrophobicContact CB-CB 3.96Å; L82-K87 HydrophobicContact CB-CG 4.37Å; L82-K87 VanDerWaalsContact O-CB 3.3Å; L82-K87 WeakPolarHBondContact O-CB 3.48Å; L82-K87 PolarHBondContact O-N 2.87Å; L82-K87 VanDerWaalsContact O-N 3.08Å; V85-K87 HydrophobicContact CG2-CG 4.12Å; K87-V89 HydrophobicContact CB-CG2 4.24Å
88K98.7Very high97.9Very high79 Ų7925.3 Ų25.334%0.34314%0.136SC..  trans-85.7110.7172.9-68.5-178.5-177.7179.60110D65 A66D65-K88 PolarHBondContact N-O 2.96Å; D65-K88 PolarHBondContact OD2-N 3.02Å; A66-K88 PolarHBondContact N-O 3.25Å
89V98.8Very high97.7Very high0 Ų025.3 Ų25.30%014%0.137CC..EExtended strand (participates in β ladder)trans-118.9130.6-174.6-175.90000110.6A66 I68 A79 L82 K87 V91 G308 A309A66-V89 HydrophobicContact CB-CG1 4.46Å; A66-V89 HydrophobicContact CB-CG2 4.4Å; A66-V89 WeakPolarHBondContact O-CA 3.32Å; I68-V89 HydrophobicContact CD1-CG1 3.78Å; I68-V89 HydrophobicContact CG1-CG1 3.66Å; A79-V89 HydrophobicContact CB-CG1 4Å; L82-V89 HydrophobicContact CB-CG2 3.73Å; L82-V89 HydrophobicContact CD1-CG2 4.03Å; K87-V89 HydrophobicContact CB-CG2 4.24Å; V89-V91 HydrophobicContact CG1-CG2 4.42Å; V89-G308 CarbonylContact O-C 3.35Å; V89-G308 WeakPolarHBondContact O-CA 3.44Å; V89-A309 PolarHBondContact O-N 2.94Å
90L98.9Very high97.5Very high0 Ų026 Ų260%014%0.144CC..EExtended strand (participates in β ladder)trans-100.4125.4169.1176.966.2000109.9V60 L64 A66 V67 I68 L92 A309 L311 I341V60-L90 HydrophobicContact CG1-CD2 4.07Å; V60-L90 HydrophobicContact CG2-CD2 4.43Å; L64-L90 HydrophobicContact CD1-CB 3.81Å; L64-L90 HydrophobicContact CD1-CD2 3.93Å; L64-L90 HydrophobicContact CD2-CB 3.8Å; L64-L90 HydrophobicContact CG-CB 4.47Å; A66-L90 PolarHBondContact O-N 3.29Å; V67-L90 CarbonylContact C-O 3.47Å; V67-L90 WeakPolarHBondContact CA-O 3.47Å; V67-L90 HydrophobicContact CG2-CB 4.38Å; V67-L90 HydrophobicContact CG2-CD2 4.23Å; V67-L90 HydrophobicContact CG2-CG 4.38Å; I68-L90 PolarHBondContact N-O 2.8Å; L90-L92 HydrophobicContact CD1-CD2 4.14Å; L90-L92 HydrophobicContact CD2-CD1 4.34Å; L90-L92 HydrophobicContact CD2-CD2 3.84Å; L90-L92 HydrophobicContact CD2-CG 4.13Å; L90-L92 HydrophobicContact CG-CD2 3.92Å; L90-L92 HydrophobicContact CG-CG 4.09Å; L90-A309 CarbonylContact C-O 3.32Å; L90-A309 WeakPolarHBondContact CA-O 3.45Å; L90-A309 HydrophobicContact CD1-CB 3.87Å; L90-L311 HydrophobicContact CD1-CD1 3.81Å; L90-L311 HydrophobicContact CD1-CG 4Å; L90-I341 HydrophobicContact CD2-CD1 3.98Å; L90-I341 HydrophobicContact CD2-CG2 3.83Å
91V98.9Very high97.3Very high0 Ų028.4 Ų28.40%016%0.16CC..EExtended strand (participates in β ladder)trans-105.7127.5171.4-1740000109I68 G70 L76 A79 V89 I303 A309 V310 L311I68-V91 HydrophobicContact CB-CG1 4.48Å; I68-V91 HydrophobicContact CB-CG2 4.24Å; I68-V91 WeakPolarHBondContact O-CA 3.25Å; G70-V91 WeakPolarHBondContact O-CG1 3.28Å; L76-V91 HydrophobicContact CD2-CG1 4.47Å; A79-V91 HydrophobicContact CB-CG2 3.64Å; V89-V91 HydrophobicContact CG1-CG2 4.42Å; V91-I303 HydrophobicContact CG2-CD1 4.45Å; V91-A309 PolarHBondContact N-O 3.36Å; V91-V310 HydrophobicContact CB-CB 4.34Å; V91-V310 HydrophobicContact CB-CG1 4.14Å; V91-V310 HydrophobicContact CB-CG2 3.96Å; V91-V310 HydrophobicContact CG1-CG1 4.33Å; V91-V310 HydrophobicContact CG2-CG2 4.05Å; V91-V310 WeakPolarHBondContact O-CA 3.46Å; V91-L311 PolarHBondContact O-N 2.95Å
92L98.8Very high97.2Very high2 Ų228.7 Ų28.71%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-112.4124.1-179.7-62.4171.7000110.1F55 V67 I68 G70 L90 L311 A314 V316 V330 V332 I341F55-L92 HydrophobicContact CD2-CD2 4.03Å; F55-L92 HydrophobicContact CE2-CD2 4.24Å; V67-L92 HydrophobicContact CG2-CD1 3.69Å; V67-L92 HydrophobicContact CG2-CG 4.17Å; I68-L92 PolarHBondContact O-N 2.7Å; G70-L92 WeakPolarHBondContact CA-O 3.2Å; G70-L92 PolarHBondContact N-O 2.9Å; L90-L92 HydrophobicContact CD1-CD2 4.14Å; L90-L92 HydrophobicContact CD2-CD1 4.34Å; L90-L92 HydrophobicContact CD2-CD2 3.84Å; L90-L92 HydrophobicContact CD2-CG 4.13Å; L90-L92 HydrophobicContact CG-CD2 3.92Å; L90-L92 HydrophobicContact CG-CG 4.09Å; L92-L311 HydrophobicContact CD2-CB 4.27Å; L92-A314 HydrophobicContact CB-CB 4.05Å; L92-A314 HydrophobicContact CD2-CB 3.78Å; L92-A314 HydrophobicContact CG-CB 4.46Å; L92-V316 HydrophobicContact CB-CG2 4.01Å; L92-V316 HydrophobicContact CD1-CG2 3.69Å; L92-V330 HydrophobicContact CD1-CG2 3.63Å; L92-V332 HydrophobicContact CD1-CG2 3.68Å; L92-I341 HydrophobicContact CD1-CD1 3.96Å; L92-I341 HydrophobicContact CD2-CD1 4.31Å
93E98.2Very high96.9Very high13 Ų1329.2 Ų29.26%0.06116%0.164CC..EExtended strand (participates in β ladder)trans-118.3126.6-178172.553.7-116.900110.5S71 H95 L311 V312 R313 A314S71-E93 WeakPolarHBondContact CB-OE2 3.26Å; S71-E93 PolarHBondContact N-OE2 2.61Å; S71-E93 WeakPolarHBondContact OG-CB 3.39Å; S71-E93 VanDerWaalsContact OG-CD 3.28Å; S71-E93 VanDerWaalsContact OG-CG 3.27Å; S71-E93 WeakPolarHBondContact OG-CG 3.28Å; S71-E93 PolarHBondContact OG-OE2 3.08Å; E93-H95 VanDerWaalsContact C-N 3.34Å; E93-H95 HydrophobicContact CG-CB 4.17Å; E93-H95 VanDerWaalsContact OE1-CB 3.26Å; E93-H95 WeakPolarHBondContact OE1-CB 3.46Å; E93-H95 PolarHBondContact OE1-N 2.87Å; E93-L311 PolarHBondContact N-O 3.46Å; E93-V312 HydrophobicContact CB-CB 4.44Å; E93-V312 HydrophobicContact CB-CG1 4.1Å; E93-V312 HydrophobicContact CG-CB 4.5Å; E93-V312 HydrophobicContact CG-CG1 4.14Å; E93-V312 CarbonylContact O-C 3.55Å; E93-V312 WeakPolarHBondContact O-CA 3.4Å; E93-R313 PolarHBondContact O-N 2.98Å; E93-A314 PolarHBondContact O-N 2.98Å
94Q95.8Very high96.7Very high89 Ų8929.3 Ų29.342%0.41616%0.164SC..SBendtrans-67.2-36.817966.2171.927.900112.4P315 H522Q94-P315 HydrophobicContact CB-CB 4.17Å; Q94-H522 PolarHBondContact NE2-O 3.01Å
95H94.9Very high96.5Very high23 Ų2329 Ų2911%0.10616%0.162CC..SBendtrans-73.2173.1-174.7-174.3-113.7000111.5E93 R97 V312 R313 Y523E93-H95 VanDerWaalsContact C-N 3.34Å; E93-H95 HydrophobicContact CG-CB 4.17Å; E93-H95 VanDerWaalsContact OE1-CB 3.26Å; E93-H95 WeakPolarHBondContact OE1-CB 3.46Å; E93-H95 PolarHBondContact OE1-N 2.87Å; H95-R97 VanDerWaalsContact C-N 3.25Å; H95-R97 PolarHBondContact ND1-N 3.46Å; H95-R97 PolarHBondContact ND1-O 3.05Å; H95-R97 PolarHBondContact O-N 3.1Å; H95-V312 WeakPolarHBondContact O-CB 3.33Å; H95-R313 PolarHBondContact O-N 2.89Å; H95-Y523 AromaticContact CD2-CD1 3.57Å; H95-Y523 AromaticContact NE2-CD1 3.36Å; H95-Y523 WeakPolarHBondContact NE2-CD1 3.3Å; H95-Y523 AromaticContact NE2-CE1 3.63Å
96S94.2Very high96.3Very high41 Ų4130 Ų3029%0.28717%0.169SC..SBendtrans-80.2-4179.671.50000114.6K52 R313K52-S96 WeakPolarHBondContact CE-O 3.42Å; S96-R313 PolarHBondContact O-NH1 2.92Å
97R95.3Very high96Very high56 Ų5631.1 Ų31.121%0.21116%0.159CC..SBendtrans-145.5141.3-175.4-63.9-179.8176.8-87.60.5109.4N48 K52 H95N48-R97 PolarHBondContact OD1-NH1 2.93Å; K52-R97 HydrophobicContact CD-CG 4.11Å; K52-R97 HydrophobicContact CG-CG 3.99Å; H95-R97 VanDerWaalsContact C-N 3.25Å; H95-R97 PolarHBondContact ND1-N 3.46Å; H95-R97 PolarHBondContact ND1-O 3.05Å; H95-R97 PolarHBondContact O-N 3.1Å
98A97.8Very high95.8Very high3 Ų334.6 Ų34.63%0.02518%0.175CC..SBendtrans-76.4153.2174.200000112.2L51 S71 I300 V310 V312L51-A98 PolarHBondContact O-N 3.21Å; S71-A98 VanDerWaalsContact OG-CA 3.29Å; S71-A98 WeakPolarHBondContact OG-CA 3.34Å; A98-I300 HydrophobicContact CB-CD1 3.9Å; A98-V310 HydrophobicContact CB-CG1 4.05Å; A98-V312 HydrophobicContact CB-CG1 4.02Å
99G96Very high95.4Very high1 Ų132.7 Ų32.71%0.0118%0.177CC..SBendtrans124.6-5.2169.200000116.1S71 C101 C102S71-G99 CarbonylContact O-C 3.59Å; S71-G99 WeakPolarHBondContact O-CA 3.37Å; S71-G99 PolarHBondContact O-N 3.2Å; S71-G99 PolarHBondContact OG-N 3.27Å; G99-C101 PolarHBondContact O-N 3.45Å; G99-C102 WeakPolarHBondContact O-CA 3.21Å; G99-C102 VanDerWaalsContact O-CB 3.3Å; G99-C102 WeakPolarHBondContact O-CB 3.38Å; G99-C102 PolarHBondContact O-N 2.95Å
100G95.1Very high95.2Very high14 Ų1432.8 Ų32.814%0.14418%0.177CC..G310 helixtrans52.4-129.4-174.500000111S71 C102 H103S71-G100 PolarHBondContact O-N 3.35Å; G100-C102 PolarHBondContact O-N 3.32Å; G100-C102 VanDerWaalsContact O-N 3.11Å; G100-H103 PolarHBondContact O-ND1 2.95Å
101C94.7Very high95Very high50 Ų5033.5 Ų33.534%0.33818%0.181SC..G310 helixtrans-69.1-3.2175.7-60.20000115.3G99 H103 G115G99-C101 PolarHBondContact O-N 3.45Å; C101-H103 VanDerWaalsContact C-N 3.34Å; C101-G115 PolarHBondContact O-N 3.25Å
102C95.5Very high94.9Very high6 Ų633.5 Ų33.54%0.04118%0.181CC..G310 helixtrans-97.335.7176.2-55.50000112.1G99 G100 I116 S292 S293 I295G99-C102 WeakPolarHBondContact O-CA 3.21Å; G99-C102 VanDerWaalsContact O-CB 3.3Å; G99-C102 WeakPolarHBondContact O-CB 3.38Å; G99-C102 PolarHBondContact O-N 2.95Å; G100-C102 PolarHBondContact O-N 3.32Å; G100-C102 VanDerWaalsContact O-N 3.11Å; C102-I116 HydrophobicContact CB-CG1 4.5Å; C102-S292 CarbonylContact O-C 3.46Å; C102-S292 VanDerWaalsContact O-O 3.12Å; C102-S293 WeakPolarHBondContact O-CA 3.32Å; C102-I295 HydrophobicContact CB-CB 4.35Å; C102-I295 HydrophobicContact CB-CD1 3.98Å; C102-I295 HydrophobicContact CB-CG2 4.45Å
103H93.1Very high94.6Very high11 Ų1133.5 Ų33.55%0.05118%0.181CC..  trans-115165.8174.181-92.4000111.6G100 C101 V114 S292G100-H103 PolarHBondContact O-ND1 2.95Å; C101-H103 VanDerWaalsContact C-N 3.34Å; H103-V114 VanDerWaalsContact CE1-CG2 3.4Å; H103-V114 WeakPolarHBondContact CE1-CG2 3.46Å; H103-V114 WeakPolarHBondContact ND1-CG2 3.3Å; H103-V114 WeakPolarHBondContact O-CG2 3.47Å; H103-V114 PolarHBondContact O-N 3.44Å; H103-S292 PolarHBondContact O-OG 2.62Å
104T93.7Very high94.2Very high11 Ų1134.2 Ų34.27%0.06719%0.186CC..EExtended strand (participates in β ladder)trans-119.6152.9171.760.30000110.6E111 F112 D113T104-E111 HydrophobicContact CG2-CG 4.35Å; T104-F112 WeakPolarHBondContact CA-O 3.32Å; T104-F112 WeakPolarHBondContact CB-O 3.34Å; T104-D113 WeakPolarHBondContact CG2-OD1 3.36Å
105F93.3Very high93.9Very high48 Ų4831.4 Ų31.421%0.21118%0.181CC..EExtended strand (participates in β ladder)trans-120.3163.4165.674.2-84.7000110.2E107 E111 F112 V114 F387F105-E107 HydrophobicContact CD2-CB 4.26Å; F105-E107 HydrophobicContact CE2-CB 4.09Å; F105-E111 WeakPolarHBondContact O-CA 3.48Å; F105-F112 HydrophobicContact CD1-CB 4.14Å; F105-F112 HydrophobicContact CD2-CD2 4.45Å; F105-F112 HydrophobicContact CE1-CB 3.61Å; F105-F112 HydrophobicContact CE1-CD2 4.32Å; F105-F112 HydrophobicContact CE1-CG 4.32Å; F105-F112 HydrophobicContact CE2-CB 4.5Å; F105-F112 AromaticContact CE2-CD2 3.73Å; F105-F112 HydrophobicContact CE2-CD2 3.73Å; F105-F112 HydrophobicContact CE2-CE2 4.46Å; F105-F112 HydrophobicContact CE2-CG 4.5Å; F105-F112 HydrophobicContact CZ-CB 3.81Å; F105-F112 AromaticContact CZ-CD2 3.65Å; F105-F112 HydrophobicContact CZ-CD2 3.65Å; F105-F112 HydrophobicContact CZ-CG 4.01Å; F105-F112 PolarHBondContact N-O 2.82Å; F105-F112 VanDerWaalsContact N-O 3.08Å; F105-F112 PolarHBondContact O-N 3.5Å; F105-V114 HydrophobicContact CD1-CG1 3.63Å; F105-V114 HydrophobicContact CE1-CG1 3.99Å; F105-F387 AromaticContact CE1-CD1 3.99Å; F105-F387 HydrophobicContact CE1-CD1 3.99Å; F105-F387 HydrophobicContact CE1-CD2 4.07Å; F105-F387 AromaticContact CE1-CE1 3.84Å; F105-F387 HydrophobicContact CE1-CE1 3.84Å; F105-F387 AromaticContact CE1-CE2 3.92Å; F105-F387 HydrophobicContact CE1-CE2 3.92Å; F105-F387 HydrophobicContact CE1-CG 4.09Å; F105-F387 AromaticContact CE1-CZ 3.8Å; F105-F387 HydrophobicContact CE1-CZ 3.8Å; F105-F387 HydrophobicContact CZ-CB 4.2Å; F105-F387 HydrophobicContact CZ-CD1 4.01Å; F105-F387 AromaticContact CZ-CD2 3.68Å; F105-F387 HydrophobicContact CZ-CD2 3.68Å; F105-F387 HydrophobicContact CZ-CE1 4.29Å; F105-F387 AromaticContact CZ-CE2 3.98Å; F105-F387 HydrophobicContact CZ-CE2 3.98Å; F105-F387 AromaticContact CZ-CG 3.68Å; F105-F387 HydrophobicContact CZ-CG 3.68Å; F105-F387 HydrophobicContact CZ-CZ 4.27Å
106T93.4Very high93.7Very high56 Ų5631 Ų3134%0.34418%0.179SC..EExtended strand (participates in β ladder)trans-128.8127.7177.9-57.60000109K44 F110K44-T106 PolarHBondContact NZ-OG1 2.86Å; T106-F110 CarbonylContact C-O 3.43Å; T106-F110 WeakPolarHBondContact CA-O 3.22Å; T106-F110 WeakPolarHBondContact CG2-O 3.14Å
107E93.3Very high93.7Very high79 Ų7930.3 Ų30.337%0.36917%0.172SC..EExtended strand (participates in β ladder)trans-139.2136.3178.1-169.751.8-103.900109.3F105 G109 F110 Y511F105-E107 HydrophobicContact CD2-CB 4.26Å; F105-E107 HydrophobicContact CE2-CB 4.09Å; E107-G109 PolarHBondContact O-N 3.21Å; E107-F110 PolarHBondContact N-O 3.43Å; E107-F110 PolarHBondContact O-N 3.09Å; E107-Y511 HydrophobicContact CB-CE1 4.24Å; E107-Y511 HydrophobicContact CB-CE2 4.07Å; E107-Y511 HydrophobicContact CG-CD2 3.91Å; E107-Y511 HydrophobicContact CG-CE1 4.31Å; E107-Y511 HydrophobicContact CG-CE2 3.26Å; E107-Y511 VanDerWaalsContact CG-CZ 3.49Å
108K92.6Very high93.8Very high145 Ų14528.3 Ų28.363%0.6316%0.164SC*.THydrogen-bonded Turntrans4631-175.4-57.5-60.7179.7177.20115.4F110 Y511K108-F110 HydrophobicContact CB-CD2 4.29Å; K108-F110 WeakPolarHBondContact O-CD2 3.44Å; K108-Y511 HydrophobicContact CB-CD2 4.44Å; K108-Y511 HydrophobicContact CG-CD2 3.89Å; K108-Y511 HydrophobicContact CG-CG 4.5Å
109G91.2Very high93.7Very high38 Ų3828.4 Ų28.439%0.39216%0.164SC..THydrogen-bonded Turntrans77.815.9-179.400000115.1E107 K453E107-G109 PolarHBondContact O-N 3.21Å; G109-K453 PolarHBondContact O-NZ 3.08Å
110F95.4Very high93.7Very high3 Ų328.3 Ų28.31%0.01316%0.163CC..EExtended strand (participates in β ladder)trans-109.3137.4169.9-62.2-85.2000109.8T106 E107 K108 F112 L390 K453 S454 T455 V510T106-F110 CarbonylContact C-O 3.43Å; T106-F110 WeakPolarHBondContact CA-O 3.22Å; T106-F110 WeakPolarHBondContact CG2-O 3.14Å; E107-F110 PolarHBondContact N-O 3.43Å; E107-F110 PolarHBondContact O-N 3.09Å; K108-F110 HydrophobicContact CB-CD2 4.29Å; K108-F110 WeakPolarHBondContact O-CD2 3.44Å; F110-F112 HydrophobicContact CB-CD2 4.38Å; F110-F112 HydrophobicContact CB-CE2 3.51Å; F110-F112 HydrophobicContact CB-CZ 3.62Å; F110-F112 HydrophobicContact CG-CZ 4.36Å; F110-L390 VanDerWaalsContact CE1-N 3.34Å; F110-L390 VanDerWaalsContact CE1-O 3.31Å; F110-L390 WeakPolarHBondContact CE1-O 3.25Å; F110-K453 HydrophobicContact CD1-CB 4.27Å; F110-K453 HydrophobicContact CD1-CD 4.36Å; F110-K453 HydrophobicContact CE1-CB 3.76Å; F110-K453 HydrophobicContact CE1-CD 3.93Å; F110-K453 HydrophobicContact CE1-CG 3.96Å; F110-K453 HydrophobicContact CZ-CD 4.18Å; F110-K453 HydrophobicContact CZ-CG 4.33Å; F110-S454 WeakPolarHBondContact CE1-O 3.31Å; F110-T455 HydrophobicContact CB-CG2 4Å; F110-T455 HydrophobicContact CD1-CG2 3.9Å; F110-T455 HydrophobicContact CG-CG2 4.41Å; F110-V510 HydrophobicContact CE2-CB 3.76Å; F110-V510 HydrophobicContact CE2-CG1 3.77Å; F110-V510 HydrophobicContact CZ-CB 3.84Å; F110-V510 HydrophobicContact CZ-CG1 4.21Å; F110-V510 HydrophobicContact CZ-CG2 4.19Å
111E94.6Very high93.5Very high14 Ų1429.3 Ų29.37%0.06517%0.165CC..EExtended strand (participates in β ladder)trans-105.4130.5176.7-178.8170.778.600110.7K44 T104 F105 W446 R449K44-E111 WeakPolarHBondContact CE-OE2 3.36Å; K44-E111 IonicContact NZ-OE2 2.68Å; K44-E111 PolarHBondContact NZ-OE2 3.05Å; T104-E111 HydrophobicContact CG2-CG 4.35Å; F105-E111 WeakPolarHBondContact O-CA 3.48Å; E111-W446 HydrophobicContact CB-CH2 4.03Å; E111-W446 HydrophobicContact CB-CZ3 4.17Å; E111-W446 WeakPolarHBondContact O-CH2 3.24Å; E111-R449 IonicContact OE1-CZ 2.83Å; E111-R449 IonicContact OE1-NH1 3.23Å; E111-R449 PolarHBondContact OE1-NH1 2.71Å; E111-R449 IonicContact OE1-NH2 2.8Å
112F95.1Very high93.4Very high0 Ų027 Ų270%015%0.149CC..EExtended strand (participates in β ladder)trans-125.7136.6-177.3-60.1-81.1000111T104 F105 F110 F387 I388 T455 Y511T104-F112 WeakPolarHBondContact CA-O 3.32Å; T104-F112 WeakPolarHBondContact CB-O 3.34Å; F105-F112 HydrophobicContact CD1-CB 4.14Å; F105-F112 HydrophobicContact CD2-CD2 4.45Å; F105-F112 HydrophobicContact CE1-CB 3.61Å; F105-F112 HydrophobicContact CE1-CD2 4.32Å; F105-F112 HydrophobicContact CE1-CG 4.32Å; F105-F112 HydrophobicContact CE2-CB 4.5Å; F105-F112 AromaticContact CE2-CD2 3.73Å; F105-F112 HydrophobicContact CE2-CD2 3.73Å; F105-F112 HydrophobicContact CE2-CE2 4.46Å; F105-F112 HydrophobicContact CE2-CG 4.5Å; F105-F112 HydrophobicContact CZ-CB 3.81Å; F105-F112 AromaticContact CZ-CD2 3.65Å; F105-F112 HydrophobicContact CZ-CD2 3.65Å; F105-F112 HydrophobicContact CZ-CG 4.01Å; F105-F112 PolarHBondContact N-O 2.82Å; F105-F112 VanDerWaalsContact N-O 3.08Å; F105-F112 PolarHBondContact O-N 3.5Å; F110-F112 HydrophobicContact CB-CD2 4.38Å; F110-F112 HydrophobicContact CB-CE2 3.51Å; F110-F112 HydrophobicContact CB-CZ 3.62Å; F110-F112 HydrophobicContact CG-CZ 4.36Å; F112-F387 HydrophobicContact CB-CD1 3.71Å; F112-F387 HydrophobicContact CB-CE1 4.19Å; F112-F387 HydrophobicContact CB-CG 4.43Å; F112-F387 HydrophobicContact CD1-CB 3.85Å; F112-F387 AromaticContact CD1-CD1 3.91Å; F112-F387 HydrophobicContact CD1-CD1 3.91Å; F112-F387 HydrophobicContact CD1-CG 4.32Å; F112-F387 HydrophobicContact CD2-CB 4.19Å; F112-F387 HydrophobicContact CE1-CB 3.89Å; F112-F387 HydrophobicContact CE2-CB 4.23Å; F112-F387 HydrophobicContact CG-CB 4.01Å; F112-F387 AromaticContact CG-CD1 3.86Å; F112-F387 HydrophobicContact CG-CD1 3.86Å; F112-F387 HydrophobicContact CG-CG 4.23Å; F112-F387 HydrophobicContact CZ-CB 4.09Å; F112-I388 WeakPolarHBondContact CE1-O 3.38Å; F112-T455 HydrophobicContact CD1-CG2 4Å; F112-T455 HydrophobicContact CE1-CG2 3.55Å; F112-T455 HydrophobicContact CZ-CG2 3.97Å; F112-Y511 AromaticContact CE2-CD1 3.73Å; F112-Y511 HydrophobicContact CE2-CD1 3.73Å; F112-Y511 AromaticContact CE2-CE1 3.77Å; F112-Y511 HydrophobicContact CE2-CE1 3.77Å; F112-Y511 AromaticContact CZ-CD1 3.83Å; F112-Y511 HydrophobicContact CZ-CD1 3.83Å; F112-Y511 HydrophobicContact CZ-CE1 4.19Å
113D92.6Very high93Very high3 Ų329.8 Ų29.82%0.01616%0.163CC..EExtended strand (participates in β ladder)trans-75.9139162.2-61.5-77.3000110.3T104 Y287 S292 F387T104-D113 WeakPolarHBondContact CG2-OD1 3.36Å; D113-Y287 PolarHBondContact OD2-OH 3.25Å; D113-S292 WeakPolarHBondContact OD1-CB 3.41Å; D113-S292 PolarHBondContact OD1-N 2.84Å; D113-S292 PolarHBondContact OD1-OG 2.83Å; D113-F387 WeakPolarHBondContact O-CE1 3.46Å
114V89.8Confident92.3Very high28 Ų2834.4 Ų34.417%0.1719%0.188CC..SBendtrans-90.9-14.1179.8-59.60000114.4H103 F105H103-V114 VanDerWaalsContact CE1-CG2 3.4Å; H103-V114 WeakPolarHBondContact CE1-CG2 3.46Å; H103-V114 WeakPolarHBondContact ND1-CG2 3.3Å; H103-V114 WeakPolarHBondContact O-CG2 3.47Å; H103-V114 PolarHBondContact O-N 3.44Å; F105-V114 HydrophobicContact CD1-CG1 3.63Å; F105-V114 HydrophobicContact CE1-CG1 3.99Å
115G89.4Confident91.5Very high30 Ų3037.7 Ų37.731%0.30920%0.202SC..SBendtrans-156-36.4-175.400000116.5C101 H117C101-G115 PolarHBondContact O-N 3.25Å; G115-H117 PolarHBondContact O-N 3.07Å
116I92.6Very high91.2Very high14 Ų1438.2 Ų38.27%0.07220%0.204CC..  trans-78.7113.1176.1-58.9-60.6000109.8C102 I119 P288 I295 F570C102-I116 HydrophobicContact CB-CG1 4.5Å; I116-I119 HydrophobicContact CD1-CD1 4.26Å; I116-I119 HydrophobicContact CG2-CD1 3.9Å; I116-I119 HydrophobicContact CG2-CG1 4.3Å; I116-P288 HydrophobicContact CG2-CG 4.3Å; I116-I295 HydrophobicContact CG1-CD1 4.38Å; I116-F570 HydrophobicContact CD1-CB 3.76Å; I116-F570 HydrophobicContact CD1-CD2 4.05Å; I116-F570 HydrophobicContact CD1-CG 4.1Å
117H94.3Very high91Very high27 Ų2736.9 Ų36.913%0.12520%0.197CC..SBendtrans-103.9-37173.2-55.2-49.8000112.3G115 F435 K442G115-H117 PolarHBondContact O-N 3.07Å; H117-F435 HydrophobicContact CB-CE1 3.68Å; H117-F435 HydrophobicContact CB-CZ 3.72Å; H117-F435 AromaticContact CD2-CE1 3.59Å; H117-F435 AromaticContact CG-CE1 3.51Å; H117-K442 PolarHBondContact O-NZ 3.49Å
118Y95.8Very high91Very high14 Ų1434.4 Ų34.46%0.05519%0.185CC..  trans-171.9157.617657.7-71.7000109.9L145 D150 Y281 A285 W286 N403 W405 F435Y118-L145 HydrophobicContact CG-CD1 4.46Å; Y118-D150 PolarHBondContact OH-OD2 3.47Å; Y118-Y281 AromaticContact CD2-CD1 3.9Å; Y118-Y281 HydrophobicContact CD2-CD1 3.9Å; Y118-Y281 AromaticContact CD2-CE1 3.21Å; Y118-Y281 HydrophobicContact CD2-CE1 3.21Å; Y118-Y281 AromaticContact CD2-CZ 3.61Å; Y118-Y281 AromaticContact CE2-CD1 3.88Å; Y118-Y281 HydrophobicContact CE2-CD1 3.88Å; Y118-Y281 HydrophobicContact CE2-CD2 4.42Å; Y118-Y281 AromaticContact CE2-CE1 3.35Å; Y118-Y281 HydrophobicContact CE2-CE1 3.35Å; Y118-Y281 AromaticContact CE2-CE2 3.93Å; Y118-Y281 HydrophobicContact CE2-CE2 3.93Å; Y118-Y281 HydrophobicContact CE2-CG 4.39Å; Y118-Y281 AromaticContact CE2-CZ 3.36Å; Y118-Y281 HydrophobicContact CG-CE1 4.34Å; Y118-Y281 PolarHBondContact O-OH 3.43Å; Y118-A285 HydrophobicContact CD2-CB 3.7Å; Y118-A285 HydrophobicContact CG-CB 4.39Å; Y118-W286 CarbonylContact C-O 3.55Å; Y118-W286 VanDerWaalsContact CA-O 3.3Å; Y118-W286 WeakPolarHBondContact CA-O 3.18Å; Y118-N403 VanDerWaalsContact CD1-ND2 3.31Å; Y118-N403 WeakPolarHBondContact CD1-ND2 3.31Å; Y118-N403 WeakPolarHBondContact CE1-ND2 3.45Å; Y118-W405 VanDerWaalsContact OH-CZ2 3.32Å; Y118-W405 WeakPolarHBondContact OH-CZ2 3.36Å; Y118-W405 PolarHBondContact OH-NE1 2.9Å; Y118-F435 HydrophobicContact CD1-CE2 4.39Å; Y118-F435 HydrophobicContact CD1-CZ 4Å; Y118-F435 AromaticContact CE1-CE2 3.53Å; Y118-F435 HydrophobicContact CE1-CE2 3.53Å; Y118-F435 AromaticContact CE1-CZ 3.55Å; Y118-F435 HydrophobicContact CE1-CZ 3.55Å
119I96.3Very high91.1Very high4 Ų429.2 Ų29.22%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-136.6138.1-177.6-66.6159.8000109.1I116 L122 F128 W142 A285 W286 F570I116-I119 HydrophobicContact CD1-CD1 4.26Å; I116-I119 HydrophobicContact CG2-CD1 3.9Å; I116-I119 HydrophobicContact CG2-CG1 4.3Å; I119-L122 HydrophobicContact CB-CD1 3.84Å; I119-L122 HydrophobicContact CG2-CD1 3.57Å; I119-L122 HydrophobicContact CG2-CD2 4.49Å; I119-L122 HydrophobicContact CG2-CG 3.98Å; I119-F128 HydrophobicContact CG2-CE1 3.74Å; I119-F128 HydrophobicContact CG2-CZ 4.43Å; I119-W142 HydrophobicContact CB-CZ3 4.42Å; I119-W142 HydrophobicContact CD1-CH2 3.42Å; I119-W142 VanDerWaalsContact CD1-CH2 3.42Å; I119-W142 HydrophobicContact CD1-CZ3 3.51Å; I119-W142 HydrophobicContact CG1-CZ3 4.49Å; I119-A285 CarbonylContact O-C 3.56Å; I119-A285 WeakPolarHBondContact O-CA 3.26Å; I119-W286 PolarHBondContact N-O 3.2Å; I119-W286 PolarHBondContact O-N 3.47Å; I119-F570 HydrophobicContact CD1-CB 4.13Å; I119-F570 HydrophobicContact CD1-CD1 3.29Å; I119-F570 HydrophobicContact CD1-CD2 4.48Å; I119-F570 HydrophobicContact CD1-CE1 3.7Å; I119-F570 HydrophobicContact CD1-CG 3.74Å; I119-F570 HydrophobicContact CD1-CZ 4.46Å; I119-F570 HydrophobicContact CG1-CB 4.3Å; I119-F570 HydrophobicContact CG1-CD1 3.98Å; I119-F570 HydrophobicContact CG1-CG 4.39Å; I119-F570 HydrophobicContact CG2-CD1 4.21Å
120G95.2Very high91.1Very high0 Ų027.6 Ų27.60%014%0.144CC..EExtended strand (participates in β ladder)trans-94.7-179.8177.600000114.3L122 H280 G284G120-L122 VanDerWaalsContact C-N 3.26Å; G120-L122 PolarHBondContact O-N 2.97Å; G120-L122 VanDerWaalsContact O-N 3.15Å; G120-H280 CarbonylContact C-O 3.4Å; G120-H280 WeakPolarHBondContact CA-NE2 3.36Å; G120-H280 VanDerWaalsContact CA-O 3.29Å; G120-H280 WeakPolarHBondContact CA-O 3.44Å; G120-H280 PolarHBondContact N-CD2 3.31Å; G120-H280 PolarHBondContact N-CE1 3.03Å; G120-H280 PolarHBondContact N-NE2 2.9Å; G120-H280 PolarHBondContact O-CE1 3.06Å; G120-G284 WeakPolarHBondContact CA-O 3.34Å
121D90.7Very high91.1Very high35 Ų3527.7 Ų27.719%0.18715%0.145CC..  trans51.233.6176.3-155.341.1000116K126 H280D121-K126 VanDerWaalsContact OD1-CD 3.22Å; D121-K126 WeakPolarHBondContact OD1-CD 3.39Å; D121-K126 VanDerWaalsContact OD1-CE 3.25Å; D121-K126 WeakPolarHBondContact OD1-CE 3.3Å; D121-K126 WeakPolarHBondContact OD1-CG 3.38Å; D121-K126 IonicContact OD1-NZ 2.75Å; D121-K126 PolarHBondContact OD1-NZ 3.45Å; D121-H280 PolarHBondContact N-O 3.31Å
122L93.3Very high91.2Very high0 Ų027 Ų270%014%0.142CC..  trans-96.714.8-178.4-72.4172.1000115.3I119 G120 F128 R129 L132 W142 W286I119-L122 HydrophobicContact CB-CD1 3.84Å; I119-L122 HydrophobicContact CG2-CD1 3.57Å; I119-L122 HydrophobicContact CG2-CD2 4.49Å; I119-L122 HydrophobicContact CG2-CG 3.98Å; G120-L122 VanDerWaalsContact C-N 3.26Å; G120-L122 PolarHBondContact O-N 2.97Å; G120-L122 VanDerWaalsContact O-N 3.15Å; L122-F128 HydrophobicContact CD2-CD1 3.87Å; L122-F128 HydrophobicContact CD2-CE1 3.85Å; L122-F128 HydrophobicContact CG-CD1 4.47Å; L122-F128 HydrophobicContact CG-CE1 4.41Å; L122-R129 HydrophobicContact CD2-CB 4.36Å; L122-R129 WeakPolarHBondContact O-CG 3.32Å; L122-R129 PolarHBondContact O-NH1 3.16Å; L122-L132 HydrophobicContact CD2-CD1 3.31Å; L122-W142 HydrophobicContact CD1-CD2 3.48Å; L122-W142 VanDerWaalsContact CD1-CD2 3.48Å; L122-W142 HydrophobicContact CD1-CE3 3.43Å; L122-W142 VanDerWaalsContact CD1-CE3 3.43Å; L122-W142 HydrophobicContact CD1-CG 4.05Å; L122-W142 HydrophobicContact CD1-CH2 4.03Å; L122-W142 HydrophobicContact CD1-CZ2 4.04Å; L122-W142 HydrophobicContact CD1-CZ3 3.73Å; L122-W142 HydrophobicContact CD2-CZ2 4.38Å; L122-W286 HydrophobicContact CB-CB 4.34Å; L122-W286 HydrophobicContact CB-CD2 3.7Å; L122-W286 HydrophobicContact CB-CE3 3.78Å; L122-W286 HydrophobicContact CB-CG 3.93Å; L122-W286 HydrophobicContact CB-CZ3 4.39Å; L122-W286 HydrophobicContact CD1-CB 3.71Å; L122-W286 HydrophobicContact CD1-CG 4.22Å
123M88.1Confident91.2Very high65 Ų6527.4 Ų27.432%0.3214%0.144SC..  trans-58.6138.3171.7-64.1-70.4-6500110.5H125 K126 R129 W286M123-H125 PolarHBondContact O-N 3.42Å; M123-K126 HydrophobicContact CB-CG 3.84Å; M123-K126 WeakPolarHBondContact O-CB 3.38Å; M123-K126 PolarHBondContact O-N 3.32Å; M123-R129 WeakPolarHBondContact O-CB 3.34Å; M123-W286 HydrophobicContact CG-CH2 3.73Å; M123-W286 HydrophobicContact CG-CZ2 3.93Å; M123-W286 HydrophobicContact SD-CH2 3.8Å; M123-W286 HydrophobicContact SD-CZ2 3.5Å; M123-W286 VanDerWaalsContact SD-CZ2 3.5Å
124D78.7Confident91.4Very high109 Ų10927.3 Ų27.358%0.58314%0.143SC*.THydrogen-bonded Turntrans-55.8-21.1-167.9-59.9-26.7000116.3R129D124-R129 IonicContact OD1-CZ 3.2Å; D124-R129 IonicContact OD1-NH1 3.64Å; D124-R129 PolarHBondContact OD1-NH1 2.85Å; D124-R129 IonicContact OD1-NH2 3.45Å
125H75.9Confident91.7Very high80 Ų8026 Ų2637%0.3714%0.135SC..THydrogen-bonded Turntrans-100.65.2-178.564.5-87.7000113.6M123 K601M123-H125 PolarHBondContact O-N 3.42Å; H125-K601 HydrophobicContact CB-CB 4.44Å; H125-K601 HydrophobicContact CB-CD 4.11Å; H125-K601 HydrophobicContact CB-CG 4.07Å
126K87.7Confident92.1Very high58 Ų5824.6 Ų24.625%0.25212%0.121SC..SBendtrans-87.8143.7-177.2-67.7-72.1-168146.30111D121 M123 F128 R129 C130D121-K126 VanDerWaalsContact OD1-CD 3.22Å; D121-K126 WeakPolarHBondContact OD1-CD 3.39Å; D121-K126 VanDerWaalsContact OD1-CE 3.25Å; D121-K126 WeakPolarHBondContact OD1-CE 3.3Å; D121-K126 WeakPolarHBondContact OD1-CG 3.38Å; D121-K126 IonicContact OD1-NZ 2.75Å; D121-K126 PolarHBondContact OD1-NZ 3.45Å; M123-K126 HydrophobicContact CB-CG 3.84Å; M123-K126 WeakPolarHBondContact O-CB 3.38Å; M123-K126 PolarHBondContact O-N 3.32Å; K126-F128 VanDerWaalsContact C-N 3.26Å; K126-F128 PolarHBondContact O-N 2.98Å; K126-R129 PolarHBondContact O-N 3.37Å; K126-C130 PolarHBondContact O-N 3.41Å
127P88.9Confident92.3Very high29 Ų2925.1 Ų25.119%0.18812%0.124CC..Hα-helixtrans-54.4-40.8177.3-27.535.1000113.7C130 M131 F594 A597P127-C130 PolarHBondContact O-N 2.86Å; P127-M131 WeakPolarHBondContact O-CB 3.16Å; P127-M131 PolarHBondContact O-N 2.96Å; P127-F594 HydrophobicContact CB-CD2 4.32Å; P127-F594 HydrophobicContact CG-CD2 3.62Å; P127-F594 HydrophobicContact CG-CE2 4.15Å; P127-A597 HydrophobicContact CB-CB 4.32Å; P127-A597 HydrophobicContact CG-CB 4.34Å
128F92.9Very high92.4Very high27 Ų2724.5 Ų24.512%0.11813%0.125CC..Hα-helixtrans-63.5-45.4179.6-176.8-117.1000112.4I119 L122 K126 M131 L132 F570 A571 L574I119-F128 HydrophobicContact CG2-CE1 3.74Å; I119-F128 HydrophobicContact CG2-CZ 4.43Å; L122-F128 HydrophobicContact CD2-CD1 3.87Å; L122-F128 HydrophobicContact CD2-CE1 3.85Å; L122-F128 HydrophobicContact CG-CD1 4.47Å; L122-F128 HydrophobicContact CG-CE1 4.41Å; K126-F128 VanDerWaalsContact C-N 3.26Å; K126-F128 PolarHBondContact O-N 2.98Å; F128-M131 HydrophobicContact CD2-CE 3.47Å; F128-M131 VanDerWaalsContact CD2-CE 3.47Å; F128-M131 HydrophobicContact CE2-CE 3.42Å; F128-M131 VanDerWaalsContact CE2-CE 3.42Å; F128-M131 PolarHBondContact O-N 3.37Å; F128-L132 HydrophobicContact CD1-CD1 4.08Å; F128-L132 HydrophobicContact CE1-CD1 3.61Å; F128-L132 HydrophobicContact CE2-CD1 4.24Å; F128-L132 HydrophobicContact CE2-CG 4.46Å; F128-L132 HydrophobicContact CZ-CD1 3.68Å; F128-L132 HydrophobicContact CZ-CG 4.32Å; F128-L132 PolarHBondContact O-N 3.36Å; F128-L132 VanDerWaalsContact O-N 3.16Å; F128-F570 AromaticContact CZ-CD1 3.9Å; F128-F570 HydrophobicContact CZ-CD1 3.9Å; F128-F570 HydrophobicContact CZ-CE1 4.07Å; F128-A571 HydrophobicContact CD2-CB 4.28Å; F128-A571 HydrophobicContact CE1-CB 4.03Å; F128-A571 HydrophobicContact CE2-CB 3.53Å; F128-A571 HydrophobicContact CZ-CB 3.38Å; F128-L574 HydrophobicContact CE2-CD1 4.29Å
129R93.9Very high92.4Very high35 Ų3524.4 Ų24.413%0.13213%0.125CC..Hα-helixtrans-61-46.8173.8-179.156.5-174-74.3-6.6112.1L122 M123 D124 K126 M131 L132 D133L122-R129 HydrophobicContact CD2-CB 4.36Å; L122-R129 WeakPolarHBondContact O-CG 3.32Å; L122-R129 PolarHBondContact O-NH1 3.16Å; M123-R129 WeakPolarHBondContact O-CB 3.34Å; D124-R129 IonicContact OD1-CZ 3.2Å; D124-R129 IonicContact OD1-NH1 3.64Å; D124-R129 PolarHBondContact OD1-NH1 2.85Å; D124-R129 IonicContact OD1-NH2 3.45Å; K126-R129 PolarHBondContact O-N 3.37Å; R129-M131 VanDerWaalsContact C-N 3.34Å; R129-M131 PolarHBondContact O-N 3.4Å; R129-L132 PolarHBondContact O-N 2.88Å; R129-D133 IonicContact CZ-OD1 2.61Å; R129-D133 IonicContact NE-OD1 2.64Å; R129-D133 PolarHBondContact NE-OD1 2.67Å; R129-D133 IonicContact NE-OD2 2.79Å; R129-D133 IonicContact NH2-OD1 3.76Å; R129-D133 VanDerWaalsContact O-CG 3.32Å; R129-D133 PolarHBondContact O-N 2.94Å
130C92.9Very high92.4Very high4 Ų424.4 Ų24.43%0.02712%0.124CC..Hα-helixtrans-56.3-49.6178.2-179.30000111.1K126 P127 L132 D133 Q134 A597K126-C130 PolarHBondContact O-N 3.41Å; P127-C130 PolarHBondContact O-N 2.86Å; C130-L132 VanDerWaalsContact C-N 3.33Å; C130-L132 PolarHBondContact O-N 3.08Å; C130-D133 PolarHBondContact O-N 3.28Å; C130-Q134 VanDerWaalsContact O-CG 3.31Å; C130-Q134 WeakPolarHBondContact O-CG 3.42Å; C130-Q134 PolarHBondContact O-N 2.91Å; C130-A597 HydrophobicContact CB-CB 3.62Å
131M94.7Very high92.4Very high6 Ų627.2 Ų27.23%0.0314%0.138CC..Hα-helixtrans-54.4-47.7177.2176.8-160.565.200112F29 P127 F128 R129 Q134 M135 L574 L578F29-M131 HydrophobicContact CE1-CG 4.39Å; F29-M131 HydrophobicContact CZ-CG 4.22Å; P127-M131 WeakPolarHBondContact O-CB 3.16Å; P127-M131 PolarHBondContact O-N 2.96Å; F128-M131 HydrophobicContact CD2-CE 3.47Å; F128-M131 VanDerWaalsContact CD2-CE 3.47Å; F128-M131 HydrophobicContact CE2-CE 3.42Å; F128-M131 VanDerWaalsContact CE2-CE 3.42Å; F128-M131 PolarHBondContact O-N 3.37Å; R129-M131 VanDerWaalsContact C-N 3.34Å; R129-M131 PolarHBondContact O-N 3.4Å; M131-Q134 PolarHBondContact O-N 3.34Å; M131-M135 HydrophobicContact CG-CE 3.68Å; M131-M135 HydrophobicContact CG-SD 3.97Å; M131-M135 WeakPolarHBondContact O-CG 3.24Å; M131-M135 PolarHBondContact O-N 2.92Å; M131-M135 HydrophobicContact SD-CE 3.87Å; M131-M135 HydrophobicContact SD-SD 4.33Å; M131-L574 HydrophobicContact CE-CB 3.79Å; M131-L574 HydrophobicContact CE-CD1 3.8Å; M131-L574 HydrophobicContact CE-CG 4.36Å; M131-L574 HydrophobicContact SD-CB 4.42Å; M131-L578 HydrophobicContact CG-CD1 4.38Å; M131-L578 HydrophobicContact SD-CD1 3.22Å; M131-L578 WeakPolarHBondContact SD-CD1 3.48Å; M131-L578 HydrophobicContact SD-CD2 4.36Å; M131-L578 HydrophobicContact SD-CG 3.8Å
132L95.8Very high92.6Very high0 Ų026.6 Ų26.60%013%0.133CC..Hα-helixtrans-62.3-43.8178.8-75.9167.7000112.8L122 F128 R129 C130 Q134 M135 T136 W142 F570 L574L122-L132 HydrophobicContact CD2-CD1 3.31Å; F128-L132 HydrophobicContact CD1-CD1 4.08Å; F128-L132 HydrophobicContact CE1-CD1 3.61Å; F128-L132 HydrophobicContact CE2-CD1 4.24Å; F128-L132 HydrophobicContact CE2-CG 4.46Å; F128-L132 HydrophobicContact CZ-CD1 3.68Å; F128-L132 HydrophobicContact CZ-CG 4.32Å; F128-L132 PolarHBondContact O-N 3.36Å; F128-L132 VanDerWaalsContact O-N 3.16Å; R129-L132 PolarHBondContact O-N 2.88Å; C130-L132 VanDerWaalsContact C-N 3.33Å; C130-L132 PolarHBondContact O-N 3.08Å; L132-Q134 VanDerWaalsContact C-N 3.26Å; L132-Q134 PolarHBondContact O-N 2.85Å; L132-M135 PolarHBondContact O-N 2.86Å; L132-M135 VanDerWaalsContact O-N 3.17Å; L132-T136 PolarHBondContact O-N 3.3Å; L132-T136 VanDerWaalsContact O-N 3.08Å; L132-T136 PolarHBondContact O-OG1 3.21Å; L132-W142 HydrophobicContact CD1-CZ2 4.05Å; L132-F570 HydrophobicContact CD1-CE1 3.88Å; L132-F570 HydrophobicContact CD2-CE1 3.54Å; L132-F570 HydrophobicContact CD2-CZ 3.53Å; L132-F570 HydrophobicContact CG-CE1 4.35Å; L132-L574 HydrophobicContact CD2-CD1 3.29Å; L132-L574 HydrophobicContact CG-CD1 4.28Å
133D95.9Very high92.7Very high8 Ų829.4 Ų29.44%0.04315%0.146CC..Hα-helixtrans-61.3-40.7176.5-64.1-17.6000109.8R34 R129 C130 M135 T136 N137 G138R34-D133 HydrophobicContact CG-CB 3.85Å; R34-D133 IonicContact NH1-OD2 2.9Å; R129-D133 IonicContact CZ-OD1 2.61Å; R129-D133 IonicContact NE-OD1 2.64Å; R129-D133 PolarHBondContact NE-OD1 2.67Å; R129-D133 IonicContact NE-OD2 2.79Å; R129-D133 IonicContact NH2-OD1 3.76Å; R129-D133 VanDerWaalsContact O-CG 3.32Å; R129-D133 PolarHBondContact O-N 2.94Å; C130-D133 PolarHBondContact O-N 3.28Å; D133-M135 PolarHBondContact O-N 2.57Å; D133-T136 CarbonylContact O-C 3.27Å; D133-T136 PolarHBondContact O-N 2.88Å; D133-N137 CarbonylContact O-C 3.45Å; D133-N137 WeakPolarHBondContact O-CA 3.45Å; D133-N137 PolarHBondContact O-N 3.41Å; D133-G138 PolarHBondContact O-N 3.34Å
134Q95.8Very high93.1Very high1 Ų130.7 Ų30.71%0.00515%0.15CC..Hα-helixtrans-63.5-41.7175.1-60.4-48.6-62.500112F29 K31 D32 C33 K84 C130 M131 L132 T136 N137 L596F29-Q134 HydrophobicContact CD1-CB 4.04Å; F29-Q134 HydrophobicContact CD1-CG 3.96Å; F29-Q134 HydrophobicContact CE1-CB 3.92Å; F29-Q134 HydrophobicContact CE1-CG 4.23Å; K31-Q134 PolarHBondContact O-OE1 2.83Å; D32-Q134 PolarHBondContact OD1-NE2 2.83Å; C33-Q134 PolarHBondContact SG-O 3.31Å; C33-Q134 PolarHBondContact SG-OE1 2.88Å; K84-Q134 WeakPolarHBondContact CE-O 3.3Å; K84-Q134 PolarHBondContact NZ-O 3.15Å; C130-Q134 VanDerWaalsContact O-CG 3.31Å; C130-Q134 WeakPolarHBondContact O-CG 3.42Å; C130-Q134 PolarHBondContact O-N 2.91Å; M131-Q134 PolarHBondContact O-N 3.34Å; L132-Q134 VanDerWaalsContact C-N 3.26Å; L132-Q134 PolarHBondContact O-N 2.85Å; Q134-T136 PolarHBondContact O-N 2.8Å; Q134-N137 PolarHBondContact O-N 3.06Å; Q134-L596 HydrophobicContact CG-CD2 3.62Å
135M97.1Very high94Very high0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-71.1-9179.8-69.4174.5173.100114.1F29 V80 L81 M131 L132 D133 M299 I302 L574F29-M135 HydrophobicContact CZ-CE 4.5Å; V80-M135 HydrophobicContact CG1-CB 4.27Å; V80-M135 HydrophobicContact CG1-CG 4.43Å; L81-M135 HydrophobicContact CD1-CE 3.75Å; L81-M135 HydrophobicContact CD2-CE 3.81Å; L81-M135 HydrophobicContact CG-CE 3.82Å; M131-M135 HydrophobicContact CG-CE 3.68Å; M131-M135 HydrophobicContact CG-SD 3.97Å; M131-M135 WeakPolarHBondContact O-CG 3.24Å; M131-M135 PolarHBondContact O-N 2.92Å; M131-M135 HydrophobicContact SD-CE 3.87Å; M131-M135 HydrophobicContact SD-SD 4.33Å; L132-M135 PolarHBondContact O-N 2.86Å; L132-M135 VanDerWaalsContact O-N 3.17Å; D133-M135 PolarHBondContact O-N 2.57Å; M135-M299 HydrophobicContact CB-CE 4.07Å; M135-M299 WeakPolarHBondContact O-CG 3.17Å; M135-I302 VanDerWaalsContact O-CD1 3.3Å; M135-I302 WeakPolarHBondContact O-CD1 3.49Å; M135-L574 HydrophobicContact CE-CD2 4.34Å; M135-L574 HydrophobicContact SD-CD2 3.68Å
136T97.4Very high94.8Very high1 Ų125.3 Ų25.31%0.00612%0.121CC..THydrogen-bonded Turntrans-127.511.7-178.659.40000112.6L132 D133 Q134 G138 Q139 L140 H298 M299L132-T136 PolarHBondContact O-N 3.3Å; L132-T136 VanDerWaalsContact O-N 3.08Å; L132-T136 PolarHBondContact O-OG1 3.21Å; D133-T136 CarbonylContact O-C 3.27Å; D133-T136 PolarHBondContact O-N 2.88Å; Q134-T136 PolarHBondContact O-N 2.8Å; T136-G138 PolarHBondContact O-N 2.9Å; T136-G138 VanDerWaalsContact O-N 3.16Å; T136-Q139 WeakPolarHBondContact O-CB 3.49Å; T136-Q139 VanDerWaalsContact O-CG 3.3Å; T136-Q139 WeakPolarHBondContact O-CG 3.37Å; T136-Q139 PolarHBondContact O-N 2.62Å; T136-L140 HydrophobicContact CG2-CB 4.01Å; T136-L140 HydrophobicContact CG2-CD2 4.24Å; T136-H298 HydrophobicContact CG2-CB 4.19Å; T136-M299 HydrophobicContact CG2-CE 4.28Å; T136-M299 HydrophobicContact CG2-CG 4.15Å
137N96.9Very high95.2Very high25 Ų2525 Ų2513%0.13412%0.122CC..THydrogen-bonded Turntrans48.136.6-171.4-65.33.1000113.2E35 K84 D133 Q134 Q139 I302E35-N137 HydrophobicContact CG-CB 4.32Å; E35-N137 PolarHBondContact N-O 2.89Å; E35-N137 PolarHBondContact OE1-ND2 2.84Å; K84-N137 PolarHBondContact NZ-OD1 3.14Å; D133-N137 CarbonylContact O-C 3.45Å; D133-N137 WeakPolarHBondContact O-CA 3.45Å; D133-N137 PolarHBondContact O-N 3.41Å; Q134-N137 PolarHBondContact O-N 3.06Å; N137-Q139 PolarHBondContact O-N 3.49Å; N137-Q139 PolarHBondContact O-NE2 2.64Å; N137-I302 WeakPolarHBondContact OD1-CD1 3.27Å
138G95.6Very high95.5Very high14 Ų1424.9 Ų24.914%0.14412%0.122CC..THydrogen-bonded Turntrans72.38.4178.800000114.9L37 D133 T136L37-G138 VanDerWaalsContact CD2-O 3.29Å; L37-G138 WeakPolarHBondContact CD2-O 3.39Å; D133-G138 PolarHBondContact O-N 3.34Å; T136-G138 PolarHBondContact O-N 2.9Å; T136-G138 VanDerWaalsContact O-N 3.16Å
139Q97Very high95.7Very high12 Ų1223.8 Ų23.86%0.05612%0.117CC..  trans-81.8-23.6-173.3-57.1-57.3-69.100113.3E35 P36 T136 N137 Q141 H298E35-Q139 PolarHBondContact O-NE2 3.29Å; P36-Q139 PolarHBondContact O-NE2 3.28Å; T136-Q139 WeakPolarHBondContact O-CB 3.49Å; T136-Q139 VanDerWaalsContact O-CG 3.3Å; T136-Q139 WeakPolarHBondContact O-CG 3.37Å; T136-Q139 PolarHBondContact O-N 2.62Å; N137-Q139 PolarHBondContact O-N 3.49Å; N137-Q139 PolarHBondContact O-NE2 2.64Å; Q139-Q141 PolarHBondContact O-N 3.31Å; Q139-H298 HydrophobicContact CB-CB 4.33Å; Q139-H298 WeakPolarHBondContact CB-ND1 3.31Å
140L95.3Very high95.9Very high3 Ų322.1 Ų22.12%0.01611%0.111CC..  trans-74.8117.5-178.9-172.961.3000111T136 W142 P288 E294 I295T136-L140 HydrophobicContact CG2-CB 4.01Å; T136-L140 HydrophobicContact CG2-CD2 4.24Å; L140-W142 HydrophobicContact CD2-CH2 4.01Å; L140-W142 HydrophobicContact CD2-CZ2 3.25Å; L140-W142 HydrophobicContact CG-CZ2 3.89Å; L140-P288 HydrophobicContact CD1-CB 4.48Å; L140-E294 HydrophobicContact CD1-CB 3.71Å; L140-I295 HydrophobicContact CD1-CG1 4.26Å; L140-I295 HydrophobicContact CD2-CG1 3.81Å
141Q95.2Very high96.2Very high60 Ų6023.3 Ų23.328%0.2812%0.116SC..  trans-100.4144179.3-62.5178.3-67.100111.5L37 Q139 K289L37-Q141 HydrophobicContact CD1-CG 4.36Å; L37-Q141 HydrophobicContact CD2-CG 4.03Å; Q139-Q141 PolarHBondContact O-N 3.31Å; Q141-K289 HydrophobicContact CB-CB 4.18Å; Q141-K289 HydrophobicContact CB-CD 4.05Å; Q141-K289 HydrophobicContact CB-CG 4.23Å; Q141-K289 PolarHBondContact O-N 3.13Å
142W95.5Very high96.4Very high22 Ų2223 Ų238%0.08311%0.114CC..EExtended strand (participates in β ladder)trans-123.5133.8-176-60.895.4000109.9I119 L122 L132 L140 W286 P288 F570I119-W142 HydrophobicContact CB-CZ3 4.42Å; I119-W142 HydrophobicContact CD1-CH2 3.42Å; I119-W142 VanDerWaalsContact CD1-CH2 3.42Å; I119-W142 HydrophobicContact CD1-CZ3 3.51Å; I119-W142 HydrophobicContact CG1-CZ3 4.49Å; L122-W142 HydrophobicContact CD1-CD2 3.48Å; L122-W142 VanDerWaalsContact CD1-CD2 3.48Å; L122-W142 HydrophobicContact CD1-CE3 3.43Å; L122-W142 VanDerWaalsContact CD1-CE3 3.43Å; L122-W142 HydrophobicContact CD1-CG 4.05Å; L122-W142 HydrophobicContact CD1-CH2 4.03Å; L122-W142 HydrophobicContact CD1-CZ2 4.04Å; L122-W142 HydrophobicContact CD1-CZ3 3.73Å; L122-W142 HydrophobicContact CD2-CZ2 4.38Å; L132-W142 HydrophobicContact CD1-CZ2 4.05Å; L140-W142 HydrophobicContact CD2-CH2 4.01Å; L140-W142 HydrophobicContact CD2-CZ2 3.25Å; L140-W142 HydrophobicContact CG-CZ2 3.89Å; W142-W286 HydrophobicContact CB-CB 4.24Å; W142-W286 HydrophobicContact CB-CG 4.42Å; W142-W286 HydrophobicContact CE3-CB 4.27Å; W142-P288 HydrophobicContact CE3-CB 4.13Å; W142-P288 HydrophobicContact CH2-CB 4.44Å; W142-P288 HydrophobicContact CZ3-CB 3.86Å; W142-P288 HydrophobicContact CZ3-CG 4.23Å; W142-F570 HydrophobicContact CH2-CE1 4.06Å; W142-F570 HydrophobicContact CH2-CZ 4.38Å; W142-F570 HydrophobicContact CZ2-CE1 4.35Å
143E96.1Very high96.5Very high58 Ų5823.2 Ų23.227%0.27112%0.116SC..EExtended strand (participates in β ladder)trans-96.8134.8168.3-171.153.3-117.300109.3W286 Y287 K289 P444E143-W286 CarbonylContact O-C 3.06Å; E143-W286 WeakPolarHBondContact O-CA 3.24Å; E143-W286 WeakPolarHBondContact O-CB 3.44Å; E143-Y287 PolarHBondContact N-O 3.2Å; E143-Y287 PolarHBondContact O-N 3Å; E143-K289 HydrophobicContact CB-CG 4.05Å; E143-K289 WeakPolarHBondContact OE2-CE 3.24Å; E143-K289 IonicContact OE2-NZ 3.78Å; E143-K289 PolarHBondContact OE2-NZ 2.96Å; E143-P444 HydrophobicContact CB-CG 4.47Å; E143-P444 HydrophobicContact CG-CG 4.16Å
144K96.2Very high96.6Very high93 Ų9322.9 Ų22.940%0.40411%0.114SC..EExtended strand (participates in β ladder)trans-81.6134176.6-168.6176.4-178178.20108.5W286K144-W286 HydrophobicContact CD-CZ2 4.03Å; K144-W286 HydrophobicContact CG-CD2 4.44Å; K144-W286 HydrophobicContact CG-CZ2 4.13Å
145L96.3Very high96.5Very high11 Ų1123 Ų236%0.05812%0.115CC..PPolyproline II helixtrans-66.8163.5175.6-64.8-158.8000111.9Y118 F149 A285 A401 K442Y118-L145 HydrophobicContact CG-CD1 4.46Å; L145-F149 HydrophobicContact CB-CB 4.1Å; L145-A285 HydrophobicContact CB-CB 4.25Å; L145-A285 WeakPolarHBondContact CB-O 3.4Å; L145-A285 HydrophobicContact CD1-CB 3.81Å; L145-A285 HydrophobicContact CG-CB 4.01Å; L145-A285 PolarHBondContact N-O 2.68Å; L145-A401 WeakPolarHBondContact CB-O 3.17Å; L145-K442 HydrophobicContact CD2-CB 4.09Å; L145-K442 HydrophobicContact CD2-CD 3.97Å; L145-K442 HydrophobicContact CD2-CG 3.69Å
146E94.3Very high96.2Very high64 Ų6425.4 Ų25.430%0.29913%0.131SC..PPolyproline II helixtrans-58.8162.2172.6-78.7175.6-137.200111.4P148 F149 R394 A401E146-P148 CarbonylContact C-O 3.5Å; E146-P148 VanDerWaalsContact C-O 3.27Å; E146-P148 CarbonylContact O-C 3.53Å; E146-F149 WeakPolarHBondContact O-CA 3.45Å; E146-F149 VanDerWaalsContact O-CB 3.24Å; E146-F149 WeakPolarHBondContact O-CB 3.4Å; E146-F149 PolarHBondContact O-N 3.03Å; E146-R394 IonicContact OE1-CZ 2.62Å; E146-R394 IonicContact OE1-NH2 2.77Å; E146-R394 PolarHBondContact OE1-NH2 3.37Å; E146-A401 HydrophobicContact CG-CB 4.08Å; E146-A401 PolarHBondContact N-O 3.28Å; E146-A401 VanDerWaalsContact N-O 3.13Å; E146-A401 PolarHBondContact OE1-N 3.18Å
147N94.6Very high95.8Very high51 Ų5128.8 Ų28.827%0.27315%0.153SC..SBendtrans-128.592.8178.4-16710.3000109.3Y166 S167 R171N147-Y166 WeakPolarHBondContact OD1-CA 3.37Å; N147-Y166 WeakPolarHBondContact OD1-CB 3.5Å; N147-Y166 WeakPolarHBondContact OD1-CD1 3.42Å; N147-S167 VanDerWaalsContact CG-OG 3.27Å; N147-S167 PolarHBondContact ND2-O 3.47Å; N147-S167 PolarHBondContact ND2-OG 3.04Å; N147-S167 VanDerWaalsContact ND2-OG 3.09Å; N147-S167 PolarHBondContact OD1-N 3.31Å; N147-S167 PolarHBondContact OD1-OG 3.35Å; N147-R171 PolarHBondContact ND2-NH1 3.14Å; N147-R171 PolarHBondContact O-NH2 3.07Å
148P96.8Very high95.5Very high27 Ų2735 Ų3518%0.17518%0.181CC..SBendcis-80.3145.530.133.4-35.3000114.5E146 P164 I165 Y166E146-P148 CarbonylContact C-O 3.5Å; E146-P148 VanDerWaalsContact C-O 3.27Å; E146-P148 CarbonylContact O-C 3.53Å; P148-P164 HydrophobicContact CB-CB 3.67Å; P148-P164 HydrophobicContact CG-CB 3.73Å; P148-I165 CarbonylContact C-O 3.55Å; P148-I165 VanDerWaalsContact CA-O 3.27Å; P148-I165 WeakPolarHBondContact CA-O 3.42Å; P148-I165 VanDerWaalsContact CB-O 3.28Å; P148-I165 WeakPolarHBondContact CB-O 3.24Å; P148-Y166 HydrophobicContact CB-CD1 3.93Å; P148-Y166 HydrophobicContact CB-CE1 3.89Å; P148-Y166 HydrophobicContact CB-CG 4.34Å; P148-Y166 HydrophobicContact CG-CE1 4.04Å
149F97.1Very high95.3Very high5 Ų539.1 Ų39.12%0.02220%0.2CC..  trans-98.1-26.9-178.767.6-90.6000112.8L145 E146 I165 Y281 A285 N402 N403L145-F149 HydrophobicContact CB-CB 4.1Å; E146-F149 WeakPolarHBondContact O-CA 3.45Å; E146-F149 VanDerWaalsContact O-CB 3.24Å; E146-F149 WeakPolarHBondContact O-CB 3.4Å; E146-F149 PolarHBondContact O-N 3.03Å; F149-I165 WeakPolarHBondContact CD1-O 3.35Å; F149-I165 HydrophobicContact CE1-CG2 3.97Å; F149-I165 HydrophobicContact CZ-CG2 3.79Å; F149-I165 PolarHBondContact N-O 2.83Å; F149-Y281 HydrophobicContact CE2-CG 4.47Å; F149-A285 HydrophobicContact CB-CB 4.23Å; F149-A285 HydrophobicContact CD2-CB 3.85Å; F149-A285 HydrophobicContact CG-CB 4.12Å; F149-N402 CarbonylContact O-C 3.45Å; F149-N402 VanDerWaalsContact O-CA 3.26Å; F149-N402 WeakPolarHBondContact O-CA 3.34Å; F149-N402 WeakPolarHBondContact O-CB 3.4Å; F149-N403 PolarHBondContact O-N 3.11Å; F149-N403 PolarHBondContact O-ND2 3.11Å
150D98.1Very high95.2Very high0 Ų041.8 Ų41.80%021%0.209CC..EExtended strand (participates in β ladder)trans-124.1154.2172.3-72-10.9000109.8Y118 I165 Y257 N403 W405Y118-D150 PolarHBondContact OH-OD2 3.47Å; D150-I165 HydrophobicContact CB-CB 3.92Å; D150-I165 HydrophobicContact CB-CG1 4.11Å; D150-I165 PolarHBondContact O-N 2.82Å; D150-Y257 HydrophobicContact CB-CE2 3.99Å; D150-Y257 WeakPolarHBondContact OD2-CE2 3.15Å; D150-Y257 PolarHBondContact OD2-OH 3.2Å; D150-N403 CarbonylContact C-O 3.59Å; D150-N403 WeakPolarHBondContact CA-O 3.34Å; D150-N403 VanDerWaalsContact OD1-CB 3.28Å; D150-N403 WeakPolarHBondContact OD1-CB 3.39Å; D150-N403 PolarHBondContact OD1-ND2 3.01Å; D150-W405 PolarHBondContact OD2-NE1 3.23Å
151H98.2Very high95.2Very high29 Ų2944.6 Ų44.613%0.13422%0.22CC..EExtended strand (participates in β ladder)trans-124.7122.2167.9-73.9-100.8000108.9V153 N402 N403 Y404 W405H151-V153 HydrophobicContact CB-CG2 4.45Å; H151-N402 PolarHBondContact CD2-ND2 3.48Å; H151-N402 PolarHBondContact NE2-ND2 3.09Å; H151-N403 PolarHBondContact N-O 3.3Å; H151-Y404 HydrophobicContact CB-CD1 3.68Å; H151-Y404 HydrophobicContact CB-CE1 3.9Å; H151-Y404 HydrophobicContact CB-CG 4.27Å; H151-Y404 AromaticContact CG-CE1 3.89Å; H151-Y404 WeakPolarHBondContact O-CA 3.4Å; H151-W405 PolarHBondContact O-N 2.88Å
152V98.6Very high95.3Very high0 Ų044.4 Ų44.40%023%0.225CC..EExtended strand (participates in β ladder)trans-89.1113.1170.4-173.60000107.8L154 S162 Y163 I165 V254 Y257 F407V152-L154 HydrophobicContact CG1-CD2 3.75Å; V152-L154 HydrophobicContact CG1-CG 4.02Å; V152-S162 CarbonylContact O-C 3.37Å; V152-S162 WeakPolarHBondContact O-CA 3.31Å; V152-Y163 PolarHBondContact N-O 3.38Å; V152-Y163 PolarHBondContact O-N 2.8Å; V152-I165 HydrophobicContact CG2-CD1 3.89Å; V152-I165 HydrophobicContact CG2-CG1 3.81Å; V152-V254 HydrophobicContact CB-CG2 4.46Å; V152-V254 HydrophobicContact CG1-CG2 4.4Å; V152-Y257 HydrophobicContact CG1-CG 4.48Å; V152-Y257 HydrophobicContact CG2-CD1 3.63Å; V152-Y257 HydrophobicContact CG2-CD2 3.53Å; V152-Y257 HydrophobicContact CG2-CE1 4.07Å; V152-Y257 HydrophobicContact CG2-CE2 3.98Å; V152-Y257 HydrophobicContact CG2-CG 3.32Å; V152-F407 HydrophobicContact CG1-CD2 4.34Å; V152-F407 HydrophobicContact CG1-CE2 4.22Å
153V98.4Very high95.4Very high4 Ų444.8 Ų44.82%0.02423%0.227CC..EExtended strand (participates in β ladder)trans-107.2118.8-179.2-179.90000108H151 R160 R161 Y404 W405 I406 F407H151-V153 HydrophobicContact CB-CG2 4.45Å; V153-R160 HydrophobicContact CG1-CG 3.49Å; V153-R160 VanDerWaalsContact CG1-CG 3.49Å; V153-R161 CarbonylContact C-O 3.49Å; V153-R161 VanDerWaalsContact CA-O 3.3Å; V153-R161 WeakPolarHBondContact CA-O 3.48Å; V153-Y404 HydrophobicContact CG2-CD1 4.13Å; V153-W405 PolarHBondContact N-O 2.77Å; V153-I406 HydrophobicContact CB-CB 4.31Å; V153-I406 HydrophobicContact CB-CG1 3.97Å; V153-I406 HydrophobicContact CB-CG2 4.32Å; V153-I406 HydrophobicContact CG1-CG1 4.41Å; V153-I406 HydrophobicContact CG1-CG2 4.15Å; V153-I406 HydrophobicContact CG2-CG1 4.25Å; V153-I406 WeakPolarHBondContact O-CA 3.26Å; V153-F407 PolarHBondContact O-N 2.84Å
154L97.8Very high95.5Very high0 Ų042.8 Ų42.80%022%0.219CC..EExtended strand (participates in β ladder)trans-119.8138.5-175-57.7-177.7000111.2V152 R160 R161 Y163 D250 A253 F407 N410 F412V152-L154 HydrophobicContact CG1-CD2 3.75Å; V152-L154 HydrophobicContact CG1-CG 4.02Å; L154-R160 WeakPolarHBondContact O-CA 3.28Å; L154-R161 PolarHBondContact N-O 3.27Å; L154-R161 PolarHBondContact O-N 3.49Å; L154-Y163 HydrophobicContact CD1-CD2 4.18Å; L154-Y163 HydrophobicContact CD1-CE2 3.88Å; L154-Y163 HydrophobicContact CG-CD2 4.44Å; L154-Y163 HydrophobicContact CG-CE2 4.38Å; L154-D250 HydrophobicContact CD1-CB 4.4Å; L154-A253 HydrophobicContact CD1-CB 3.65Å; L154-A253 HydrophobicContact CD2-CB 4.22Å; L154-F407 CarbonylContact C-O 3.59Å; L154-F407 HydrophobicContact CD2-CB 3.91Å; L154-F407 HydrophobicContact CD2-CD2 3.74Å; L154-F407 HydrophobicContact CD2-CG 4.15Å; L154-N410 HydrophobicContact CD1-CB 4.07Å; L154-F412 HydrophobicContact CD2-CE1 3.94Å; L154-F412 HydrophobicContact CD2-CZ 3.92Å
155G94.5Very high95.6Very high4 Ų438.5 Ų38.54%0.04120%0.2CC..SBendtrans92.4168.3171.200000114.2F407 T408G155-F407 PolarHBondContact N-O 3.19Å; G155-T408 WeakPolarHBondContact CA-O 3.24Å
156P91.1Very high95.6Very high50 Ų5039.5 Ų39.533%0.32520%0.204SC..  trans-71.4165.3179.135-38.7000111.2E158 N159 R160P156-E158 HydrophobicContact CB-CG 4.47Å; P156-E158 WeakPolarHBondContact CB-OE1 3.46Å; P156-E158 HydrophobicContact CG-CG 4.06Å; P156-E158 WeakPolarHBondContact CG-OE1 3.45Å; P156-E158 PolarHBondContact O-N 3.32Å; P156-E158 VanDerWaalsContact O-N 3.13Å; P156-N159 CarbonylContact O-C 3.43Å; P156-N159 PolarHBondContact O-N 3.19Å; P156-N159 VanDerWaalsContact O-N 3.07Å; P156-R160 WeakPolarHBondContact O-CA 3.24Å; P156-R160 PolarHBondContact O-N 2.86Å
157P89Confident95.7Very high72 Ų7236.8 Ų36.847%0.46819%0.192SC..G310 helixtrans-48.5-42.2-175.8-2835.1000114.3N159 D499P157-N159 VanDerWaalsContact C-N 3.31Å; P157-N159 PolarHBondContact O-N 3Å; P157-D499 WeakPolarHBondContact CG-OD2 3.4Å
158E90.2Very high95.6Very high156 Ų15635.9 Ų35.973%0.72919%0.194SC*.G310 helixtrans-65.9-23.1-177.757.2-86.4-168.500115.3P156P156-E158 HydrophobicContact CB-CG 4.47Å; P156-E158 WeakPolarHBondContact CB-OE1 3.46Å; P156-E158 HydrophobicContact CG-CG 4.06Å; P156-E158 WeakPolarHBondContact CG-OE1 3.45Å; P156-E158 PolarHBondContact O-N 3.32Å; P156-E158 VanDerWaalsContact O-N 3.13Å
159N91.1Very high95.2Very high100 Ų10036.5 Ų36.554%0.53520%0.199SC..G310 helixtrans-138.738.6178.9-171.918.7000111.5P156 P157 R161P156-N159 CarbonylContact O-C 3.43Å; P156-N159 PolarHBondContact O-N 3.19Å; P156-N159 VanDerWaalsContact O-N 3.07Å; P157-N159 VanDerWaalsContact C-N 3.31Å; P157-N159 PolarHBondContact O-N 3Å; N159-R161 PolarHBondContact ND2-NH1 3.28Å; N159-R161 PolarHBondContact O-N 3.36Å; N159-R161 PolarHBondContact O-NH1 3.38Å
160R94.4Very high95Very high69 Ų6939.2 Ų39.226%0.2622%0.223SC..  trans-70129.5-176.5179.7168.8-74.3163.89.8111.2V153 L154 P156 D499V153-R160 HydrophobicContact CG1-CG 3.49Å; V153-R160 VanDerWaalsContact CG1-CG 3.49Å; L154-R160 WeakPolarHBondContact O-CA 3.28Å; P156-R160 WeakPolarHBondContact O-CA 3.24Å; P156-R160 PolarHBondContact O-N 2.86Å; R160-D499 IonicContact CZ-OD2 2.79Å; R160-D499 IonicContact NH1-OD2 2.72Å; R160-D499 PolarHBondContact NH1-OD2 3.02Å; R160-D499 IonicContact NH2-OD2 2.75Å; R160-D499 PolarHBondContact NH2-OD2 3.42Å
161R96.3Very high94.9Very high61 Ų6144.1 Ų44.123%0.2324%0.241CC..EExtended strand (participates in β ladder)trans-113.7141.1175.8-60.8174.3-58.7-81.19.7108.9V153 L154 N159 Y163 D250V153-R161 CarbonylContact C-O 3.49Å; V153-R161 VanDerWaalsContact CA-O 3.3Å; V153-R161 WeakPolarHBondContact CA-O 3.48Å; L154-R161 PolarHBondContact N-O 3.27Å; L154-R161 PolarHBondContact O-N 3.49Å; N159-R161 PolarHBondContact ND2-NH1 3.28Å; N159-R161 PolarHBondContact O-N 3.36Å; N159-R161 PolarHBondContact O-NH1 3.38Å; R161-Y163 HydrophobicContact CB-CE2 3.83Å; R161-D250 WeakPolarHBondContact CD-OD2 3.18Å; R161-D250 IonicContact CZ-OD1 3.96Å; R161-D250 IonicContact CZ-OD2 2.64Å; R161-D250 IonicContact NE-OD1 3.71Å; R161-D250 IonicContact NE-OD2 2.7Å; R161-D250 PolarHBondContact NE-OD2 2.94Å; R161-D250 IonicContact NH2-OD1 3.04Å; R161-D250 PolarHBondContact NH2-OD1 3.27Å; R161-D250 IonicContact NH2-OD2 3.87Å
162S96.9Very high94.8Very high57 Ų5743.3 Ų43.340%0.39924%0.237SC..EExtended strand (participates in β ladder)trans-127.7123.9178.1-172.70000110.7V152V152-S162 CarbonylContact O-C 3.37Å; V152-S162 WeakPolarHBondContact O-CA 3.31Å
163Y98.1Very high94.7Very high30 Ų3043.9 Ų43.912%0.11824%0.241CC..EExtended strand (participates in β ladder)trans-113105.8179.8-58.8-79.1000109.3V152 L154 R161 F180 D250 V254V152-Y163 PolarHBondContact N-O 3.38Å; V152-Y163 PolarHBondContact O-N 2.8Å; L154-Y163 HydrophobicContact CD1-CD2 4.18Å; L154-Y163 HydrophobicContact CD1-CE2 3.88Å; L154-Y163 HydrophobicContact CG-CD2 4.44Å; L154-Y163 HydrophobicContact CG-CE2 4.38Å; R161-Y163 HydrophobicContact CB-CE2 3.83Å; Y163-F180 AromaticContact CD1-CE2 3.86Å; Y163-F180 HydrophobicContact CD1-CE2 3.86Å; Y163-F180 AromaticContact CD1-CZ 3.63Å; Y163-F180 HydrophobicContact CD1-CZ 3.63Å; Y163-F180 AromaticContact CE1-CE1 3.97Å; Y163-F180 HydrophobicContact CE1-CE1 3.97Å; Y163-F180 AromaticContact CE1-CE2 3.97Å; Y163-F180 HydrophobicContact CE1-CE2 3.97Å; Y163-F180 AromaticContact CE1-CZ 3.36Å; Y163-F180 HydrophobicContact CE1-CZ 3.36Å; Y163-F180 HydrophobicContact CG-CZ 4.33Å; Y163-F180 AromaticContact CZ-CZ 3.85Å; Y163-D250 HydrophobicContact CE2-CB 4.35Å; Y163-D250 WeakPolarHBondContact CE2-OD2 3.31Å; Y163-D250 PolarHBondContact OH-OD2 3.49Å; Y163-V254 HydrophobicContact CD1-CG2 4.41Å; Y163-V254 HydrophobicContact CD2-CG2 3.74Å; Y163-V254 HydrophobicContact CE2-CG2 4.44Å; Y163-V254 HydrophobicContact CG-CG2 3.72Å
164P97.8Very high94.7Very high16 Ų1648.7 Ų48.710%0.10426%0.263CS..EExtended strand (participates in β ladder)trans-70.3135.5176.527.5-32.8000110.9P148 Y166P148-P164 HydrophobicContact CB-CB 3.67Å; P148-P164 HydrophobicContact CG-CB 3.73Å; P164-Y166 HydrophobicContact CB-CE2 3.84Å; P164-Y166 HydrophobicContact CG-CE2 3.71Å
165I97.9Very high94.7Very high2 Ų250.2 Ų50.21%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-105.7115.8179.4-53.9-59.1000109.5P148 F149 D150 V152 Y172 V254 Y257P148-I165 CarbonylContact C-O 3.55Å; P148-I165 VanDerWaalsContact CA-O 3.27Å; P148-I165 WeakPolarHBondContact CA-O 3.42Å; P148-I165 VanDerWaalsContact CB-O 3.28Å; P148-I165 WeakPolarHBondContact CB-O 3.24Å; F149-I165 WeakPolarHBondContact CD1-O 3.35Å; F149-I165 HydrophobicContact CE1-CG2 3.97Å; F149-I165 HydrophobicContact CZ-CG2 3.79Å; F149-I165 PolarHBondContact N-O 2.83Å; D150-I165 HydrophobicContact CB-CB 3.92Å; D150-I165 HydrophobicContact CB-CG1 4.11Å; D150-I165 PolarHBondContact O-N 2.82Å; V152-I165 HydrophobicContact CG2-CD1 3.89Å; V152-I165 HydrophobicContact CG2-CG1 3.81Å; I165-Y172 HydrophobicContact CG2-CD2 4.08Å; I165-Y172 HydrophobicContact CG2-CE2 3.77Å; I165-V254 HydrophobicContact CD1-CG1 3.99Å; I165-Y257 HydrophobicContact CD1-CE1 4.1Å; I165-Y257 HydrophobicContact CG1-CE1 3.93Å; I165-Y257 HydrophobicContact CG2-CE1 4.46Å
166Y97.2Very high94.9Very high33 Ų3350.3 Ų50.313%0.12927%0.27CS..  trans-97.4146-176.3-63-87.1000112.1N147 P148 P164 R171 Y172 E175N147-Y166 WeakPolarHBondContact OD1-CA 3.37Å; N147-Y166 WeakPolarHBondContact OD1-CB 3.5Å; N147-Y166 WeakPolarHBondContact OD1-CD1 3.42Å; P148-Y166 HydrophobicContact CB-CD1 3.93Å; P148-Y166 HydrophobicContact CB-CE1 3.89Å; P148-Y166 HydrophobicContact CB-CG 4.34Å; P148-Y166 HydrophobicContact CG-CE1 4.04Å; P164-Y166 HydrophobicContact CB-CE2 3.84Å; P164-Y166 HydrophobicContact CG-CE2 3.71Å; Y166-R171 VanDerWaalsContact CD1-CZ 3.45Å; Y166-R171 VanDerWaalsContact CD1-NE 3.27Å; Y166-R171 VanDerWaalsContact CD1-NH2 3.28Å; Y166-R171 HydrophobicContact CG-CG 4.34Å; Y166-Y172 VanDerWaalsContact O-CD2 3.31Å; Y166-Y172 WeakPolarHBondContact O-CD2 3.31Å; Y166-E175 HydrophobicContact CD2-CB 3.46Å; Y166-E175 VanDerWaalsContact CD2-CB 3.46Å; Y166-E175 HydrophobicContact CD2-CG 3.49Å; Y166-E175 VanDerWaalsContact CD2-CG 3.49Å; Y166-E175 HydrophobicContact CE2-CB 3.68Å; Y166-E175 HydrophobicContact CE2-CG 3.59Å; Y166-E175 HydrophobicContact CG-CB 4.38Å; Y166-E175 HydrophobicContact CG-CG 4.05Å
167S94.8Very high95.2Very high7 Ų750.4 Ų50.45%0.04927%0.265CS..SBendtrans-87156.5168.360.40000112N147N147-S167 VanDerWaalsContact CG-OG 3.27Å; N147-S167 PolarHBondContact ND2-O 3.47Å; N147-S167 PolarHBondContact ND2-OG 3.04Å; N147-S167 VanDerWaalsContact ND2-OG 3.09Å; N147-S167 PolarHBondContact OD1-N 3.31Å; N147-S167 PolarHBondContact OD1-OG 3.35Å
168G93.1Very high95.6Very high32 Ų3253.6 Ų53.633%0.3327%0.272SS..SBendtrans94.7117.5-173.600000110.1A170 R171 Y172 L282G168-A170 VanDerWaalsContact C-N 3.27Å; G168-A170 PolarHBondContact O-N 2.92Å; G168-A170 VanDerWaalsContact O-N 3.14Å; G168-R171 PolarHBondContact O-N 3.47Å; G168-Y172 WeakPolarHBondContact O-CB 3.41Å; G168-Y172 PolarHBondContact O-N 3.32Å; G168-L282 WeakPolarHBondContact CA-O 3.32Å; G168-L282 PolarHBondContact N-O 3.42Å
169S87.8Confident96Very high39 Ų3952.7 Ų52.727%0.27326%0.262SS..Hα-helixtrans-59.7-32.9-169.21800000114.9S173 K195S169-S173 PolarHBondContact O-N 2.87Å; S169-K195 WeakPolarHBondContact OG-CE 3.42Å; S169-K195 PolarHBondContact OG-NZ 2.78Å
170A94.1Very high96.3Very high63 Ų6348.3 Ų48.352%0.52124%0.238SC..Hα-helixtrans-71-54.7176.500000110G168 Y172 S173 E174G168-A170 VanDerWaalsContact C-N 3.27Å; G168-A170 PolarHBondContact O-N 2.92Å; G168-A170 VanDerWaalsContact O-N 3.14Å; A170-Y172 VanDerWaalsContact C-N 3.33Å; A170-Y172 PolarHBondContact O-N 3.4Å; A170-S173 WeakPolarHBondContact O-CB 3.47Å; A170-S173 PolarHBondContact O-N 2.95Å; A170-E174 WeakPolarHBondContact O-CG 3.49Å; A170-E174 PolarHBondContact O-N 3.34Å
171R96.3Very high96.5Very high102 Ų10250 Ų5039%0.38526%0.258SS..Hα-helixtrans-55.8-42.9177.7-173.2176.2179.5174.8-1.3112.9N147 Y166 G168 S173 E174 E175N147-R171 PolarHBondContact ND2-NH1 3.14Å; N147-R171 PolarHBondContact O-NH2 3.07Å; Y166-R171 VanDerWaalsContact CD1-CZ 3.45Å; Y166-R171 VanDerWaalsContact CD1-NE 3.27Å; Y166-R171 VanDerWaalsContact CD1-NH2 3.28Å; Y166-R171 HydrophobicContact CG-CG 4.34Å; G168-R171 PolarHBondContact O-N 3.47Å; R171-S173 PolarHBondContact O-N 3.03Å; R171-E174 PolarHBondContact O-N 3.12Å; R171-E175 HydrophobicContact CG-CG 3.95Å; R171-E175 VanDerWaalsContact O-CB 3.27Å; R171-E175 WeakPolarHBondContact O-CB 3.5Å; R171-E175 VanDerWaalsContact O-CG 3.23Å; R171-E175 WeakPolarHBondContact O-CG 3.23Å; R171-E175 PolarHBondContact O-N 3.08Å
172Y95.8Very high96.6Very high12 Ų1250 Ų505%0.04728%0.277CS..Hα-helixtrans-57-48.7175.6178.3-86.3000111.4I165 Y166 G168 A170 L176 L191 L282I165-Y172 HydrophobicContact CG2-CD2 4.08Å; I165-Y172 HydrophobicContact CG2-CE2 3.77Å; Y166-Y172 VanDerWaalsContact O-CD2 3.31Å; Y166-Y172 WeakPolarHBondContact O-CD2 3.31Å; G168-Y172 WeakPolarHBondContact O-CB 3.41Å; G168-Y172 PolarHBondContact O-N 3.32Å; A170-Y172 VanDerWaalsContact C-N 3.33Å; A170-Y172 PolarHBondContact O-N 3.4Å; Y172-L176 HydrophobicContact CD1-CD1 3.94Å; Y172-L176 HydrophobicContact CE1-CD1 3.3Å; Y172-L176 HydrophobicContact CE1-CG 4.31Å; Y172-L176 HydrophobicContact CE2-CD1 4.28Å; Y172-L176 WeakPolarHBondContact O-CG 3.27Å; Y172-L176 PolarHBondContact O-N 3.31Å; Y172-L176 VanDerWaalsContact O-N 3.15Å; Y172-L191 HydrophobicContact CD1-CD1 4.02Å; Y172-L191 HydrophobicContact CD1-CD2 3.68Å; Y172-L191 HydrophobicContact CD1-CG 4.31Å; Y172-L191 HydrophobicContact CE1-CD1 4.36Å; Y172-L191 HydrophobicContact CE1-CD2 3.58Å; Y172-L191 HydrophobicContact CE1-CG 4.22Å; Y172-L282 HydrophobicContact CD1-CD2 4.48Å; Y172-L282 HydrophobicContact CG-CD2 4.42Å
173S96.5Very high96.7Very high13 Ų1349.2 Ų49.29%0.09127%0.267CS..Hα-helixtrans-63.4-49.9177.7-179.30000111.5S169 A170 R171 E175 L176 K177 D188 L191S169-S173 PolarHBondContact O-N 2.87Å; A170-S173 WeakPolarHBondContact O-CB 3.47Å; A170-S173 PolarHBondContact O-N 2.95Å; R171-S173 PolarHBondContact O-N 3.03Å; S173-E175 PolarHBondContact O-N 2.95Å; S173-L176 PolarHBondContact O-N 3.15Å; S173-K177 VanDerWaalsContact O-CG 3.28Å; S173-K177 WeakPolarHBondContact O-CG 3.38Å; S173-K177 PolarHBondContact O-N 3.29Å; S173-K177 WeakPolarHBondContact OG-CE 3.43Å; S173-K177 PolarHBondContact OG-NZ 3.05Å; S173-D188 PolarHBondContact OG-OD1 2.7Å; S173-L191 VanDerWaalsContact CB-CD1 3.5Å
174E98Very high96.7Very high104 Ų10451.6 Ų51.649%0.48628%0.279SS..Hα-helixtrans-60.4-45.3-177.8-71.7165.9-159.100112.2A170 R171 K177 K178A170-E174 WeakPolarHBondContact O-CG 3.49Å; A170-E174 PolarHBondContact O-N 3.34Å; R171-E174 PolarHBondContact O-N 3.12Å; E174-K177 PolarHBondContact O-N 3.01Å; E174-K178 VanDerWaalsContact O-CG 3.31Å; E174-K178 WeakPolarHBondContact O-CG 3.29Å; E174-K178 PolarHBondContact O-N 3.14Å
175E97.9Very high96.7Very high33 Ų3359.7 Ų59.715%0.15431%0.313CS..Hα-helixtrans-69.3-36.1-179.7-69-64.7133.900112.1Y166 R171 S173 K178 R179Y166-E175 HydrophobicContact CD2-CB 3.46Å; Y166-E175 VanDerWaalsContact CD2-CB 3.46Å; Y166-E175 HydrophobicContact CD2-CG 3.49Å; Y166-E175 VanDerWaalsContact CD2-CG 3.49Å; Y166-E175 HydrophobicContact CE2-CB 3.68Å; Y166-E175 HydrophobicContact CE2-CG 3.59Å; Y166-E175 HydrophobicContact CG-CB 4.38Å; Y166-E175 HydrophobicContact CG-CG 4.05Å; R171-E175 HydrophobicContact CG-CG 3.95Å; R171-E175 VanDerWaalsContact O-CB 3.27Å; R171-E175 WeakPolarHBondContact O-CB 3.5Å; R171-E175 VanDerWaalsContact O-CG 3.23Å; R171-E175 WeakPolarHBondContact O-CG 3.23Å; R171-E175 PolarHBondContact O-N 3.08Å; S173-E175 PolarHBondContact O-N 2.95Å; E175-K178 IonicContact OE1-NZ 2.89Å; E175-K178 PolarHBondContact OE1-NZ 3.21Å; E175-R179 VanDerWaalsContact O-CG 3.27Å; E175-R179 WeakPolarHBondContact O-CG 3.27Å; E175-R179 PolarHBondContact O-N 3.24Å
176L97.9Very high96.7Very high6 Ų660 Ų603%0.03132%0.315CS..Hα-helixtrans-65-44.5171.6-72.8-175.9000111.7Y172 S173 K178 R179 F180 I187 V254 F255Y172-L176 HydrophobicContact CD1-CD1 3.94Å; Y172-L176 HydrophobicContact CE1-CD1 3.3Å; Y172-L176 HydrophobicContact CE1-CG 4.31Å; Y172-L176 HydrophobicContact CE2-CD1 4.28Å; Y172-L176 WeakPolarHBondContact O-CG 3.27Å; Y172-L176 PolarHBondContact O-N 3.31Å; Y172-L176 VanDerWaalsContact O-N 3.15Å; S173-L176 PolarHBondContact O-N 3.15Å; L176-K178 VanDerWaalsContact C-N 3.3Å; L176-K178 PolarHBondContact O-N 2.97Å; L176-R179 CarbonylContact O-C 3.58Å; L176-R179 PolarHBondContact O-N 2.95Å; L176-F180 HydrophobicContact CD2-CE2 4.27Å; L176-F180 WeakPolarHBondContact O-CD2 3.35Å; L176-F180 PolarHBondContact O-N 3.28Å; L176-I187 HydrophobicContact CB-CD1 3.87Å; L176-I187 HydrophobicContact CB-CG1 4.36Å; L176-I187 HydrophobicContact CB-CG2 4.21Å; L176-I187 HydrophobicContact CD1-CG2 4.36Å; L176-V254 HydrophobicContact CD2-CG1 3.71Å; L176-F255 HydrophobicContact CD1-CE1 4.21Å
177K98.4Very high96.8Very high52 Ų5258.4 Ų58.423%0.22631%0.309CS..Hα-helixtrans-61.1-39.1178.4-71.5173.9177.8177.30112.2S173 E174 R179 F180 E184 I187 D188S173-K177 VanDerWaalsContact O-CG 3.28Å; S173-K177 WeakPolarHBondContact O-CG 3.38Å; S173-K177 PolarHBondContact O-N 3.29Å; S173-K177 WeakPolarHBondContact OG-CE 3.43Å; S173-K177 PolarHBondContact OG-NZ 3.05Å; E174-K177 PolarHBondContact O-N 3.01Å; K177-R179 VanDerWaalsContact C-N 3.26Å; K177-R179 PolarHBondContact O-N 3.22Å; K177-F180 CarbonylContact O-C 3.38Å; K177-F180 PolarHBondContact O-N 3.41Å; K177-E184 HydrophobicContact CB-CG 4.29Å; K177-E184 HydrophobicContact CD-CB 4.19Å; K177-E184 HydrophobicContact CD-CG 4.07Å; K177-E184 HydrophobicContact CG-CB 4.26Å; K177-E184 HydrophobicContact CG-CG 3.98Å; K177-I187 HydrophobicContact CB-CD1 4.42Å; K177-I187 HydrophobicContact CG-CB 4.44Å; K177-I187 HydrophobicContact CG-CD1 3.79Å; K177-I187 HydrophobicContact CG-CG2 4.28Å; K177-D188 WeakPolarHBondContact CE-OD1 3.27Å; K177-D188 WeakPolarHBondContact CE-OD2 3.48Å; K177-D188 IonicContact NZ-OD1 3.7Å; K177-D188 PolarHBondContact NZ-OD1 2.73Å; K177-D188 IonicContact NZ-OD2 3.62Å; K177-D188 PolarHBondContact NZ-OD2 3.49Å
178K98.1Very high97Very high138 Ų13861.5 Ų61.560%0.633%0.325SS*.Hα-helixtrans-61.4-33.9173-71.5172.9-167.7171.90112.7E174 E175 L176E174-K178 VanDerWaalsContact O-CG 3.31Å; E174-K178 WeakPolarHBondContact O-CG 3.29Å; E174-K178 PolarHBondContact O-N 3.14Å; E175-K178 IonicContact OE1-NZ 2.89Å; E175-K178 PolarHBondContact OE1-NZ 3.21Å; L176-K178 VanDerWaalsContact C-N 3.3Å; L176-K178 PolarHBondContact O-N 2.97Å
179R97.6Very high97.3Very high137 Ų13763.1 Ų63.152%0.51732%0.324SS..Hα-helixtrans-85.3-24.6-178.3-67.8-66.4-178.4163.4-0113.5E175 L176 K177E175-R179 VanDerWaalsContact O-CG 3.27Å; E175-R179 WeakPolarHBondContact O-CG 3.27Å; E175-R179 PolarHBondContact O-N 3.24Å; L176-R179 CarbonylContact O-C 3.58Å; L176-R179 PolarHBondContact O-N 2.95Å; K177-R179 VanDerWaalsContact C-N 3.26Å; K177-R179 PolarHBondContact O-N 3.22Å
180F98.1Very high97.8Very high8 Ų861.3 Ų61.34%0.03531%0.311CS..SBendtrans-127.870.9-178.5-61.9-82.2000110Y163 L176 K177 G182 E183 I187 D250 L251 V254Y163-F180 AromaticContact CD1-CE2 3.86Å; Y163-F180 HydrophobicContact CD1-CE2 3.86Å; Y163-F180 AromaticContact CD1-CZ 3.63Å; Y163-F180 HydrophobicContact CD1-CZ 3.63Å; Y163-F180 AromaticContact CE1-CE1 3.97Å; Y163-F180 HydrophobicContact CE1-CE1 3.97Å; Y163-F180 AromaticContact CE1-CE2 3.97Å; Y163-F180 HydrophobicContact CE1-CE2 3.97Å; Y163-F180 AromaticContact CE1-CZ 3.36Å; Y163-F180 HydrophobicContact CE1-CZ 3.36Å; Y163-F180 HydrophobicContact CG-CZ 4.33Å; Y163-F180 AromaticContact CZ-CZ 3.85Å; L176-F180 HydrophobicContact CD2-CE2 4.27Å; L176-F180 WeakPolarHBondContact O-CD2 3.35Å; L176-F180 PolarHBondContact O-N 3.28Å; K177-F180 CarbonylContact O-C 3.38Å; K177-F180 PolarHBondContact O-N 3.41Å; F180-G182 PolarHBondContact O-N 3.26Å; F180-E183 HydrophobicContact CB-CB 3.91Å; F180-E183 HydrophobicContact CB-CG 3.96Å; F180-E183 WeakPolarHBondContact O-CB 3.43Å; F180-E183 PolarHBondContact O-N 3.47Å; F180-E183 VanDerWaalsContact O-N 3.15Å; F180-I187 HydrophobicContact CB-CD1 4.37Å; F180-D250 HydrophobicContact CE1-CB 3.95Å; F180-D250 HydrophobicContact CZ-CB 4.42Å; F180-L251 HydrophobicContact CB-CD2 4.49Å; F180-L251 HydrophobicContact CD1-CB 3.95Å; F180-L251 HydrophobicContact CD1-CD1 4.49Å; F180-L251 HydrophobicContact CD2-CD1 3.79Å; F180-L251 HydrophobicContact CE1-CB 3.94Å; F180-L251 HydrophobicContact CE2-CD1 3.94Å; F180-L251 HydrophobicContact CG-CB 4.33Å; F180-L251 HydrophobicContact CG-CD1 4.09Å; F180-L251 HydrophobicContact CZ-CB 4.33Å; F180-L251 HydrophobicContact CZ-CD1 4.36Å; F180-V254 HydrophobicContact CE2-CG2 4.34Å; F180-V254 HydrophobicContact CZ-CG2 4.04Å
181P97.7Very high98Very high106 Ų10658.6 Ų58.669%0.68829%0.288SS*.THydrogen-bonded Turntrans-61133.6178.426.4-34.3000110.6
182G98Very high98Very high60 Ų6059 Ų5962%0.61929%0.293SS*.THydrogen-bonded Turntrans91.8-9.4-175.200000114.9F180 E184F180-G182 PolarHBondContact O-N 3.26Å; G182-E184 WeakPolarHBondContact CA-OE2 2.93Å; G182-E184 PolarHBondContact N-OE1 3.33Å; G182-E184 PolarHBondContact N-OE2 3.25Å
183E98.6Very high98.2Very high41 Ų4159.2 Ų59.219%0.19229%0.294CS..  trans-99.915.6179.4-61.9-66.1165.100113.2F180 K185 A186 I187 T246 N248 L251F180-E183 HydrophobicContact CB-CB 3.91Å; F180-E183 HydrophobicContact CB-CG 3.96Å; F180-E183 WeakPolarHBondContact O-CB 3.43Å; F180-E183 PolarHBondContact O-N 3.47Å; F180-E183 VanDerWaalsContact O-N 3.15Å; E183-K185 VanDerWaalsContact C-N 3.3Å; E183-K185 PolarHBondContact O-N 3.17Å; E183-A186 WeakPolarHBondContact O-CB 3.47Å; E183-A186 PolarHBondContact O-N 2.87Å; E183-A186 VanDerWaalsContact O-N 3.11Å; E183-I187 HydrophobicContact CB-CD1 4.19Å; E183-I187 WeakPolarHBondContact O-CG1 3.36Å; E183-I187 PolarHBondContact O-N 3.34Å; E183-T246 PolarHBondContact OE1-OG1 2.78Å; E183-T246 WeakPolarHBondContact OE2-CB 3.49Å; E183-T246 PolarHBondContact OE2-OG1 3.03Å; E183-N248 HydrophobicContact CG-CB 4.38Å; E183-N248 WeakPolarHBondContact OE1-CB 3.42Å; E183-L251 HydrophobicContact CB-CD2 3.47Å; E183-L251 VanDerWaalsContact CB-CD2 3.47Å; E183-L251 HydrophobicContact CG-CD2 3.69Å
184E98.6Very high98.2Very high79 Ų7958.6 Ų58.637%0.36929%0.29SS..Hα-helixtrans-60.5-40.6-170.6-60.277.4-171.500112K177 G182 I187 D188K177-E184 HydrophobicContact CB-CG 4.29Å; K177-E184 HydrophobicContact CD-CB 4.19Å; K177-E184 HydrophobicContact CD-CG 4.07Å; K177-E184 HydrophobicContact CG-CB 4.26Å; K177-E184 HydrophobicContact CG-CG 3.98Å; G182-E184 WeakPolarHBondContact CA-OE2 2.93Å; G182-E184 PolarHBondContact N-OE1 3.33Å; G182-E184 PolarHBondContact N-OE2 3.25Å; E184-I187 PolarHBondContact O-N 3.42Å; E184-D188 WeakPolarHBondContact O-CB 3.42Å; E184-D188 PolarHBondContact O-N 2.74Å
185K98.6Very high98.1Very high187 Ų18756.9 Ų56.981%0.81328%0.281SS*.Hα-helixtrans-64.6-42.6177.4-69.4-178.6-179.21740111.8E183 D188 E189E183-K185 VanDerWaalsContact C-N 3.3Å; E183-K185 PolarHBondContact O-N 3.17Å; K185-D188 PolarHBondContact O-N 2.99Å; K185-E189 WeakPolarHBondContact O-CB 3.25Å; K185-E189 PolarHBondContact O-N 3.43Å
186A98.7Very high98Very high7 Ų760.2 Ų60.26%0.05830%0.295CS..Hα-helixtrans-63.6-44.7179.100000111.1E183 E189 Y190 L245 L251E183-A186 WeakPolarHBondContact O-CB 3.47Å; E183-A186 PolarHBondContact O-N 2.87Å; E183-A186 VanDerWaalsContact O-N 3.11Å; A186-E189 PolarHBondContact O-N 3.16Å; A186-Y190 VanDerWaalsContact O-CB 3.29Å; A186-Y190 WeakPolarHBondContact O-CB 3.41Å; A186-Y190 PolarHBondContact O-N 2.99Å; A186-L245 HydrophobicContact CB-CB 4.36Å; A186-L245 WeakPolarHBondContact CB-O 3.09Å; A186-L251 HydrophobicContact CB-CD2 4.44Å
187I98.7Very high97.9Very high0 Ų060 Ų600%029%0.293CS..Hα-helixtrans-63-45.3178-66.7162.2000111.4L176 K177 F180 E183 E184 L191 L251 F255L176-I187 HydrophobicContact CB-CD1 3.87Å; L176-I187 HydrophobicContact CB-CG1 4.36Å; L176-I187 HydrophobicContact CB-CG2 4.21Å; L176-I187 HydrophobicContact CD1-CG2 4.36Å; K177-I187 HydrophobicContact CB-CD1 4.42Å; K177-I187 HydrophobicContact CG-CB 4.44Å; K177-I187 HydrophobicContact CG-CD1 3.79Å; K177-I187 HydrophobicContact CG-CG2 4.28Å; F180-I187 HydrophobicContact CB-CD1 4.37Å; E183-I187 HydrophobicContact CB-CD1 4.19Å; E183-I187 WeakPolarHBondContact O-CG1 3.36Å; E183-I187 PolarHBondContact O-N 3.34Å; E184-I187 PolarHBondContact O-N 3.42Å; I187-L191 HydrophobicContact CG2-CD1 4.23Å; I187-L191 WeakPolarHBondContact O-CB 3.18Å; I187-L191 WeakPolarHBondContact O-CG 3.39Å; I187-L191 PolarHBondContact O-N 3.3Å; I187-L251 HydrophobicContact CD1-CD2 4.49Å; I187-L251 HydrophobicContact CG1-CD1 4.22Å; I187-L251 HydrophobicContact CG1-CD2 4.07Å; I187-F255 HydrophobicContact CB-CZ 4.49Å; I187-F255 HydrophobicContact CG1-CE1 4.33Å; I187-F255 HydrophobicContact CG1-CZ 3.96Å
188D98.4Very high97.7Very high73 Ų7357.8 Ų57.839%0.3929%0.286SS..Hα-helixtrans-66.7-42.1179.8-75.3-23.7000112.2S173 K177 E184 K185 L191 K192S173-D188 PolarHBondContact OG-OD1 2.7Å; K177-D188 WeakPolarHBondContact CE-OD1 3.27Å; K177-D188 WeakPolarHBondContact CE-OD2 3.48Å; K177-D188 IonicContact NZ-OD1 3.7Å; K177-D188 PolarHBondContact NZ-OD1 2.73Å; K177-D188 IonicContact NZ-OD2 3.62Å; K177-D188 PolarHBondContact NZ-OD2 3.49Å; E184-D188 WeakPolarHBondContact O-CB 3.42Å; E184-D188 PolarHBondContact O-N 2.74Å; K185-D188 PolarHBondContact O-N 2.99Å; D188-L191 PolarHBondContact O-N 3.17Å; D188-K192 WeakPolarHBondContact O-CB 3.49Å; D188-K192 PolarHBondContact O-N 2.79Å
189E98.6Very high97.2Very high65 Ų6559.9 Ų59.930%0.30429%0.29SS..Hα-helixtrans-68.6-42.2177.1-169.360.8-152.100111.4K185 A186 L191 K192 L193 L245K185-E189 WeakPolarHBondContact O-CB 3.25Å; K185-E189 PolarHBondContact O-N 3.43Å; A186-E189 PolarHBondContact O-N 3.16Å; E189-L191 VanDerWaalsContact C-N 3.35Å; E189-L191 PolarHBondContact O-N 2.94Å; E189-K192 WeakPolarHBondContact O-CB 3.49Å; E189-K192 PolarHBondContact O-N 3.35Å; E189-K192 IonicContact OE1-NZ 3.45Å; E189-K192 PolarHBondContact OE1-NZ 2.89Å; E189-K192 IonicContact OE2-NZ 2.69Å; E189-K192 PolarHBondContact OE2-NZ 2.84Å; E189-L193 HydrophobicContact CG-CD1 4.16Å; E189-L193 HydrophobicContact CG-CG 4.29Å; E189-L193 WeakPolarHBondContact O-CB 3.25Å; E189-L193 VanDerWaalsContact O-CG 3.26Å; E189-L193 WeakPolarHBondContact O-CG 3.27Å; E189-L193 PolarHBondContact O-N 3.24Å; E189-L245 HydrophobicContact CB-CD2 3.99Å; E189-L245 HydrophobicContact CG-CD2 3.78Å
190Y98.6Very high96.6Very high1 Ų153.9 Ų53.90%0.00427%0.27CS..Hα-helixtrans-53.1-52172.8171.1-102.2000111.2A186 K192 L193 V194 L245 F255 F271 H274A186-Y190 VanDerWaalsContact O-CB 3.29Å; A186-Y190 WeakPolarHBondContact O-CB 3.41Å; A186-Y190 PolarHBondContact O-N 2.99Å; Y190-K192 VanDerWaalsContact C-N 3.32Å; Y190-K192 PolarHBondContact O-N 2.93Å; Y190-L193 PolarHBondContact O-N 3.4Å; Y190-V194 HydrophobicContact CD1-CG2 4.35Å; Y190-V194 HydrophobicContact CD2-CG2 4.1Å; Y190-V194 HydrophobicContact CE1-CG2 3.91Å; Y190-V194 HydrophobicContact CE2-CG2 3.65Å; Y190-V194 HydrophobicContact CG-CG2 4.44Å; Y190-V194 WeakPolarHBondContact O-CB 3.36Å; Y190-V194 WeakPolarHBondContact O-CG2 3.47Å; Y190-V194 PolarHBondContact O-N 3.38Å; Y190-L245 HydrophobicContact CD2-CD1 4.25Å; Y190-F255 AromaticContact CD1-CD1 3.55Å; Y190-F255 HydrophobicContact CD1-CD1 3.55Å; Y190-F255 AromaticContact CD1-CE1 3.52Å; Y190-F255 HydrophobicContact CD1-CE1 3.52Å; Y190-F255 HydrophobicContact CD1-CG 4.14Å; Y190-F255 HydrophobicContact CD1-CZ 4.1Å; Y190-F255 HydrophobicContact CD2-CB 4.14Å; Y190-F255 HydrophobicContact CD2-CD1 4.07Å; Y190-F255 AromaticContact CD2-CD2 3.89Å; Y190-F255 HydrophobicContact CD2-CD2 3.89Å; Y190-F255 HydrophobicContact CD2-CE1 4.45Å; Y190-F255 HydrophobicContact CD2-CE2 4.29Å; Y190-F255 AromaticContact CD2-CG 3.78Å; Y190-F255 HydrophobicContact CD2-CG 3.78Å; Y190-F255 AromaticContact CE1-CD1 3.64Å; Y190-F255 HydrophobicContact CE1-CD1 3.64Å; Y190-F255 HydrophobicContact CE1-CE1 4.06Å; Y190-F255 HydrophobicContact CE1-CG 4.22Å; Y190-F255 HydrophobicContact CE2-CB 3.74Å; Y190-F255 HydrophobicContact CE2-CD1 4.13Å; Y190-F255 HydrophobicContact CE2-CD2 4.37Å; Y190-F255 AromaticContact CE2-CG 3.84Å; Y190-F255 HydrophobicContact CE2-CG 3.84Å; Y190-F255 AromaticContact CG-CD1 3.78Å; Y190-F255 HydrophobicContact CG-CD1 3.78Å; Y190-F255 HydrophobicContact CG-CD2 4.03Å; Y190-F255 AromaticContact CG-CE1 3.75Å; Y190-F255 HydrophobicContact CG-CE1 3.75Å; Y190-F255 HydrophobicContact CG-CE2 4.01Å; Y190-F255 AromaticContact CG-CG 3.93Å; Y190-F255 HydrophobicContact CG-CG 3.93Å; Y190-F255 AromaticContact CG-CZ 3.88Å; Y190-F255 HydrophobicContact CG-CZ 3.88Å; Y190-F255 AromaticContact CZ-CD1 3.92Å; Y190-F255 PolarHBondContact OH-O 2.8Å; Y190-F255 VanDerWaalsContact OH-O 3.1Å; Y190-F271 HydrophobicContact CE2-CE2 4.43Å; Y190-H274 AromaticContact CZ-NE2 3.82Å; Y190-H274 PolarHBondContact OH-NE2 3.08Å
191L97.9Very high96.2Very high6 Ų655.1 Ų55.13%0.03128%0.277CS..Hα-helixtrans-63.7-37.6-179.5-77.9175.9000112.9Y172 S173 I187 D188 E189 K195 L282Y172-L191 HydrophobicContact CD1-CD1 4.02Å; Y172-L191 HydrophobicContact CD1-CD2 3.68Å; Y172-L191 HydrophobicContact CD1-CG 4.31Å; Y172-L191 HydrophobicContact CE1-CD1 4.36Å; Y172-L191 HydrophobicContact CE1-CD2 3.58Å; Y172-L191 HydrophobicContact CE1-CG 4.22Å; S173-L191 VanDerWaalsContact CB-CD1 3.5Å; I187-L191 HydrophobicContact CG2-CD1 4.23Å; I187-L191 WeakPolarHBondContact O-CB 3.18Å; I187-L191 WeakPolarHBondContact O-CG 3.39Å; I187-L191 PolarHBondContact O-N 3.3Å; D188-L191 PolarHBondContact O-N 3.17Å; E189-L191 VanDerWaalsContact C-N 3.35Å; E189-L191 PolarHBondContact O-N 2.94Å; L191-K195 WeakPolarHBondContact O-CB 3.11Å; L191-K195 VanDerWaalsContact O-CG 3.23Å; L191-K195 WeakPolarHBondContact O-CG 3.47Å; L191-K195 PolarHBondContact O-N 2.98Å; L191-L282 HydrophobicContact CD2-CD2 4.31Å
192K97.9Very high95.6Very high112 Ų11255.4 Ų55.449%0.48727%0.265SS..Hα-helixtrans-63.3-47.2174.3173.5177.2151.5-131.50110.9D188 E189 Y190 K196D188-K192 WeakPolarHBondContact O-CB 3.49Å; D188-K192 PolarHBondContact O-N 2.79Å; E189-K192 WeakPolarHBondContact O-CB 3.49Å; E189-K192 PolarHBondContact O-N 3.35Å; E189-K192 IonicContact OE1-NZ 3.45Å; E189-K192 PolarHBondContact OE1-NZ 2.89Å; E189-K192 IonicContact OE2-NZ 2.69Å; E189-K192 PolarHBondContact OE2-NZ 2.84Å; Y190-K192 VanDerWaalsContact C-N 3.32Å; Y190-K192 PolarHBondContact O-N 2.93Å; K192-K196 WeakPolarHBondContact O-CB 3.31Å; K192-K196 PolarHBondContact O-N 2.5Å
193L98.3Very high95.1Very high15 Ų1555.1 Ų55.18%0.07925%0.251CS..Hα-helixtrans-61.6-48.9178-70174.8000111.4E189 Y190 K195 K196 T197 Y229 V241 L245 F271E189-L193 HydrophobicContact CG-CD1 4.16Å; E189-L193 HydrophobicContact CG-CG 4.29Å; E189-L193 WeakPolarHBondContact O-CB 3.25Å; E189-L193 VanDerWaalsContact O-CG 3.26Å; E189-L193 WeakPolarHBondContact O-CG 3.27Å; E189-L193 PolarHBondContact O-N 3.24Å; Y190-L193 PolarHBondContact O-N 3.4Å; L193-K195 PolarHBondContact O-N 3.42Å; L193-K196 PolarHBondContact O-N 2.58Å; L193-T197 VanDerWaalsContact O-CB 3.24Å; L193-T197 WeakPolarHBondContact O-CB 3.33Å; L193-T197 PolarHBondContact O-N 2.84Å; L193-T197 PolarHBondContact O-OG1 2.88Å; L193-Y229 HydrophobicContact CD2-CE1 4.37Å; L193-Y229 WeakPolarHBondContact CD2-OH 3.48Å; L193-V241 HydrophobicContact CD1-CG1 4.05Å; L193-L245 HydrophobicContact CD1-CD1 4.29Å; L193-L245 HydrophobicContact CD1-CD2 4.17Å; L193-F271 HydrophobicContact CB-CE1 3.89Å; L193-F271 HydrophobicContact CB-CZ 3.74Å
194V97.8Very high94.8Very high0 Ų053.4 Ų53.40%024%0.243CC..Hα-helixtrans-56.5-53.3177.3163.80000110.9Y190 K196 T197 G198 F271 T278Y190-V194 HydrophobicContact CD1-CG2 4.35Å; Y190-V194 HydrophobicContact CD2-CG2 4.1Å; Y190-V194 HydrophobicContact CE1-CG2 3.91Å; Y190-V194 HydrophobicContact CE2-CG2 3.65Å; Y190-V194 HydrophobicContact CG-CG2 4.44Å; Y190-V194 WeakPolarHBondContact O-CB 3.36Å; Y190-V194 WeakPolarHBondContact O-CG2 3.47Å; Y190-V194 PolarHBondContact O-N 3.38Å; V194-K196 VanDerWaalsContact C-N 3.34Å; V194-K196 PolarHBondContact O-N 3.34Å; V194-T197 PolarHBondContact O-N 3.27Å; V194-G198 PolarHBondContact O-N 3.47Å; V194-F271 HydrophobicContact CG2-CE2 4.31Å; V194-F271 HydrophobicContact CG2-CZ 3.98Å; V194-T278 HydrophobicContact CG1-CG2 3.78Å
195K95.9Very high94.4Very high68 Ų6849.8 Ų49.830%0.29623%0.227SC..Hα-helixtrans-66.4-35-178-71.2171.6-177.1171.20113.1S169 L191 L193 R199 L282S169-K195 WeakPolarHBondContact OG-CE 3.42Å; S169-K195 PolarHBondContact OG-NZ 2.78Å; L191-K195 WeakPolarHBondContact O-CB 3.11Å; L191-K195 VanDerWaalsContact O-CG 3.23Å; L191-K195 WeakPolarHBondContact O-CG 3.47Å; L191-K195 PolarHBondContact O-N 2.98Å; L193-K195 PolarHBondContact O-N 3.42Å; K195-R199 WeakPolarHBondContact O-CG 3.3Å; K195-R199 PolarHBondContact O-N 3.03Å; K195-R199 PolarHBondContact O-NE 2.94Å; K195-L282 HydrophobicContact CG-CD1 4.09Å
196K96Very high93.9Very high104 Ų10443.6 Ų43.645%0.45220%0.204SC..Hα-helixtrans-71.9-40.7-179.9-170.2178.5177.4178.20110.6K192 L193 V194 Y229K192-K196 WeakPolarHBondContact O-CB 3.31Å; K192-K196 PolarHBondContact O-N 2.5Å; L193-K196 PolarHBondContact O-N 2.58Å; V194-K196 VanDerWaalsContact C-N 3.34Å; V194-K196 PolarHBondContact O-N 3.34Å; K196-Y229 HydrophobicContact CB-CD1 3.93Å; K196-Y229 HydrophobicContact CB-CE1 4.01Å; K196-Y229 HydrophobicContact CD-CD1 3.75Å; K196-Y229 HydrophobicContact CD-CD2 4.16Å; K196-Y229 HydrophobicContact CD-CE1 3.71Å; K196-Y229 HydrophobicContact CD-CE2 4.16Å; K196-Y229 HydrophobicContact CD-CG 3.96Å; K196-Y229 HydrophobicContact CG-CD1 3.51Å; K196-Y229 HydrophobicContact CG-CE1 3.87Å; K196-Y229 HydrophobicContact CG-CG 3.9Å
197T96.3Very high93.5Very high0 Ų043.4 Ų43.40%020%0.202CC..Hα-helixtrans-71.3-49.1178.1-53.50000111.2L193 V194 R199 G200 Y229 F230 M233 F271 A272 S275L193-T197 VanDerWaalsContact O-CB 3.24Å; L193-T197 WeakPolarHBondContact O-CB 3.33Å; L193-T197 PolarHBondContact O-N 2.84Å; L193-T197 PolarHBondContact O-OG1 2.88Å; V194-T197 PolarHBondContact O-N 3.27Å; T197-R199 VanDerWaalsContact C-N 3.25Å; T197-R199 PolarHBondContact O-N 3.39Å; T197-G200 PolarHBondContact O-N 3.29Å; T197-Y229 WeakPolarHBondContact OG1-CD1 3.41Å; T197-Y229 WeakPolarHBondContact OG1-CE1 3.34Å; T197-F230 HydrophobicContact CG2-CD2 4.33Å; T197-M233 HydrophobicContact CG2-CB 3.9Å; T197-M233 HydrophobicContact CG2-CG 4.36Å; T197-F271 HydrophobicContact CG2-CD1 4.34Å; T197-A272 HydrophobicContact CG2-CB 4Å; T197-S275 WeakPolarHBondContact CB-OG 3.29Å
198G92.4Very high93.2Very high7 Ų743.6 Ų43.67%0.07220%0.203CC..Hα-helixtrans-61.8-26.4-176.300000114.7V194 G200 L276V194-G198 PolarHBondContact O-N 3.47Å; G198-G200 PolarHBondContact O-N 3.09Å; G198-L276 WeakPolarHBondContact O-CD2 3.37Å
199R88.4Confident92.8Very high182 Ų18240.7 Ų40.769%0.68719%0.187SC*.THydrogen-bonded Turntrans-65-18.7174.2-81.6-178.7-108.7-178.4-7.9114K195 T197 I201K195-R199 WeakPolarHBondContact O-CG 3.3Å; K195-R199 PolarHBondContact O-N 3.03Å; K195-R199 PolarHBondContact O-NE 2.94Å; T197-R199 VanDerWaalsContact C-N 3.25Å; T197-R199 PolarHBondContact O-N 3.39Å; R199-I201 VanDerWaalsContact C-N 3.33Å; R199-I201 PolarHBondContact O-N 3.23Å
200G86Confident92.3Very high10 Ų1037.8 Ų37.810%0.10317%0.174CC..THydrogen-bonded Turntrans-84.14.5-173.300000115.9T197 G198 W202 V203T197-G200 PolarHBondContact O-N 3.29Å; G198-G200 PolarHBondContact O-N 3.09Å; G200-W202 PolarHBondContact O-N 2.8Å; G200-W202 VanDerWaalsContact O-N 3.15Å; G200-V203 WeakPolarHBondContact O-CB 3.36Å; G200-V203 PolarHBondContact O-N 2.79Å
201I87.9Confident91.8Very high35 Ų3540 Ų4018%0.17919%0.188CC..Hα-helixtrans-53.3-35.5178.4-171.755.1000113.5R199 V203 M204 A205 L276 F566 L567R199-I201 VanDerWaalsContact C-N 3.33Å; R199-I201 PolarHBondContact O-N 3.23Å; I201-V203 PolarHBondContact O-N 2.54Å; I201-M204 HydrophobicContact CD1-CB 4.47Å; I201-M204 HydrophobicContact CD1-CE 3.41Å; I201-M204 VanDerWaalsContact CD1-CE 3.41Å; I201-M204 HydrophobicContact CD1-SD 4.24Å; I201-M204 WeakPolarHBondContact O-CB 3.46Å; I201-M204 PolarHBondContact O-N 3.16Å; I201-A205 PolarHBondContact O-N 2.9Å; I201-L276 HydrophobicContact CB-CD2 3.61Å; I201-L276 HydrophobicContact CD1-CD1 3.81Å; I201-L276 HydrophobicContact CD1-CD2 4.02Å; I201-L276 HydrophobicContact CG1-CD2 4.11Å; I201-F566 HydrophobicContact CD1-CE1 4.21Å; I201-F566 HydrophobicContact CD1-CZ 4.12Å; I201-F566 HydrophobicContact CG1-CE1 4.48Å; I201-F566 HydrophobicContact CG1-CZ 4.3Å; I201-L567 HydrophobicContact CD1-CD1 3.6Å
202W86.1Confident91.4Very high112 Ų11243 Ų4342%0.42420%0.204SC..Hα-helixtrans-61.8-29.5179.2-64.2100.2000112.7G200 M204 A205 V206 H590 F594G200-W202 PolarHBondContact O-N 2.8Å; G200-W202 VanDerWaalsContact O-N 3.15Å; W202-M204 VanDerWaalsContact C-N 3.3Å; W202-M204 PolarHBondContact O-N 3.22Å; W202-A205 PolarHBondContact O-N 2.89Å; W202-V206 WeakPolarHBondContact O-CG2 3.37Å; W202-V206 PolarHBondContact O-N 3.11Å; W202-H590 HydrophobicContact CE3-CB 4.41Å; W202-H590 HydrophobicContact CZ3-CB 3.74Å; W202-F594 HydrophobicContact CH2-CB 4.19Å; W202-F594 HydrophobicContact CZ2-CD2 4.42Å
203V88.4Confident91.1Very high53 Ų5342.4 Ų42.432%0.32121%0.212SC..Hα-helixtrans-65.8-37.5175.9-171.80000110.5G200 I201 V206 L207 Y231G200-V203 WeakPolarHBondContact O-CB 3.36Å; G200-V203 PolarHBondContact O-N 2.79Å; I201-V203 PolarHBondContact O-N 2.54Å; V203-V206 PolarHBondContact O-N 3.06Å; V203-L207 VanDerWaalsContact O-CB 3.31Å; V203-L207 WeakPolarHBondContact O-CB 3.11Å; V203-L207 PolarHBondContact O-N 3.42Å; V203-Y231 HydrophobicContact CB-CE2 4.29Å; V203-Y231 HydrophobicContact CG1-CD2 4.09Å; V203-Y231 HydrophobicContact CG1-CE2 3.86Å
204M90.5Very high90.7Very high5 Ų542.6 Ų42.63%0.02521%0.213CC..Hα-helixtrans-64.8-43.5175-173.8-174.478.500111.4I201 W202 L207 K208 Y231 T546 F566 L567I201-M204 HydrophobicContact CD1-CB 4.47Å; I201-M204 HydrophobicContact CD1-CE 3.41Å; I201-M204 VanDerWaalsContact CD1-CE 3.41Å; I201-M204 HydrophobicContact CD1-SD 4.24Å; I201-M204 WeakPolarHBondContact O-CB 3.46Å; I201-M204 PolarHBondContact O-N 3.16Å; W202-M204 VanDerWaalsContact C-N 3.3Å; W202-M204 PolarHBondContact O-N 3.22Å; M204-L207 PolarHBondContact O-N 3.37Å; M204-K208 WeakPolarHBondContact O-CG 3.44Å; M204-K208 PolarHBondContact O-N 2.98Å; M204-Y231 WeakPolarHBondContact CA-OH 3.25Å; M204-T546 HydrophobicContact CG-CG2 3.7Å; M204-F566 HydrophobicContact CE-CD1 3.95Å; M204-F566 HydrophobicContact CE-CD2 3.62Å; M204-F566 HydrophobicContact CE-CE1 3.68Å; M204-F566 HydrophobicContact CE-CE2 3.33Å; M204-F566 HydrophobicContact CE-CG 3.92Å; M204-F566 HydrophobicContact CE-CZ 3.36Å; M204-L567 HydrophobicContact CE-CD1 3.94Å; M204-L567 HydrophobicContact CE-CD2 4.28Å; M204-L567 HydrophobicContact CE-CG 3.87Å; M204-L567 HydrophobicContact SD-CD2 4.43Å
205A90.1Very high90.4Very high4 Ų442.6 Ų42.63%0.03321%0.213CC..Hα-helixtrans-60.4-47.8174.800000111.5I201 W202 L207 K208 L209 F566I201-A205 PolarHBondContact O-N 2.9Å; W202-A205 PolarHBondContact O-N 2.89Å; A205-L207 VanDerWaalsContact C-N 3.34Å; A205-L207 PolarHBondContact O-N 3.31Å; A205-K208 PolarHBondContact O-N 3.5Å; A205-L209 WeakPolarHBondContact O-CG 3.34Å; A205-L209 PolarHBondContact O-N 3.46Å; A205-F566 HydrophobicContact CB-CE2 4.2Å; A205-F566 HydrophobicContact CB-CZ 4.47Å
206V88.3Confident90.2Very high56 Ų5645.3 Ų45.334%0.33923%0.225SC..Hα-helixtrans-59.6-43.5177.1170.20000111.6W202 V203 K208 L209 C210W202-V206 WeakPolarHBondContact O-CG2 3.37Å; W202-V206 PolarHBondContact O-N 3.11Å; V203-V206 PolarHBondContact O-N 3.06Å; V206-K208 VanDerWaalsContact C-N 3.3Å; V206-K208 PolarHBondContact O-N 3.17Å; V206-L209 PolarHBondContact O-N 3.27Å; V206-C210 WeakPolarHBondContact O-CB 3.31Å; V206-C210 PolarHBondContact O-N 3.28Å; V206-C210 PolarHBondContact O-SG 2.82Å
207L90.5Very high90Very high4 Ų445.4 Ų45.42%0.02123%0.226CC..Hα-helixtrans-68-28.4-179-168.664.1000112.9V203 M204 A205 A215 I219 V224 Y231 P543 T546 R550V203-L207 VanDerWaalsContact O-CB 3.31Å; V203-L207 WeakPolarHBondContact O-CB 3.11Å; V203-L207 PolarHBondContact O-N 3.42Å; M204-L207 PolarHBondContact O-N 3.37Å; A205-L207 VanDerWaalsContact C-N 3.34Å; A205-L207 PolarHBondContact O-N 3.31Å; L207-A215 HydrophobicContact CD1-CB 3.7Å; L207-A215 HydrophobicContact CG-CB 4.49Å; L207-I219 HydrophobicContact CD1-CD1 4.31Å; L207-I219 HydrophobicContact CD1-CG1 4.38Å; L207-I219 HydrophobicContact CD2-CD1 4.24Å; L207-I219 HydrophobicContact CD2-CG1 4.43Å; L207-V224 HydrophobicContact CD1-CG2 4.32Å; L207-V224 HydrophobicContact CD2-CG1 4.41Å; L207-Y231 HydrophobicContact CD2-CE2 4.21Å; L207-P543 HydrophobicContact CD2-CB 4.15Å; L207-T546 HydrophobicContact CB-CG2 3.97Å; L207-T546 HydrophobicContact CD2-CG2 3.88Å; L207-T546 HydrophobicContact CG-CG2 4.08Å; L207-R550 PolarHBondContact O-NH2 3.43Å
208K92.2Very high89.7Confident3 Ų346.6 Ų46.61%0.01323%0.232CC..Hα-helixtrans-75-36.8172.5-75.1179.3-178.3-75.50112.6M204 A205 V206 T546 I549 R550 V565 F566 T579M204-K208 WeakPolarHBondContact O-CG 3.44Å; M204-K208 PolarHBondContact O-N 2.98Å; A205-K208 PolarHBondContact O-N 3.5Å; V206-K208 VanDerWaalsContact C-N 3.3Å; V206-K208 PolarHBondContact O-N 3.17Å; K208-T546 HydrophobicContact CD-CG2 4.35Å; K208-T546 HydrophobicContact CG-CG2 3.62Å; K208-T546 WeakPolarHBondContact CG-O 3.48Å; K208-I549 PolarHBondContact NZ-O 2.85Å; K208-R550 PolarHBondContact O-NH1 3.17Å; K208-V565 WeakPolarHBondContact CE-O 3.18Å; K208-V565 PolarHBondContact NZ-O 3.45Å; K208-F566 HydrophobicContact CD-CD2 4.11Å; K208-T579 HydrophobicContact CB-CG2 4.08Å; K208-T579 HydrophobicContact CD-CG2 4.38Å
209L90.6Very high89.7Confident12 Ų1247.4 Ų47.46%0.06323%0.234CC..Hα-helixtrans-82.8-41-176.5-64.8177.2000112.5Y19 A205 V206 T579 V583Y19-L209 HydrophobicContact CE1-CB 4.22Å; Y19-L209 PolarHBondContact OH-O 2.94Å; A205-L209 WeakPolarHBondContact O-CG 3.34Å; A205-L209 PolarHBondContact O-N 3.46Å; V206-L209 PolarHBondContact O-N 3.27Å; L209-T579 HydrophobicContact CD2-CG2 3.83Å; L209-T579 HydrophobicContact CG-CG2 4.42Å; L209-V583 HydrophobicContact CD2-CG2 4.15Å
210C88.1Confident89.9Confident4 Ų447.1 Ų47.13%0.02724%0.24CC..SBendtrans-62153.4-173.4770000112.6Y19 V206 L212 L214 R550Y19-C210 HydrophobicContact CD1-CB 4.43Å; Y19-C210 HydrophobicContact CE1-CB 4.32Å; V206-C210 WeakPolarHBondContact O-CB 3.31Å; V206-C210 PolarHBondContact O-N 3.28Å; V206-C210 PolarHBondContact O-SG 2.82Å; C210-L212 PolarHBondContact O-N 2.93Å; C210-L214 HydrophobicContact CB-CD2 4.15Å; C210-R550 PolarHBondContact O-NH1 3.16Å; C210-R550 PolarHBondContact O-NH2 3.3Å; C210-R550 VanDerWaalsContact O-NH2 3.12Å
211P88.4Confident90.2Very high47 Ų4749.5 Ų49.531%0.30525%0.253SS..  trans-52.2136.8-179.7-31.239.6000112.4F15 Y19 P213 L214 A215F15-P211 HydrophobicContact CE1-CG 4.08Å; F15-P211 HydrophobicContact CZ-CG 3.92Å; Y19-P211 HydrophobicContact CD2-CG 4.32Å; Y19-P211 HydrophobicContact CE2-CG 4.21Å; P211-P213 VanDerWaalsContact C-CD 3.47Å; P211-L214 WeakPolarHBondContact O-CA 3.33Å; P211-L214 WeakPolarHBondContact O-CB 3.33Å; P211-L214 PolarHBondContact O-N 3.14Å; P211-A215 PolarHBondContact O-N 2.8Å
212L90.2Very high90.3Very high70 Ų7048.8 Ų48.837%0.36625%0.254SS..Hα-helixtrans-56.5-39.6-172.6-173.963.6000114.2C210 L214 A215 K216 A547C210-L212 PolarHBondContact O-N 2.93Å; L212-L214 VanDerWaalsContact C-N 3.3Å; L212-L214 PolarHBondContact O-N 3.04Å; L212-A215 PolarHBondContact O-N 2.82Å; L212-K216 HydrophobicContact CD1-CG 4.42Å; L212-K216 HydrophobicContact CG-CD 4.34Å; L212-K216 HydrophobicContact CG-CG 4.49Å; L212-K216 WeakPolarHBondContact O-CB 3.48Å; L212-K216 WeakPolarHBondContact O-CG 3.22Å; L212-K216 PolarHBondContact O-N 2.74Å; L212-A547 HydrophobicContact CD1-CB 4.47Å; L212-A547 WeakPolarHBondContact CD1-O 3.48Å
213P90.9Very high90.4Very high100 Ų10046.2 Ų46.265%0.64925%0.248SC*.Hα-helixtrans-60.1-39.8174.8-2535.8000112.8P211 K216 F217P211-P213 VanDerWaalsContact C-CD 3.47Å; P213-K216 PolarHBondContact O-N 3.03Å; P213-F217 WeakPolarHBondContact O-CB 3.46Å; P213-F217 PolarHBondContact O-N 2.97Å
214L89Confident90.5Very high19 Ų1944.2 Ų44.210%0.09924%0.236CC..Hα-helixtrans-66.2-46.9175.9170.261.1000111.1L12 F15 I16 C210 P211 L212 K216 F217 L218L12-L214 HydrophobicContact CD1-CD1 3.26Å; F15-L214 HydrophobicContact CD1-CD2 3.61Å; F15-L214 HydrophobicContact CE1-CD2 3.52Å; I16-L214 HydrophobicContact CG1-CD2 4.2Å; C210-L214 HydrophobicContact CB-CD2 4.15Å; P211-L214 WeakPolarHBondContact O-CA 3.33Å; P211-L214 WeakPolarHBondContact O-CB 3.33Å; P211-L214 PolarHBondContact O-N 3.14Å; L212-L214 VanDerWaalsContact C-N 3.3Å; L212-L214 PolarHBondContact O-N 3.04Å; L214-K216 VanDerWaalsContact C-N 3.32Å; L214-K216 PolarHBondContact O-N 3.49Å; L214-F217 WeakPolarHBondContact O-CB 3.38Å; L214-F217 PolarHBondContact O-N 2.66Å; L214-L218 HydrophobicContact CD1-CD1 4.02Å; L214-L218 HydrophobicContact CD1-CD2 4.32Å; L214-L218 HydrophobicContact CD1-CG 3.89Å; L214-L218 HydrophobicContact CG-CD1 4.11Å; L214-L218 HydrophobicContact CG-CG 4.41Å; L214-L218 WeakPolarHBondContact O-CG 3.19Å; L214-L218 PolarHBondContact O-N 2.82Å
215A91.5Very high90.3Very high0 Ų048.9 Ų48.90%026%0.257CS..Hα-helixtrans-56-48.3176.200000111.3L207 P211 L212 F217 L218 I219 A547 R550L207-A215 HydrophobicContact CD1-CB 3.7Å; L207-A215 HydrophobicContact CG-CB 4.49Å; P211-A215 PolarHBondContact O-N 2.8Å; L212-A215 PolarHBondContact O-N 2.82Å; A215-F217 VanDerWaalsContact C-N 3.34Å; A215-F217 PolarHBondContact O-N 3.31Å; A215-L218 PolarHBondContact O-N 3.13Å; A215-I219 WeakPolarHBondContact O-CB 3.33Å; A215-I219 WeakPolarHBondContact O-CD1 3.17Å; A215-I219 WeakPolarHBondContact O-CG1 3.43Å; A215-I219 PolarHBondContact O-N 3.13Å; A215-A547 HydrophobicContact CB-CB 4.17Å; A215-R550 VanDerWaalsContact CB-NH2 3.28Å
216K92.4Very high90.2Very high124 Ų12456.3 Ų56.354%0.53929%0.29SS..Hα-helixtrans-59.6-42176.5-73.5179.3178.1179.80112.3L212 P213 L214 I219 H220L212-K216 HydrophobicContact CD1-CG 4.42Å; L212-K216 HydrophobicContact CG-CD 4.34Å; L212-K216 HydrophobicContact CG-CG 4.49Å; L212-K216 WeakPolarHBondContact O-CB 3.48Å; L212-K216 WeakPolarHBondContact O-CG 3.22Å; L212-K216 PolarHBondContact O-N 2.74Å; P213-K216 PolarHBondContact O-N 3.03Å; L214-K216 VanDerWaalsContact C-N 3.32Å; L214-K216 PolarHBondContact O-N 3.49Å; K216-I219 PolarHBondContact O-N 2.8Å; K216-H220 VanDerWaalsContact O-CB 3.26Å; K216-H220 WeakPolarHBondContact O-CB 3.16Å; K216-H220 PolarHBondContact O-N 3.25Å
217F91.8Very high89.9Confident107 Ų10760.4 Ų60.447%0.46931%0.309SS..Hα-helixtrans-61.5-48.7176.2172.9-96.7000112.2L12 P213 L214 A215 I219 H220 T221L12-F217 HydrophobicContact CD2-CE1 4.43Å; P213-F217 WeakPolarHBondContact O-CB 3.46Å; P213-F217 PolarHBondContact O-N 2.97Å; L214-F217 WeakPolarHBondContact O-CB 3.38Å; L214-F217 PolarHBondContact O-N 2.66Å; A215-F217 VanDerWaalsContact C-N 3.34Å; A215-F217 PolarHBondContact O-N 3.31Å; F217-I219 PolarHBondContact O-N 3.44Å; F217-H220 PolarHBondContact O-N 3.42Å; F217-T221 HydrophobicContact CD2-CG2 4.1Å; F217-T221 HydrophobicContact CE1-CG2 4.33Å; F217-T221 HydrophobicContact CE2-CG2 3.73Å; F217-T221 HydrophobicContact CZ-CG2 3.85Å; F217-T221 WeakPolarHBondContact O-CB 3.4Å; F217-T221 WeakPolarHBondContact O-CG2 3.46Å; F217-T221 PolarHBondContact O-N 2.97Å; F217-T221 PolarHBondContact O-OG1 3Å
218L90.6Very high89.9Confident24 Ų2460.4 Ų60.413%0.12631%0.31CS..Hα-helixtrans-61.6-35.5179.3-66.5173000112L12 L214 A215 T221 L223 V224L12-L218 HydrophobicContact CD1-CD2 4.47Å; L12-L218 HydrophobicContact CD2-CD2 4.09Å; L214-L218 HydrophobicContact CD1-CD1 4.02Å; L214-L218 HydrophobicContact CD1-CD2 4.32Å; L214-L218 HydrophobicContact CD1-CG 3.89Å; L214-L218 HydrophobicContact CG-CD1 4.11Å; L214-L218 HydrophobicContact CG-CG 4.41Å; L214-L218 WeakPolarHBondContact O-CG 3.19Å; L214-L218 PolarHBondContact O-N 2.82Å; A215-L218 PolarHBondContact O-N 3.13Å; L218-T221 PolarHBondContact O-OG1 3.35Å; L218-L223 HydrophobicContact CD2-CB 4.46Å; L218-L223 HydrophobicContact CD2-CD1 4.18Å; L218-L223 PolarHBondContact O-N 3.2Å; L218-L223 VanDerWaalsContact O-N 3.16Å; L218-V224 HydrophobicContact CB-CG2 3.67Å; L218-V224 PolarHBondContact O-N 3.15Å
219I92.8Very high90Very high25 Ų2562.9 Ų62.913%0.12832%0.319CS..Hα-helixtrans-71.3-52.8177.7-70.6168.9000110.8L207 A215 K216 F217 T221 G222 V224 P543 E544 A547L207-I219 HydrophobicContact CD1-CD1 4.31Å; L207-I219 HydrophobicContact CD1-CG1 4.38Å; L207-I219 HydrophobicContact CD2-CD1 4.24Å; L207-I219 HydrophobicContact CD2-CG1 4.43Å; A215-I219 WeakPolarHBondContact O-CB 3.33Å; A215-I219 WeakPolarHBondContact O-CD1 3.17Å; A215-I219 WeakPolarHBondContact O-CG1 3.43Å; A215-I219 PolarHBondContact O-N 3.13Å; K216-I219 PolarHBondContact O-N 2.8Å; F217-I219 PolarHBondContact O-N 3.44Å; I219-T221 VanDerWaalsContact C-N 3.27Å; I219-T221 PolarHBondContact O-N 2.87Å; I219-G222 PolarHBondContact O-N 3.12Å; I219-V224 HydrophobicContact CG1-CG2 4.08Å; I219-P543 HydrophobicContact CD1-CB 4.07Å; I219-P543 WeakPolarHBondContact CD1-O 3.44Å; I219-P543 HydrophobicContact CG1-CB 3.79Å; I219-P543 HydrophobicContact CG2-CB 4.44Å; I219-E544 HydrophobicContact CG2-CG 3.97Å; I219-E544 WeakPolarHBondContact CG2-OE1 3.31Å; I219-A547 HydrophobicContact CD1-CB 3.56Å
220H92.8Very high90.2Very high175 Ų17562.3 Ų62.381%0.8132%0.316SS*.Hα-helixtrans-62.8-33.9-175.8-173.874.5000112.7K216 F217 G222K216-H220 VanDerWaalsContact O-CB 3.26Å; K216-H220 WeakPolarHBondContact O-CB 3.16Å; K216-H220 PolarHBondContact O-N 3.25Å; F217-H220 PolarHBondContact O-N 3.42Å; H220-G222 VanDerWaalsContact C-N 3.25Å; H220-G222 PolarHBondContact O-N 3.29Å
221T91.4Very high90.6Very high60 Ų6062.2 Ų62.237%0.36832%0.315SS..THydrogen-bonded Turntrans-78.4-5.2175.254.80000113.7F217 L218 I219 L223F217-T221 HydrophobicContact CD2-CG2 4.1Å; F217-T221 HydrophobicContact CE1-CG2 4.33Å; F217-T221 HydrophobicContact CE2-CG2 3.73Å; F217-T221 HydrophobicContact CZ-CG2 3.85Å; F217-T221 WeakPolarHBondContact O-CB 3.4Å; F217-T221 WeakPolarHBondContact O-CG2 3.46Å; F217-T221 PolarHBondContact O-N 2.97Å; F217-T221 PolarHBondContact O-OG1 3Å; L218-T221 PolarHBondContact O-OG1 3.35Å; I219-T221 VanDerWaalsContact C-N 3.27Å; I219-T221 PolarHBondContact O-N 2.87Å; T221-L223 PolarHBondContact O-N 3.26Å; T221-L223 WeakPolarHBondContact OG1-CG 3.46Å
222G90.6Very high90.9Very high20 Ų2066 Ų6621%0.20633%0.327CS..SBendtrans73.3-2.1-176.500000114.8I219 H220 V224 K225 H226I219-G222 PolarHBondContact O-N 3.12Å; H220-G222 VanDerWaalsContact C-N 3.25Å; H220-G222 PolarHBondContact O-N 3.29Å; G222-V224 PolarHBondContact O-N 2.72Å; G222-V224 VanDerWaalsContact O-N 3.16Å; G222-K225 PolarHBondContact O-N 2.81Å; G222-H226 PolarHBondContact O-CD2 3.39Å; G222-H226 PolarHBondContact O-N 3.36Å
223L88.1Confident91.2Very high58 Ų5863.1 Ų63.130%0.30431%0.312SS..Hα-helixtrans-56-35.8-177-75.1175.3000112.6L218 T221 K225 H226 L227L218-L223 HydrophobicContact CD2-CB 4.46Å; L218-L223 HydrophobicContact CD2-CD1 4.18Å; L218-L223 PolarHBondContact O-N 3.2Å; L218-L223 VanDerWaalsContact O-N 3.16Å; T221-L223 PolarHBondContact O-N 3.26Å; T221-L223 WeakPolarHBondContact OG1-CG 3.46Å; L223-K225 VanDerWaalsContact C-N 3.32Å; L223-K225 PolarHBondContact O-N 2.82Å; L223-H226 PolarHBondContact O-N 2.96Å; L223-L227 HydrophobicContact CB-CD1 4.4Å; L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 VanDerWaalsContact O-CG 3.32Å; L223-L227 WeakPolarHBondContact O-CG 3.08Å; L223-L227 PolarHBondContact O-N 2.85Å
224V89.2Confident91.4Very high12 Ų1258.4 Ų58.47%0.07328%0.282CS..Hα-helixtrans-56.8-45.1176.7176.40000111.6L207 L218 I219 G222 S228 Y231 P543L207-V224 HydrophobicContact CD1-CG2 4.32Å; L207-V224 HydrophobicContact CD2-CG1 4.41Å; L218-V224 HydrophobicContact CB-CG2 3.67Å; L218-V224 PolarHBondContact O-N 3.15Å; I219-V224 HydrophobicContact CG1-CG2 4.08Å; G222-V224 PolarHBondContact O-N 2.72Å; G222-V224 VanDerWaalsContact O-N 3.16Å; V224-S228 WeakPolarHBondContact O-CB 3.36Å; V224-S228 PolarHBondContact O-N 3.46Å; V224-Y231 HydrophobicContact CG1-CD2 3.17Å; V224-Y231 HydrophobicContact CG1-CE2 3.69Å; V224-Y231 HydrophobicContact CG1-CG 3.67Å; V224-P543 HydrophobicContact CG1-CB 4.14Å; V224-P543 HydrophobicContact CG1-CG 3.91Å
225K88Confident91.8Very high103 Ų10361.5 Ų61.545%0.44830%0.303SS..Hα-helixtrans-74.3-31.2-178.6-65.8178.7-177.81730112.1G222 L223G222-K225 PolarHBondContact O-N 2.81Å; L223-K225 VanDerWaalsContact C-N 3.32Å; L223-K225 PolarHBondContact O-N 2.82Å
226H86.1Confident92Very high159 Ų15964.6 Ų64.674%0.73631%0.314SS*.Hα-helixtrans-74.5-39.9177.7-69.8-60.5000112.9G222 L223G222-H226 PolarHBondContact O-CD2 3.39Å; G222-H226 PolarHBondContact O-N 3.36Å; L223-H226 PolarHBondContact O-N 2.96Å
227L83.8Confident92.3Very high142 Ų14258.9 Ų58.974%0.74329%0.29SS*.Hα-helixtrans-88.6-21.5-176.6-61175.9000113L223L223-L227 HydrophobicContact CB-CD1 4.4Å; L223-L227 WeakPolarHBondContact O-CB 3.39Å; L223-L227 VanDerWaalsContact O-CG 3.32Å; L223-L227 WeakPolarHBondContact O-CG 3.08Å; L223-L227 PolarHBondContact O-N 2.85Å
228S90.6Very high92.7Very high4 Ų453.8 Ų53.83%0.02827%0.268CS..  trans-114.2109.6-178.5-173.80000111.9V224 F230 Y231 K232V224-S228 WeakPolarHBondContact O-CB 3.36Å; V224-S228 PolarHBondContact O-N 3.46Å; S228-F230 PolarHBondContact O-N 3.47Å; S228-F230 WeakPolarHBondContact OG-CB 3.37Å; S228-F230 PolarHBondContact OG-N 2.96Å; S228-Y231 PolarHBondContact O-N 3.34Å; S228-Y231 VanDerWaalsContact O-N 3.16Å; S228-Y231 PolarHBondContact OG-N 2.9Å; S228-K232 PolarHBondContact O-N 3.34Å
229Y93.6Very high93Very high56 Ų5653.5 Ų53.522%0.2227%0.267CS..Hα-helixtrans-60.4-27.9171.9-162.4-104.7000112.1L193 K196 T197 K232 M233L193-Y229 HydrophobicContact CD2-CE1 4.37Å; L193-Y229 WeakPolarHBondContact CD2-OH 3.48Å; K196-Y229 HydrophobicContact CB-CD1 3.93Å; K196-Y229 HydrophobicContact CB-CE1 4.01Å; K196-Y229 HydrophobicContact CD-CD1 3.75Å; K196-Y229 HydrophobicContact CD-CD2 4.16Å; K196-Y229 HydrophobicContact CD-CE1 3.71Å; K196-Y229 HydrophobicContact CD-CE2 4.16Å; K196-Y229 HydrophobicContact CD-CG 3.96Å; K196-Y229 HydrophobicContact CG-CD1 3.51Å; K196-Y229 HydrophobicContact CG-CE1 3.87Å; K196-Y229 HydrophobicContact CG-CG 3.9Å; T197-Y229 WeakPolarHBondContact OG1-CD1 3.41Å; T197-Y229 WeakPolarHBondContact OG1-CE1 3.34Å; Y229-K232 HydrophobicContact CD2-CD 4.09Å; Y229-K232 HydrophobicContact CE2-CD 4.15Å; Y229-K232 PolarHBondContact O-N 2.98Å; Y229-M233 HydrophobicContact CD1-CG 3.88Å; Y229-M233 HydrophobicContact CE1-CG 3.52Å; Y229-M233 HydrophobicContact CE1-SD 4.15Å; Y229-M233 HydrophobicContact CE2-CG 4.37Å; Y229-M233 HydrophobicContact CE2-SD 4.42Å; Y229-M233 HydrophobicContact CG-CG 4.47Å; Y229-M233 WeakPolarHBondContact O-CG 3.24Å; Y229-M233 PolarHBondContact O-N 3.3Å
230F94.9Very high93.3Very high0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-59.3-52.2172.9178.1-90.3000111.8T197 S228 K232 M233 A234 A272 L276 F541T197-F230 HydrophobicContact CG2-CD2 4.33Å; S228-F230 PolarHBondContact O-N 3.47Å; S228-F230 WeakPolarHBondContact OG-CB 3.37Å; S228-F230 PolarHBondContact OG-N 2.96Å; F230-K232 VanDerWaalsContact C-N 3.33Å; F230-K232 PolarHBondContact O-N 3.29Å; F230-M233 PolarHBondContact O-N 2.98Å; F230-A234 WeakPolarHBondContact O-CB 3.48Å; F230-A234 PolarHBondContact O-N 2.62Å; F230-A272 HydrophobicContact CD2-CB 3.84Å; F230-A272 HydrophobicContact CE1-CB 4.4Å; F230-A272 HydrophobicContact CE2-CB 3.63Å; F230-A272 HydrophobicContact CG-CB 4.31Å; F230-A272 HydrophobicContact CZ-CB 3.95Å; F230-L276 HydrophobicContact CD2-CD2 4.41Å; F230-L276 HydrophobicContact CE2-CD1 3.68Å; F230-L276 HydrophobicContact CE2-CD2 3.93Å; F230-L276 HydrophobicContact CE2-CG 3.8Å; F230-L276 HydrophobicContact CZ-CD1 4.07Å; F230-F541 HydrophobicContact CE1-CD1 4.31Å; F230-F541 AromaticContact CZ-CD1 3.79Å; F230-F541 HydrophobicContact CZ-CD1 3.79Å; F230-F541 HydrophobicContact CZ-CE1 4.29Å
231Y95.2Very high93.6Very high1 Ų148 Ų480%0.00424%0.244CC..Hα-helixtrans-75.4-21.6178.9-73.4-63.6000113.8V203 M204 L207 V224 S228 A234 P235 F541 P543 T546V203-Y231 HydrophobicContact CB-CE2 4.29Å; V203-Y231 HydrophobicContact CG1-CD2 4.09Å; V203-Y231 HydrophobicContact CG1-CE2 3.86Å; M204-Y231 WeakPolarHBondContact CA-OH 3.25Å; L207-Y231 HydrophobicContact CD2-CE2 4.21Å; V224-Y231 HydrophobicContact CG1-CD2 3.17Å; V224-Y231 HydrophobicContact CG1-CE2 3.69Å; V224-Y231 HydrophobicContact CG1-CG 3.67Å; S228-Y231 PolarHBondContact O-N 3.34Å; S228-Y231 VanDerWaalsContact O-N 3.16Å; S228-Y231 PolarHBondContact OG-N 2.9Å; Y231-A234 HydrophobicContact CD1-CB 4.42Å; Y231-P235 WeakPolarHBondContact O-CD 3.36Å; Y231-F541 WeakPolarHBondContact CD1-O 3.3Å; Y231-F541 WeakPolarHBondContact CE1-O 3.44Å; Y231-P543 HydrophobicContact CD1-CB 4.43Å; Y231-P543 HydrophobicContact CD1-CG 3.51Å; Y231-P543 HydrophobicContact CE1-CB 4.39Å; Y231-P543 HydrophobicContact CE1-CG 3.93Å; Y231-P543 HydrophobicContact CG-CG 3.85Å; Y231-T546 WeakPolarHBondContact OH-CB 3.49Å; Y231-T546 VanDerWaalsContact OH-CG2 3.26Å; Y231-T546 WeakPolarHBondContact OH-CG2 3.27Å; Y231-T546 PolarHBondContact OH-OG1 3.26Å
232K94.9Very high93.9Very high128 Ų12845.3 Ų45.356%0.55723%0.227SC*.Hα-helixtrans-64.5-41168-177.2175.7177.1174.30111.7S228 Y229 F230 P235S228-K232 PolarHBondContact O-N 3.34Å; Y229-K232 HydrophobicContact CD2-CD 4.09Å; Y229-K232 HydrophobicContact CE2-CD 4.15Å; Y229-K232 PolarHBondContact O-N 2.98Å; F230-K232 VanDerWaalsContact C-N 3.33Å; F230-K232 PolarHBondContact O-N 3.29Å; K232-P235 WeakPolarHBondContact O-CD 3.44Å
233M96.4Very high94.3Very high8 Ų847.2 Ų47.24%0.03923%0.233CC..Hα-helixtrans-89.7-20.5-178-64.6-59-68.100113.7T197 Y229 F230 R236 V241 F271T197-M233 HydrophobicContact CG2-CB 3.9Å; T197-M233 HydrophobicContact CG2-CG 4.36Å; Y229-M233 HydrophobicContact CD1-CG 3.88Å; Y229-M233 HydrophobicContact CE1-CG 3.52Å; Y229-M233 HydrophobicContact CE1-SD 4.15Å; Y229-M233 HydrophobicContact CE2-CG 4.37Å; Y229-M233 HydrophobicContact CE2-SD 4.42Å; Y229-M233 HydrophobicContact CG-CG 4.47Å; Y229-M233 WeakPolarHBondContact O-CG 3.24Å; Y229-M233 PolarHBondContact O-N 3.3Å; F230-M233 PolarHBondContact O-N 2.98Å; M233-R236 WeakPolarHBondContact O-CB 3.35Å; M233-R236 PolarHBondContact O-N 2.77Å; M233-V241 HydrophobicContact CE-CG2 3.99Å; M233-F271 HydrophobicContact CB-CD1 4.11Å; M233-F271 HydrophobicContact CE-CD1 3.6Å; M233-F271 HydrophobicContact CE-CE1 3.88Å; M233-F271 HydrophobicContact CE-CG 4.43Å; M233-F271 HydrophobicContact CG-CD1 4.48Å
234A95.8Very high94.8Very high2 Ų250.8 Ų50.82%0.01725%0.248CC..THydrogen-bonded Turntrans-48.3-42179.200000116.2F230 Y231 R236 S270 A272 F541F230-A234 WeakPolarHBondContact O-CB 3.48Å; F230-A234 PolarHBondContact O-N 2.62Å; Y231-A234 HydrophobicContact CD1-CB 4.42Å; A234-R236 PolarHBondContact O-N 3.14Å; A234-S270 WeakPolarHBondContact CA-OG 3.26Å; A234-S270 PolarHBondContact O-OG 2.98Å; A234-A272 HydrophobicContact CB-CB 3.99Å; A234-F541 HydrophobicContact CB-CB 3.9Å; A234-F541 WeakPolarHBondContact CB-O 3.48Å
235P96.3Very high95.2Very high83 Ų8351.9 Ų51.954%0.53925%0.253SS..THydrogen-bonded Turntrans-74.9-10.5179.930.2-36.6000114.1Y231 K232Y231-P235 WeakPolarHBondContact O-CD 3.36Å; K232-P235 WeakPolarHBondContact O-CD 3.44Å
236R97.6Very high95.7Very high65 Ų6547.4 Ų47.425%0.24524%0.235CC..SBendtrans-83.3133.7179.1-59.3-164.660.8-166-20110.1M233 A234 D240 V241 E244 F271M233-R236 WeakPolarHBondContact O-CB 3.35Å; M233-R236 PolarHBondContact O-N 2.77Å; A234-R236 PolarHBondContact O-N 3.14Å; R236-D240 PolarHBondContact NH2-O 2.82Å; R236-V241 HydrophobicContact CB-CG2 3.89Å; R236-E244 IonicContact CZ-OE1 3.56Å; R236-E244 IonicContact CZ-OE2 3.71Å; R236-E244 IonicContact NH1-OE1 3.68Å; R236-E244 IonicContact NH1-OE2 2.79Å; R236-E244 PolarHBondContact NH1-OE2 3.26Å; R236-E244 IonicContact NH2-OE1 3.95Å; R236-E244 PolarHBondContact NH2-OE1 3.05Å; R236-E244 IonicContact NH2-OE2 2.82Å; R236-E244 PolarHBondContact NH2-OE2 3.24Å; R236-F271 PolarHBondContact O-N 3.44Å
237S98.4Very high96.3Very high4 Ų447 Ų473%0.02823%0.233CC..BIsolated β-bridgetrans-68.2155.6170.576.20000110.5T239 D240 V241 K267 A269S237-T239 VanDerWaalsContact C-N 3.3Å; S237-D240 WeakPolarHBondContact CB-OD2 3.22Å; S237-D240 WeakPolarHBondContact OG-CB 3.2Å; S237-D240 PolarHBondContact OG-N 2.8Å; S237-D240 PolarHBondContact OG-OD1 2.64Å; S237-D240 PolarHBondContact OG-OD2 3.04Å; S237-V241 WeakPolarHBondContact O-CG2 3.37Å; S237-V241 PolarHBondContact O-N 2.75Å; S237-K267 WeakPolarHBondContact CB-O 3.37Å; S237-A269 CarbonylContact C-O 3.53Å; S237-A269 WeakPolarHBondContact CA-O 3.4Å
238L98.5Very high97Very high0 Ų042.9 Ų42.90%021%0.212CC..Hα-helixtrans-62.7-40.8173.9174.560.4000110.9V241 V242 T256 Y262 P266 A269 F271 H274L238-V241 PolarHBondContact O-N 3.21Å; L238-V242 HydrophobicContact CD1-CG1 3.96Å; L238-V242 WeakPolarHBondContact O-CG2 3.4Å; L238-V242 PolarHBondContact O-N 3.36Å; L238-T256 HydrophobicContact CD1-CG2 3.96Å; L238-T256 HydrophobicContact CD2-CG2 3.57Å; L238-T256 HydrophobicContact CG-CG2 3.5Å; L238-Y262 WeakPolarHBondContact CD2-OH 3.46Å; L238-P266 HydrophobicContact CB-CB 4.36Å; L238-P266 WeakPolarHBondContact CB-O 3.45Å; L238-P266 HydrophobicContact CD2-CB 4.12Å; L238-P266 HydrophobicContact CD2-CG 4.48Å; L238-P266 HydrophobicContact CG-CB 4.28Å; L238-P266 PolarHBondContact N-O 3.06Å; L238-A269 HydrophobicContact CB-CB 4.36Å; L238-A269 PolarHBondContact N-O 2.89Å; L238-F271 HydrophobicContact CD1-CD2 3.72Å; L238-F271 HydrophobicContact CD1-CE2 4.18Å; L238-H274 HydrophobicContact CD1-CB 4.07Å; L238-H274 VanDerWaalsContact CD1-CD2 3.49Å; L238-H274 WeakPolarHBondContact CD1-CD2 3.28Å; L238-H274 HydrophobicContact CD2-CB 4.07Å; L238-H274 VanDerWaalsContact CD2-ND1 3.35Å; L238-H274 WeakPolarHBondContact CD2-ND1 2.96Å
239T98.5Very high97.4Very high18 Ų1848.9 Ų48.911%0.1124%0.237CC..Hα-helixtrans-57.4-48.6176.8-61.70000112.4S237 V241 V242 N243 P266 K267 D413S237-T239 VanDerWaalsContact C-N 3.3Å; T239-V241 VanDerWaalsContact C-N 3.28Å; T239-V241 PolarHBondContact O-N 3.21Å; T239-V242 WeakPolarHBondContact O-CG2 3.48Å; T239-V242 PolarHBondContact O-N 3.45Å; T239-N243 WeakPolarHBondContact CG2-ND2 3.22Å; T239-N243 VanDerWaalsContact O-CB 3.3Å; T239-N243 WeakPolarHBondContact O-CB 3.15Å; T239-N243 PolarHBondContact O-N 3.38Å; T239-N243 PolarHBondContact O-ND2 2.8Å; T239-P266 PolarHBondContact N-O 2.94Å; T239-P266 VanDerWaalsContact OG1-CB 3.22Å; T239-P266 WeakPolarHBondContact OG1-CB 3.22Å; T239-K267 WeakPolarHBondContact OG1-CA 3.17Å; T239-K267 PolarHBondContact OG1-N 2.94Å; T239-D413 WeakPolarHBondContact CB-OD2 3.21Å; T239-D413 VanDerWaalsContact CG2-OD2 3.27Å; T239-D413 WeakPolarHBondContact CG2-OD2 2.76Å; T239-D413 PolarHBondContact OG1-OD2 2.7Å
240D98.5Very high97.6Very high84 Ų8447 Ų4745%0.44923%0.231SC..Hα-helixtrans-60.8-41-179.6-61-35.2000111.4R236 S237 E244R236-D240 PolarHBondContact NH2-O 2.82Å; S237-D240 WeakPolarHBondContact CB-OD2 3.22Å; S237-D240 WeakPolarHBondContact OG-CB 3.2Å; S237-D240 PolarHBondContact OG-N 2.8Å; S237-D240 PolarHBondContact OG-OD1 2.64Å; S237-D240 PolarHBondContact OG-OD2 3.04Å; D240-E244 WeakPolarHBondContact O-CG 3.35Å; D240-E244 PolarHBondContact O-N 2.96Å
241V98.6Very high97.8Very high1 Ų147 Ų471%0.00623%0.231CC..Hα-helixtrans-67.4-47-179.6177.50000111L193 M233 R236 S237 L238 T239 E244 L245 F271L193-V241 HydrophobicContact CD1-CG1 4.05Å; M233-V241 HydrophobicContact CE-CG2 3.99Å; R236-V241 HydrophobicContact CB-CG2 3.89Å; S237-V241 WeakPolarHBondContact O-CG2 3.37Å; S237-V241 PolarHBondContact O-N 2.75Å; L238-V241 PolarHBondContact O-N 3.21Å; T239-V241 VanDerWaalsContact C-N 3.28Å; T239-V241 PolarHBondContact O-N 3.21Å; V241-E244 PolarHBondContact O-N 3.42Å; V241-L245 HydrophobicContact CG1-CD1 4.46Å; V241-L245 WeakPolarHBondContact O-CG 3.44Å; V241-F271 HydrophobicContact CB-CD2 3.81Å; V241-F271 HydrophobicContact CB-CE2 4.19Å; V241-F271 HydrophobicContact CB-CG 4.15Å; V241-F271 HydrophobicContact CG1-CD1 4.43Å; V241-F271 HydrophobicContact CG1-CD2 3.74Å; V241-F271 HydrophobicContact CG1-CE1 4.31Å; V241-F271 HydrophobicContact CG1-CE2 3.61Å; V241-F271 HydrophobicContact CG1-CG 4.17Å; V241-F271 HydrophobicContact CG1-CZ 3.9Å; V241-F271 HydrophobicContact CG2-CB 3.87Å; V241-F271 HydrophobicContact CG2-CD1 4.26Å; V241-F271 HydrophobicContact CG2-CD2 3.96Å; V241-F271 HydrophobicContact CG2-CG 3.76Å
242V98.5Very high97.9Very high4 Ų448.8 Ų48.82%0.02424%0.238CC..Hα-helixtrans-72.4-30.1-177.6-59.40000112.8L238 T239 E244 L245 R252 F255 T256L238-V242 HydrophobicContact CD1-CG1 3.96Å; L238-V242 WeakPolarHBondContact O-CG2 3.4Å; L238-V242 PolarHBondContact O-N 3.36Å; T239-V242 WeakPolarHBondContact O-CG2 3.48Å; T239-V242 PolarHBondContact O-N 3.45Å; V242-E244 VanDerWaalsContact C-N 3.33Å; V242-L245 PolarHBondContact O-N 2.87Å; V242-R252 HydrophobicContact CB-CG 4.42Å; V242-R252 HydrophobicContact CG2-CB 4.23Å; V242-R252 HydrophobicContact CG2-CG 4.24Å; V242-F255 HydrophobicContact CB-CD2 4.4Å; V242-F255 HydrophobicContact CG1-CB 3.84Å; V242-F255 HydrophobicContact CG1-CD2 4.15Å; V242-F255 HydrophobicContact CG1-CG 4.49Å; V242-T256 HydrophobicContact CB-CG2 4.45Å; V242-T256 HydrophobicContact CG1-CG2 3.85Å; V242-T256 HydrophobicContact CG2-CG2 3.91Å
243N98.5Very high98.1Very high60 Ų6042.8 Ų42.832%0.32121%0.212SC..Hα-helixtrans-66.4-35.3176.5-75.1-9.6000112.3T239 L245 R252T239-N243 WeakPolarHBondContact CG2-ND2 3.22Å; T239-N243 VanDerWaalsContact O-CB 3.3Å; T239-N243 WeakPolarHBondContact O-CB 3.15Å; T239-N243 PolarHBondContact O-N 3.38Å; T239-N243 PolarHBondContact O-ND2 2.8Å; N243-L245 PolarHBondContact O-N 3.42Å; N243-R252 PolarHBondContact O-NH2 3.16Å; N243-R252 VanDerWaalsContact OD1-CD 3.23Å; N243-R252 WeakPolarHBondContact OD1-CD 3.46Å; N243-R252 PolarHBondContact OD1-NE 3.22Å; N243-R252 PolarHBondContact OD1-NH1 3.37Å; N243-R252 VanDerWaalsContact OD1-NH1 3.14Å
244E98.6Very high98.2Very high133 Ų13342.4 Ų42.462%0.62121%0.21SC*.THydrogen-bonded Turntrans-68-18.5174.4-76.2172.1-166.900113.8R236 D240 V241 V242R236-E244 IonicContact CZ-OE1 3.56Å; R236-E244 IonicContact CZ-OE2 3.71Å; R236-E244 IonicContact NH1-OE1 3.68Å; R236-E244 IonicContact NH1-OE2 2.79Å; R236-E244 PolarHBondContact NH1-OE2 3.26Å; R236-E244 IonicContact NH2-OE1 3.95Å; R236-E244 PolarHBondContact NH2-OE1 3.05Å; R236-E244 IonicContact NH2-OE2 2.82Å; R236-E244 PolarHBondContact NH2-OE2 3.24Å; D240-E244 WeakPolarHBondContact O-CG 3.35Å; D240-E244 PolarHBondContact O-N 2.96Å; V241-E244 PolarHBondContact O-N 3.42Å; V242-E244 VanDerWaalsContact C-N 3.33Å
245L98.6Very high98.3Very high34 Ų3442.3 Ų42.318%0.17821%0.209CC..THydrogen-bonded Turntrans-91.3-33.6-172.7-65.9175.9000113.6A186 E189 Y190 L193 V241 V242 N243A186-L245 HydrophobicContact CB-CB 4.36Å; A186-L245 WeakPolarHBondContact CB-O 3.09Å; E189-L245 HydrophobicContact CB-CD2 3.99Å; E189-L245 HydrophobicContact CG-CD2 3.78Å; Y190-L245 HydrophobicContact CD2-CD1 4.25Å; L193-L245 HydrophobicContact CD1-CD1 4.29Å; L193-L245 HydrophobicContact CD1-CD2 4.17Å; V241-L245 HydrophobicContact CG1-CD1 4.46Å; V241-L245 WeakPolarHBondContact O-CG 3.44Å; V242-L245 PolarHBondContact O-N 2.87Å; N243-L245 PolarHBondContact O-N 3.42Å
246T98.6Very high98.4Very high10 Ų1038.7 Ų38.76%0.06119%0.185CC..  trans-160152.4-172.6176.90000110.2E183 N248 L251 R252 F255E183-T246 PolarHBondContact OE1-OG1 2.78Å; E183-T246 WeakPolarHBondContact OE2-CB 3.49Å; E183-T246 PolarHBondContact OE2-OG1 3.03Å; T246-N248 WeakPolarHBondContact OG1-CB 3.36Å; T246-N248 PolarHBondContact OG1-N 3.31Å; T246-L251 HydrophobicContact CG2-CB 4.35Å; T246-L251 HydrophobicContact CG2-CD2 4.05Å; T246-L251 HydrophobicContact CG2-CG 4.21Å; T246-R252 HydrophobicContact CG2-CG 3.88Å; T246-R252 PolarHBondContact O-NE 3.31Å; T246-R252 PolarHBondContact O-NH2 2.91Å; T246-F255 HydrophobicContact CG2-CE2 4.41Å
247E98.2Very high98.4Very high151 Ų15136.1 Ų36.171%0.70618%0.176SC*.SBendtrans-91.3-6.2168.1-66.6-57.6149.200113.3K249 R252E247-K249 PolarHBondContact O-N 3.16Å; E247-K249 VanDerWaalsContact O-N 3.11Å; E247-R252 IonicContact OE1-NH2 3.3Å; E247-R252 PolarHBondContact OE1-NH2 2.93Å; E247-R252 IonicContact OE2-CZ 2.8Å; E247-R252 IonicContact OE2-NH1 2.74Å; E247-R252 IonicContact OE2-NH2 3.32Å; E247-R252 PolarHBondContact OE2-NH2 3.06Å
248N98.5Very high98.3Very high54 Ų5436.1 Ų36.129%0.28918%0.175SC..  trans-72.7106.2179.9-172.4-40.8000111E183 T246 D250 L251 R252E183-N248 HydrophobicContact CG-CB 4.38Å; E183-N248 WeakPolarHBondContact OE1-CB 3.42Å; T246-N248 WeakPolarHBondContact OG1-CB 3.36Å; T246-N248 PolarHBondContact OG1-N 3.31Å; N248-D250 VanDerWaalsContact C-N 3.32Å; N248-D250 PolarHBondContact O-N 3.25Å; N248-D250 PolarHBondContact OD1-N 2.9Å; N248-D250 VanDerWaalsContact OD1-N 3.12Å; N248-L251 HydrophobicContact CB-CB 3.94Å; N248-L251 PolarHBondContact O-N 3.12Å; N248-L251 VanDerWaalsContact O-N 3.16Å; N248-L251 PolarHBondContact OD1-N 3.31Å; N248-R252 WeakPolarHBondContact O-CG 3.49Å; N248-R252 PolarHBondContact O-N 3.11Å
249K97.9Very high98.2Very high131 Ų13136.2 Ų36.257%0.5718%0.176SC*.Hα-helixtrans-61-36.6-176.8-63.6-175.2178-176.80113.6E247 R252 A253 N410E247-K249 PolarHBondContact O-N 3.16Å; E247-K249 VanDerWaalsContact O-N 3.11Å; K249-R252 PolarHBondContact O-N 2.84Å; K249-A253 PolarHBondContact O-N 3.43Å; K249-N410 WeakPolarHBondContact CB-ND2 3.22Å
250D98.3Very high98Very high16 Ų1635.6 Ų35.69%0.08617%0.173CC..Hα-helixtrans-70-37.9177-90.124.3000111.3L154 R161 Y163 F180 N248 A253 V254 N410L154-D250 HydrophobicContact CD1-CB 4.4Å; R161-D250 WeakPolarHBondContact CD-OD2 3.18Å; R161-D250 IonicContact CZ-OD1 3.96Å; R161-D250 IonicContact CZ-OD2 2.64Å; R161-D250 IonicContact NE-OD1 3.71Å; R161-D250 IonicContact NE-OD2 2.7Å; R161-D250 PolarHBondContact NE-OD2 2.94Å; R161-D250 IonicContact NH2-OD1 3.04Å; R161-D250 PolarHBondContact NH2-OD1 3.27Å; R161-D250 IonicContact NH2-OD2 3.87Å; Y163-D250 HydrophobicContact CE2-CB 4.35Å; Y163-D250 WeakPolarHBondContact CE2-OD2 3.31Å; Y163-D250 PolarHBondContact OH-OD2 3.49Å; F180-D250 HydrophobicContact CE1-CB 3.95Å; F180-D250 HydrophobicContact CZ-CB 4.42Å; N248-D250 VanDerWaalsContact C-N 3.32Å; N248-D250 PolarHBondContact O-N 3.25Å; N248-D250 PolarHBondContact OD1-N 2.9Å; N248-D250 VanDerWaalsContact OD1-N 3.12Å; D250-A253 WeakPolarHBondContact O-CB 3.42Å; D250-A253 PolarHBondContact O-N 2.69Å; D250-V254 WeakPolarHBondContact O-CG2 3.46Å; D250-V254 PolarHBondContact O-N 2.8Å; D250-N410 PolarHBondContact OD1-ND2 3.42Å
251L98.7Very high97.8Very high0 Ų032.4 Ų32.40%016%0.157CC..Hα-helixtrans-66.3-40.4174.2-176.856.3000111.7F180 E183 A186 I187 T246 N248 A253 V254 F255F180-L251 HydrophobicContact CB-CD2 4.49Å; F180-L251 HydrophobicContact CD1-CB 3.95Å; F180-L251 HydrophobicContact CD1-CD1 4.49Å; F180-L251 HydrophobicContact CD2-CD1 3.79Å; F180-L251 HydrophobicContact CE1-CB 3.94Å; F180-L251 HydrophobicContact CE2-CD1 3.94Å; F180-L251 HydrophobicContact CG-CB 4.33Å; F180-L251 HydrophobicContact CG-CD1 4.09Å; F180-L251 HydrophobicContact CZ-CB 4.33Å; F180-L251 HydrophobicContact CZ-CD1 4.36Å; E183-L251 HydrophobicContact CB-CD2 3.47Å; E183-L251 VanDerWaalsContact CB-CD2 3.47Å; E183-L251 HydrophobicContact CG-CD2 3.69Å; A186-L251 HydrophobicContact CB-CD2 4.44Å; I187-L251 HydrophobicContact CD1-CD2 4.49Å; I187-L251 HydrophobicContact CG1-CD1 4.22Å; I187-L251 HydrophobicContact CG1-CD2 4.07Å; T246-L251 HydrophobicContact CG2-CB 4.35Å; T246-L251 HydrophobicContact CG2-CD2 4.05Å; T246-L251 HydrophobicContact CG2-CG 4.21Å; N248-L251 HydrophobicContact CB-CB 3.94Å; N248-L251 PolarHBondContact O-N 3.12Å; N248-L251 VanDerWaalsContact O-N 3.16Å; N248-L251 PolarHBondContact OD1-N 3.31Å; L251-A253 VanDerWaalsContact C-N 3.32Å; L251-A253 PolarHBondContact O-N 2.74Å; L251-V254 CarbonylContact O-C 3.58Å; L251-V254 PolarHBondContact O-N 2.74Å; L251-F255 HydrophobicContact CD1-CD1 4.11Å; L251-F255 HydrophobicContact CD1-CE1 3.56Å; L251-F255 HydrophobicContact CD1-CE2 4.1Å; L251-F255 HydrophobicContact CD1-CZ 3.55Å; L251-F255 HydrophobicContact CD2-CE2 4.09Å; L251-F255 HydrophobicContact CD2-CZ 3.91Å; L251-F255 HydrophobicContact CG-CD2 4.27Å; L251-F255 HydrophobicContact CG-CE1 4.15Å; L251-F255 HydrophobicContact CG-CE2 3.74Å; L251-F255 HydrophobicContact CG-CZ 3.66Å; L251-F255 WeakPolarHBondContact O-CG 3.47Å; L251-F255 PolarHBondContact O-N 3.03Å
252R98.6Very high97.6Very high39 Ų3932.4 Ų32.415%0.14716%0.157CC..Hα-helixtrans-58.8-43.7172.1-67.7174.4178.3175.71.7111.3V242 N243 T246 E247 N248 K249 F255 T256V242-R252 HydrophobicContact CB-CG 4.42Å; V242-R252 HydrophobicContact CG2-CB 4.23Å; V242-R252 HydrophobicContact CG2-CG 4.24Å; N243-R252 PolarHBondContact O-NH2 3.16Å; N243-R252 VanDerWaalsContact OD1-CD 3.23Å; N243-R252 WeakPolarHBondContact OD1-CD 3.46Å; N243-R252 PolarHBondContact OD1-NE 3.22Å; N243-R252 PolarHBondContact OD1-NH1 3.37Å; N243-R252 VanDerWaalsContact OD1-NH1 3.14Å; T246-R252 HydrophobicContact CG2-CG 3.88Å; T246-R252 PolarHBondContact O-NE 3.31Å; T246-R252 PolarHBondContact O-NH2 2.91Å; E247-R252 IonicContact OE1-NH2 3.3Å; E247-R252 PolarHBondContact OE1-NH2 2.93Å; E247-R252 IonicContact OE2-CZ 2.8Å; E247-R252 IonicContact OE2-NH1 2.74Å; E247-R252 IonicContact OE2-NH2 3.32Å; E247-R252 PolarHBondContact OE2-NH2 3.06Å; N248-R252 WeakPolarHBondContact O-CG 3.49Å; N248-R252 PolarHBondContact O-N 3.11Å; K249-R252 PolarHBondContact O-N 2.84Å; R252-F255 PolarHBondContact O-N 3.27Å; R252-T256 VanDerWaalsContact O-CG2 3.3Å; R252-T256 WeakPolarHBondContact O-CG2 2.87Å; R252-T256 PolarHBondContact O-N 2.89Å; R252-T256 VanDerWaalsContact O-N 3.17Å; R252-T256 PolarHBondContact O-OG1 3.37Å
253A98.4Very high97.4Very high1 Ų132.4 Ų32.41%0.00816%0.157CC..Hα-helixtrans-61.2-46.1174.500000111.5L154 K249 D250 L251 F255 T256 Y257 N410 F412L154-A253 HydrophobicContact CD1-CB 3.65Å; L154-A253 HydrophobicContact CD2-CB 4.22Å; K249-A253 PolarHBondContact O-N 3.43Å; D250-A253 WeakPolarHBondContact O-CB 3.42Å; D250-A253 PolarHBondContact O-N 2.69Å; L251-A253 VanDerWaalsContact C-N 3.32Å; L251-A253 PolarHBondContact O-N 2.74Å; A253-F255 VanDerWaalsContact C-N 3.3Å; A253-F255 PolarHBondContact O-N 3.19Å; A253-T256 PolarHBondContact O-N 3.2Å; A253-T256 PolarHBondContact O-OG1 3.3Å; A253-Y257 PolarHBondContact O-N 2.86Å; A253-N410 HydrophobicContact CB-CB 3.88Å; A253-F412 HydrophobicContact CB-CE1 4.15Å; A253-F412 HydrophobicContact CB-CE2 3.96Å; A253-F412 HydrophobicContact CB-CZ 3.62Å; A253-F412 VanDerWaalsContact O-CE2 3.26Å; A253-F412 WeakPolarHBondContact O-CE2 3.36Å
254V98.6Very high97.2Very high0 Ų029.8 Ų29.80%014%0.144CC..Hα-helixtrans-63.8-31.9176.2171.10000112.6V152 Y163 I165 L176 F180 D250 L251 T256 Y257V152-V254 HydrophobicContact CB-CG2 4.46Å; V152-V254 HydrophobicContact CG1-CG2 4.4Å; Y163-V254 HydrophobicContact CD1-CG2 4.41Å; Y163-V254 HydrophobicContact CD2-CG2 3.74Å; Y163-V254 HydrophobicContact CE2-CG2 4.44Å; Y163-V254 HydrophobicContact CG-CG2 3.72Å; I165-V254 HydrophobicContact CD1-CG1 3.99Å; L176-V254 HydrophobicContact CD2-CG1 3.71Å; F180-V254 HydrophobicContact CE2-CG2 4.34Å; F180-V254 HydrophobicContact CZ-CG2 4.04Å; D250-V254 WeakPolarHBondContact O-CG2 3.46Å; D250-V254 PolarHBondContact O-N 2.8Å; L251-V254 CarbonylContact O-C 3.58Å; L251-V254 PolarHBondContact O-N 2.74Å; V254-T256 VanDerWaalsContact C-N 3.28Å; V254-T256 PolarHBondContact O-N 2.66Å; V254-Y257 VanDerWaalsContact O-CD1 3.23Å; V254-Y257 WeakPolarHBondContact O-CD1 3.45Å
255F98.6Very high97.1Very high1 Ų125.3 Ų25.30%0.00412%0.122CC..Hα-helixtrans-71.2-23.8172.9-71.5-21.6000113.4L176 I187 Y190 V242 T246 L251 R252 A253 H274L176-F255 HydrophobicContact CD1-CE1 4.21Å; I187-F255 HydrophobicContact CB-CZ 4.49Å; I187-F255 HydrophobicContact CG1-CE1 4.33Å; I187-F255 HydrophobicContact CG1-CZ 3.96Å; Y190-F255 AromaticContact CD1-CD1 3.55Å; Y190-F255 HydrophobicContact CD1-CD1 3.55Å; Y190-F255 AromaticContact CD1-CE1 3.52Å; Y190-F255 HydrophobicContact CD1-CE1 3.52Å; Y190-F255 HydrophobicContact CD1-CG 4.14Å; Y190-F255 HydrophobicContact CD1-CZ 4.1Å; Y190-F255 HydrophobicContact CD2-CB 4.14Å; Y190-F255 HydrophobicContact CD2-CD1 4.07Å; Y190-F255 AromaticContact CD2-CD2 3.89Å; Y190-F255 HydrophobicContact CD2-CD2 3.89Å; Y190-F255 HydrophobicContact CD2-CE1 4.45Å; Y190-F255 HydrophobicContact CD2-CE2 4.29Å; Y190-F255 AromaticContact CD2-CG 3.78Å; Y190-F255 HydrophobicContact CD2-CG 3.78Å; Y190-F255 AromaticContact CE1-CD1 3.64Å; Y190-F255 HydrophobicContact CE1-CD1 3.64Å; Y190-F255 HydrophobicContact CE1-CE1 4.06Å; Y190-F255 HydrophobicContact CE1-CG 4.22Å; Y190-F255 HydrophobicContact CE2-CB 3.74Å; Y190-F255 HydrophobicContact CE2-CD1 4.13Å; Y190-F255 HydrophobicContact CE2-CD2 4.37Å; Y190-F255 AromaticContact CE2-CG 3.84Å; Y190-F255 HydrophobicContact CE2-CG 3.84Å; Y190-F255 AromaticContact CG-CD1 3.78Å; Y190-F255 HydrophobicContact CG-CD1 3.78Å; Y190-F255 HydrophobicContact CG-CD2 4.03Å; Y190-F255 AromaticContact CG-CE1 3.75Å; Y190-F255 HydrophobicContact CG-CE1 3.75Å; Y190-F255 HydrophobicContact CG-CE2 4.01Å; Y190-F255 AromaticContact CG-CG 3.93Å; Y190-F255 HydrophobicContact CG-CG 3.93Å; Y190-F255 AromaticContact CG-CZ 3.88Å; Y190-F255 HydrophobicContact CG-CZ 3.88Å; Y190-F255 AromaticContact CZ-CD1 3.92Å; Y190-F255 PolarHBondContact OH-O 2.8Å; Y190-F255 VanDerWaalsContact OH-O 3.1Å; V242-F255 HydrophobicContact CB-CD2 4.4Å; V242-F255 HydrophobicContact CG1-CB 3.84Å; V242-F255 HydrophobicContact CG1-CD2 4.15Å; V242-F255 HydrophobicContact CG1-CG 4.49Å; T246-F255 HydrophobicContact CG2-CE2 4.41Å; L251-F255 HydrophobicContact CD1-CD1 4.11Å; L251-F255 HydrophobicContact CD1-CE1 3.56Å; L251-F255 HydrophobicContact CD1-CE2 4.1Å; L251-F255 HydrophobicContact CD1-CZ 3.55Å; L251-F255 HydrophobicContact CD2-CE2 4.09Å; L251-F255 HydrophobicContact CD2-CZ 3.91Å; L251-F255 HydrophobicContact CG-CD2 4.27Å; L251-F255 HydrophobicContact CG-CE1 4.15Å; L251-F255 HydrophobicContact CG-CE2 3.74Å; L251-F255 HydrophobicContact CG-CZ 3.66Å; L251-F255 WeakPolarHBondContact O-CG 3.47Å; L251-F255 PolarHBondContact O-N 3.03Å; R252-F255 PolarHBondContact O-N 3.27Å; A253-F255 VanDerWaalsContact C-N 3.3Å; A253-F255 PolarHBondContact O-N 3.19Å; F255-H274 PolarHBondContact O-CE1 3.25Å; F255-H274 PolarHBondContact O-NE2 3.4Å
256T98.3Very high97Very high6 Ų623.9 Ų23.94%0.03712%0.115CC..Hα-helixtrans-112.2-6.9-169.559.90000114.6L238 V242 R252 A253 V254 I258 F259 P266 F412L238-T256 HydrophobicContact CD1-CG2 3.96Å; L238-T256 HydrophobicContact CD2-CG2 3.57Å; L238-T256 HydrophobicContact CG-CG2 3.5Å; V242-T256 HydrophobicContact CB-CG2 4.45Å; V242-T256 HydrophobicContact CG1-CG2 3.85Å; V242-T256 HydrophobicContact CG2-CG2 3.91Å; R252-T256 VanDerWaalsContact O-CG2 3.3Å; R252-T256 WeakPolarHBondContact O-CG2 2.87Å; R252-T256 PolarHBondContact O-N 2.89Å; R252-T256 VanDerWaalsContact O-N 3.17Å; R252-T256 PolarHBondContact O-OG1 3.37Å; A253-T256 PolarHBondContact O-N 3.2Å; A253-T256 PolarHBondContact O-OG1 3.3Å; V254-T256 VanDerWaalsContact C-N 3.28Å; V254-T256 PolarHBondContact O-N 2.66Å; T256-I258 VanDerWaalsContact C-N 3.25Å; T256-I258 PolarHBondContact O-N 2.93Å; T256-F259 WeakPolarHBondContact O-CD1 3.43Å; T256-F259 PolarHBondContact O-N 3.14Å; T256-F259 VanDerWaalsContact O-N 3.16Å; T256-P266 HydrophobicContact CG2-CB 4.31Å; T256-P266 HydrophobicContact CG2-CG 4.4Å; T256-F412 VanDerWaalsContact OG1-CD2 3.27Å; T256-F412 WeakPolarHBondContact OG1-CD2 3.31Å; T256-F412 WeakPolarHBondContact OG1-CE2 3.49Å
257Y97.9Very high97Very high11 Ų1128.7 Ų28.74%0.04314%0.135CC..G310 helixtrans-51.7-33.8-169.485.9-85.2000115.8D150 V152 I165 A253 V254 F259 W405D150-Y257 HydrophobicContact CB-CE2 3.99Å; D150-Y257 WeakPolarHBondContact OD2-CE2 3.15Å; D150-Y257 PolarHBondContact OD2-OH 3.2Å; V152-Y257 HydrophobicContact CG1-CG 4.48Å; V152-Y257 HydrophobicContact CG2-CD1 3.63Å; V152-Y257 HydrophobicContact CG2-CD2 3.53Å; V152-Y257 HydrophobicContact CG2-CE1 4.07Å; V152-Y257 HydrophobicContact CG2-CE2 3.98Å; V152-Y257 HydrophobicContact CG2-CG 3.32Å; I165-Y257 HydrophobicContact CD1-CE1 4.1Å; I165-Y257 HydrophobicContact CG1-CE1 3.93Å; I165-Y257 HydrophobicContact CG2-CE1 4.46Å; A253-Y257 PolarHBondContact O-N 2.86Å; V254-Y257 VanDerWaalsContact O-CD1 3.23Å; V254-Y257 WeakPolarHBondContact O-CD1 3.45Å; Y257-F259 PolarHBondContact O-N 3.12Å; Y257-F259 VanDerWaalsContact O-N 3.07Å; Y257-W405 HydrophobicContact CD2-CB 3.87Å; Y257-W405 AromaticContact CD2-CD1 3.58Å; Y257-W405 AromaticContact CD2-CD2 3.94Å; Y257-W405 HydrophobicContact CD2-CD2 3.94Å; Y257-W405 AromaticContact CD2-CG 3.51Å; Y257-W405 HydrophobicContact CD2-CG 3.51Å; Y257-W405 AromaticContact CD2-NE1 3.98Å; Y257-W405 HydrophobicContact CE2-CB 4.5Å; Y257-W405 AromaticContact CE2-CD1 3.37Å; Y257-W405 HydrophobicContact CE2-CD2 4.3Å; Y257-W405 AromaticContact CE2-CG 3.83Å; Y257-W405 HydrophobicContact CE2-CG 3.83Å; Y257-W405 AromaticContact CE2-NE1 3.56Å
258I96.3Very high96.9Very high4 Ų424.1 Ų24.12%0.02112%0.115CC..G310 helixtrans-73.71.8-174.669.1-177.6000114T256 G260 T261 Y262 L277 T278T256-I258 VanDerWaalsContact C-N 3.25Å; T256-I258 PolarHBondContact O-N 2.93Å; I258-G260 PolarHBondContact O-N 3.19Å; I258-T261 PolarHBondContact O-N 2.87Å; I258-T261 PolarHBondContact O-OG1 3.2Å; I258-Y262 HydrophobicContact CG1-CE1 4.46Å; I258-L277 HydrophobicContact CB-CD2 4.01Å; I258-L277 HydrophobicContact CD1-CB 4.05Å; I258-L277 HydrophobicContact CD1-CD2 3.28Å; I258-L277 HydrophobicContact CD1-CG 3.71Å; I258-L277 HydrophobicContact CG1-CD2 3.55Å; I258-L277 HydrophobicContact CG1-CG 4.49Å; I258-T278 VanDerWaalsContact CD1-OG1 3.3Å; I258-T278 WeakPolarHBondContact CD1-OG1 3.37Å
259F96.2Very high96.8Very high2 Ų221.6 Ų21.61%0.00910%0.102CC..G310 helixtrans-57.1-25.8-173.579.9-97.7000113.9T256 Y257 T261 Y262 G263 N264 P266 F407 F412 M416 L433 F461T256-F259 WeakPolarHBondContact O-CD1 3.43Å; T256-F259 PolarHBondContact O-N 3.14Å; T256-F259 VanDerWaalsContact O-N 3.16Å; Y257-F259 PolarHBondContact O-N 3.12Å; Y257-F259 VanDerWaalsContact O-N 3.07Å; F259-T261 PolarHBondContact O-N 3Å; F259-T261 VanDerWaalsContact O-N 3.12Å; F259-Y262 WeakPolarHBondContact CA-OH 3.4Å; F259-Y262 HydrophobicContact CB-CE2 3.78Å; F259-Y262 WeakPolarHBondContact CB-OH 3.4Å; F259-Y262 WeakPolarHBondContact O-CD2 3.37Å; F259-Y262 PolarHBondContact O-N 2.85Å; F259-Y262 VanDerWaalsContact O-N 3.17Å; F259-G263 PolarHBondContact O-N 3.08Å; F259-G263 VanDerWaalsContact O-N 3.09Å; F259-N264 WeakPolarHBondContact CB-O 3.43Å; F259-N264 VanDerWaalsContact CD2-O 3.24Å; F259-N264 WeakPolarHBondContact CD2-O 3.44Å; F259-P266 HydrophobicContact CD1-CG 4.07Å; F259-P266 HydrophobicContact CG-CG 4.36Å; F259-F407 AromaticContact CE1-CE1 3.61Å; F259-F407 HydrophobicContact CE1-CE1 3.61Å; F259-F407 HydrophobicContact CE1-CZ 4.16Å; F259-F407 HydrophobicContact CZ-CE1 4.07Å; F259-F412 AromaticContact CD1-CD2 3.91Å; F259-F412 HydrophobicContact CD1-CD2 3.91Å; F259-F412 HydrophobicContact CD1-CE2 4.49Å; F259-F412 HydrophobicContact CD1-CG 4.47Å; F259-F412 HydrophobicContact CE1-CB 3.85Å; F259-F412 AromaticContact CE1-CD2 3.62Å; F259-F412 HydrophobicContact CE1-CD2 3.62Å; F259-F412 HydrophobicContact CE1-CE2 4.28Å; F259-F412 AromaticContact CE1-CG 3.77Å; F259-F412 HydrophobicContact CE1-CG 3.77Å; F259-F412 HydrophobicContact CZ-CB 4.38Å; F259-M416 HydrophobicContact CE2-CG 4.02Å; F259-M416 HydrophobicContact CE2-SD 4.36Å; F259-M416 HydrophobicContact CZ-CG 3.81Å; F259-M416 HydrophobicContact CZ-SD 4.17Å; F259-L433 HydrophobicContact CE2-CD2 4.23Å; F259-L433 HydrophobicContact CZ-CD2 3.89Å; F259-F461 HydrophobicContact CD2-CE2 4.47Å; F259-F461 AromaticContact CE2-CE2 3.9Å; F259-F461 HydrophobicContact CE2-CE2 3.9Å
260G94.3Very high96.8Very high6 Ų615.3 Ų15.36%0.0627%0.074CC..G310 helixtrans-57.7-24.6175.300000114.2I258 Y262 Y532I258-G260 PolarHBondContact O-N 3.19Å; G260-Y262 VanDerWaalsContact C-N 3.35Å; G260-Y262 PolarHBondContact O-N 3.48Å; G260-Y532 WeakPolarHBondContact O-CE2 3.48Å; G260-Y532 PolarHBondContact O-OH 2.76Å
261T94.4Very high96.8Very high16 Ų1614.6 Ų14.610%0.0987%0.07CC..G310 helixtrans-82.7-4.7-178.961.80000115.1I258 F259 L277 W405 Y532I258-T261 PolarHBondContact O-N 2.87Å; I258-T261 PolarHBondContact O-OG1 3.2Å; F259-T261 PolarHBondContact O-N 3Å; F259-T261 VanDerWaalsContact O-N 3.12Å; T261-L277 WeakPolarHBondContact OG1-CD2 3.4Å; T261-W405 HydrophobicContact CG2-CH2 3.47Å; T261-W405 VanDerWaalsContact CG2-CH2 3.47Å; T261-W405 HydrophobicContact CG2-CZ2 3.43Å; T261-W405 VanDerWaalsContact CG2-CZ2 3.43Å; T261-Y532 VanDerWaalsContact C-CE2 3.44Å; T261-Y532 VanDerWaalsContact CA-OH 3.31Å; T261-Y532 WeakPolarHBondContact CA-OH 3.26Å; T261-Y532 WeakPolarHBondContact O-CE1 3.47Å; T261-Y532 WeakPolarHBondContact O-CE2 3.19Å; T261-Y532 PolarHBondContact O-OH 2.81Å
262Y93.8Very high96.7Very high1 Ų114.6 Ų14.60%0.0047%0.07CC..THydrogen-bonded Turntrans-129.40.6170.551.7-110000113.7L238 I258 F259 G260 N264 A269 M273 H274 L277L238-Y262 WeakPolarHBondContact CD2-OH 3.46Å; I258-Y262 HydrophobicContact CG1-CE1 4.46Å; F259-Y262 WeakPolarHBondContact CA-OH 3.4Å; F259-Y262 HydrophobicContact CB-CE2 3.78Å; F259-Y262 WeakPolarHBondContact CB-OH 3.4Å; F259-Y262 WeakPolarHBondContact O-CD2 3.37Å; F259-Y262 PolarHBondContact O-N 2.85Å; F259-Y262 VanDerWaalsContact O-N 3.17Å; G260-Y262 VanDerWaalsContact C-N 3.35Å; G260-Y262 PolarHBondContact O-N 3.48Å; Y262-N264 HydrophobicContact CD2-CB 4.21Å; Y262-N264 HydrophobicContact CE2-CB 4.35Å; Y262-N264 WeakPolarHBondContact CE2-O 3.47Å; Y262-N264 PolarHBondContact O-OD1 2.93Å; Y262-A269 HydrophobicContact CD2-CB 4.48Å; Y262-A269 HydrophobicContact CE2-CB 3.56Å; Y262-M273 HydrophobicContact CD1-CE 4.11Å; Y262-M273 HydrophobicContact CD1-CG 4.19Å; Y262-M273 HydrophobicContact CG-CE 4.38Å; Y262-M273 HydrophobicContact CG-CG 4.11Å; Y262-H274 HydrophobicContact CE1-CB 4.36Å; Y262-H274 PolarHBondContact OH-ND1 3.12Å; Y262-L277 HydrophobicContact CD1-CD2 3.58Å; Y262-L277 HydrophobicContact CE1-CD2 3.76Å
263G93.1Very high96.6Very high4 Ų413 Ų134%0.0417%0.065CC..THydrogen-bonded Turntrans85.311.516400000116.6F259 E381F259-G263 PolarHBondContact O-N 3.08Å; F259-G263 VanDerWaalsContact O-N 3.09Å; G263-E381 WeakPolarHBondContact O-CG 3.46Å
264N94.8Very high96.6Very high6 Ų613 Ų133%0.0327%0.065CC..  trans-127.1130.8-178.8-70.9104000111.4F259 Y262 D268 A269 D535 H536 G537F259-N264 WeakPolarHBondContact CB-O 3.43Å; F259-N264 VanDerWaalsContact CD2-O 3.24Å; F259-N264 WeakPolarHBondContact CD2-O 3.44Å; Y262-N264 HydrophobicContact CD2-CB 4.21Å; Y262-N264 HydrophobicContact CE2-CB 4.35Å; Y262-N264 WeakPolarHBondContact CE2-O 3.47Å; Y262-N264 PolarHBondContact O-OD1 2.93Å; N264-D268 HydrophobicContact CB-CB 4.49Å; N264-A269 HydrophobicContact CB-CB 4.06Å; N264-D535 PolarHBondContact ND2-OD1 3.27Å; N264-D535 PolarHBondContact OD1-OD1 3.32Å; N264-H536 WeakPolarHBondContact OD1-CA 3.29Å; N264-H536 PolarHBondContact OD1-N 3.19Å; N264-H536 VanDerWaalsContact OD1-N 3.14Å; N264-H536 PolarHBondContact OD1-O 3.34Å; N264-G537 PolarHBondContact OD1-N 3.45Å; N264-G537 VanDerWaalsContact OD1-N 3.14Å
265K95.9Very high96.5Very high39 Ų3913 Ų1317%0.177%0.065CC..  trans-58.8151.7171.466.9178.6-173.2-760111K267 D268 A269 M416K265-K267 VanDerWaalsContact C-N 3.28Å; K265-K267 PolarHBondContact O-N 3.43Å; K265-K267 VanDerWaalsContact O-N 3.1Å; K265-D268 WeakPolarHBondContact CE-OD2 3.27Å; K265-D268 HydrophobicContact CG-CB 4.3Å; K265-D268 IonicContact NZ-OD1 3.62Å; K265-D268 IonicContact NZ-OD2 3.78Å; K265-D268 PolarHBondContact NZ-OD2 2.9Å; K265-D268 PolarHBondContact O-N 2.95Å; K265-A269 PolarHBondContact O-N 3.16Å; K265-M416 HydrophobicContact CB-CB 4Å; K265-M416 HydrophobicContact CB-CG 4.23Å; K265-M416 HydrophobicContact CD-CB 4.13Å
266P97.8Very high96.4Very high3 Ų314 Ų142%0.0197%0.07CC..THydrogen-bonded Turntrans-50.5-38.4-171.6-32.639.8000116L238 T239 T256 F259 D268 A269 F412 D413L238-P266 HydrophobicContact CB-CB 4.36Å; L238-P266 WeakPolarHBondContact CB-O 3.45Å; L238-P266 HydrophobicContact CD2-CB 4.12Å; L238-P266 HydrophobicContact CD2-CG 4.48Å; L238-P266 HydrophobicContact CG-CB 4.28Å; L238-P266 PolarHBondContact N-O 3.06Å; T239-P266 PolarHBondContact N-O 2.94Å; T239-P266 VanDerWaalsContact OG1-CB 3.22Å; T239-P266 WeakPolarHBondContact OG1-CB 3.22Å; T256-P266 HydrophobicContact CG2-CB 4.31Å; T256-P266 HydrophobicContact CG2-CG 4.4Å; F259-P266 HydrophobicContact CD1-CG 4.07Å; F259-P266 HydrophobicContact CG-CG 4.36Å; P266-D268 VanDerWaalsContact C-N 3.28Å; P266-D268 PolarHBondContact O-N 3.11Å; P266-A269 PolarHBondContact O-N 3.48Å; P266-F412 HydrophobicContact CG-CB 4Å; P266-F412 HydrophobicContact CG-CD2 4.23Å; P266-D413 WeakPolarHBondContact CD-OD1 3.17Å
267K97.8Very high96.3Very high112 Ų11214.5 Ų14.549%0.4877%0.072SC..THydrogen-bonded Turntrans-65.7-28.3178.2-178.1175.1179.2-177.50113.9S237 T239 K265 D413S237-K267 WeakPolarHBondContact CB-O 3.37Å; T239-K267 WeakPolarHBondContact OG1-CA 3.17Å; T239-K267 PolarHBondContact OG1-N 2.94Å; K265-K267 VanDerWaalsContact C-N 3.28Å; K265-K267 PolarHBondContact O-N 3.43Å; K265-K267 VanDerWaalsContact O-N 3.1Å; K267-D413 HydrophobicContact CB-CB 4.38Å; K267-D413 VanDerWaalsContact CB-CG 3.46Å; K267-D413 VanDerWaalsContact CB-OD1 3.26Å; K267-D413 WeakPolarHBondContact CB-OD1 3.32Å; K267-D413 WeakPolarHBondContact CB-OD2 3.39Å; K267-D413 PolarHBondContact N-OD1 3.39Å
268D96.8Very high96.2Very high55 Ų5514.5 Ų14.529%0.2947%0.073SC..THydrogen-bonded Turntrans-97-14.7-180-61.2-16.2000112.4N264 K265 P266 G537 I538N264-D268 HydrophobicContact CB-CB 4.49Å; K265-D268 WeakPolarHBondContact CE-OD2 3.27Å; K265-D268 HydrophobicContact CG-CB 4.3Å; K265-D268 IonicContact NZ-OD1 3.62Å; K265-D268 IonicContact NZ-OD2 3.78Å; K265-D268 PolarHBondContact NZ-OD2 2.9Å; K265-D268 PolarHBondContact O-N 2.95Å; P266-D268 VanDerWaalsContact C-N 3.28Å; P266-D268 PolarHBondContact O-N 3.11Å; D268-G537 CarbonylContact O-C 3.52Å; D268-G537 WeakPolarHBondContact O-CA 3.47Å; D268-I538 WeakPolarHBondContact O-CG1 3.22Å; D268-I538 PolarHBondContact O-N 3.01Å
269A97.3Very high96.1Very high0 Ų016.4 Ų16.40%09%0.085CC..BIsolated β-bridgetrans-82.5132.7-176.700000111.4S237 L238 Y262 N264 K265 P266 F271S237-A269 CarbonylContact C-O 3.53Å; S237-A269 WeakPolarHBondContact CA-O 3.4Å; L238-A269 HydrophobicContact CB-CB 4.36Å; L238-A269 PolarHBondContact N-O 2.89Å; Y262-A269 HydrophobicContact CD2-CB 4.48Å; Y262-A269 HydrophobicContact CE2-CB 3.56Å; N264-A269 HydrophobicContact CB-CB 4.06Å; K265-A269 PolarHBondContact O-N 3.16Å; P266-A269 PolarHBondContact O-N 3.48Å; A269-F271 PolarHBondContact O-N 3.28Å
270S97.6Very high96Very high0 Ų017.9 Ų17.90%09%0.092CC..BIsolated β-bridgetrans-65.3131.9169.6-1780000110.7A234 A272 M273 H274A234-S270 WeakPolarHBondContact CA-OG 3.26Å; A234-S270 PolarHBondContact O-OG 2.98Å; S270-A272 PolarHBondContact O-N 3.48Å; S270-A272 VanDerWaalsContact O-N 3.16Å; S270-A272 WeakPolarHBondContact OG-CB 3.22Å; S270-A272 PolarHBondContact OG-N 3.42Å; S270-M273 WeakPolarHBondContact O-CB 3.37Å; S270-M273 PolarHBondContact O-N 2.95Å; S270-M273 VanDerWaalsContact O-N 3.07Å; S270-H274 PolarHBondContact O-N 2.81Å; S270-H274 VanDerWaalsContact O-N 3.07Å
271F97.9Very high96.1Very high0 Ų018.6 Ų18.60%09%0.093CC..Hα-helixtrans-58.4-28.8170.6-176.8-105.6000112.1Y190 L193 V194 T197 M233 R236 L238 V241 A269 S275Y190-F271 HydrophobicContact CE2-CE2 4.43Å; L193-F271 HydrophobicContact CB-CE1 3.89Å; L193-F271 HydrophobicContact CB-CZ 3.74Å; V194-F271 HydrophobicContact CG2-CE2 4.31Å; V194-F271 HydrophobicContact CG2-CZ 3.98Å; T197-F271 HydrophobicContact CG2-CD1 4.34Å; M233-F271 HydrophobicContact CB-CD1 4.11Å; M233-F271 HydrophobicContact CE-CD1 3.6Å; M233-F271 HydrophobicContact CE-CE1 3.88Å; M233-F271 HydrophobicContact CE-CG 4.43Å; M233-F271 HydrophobicContact CG-CD1 4.48Å; R236-F271 PolarHBondContact O-N 3.44Å; L238-F271 HydrophobicContact CD1-CD2 3.72Å; L238-F271 HydrophobicContact CD1-CE2 4.18Å; V241-F271 HydrophobicContact CB-CD2 3.81Å; V241-F271 HydrophobicContact CB-CE2 4.19Å; V241-F271 HydrophobicContact CB-CG 4.15Å; V241-F271 HydrophobicContact CG1-CD1 4.43Å; V241-F271 HydrophobicContact CG1-CD2 3.74Å; V241-F271 HydrophobicContact CG1-CE1 4.31Å; V241-F271 HydrophobicContact CG1-CE2 3.61Å; V241-F271 HydrophobicContact CG1-CG 4.17Å; V241-F271 HydrophobicContact CG1-CZ 3.9Å; V241-F271 HydrophobicContact CG2-CB 3.87Å; V241-F271 HydrophobicContact CG2-CD1 4.26Å; V241-F271 HydrophobicContact CG2-CD2 3.96Å; V241-F271 HydrophobicContact CG2-CG 3.76Å; A269-F271 PolarHBondContact O-N 3.28Å; F271-S275 VanDerWaalsContact CE1-OG 3.27Å; F271-S275 WeakPolarHBondContact CE1-OG 3.38Å; F271-S275 VanDerWaalsContact O-CB 3.28Å; F271-S275 WeakPolarHBondContact O-CB 3.43Å; F271-S275 PolarHBondContact O-N 3.31Å; F271-S275 PolarHBondContact O-OG 2.84Å
272A97Very high96Very high0 Ų018.6 Ų18.60%09%0.092CC..Hα-helixtrans-65.6-44.2175.400000112.1T197 F230 A234 S270 S275 L276T197-A272 HydrophobicContact CG2-CB 4Å; F230-A272 HydrophobicContact CD2-CB 3.84Å; F230-A272 HydrophobicContact CE1-CB 4.4Å; F230-A272 HydrophobicContact CE2-CB 3.63Å; F230-A272 HydrophobicContact CG-CB 4.31Å; F230-A272 HydrophobicContact CZ-CB 3.95Å; A234-A272 HydrophobicContact CB-CB 3.99Å; S270-A272 PolarHBondContact O-N 3.48Å; S270-A272 VanDerWaalsContact O-N 3.16Å; S270-A272 WeakPolarHBondContact OG-CB 3.22Å; S270-A272 PolarHBondContact OG-N 3.42Å; A272-S275 PolarHBondContact O-N 3.38Å; A272-L276 WeakPolarHBondContact O-CG 3.49Å; A272-L276 PolarHBondContact O-N 2.82Å
273M96.3Very high95.9Very high6 Ų620.4 Ų20.43%0.0311%0.105CC..Hα-helixtrans-61.6-48.8174.5-17751.8-138.300111.5Y262 S270 S275 L276 L277 H536 F541 L567 C568Y262-M273 HydrophobicContact CD1-CE 4.11Å; Y262-M273 HydrophobicContact CD1-CG 4.19Å; Y262-M273 HydrophobicContact CG-CE 4.38Å; Y262-M273 HydrophobicContact CG-CG 4.11Å; S270-M273 WeakPolarHBondContact O-CB 3.37Å; S270-M273 PolarHBondContact O-N 2.95Å; S270-M273 VanDerWaalsContact O-N 3.07Å; M273-S275 VanDerWaalsContact C-N 3.29Å; M273-S275 PolarHBondContact O-N 2.76Å; M273-L276 WeakPolarHBondContact O-CB 3.49Å; M273-L276 PolarHBondContact O-N 3.32Å; M273-L276 HydrophobicContact SD-CD1 4.35Å; M273-L277 HydrophobicContact CE-CB 4.4Å; M273-L277 PolarHBondContact O-N 3.35Å; M273-H536 HydrophobicContact CG-CB 4.49Å; M273-F541 HydrophobicContact CB-CD2 4.17Å; M273-F541 HydrophobicContact CB-CE1 3.92Å; M273-F541 HydrophobicContact CB-CE2 3.59Å; M273-F541 HydrophobicContact CB-CZ 3.46Å; M273-F541 VanDerWaalsContact CB-CZ 3.46Å; M273-F541 HydrophobicContact CG-CE1 4.33Å; M273-F541 HydrophobicContact CG-CE2 3.92Å; M273-F541 HydrophobicContact CG-CZ 3.57Å; M273-F541 HydrophobicContact SD-CE1 3.86Å; M273-F541 HydrophobicContact SD-CE2 4.28Å; M273-F541 HydrophobicContact SD-CZ 3.36Å; M273-F541 WeakPolarHBondContact SD-CZ 2.91Å; M273-L567 HydrophobicContact SD-CD2 3.96Å; M273-C568 WeakPolarHBondContact CE-SG 3.29Å
274H97.9Very high95.9Very high1 Ų120.2 Ų20.21%0.00510%0.103CC..Hα-helixtrans-56.4-45.1177.5178.981.5000111.6Y190 L238 F255 Y262 S270 L276 L277 T278Y190-H274 AromaticContact CZ-NE2 3.82Å; Y190-H274 PolarHBondContact OH-NE2 3.08Å; L238-H274 HydrophobicContact CD1-CB 4.07Å; L238-H274 VanDerWaalsContact CD1-CD2 3.49Å; L238-H274 WeakPolarHBondContact CD1-CD2 3.28Å; L238-H274 HydrophobicContact CD2-CB 4.07Å; L238-H274 VanDerWaalsContact CD2-ND1 3.35Å; L238-H274 WeakPolarHBondContact CD2-ND1 2.96Å; F255-H274 PolarHBondContact O-CE1 3.25Å; F255-H274 PolarHBondContact O-NE2 3.4Å; Y262-H274 HydrophobicContact CE1-CB 4.36Å; Y262-H274 PolarHBondContact OH-ND1 3.12Å; S270-H274 PolarHBondContact O-N 2.81Å; S270-H274 VanDerWaalsContact O-N 3.07Å; H274-L276 VanDerWaalsContact C-N 3.32Å; H274-L276 PolarHBondContact O-N 3.39Å; H274-L277 PolarHBondContact O-N 2.9Å; H274-L277 VanDerWaalsContact O-N 3.17Å; H274-T278 PolarHBondContact NE2-OG1 3.45Å; H274-T278 VanDerWaalsContact NE2-OG1 3.16Å; H274-T278 PolarHBondContact O-N 3.44Å; H274-T278 PolarHBondContact O-OG1 3.41Å; H274-T278 VanDerWaalsContact O-OG1 3.13Å
275S97.5Very high96Very high0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-61-36.8179.8-66.10000113.7T197 F271 A272 M273 L277 T279T197-S275 WeakPolarHBondContact CB-OG 3.29Å; F271-S275 VanDerWaalsContact CE1-OG 3.27Å; F271-S275 WeakPolarHBondContact CE1-OG 3.38Å; F271-S275 VanDerWaalsContact O-CB 3.28Å; F271-S275 WeakPolarHBondContact O-CB 3.43Å; F271-S275 PolarHBondContact O-N 3.31Å; F271-S275 PolarHBondContact O-OG 2.84Å; A272-S275 PolarHBondContact O-N 3.38Å; M273-S275 VanDerWaalsContact C-N 3.29Å; M273-S275 PolarHBondContact O-N 2.76Å; S275-L277 VanDerWaalsContact C-N 3.34Å; S275-T279 VanDerWaalsContact O-CB 3.28Å; S275-T279 WeakPolarHBondContact O-CB 3.35Å; S275-T279 PolarHBondContact O-N 3.43Å; S275-T279 PolarHBondContact O-OG1 3.24Å
276L95.8Very high96Very high21 Ų2118.8 Ų18.811%0.1110%0.096CC..Hα-helixtrans-61.7-46.8176-66.6173.6000111G198 I201 F230 A272 M273 H274 T279 H280 L567G198-L276 WeakPolarHBondContact O-CD2 3.37Å; I201-L276 HydrophobicContact CB-CD2 3.61Å; I201-L276 HydrophobicContact CD1-CD1 3.81Å; I201-L276 HydrophobicContact CD1-CD2 4.02Å; I201-L276 HydrophobicContact CG1-CD2 4.11Å; F230-L276 HydrophobicContact CD2-CD2 4.41Å; F230-L276 HydrophobicContact CE2-CD1 3.68Å; F230-L276 HydrophobicContact CE2-CD2 3.93Å; F230-L276 HydrophobicContact CE2-CG 3.8Å; F230-L276 HydrophobicContact CZ-CD1 4.07Å; A272-L276 WeakPolarHBondContact O-CG 3.49Å; A272-L276 PolarHBondContact O-N 2.82Å; M273-L276 WeakPolarHBondContact O-CB 3.49Å; M273-L276 PolarHBondContact O-N 3.32Å; M273-L276 HydrophobicContact SD-CD1 4.35Å; H274-L276 VanDerWaalsContact C-N 3.32Å; H274-L276 PolarHBondContact O-N 3.39Å; L276-T279 PolarHBondContact O-N 2.79Å; L276-H280 WeakPolarHBondContact O-CB 3.34Å; L276-H280 PolarHBondContact O-N 3.32Å; L276-L567 HydrophobicContact CD1-CD1 3.59Å
277L95.3Very high96Very high18 Ų1818.9 Ų18.99%0.09410%0.096CC..Hα-helixtrans-72.6-43.2-175.8-173.279.5000112.2I258 T261 Y262 M273 H274 S275 T279 H280 Y281I258-L277 HydrophobicContact CB-CD2 4.01Å; I258-L277 HydrophobicContact CD1-CB 4.05Å; I258-L277 HydrophobicContact CD1-CD2 3.28Å; I258-L277 HydrophobicContact CD1-CG 3.71Å; I258-L277 HydrophobicContact CG1-CD2 3.55Å; I258-L277 HydrophobicContact CG1-CG 4.49Å; T261-L277 WeakPolarHBondContact OG1-CD2 3.4Å; Y262-L277 HydrophobicContact CD1-CD2 3.58Å; Y262-L277 HydrophobicContact CE1-CD2 3.76Å; M273-L277 HydrophobicContact CE-CB 4.4Å; M273-L277 PolarHBondContact O-N 3.35Å; H274-L277 PolarHBondContact O-N 2.9Å; H274-L277 VanDerWaalsContact O-N 3.17Å; S275-L277 VanDerWaalsContact C-N 3.34Å; L277-T279 VanDerWaalsContact C-N 3.25Å; L277-T279 PolarHBondContact O-N 2.94Å; L277-H280 VanDerWaalsContact O-CB 3.26Å; L277-H280 WeakPolarHBondContact O-CB 3.36Å; L277-H280 PolarHBondContact O-N 2.83Å; L277-H280 VanDerWaalsContact O-N 3.09Å; L277-Y281 HydrophobicContact CD1-CD2 4.33Å; L277-Y281 HydrophobicContact CD1-CE2 3.69Å; L277-Y281 HydrophobicContact CG-CD2 4.17Å; L277-Y281 HydrophobicContact CG-CE2 3.96Å; L277-Y281 WeakPolarHBondContact O-CD2 3.36Å; L277-Y281 PolarHBondContact O-N 2.81Å
278T96.2Very high95.9Very high11 Ų1113.5 Ų13.57%0.0677%0.073CC..Hα-helixtrans-58.3-44.3173.7-550000109.6V194 I258 H274 H280 Y281 L282V194-T278 HydrophobicContact CG1-CG2 3.78Å; I258-T278 VanDerWaalsContact CD1-OG1 3.3Å; I258-T278 WeakPolarHBondContact CD1-OG1 3.37Å; H274-T278 PolarHBondContact NE2-OG1 3.45Å; H274-T278 VanDerWaalsContact NE2-OG1 3.16Å; H274-T278 PolarHBondContact O-N 3.44Å; H274-T278 PolarHBondContact O-OG1 3.41Å; H274-T278 VanDerWaalsContact O-OG1 3.13Å; T278-H280 VanDerWaalsContact C-N 3.31Å; T278-H280 PolarHBondContact O-N 3.37Å; T278-Y281 PolarHBondContact O-N 3.26Å; T278-L282 WeakPolarHBondContact O-CG 3.46Å; T278-L282 PolarHBondContact O-N 2.85Å
279T94.6Very high95.8Very high43 Ų4313.7 Ų13.726%0.2647%0.071SC..Hα-helixtrans-61.2-37.8176.2-570000112.7S275 L276 L277 Y281 L282S275-T279 VanDerWaalsContact O-CB 3.28Å; S275-T279 WeakPolarHBondContact O-CB 3.35Å; S275-T279 PolarHBondContact O-N 3.43Å; S275-T279 PolarHBondContact O-OG1 3.24Å; L276-T279 PolarHBondContact O-N 2.79Å; L277-T279 VanDerWaalsContact C-N 3.25Å; L277-T279 PolarHBondContact O-N 2.94Å; T279-Y281 VanDerWaalsContact C-N 3.29Å; T279-Y281 PolarHBondContact O-N 2.9Å; T279-L282 PolarHBondContact O-N 3.18Å
280H94.4Very high95.6Very high33 Ų3313.7 Ų13.715%0.1537%0.071CC..Hα-helixtrans-57.8-41.1176.6-175.864000111.7G120 D121 L276 L277 T278G120-H280 CarbonylContact C-O 3.4Å; G120-H280 WeakPolarHBondContact CA-NE2 3.36Å; G120-H280 VanDerWaalsContact CA-O 3.29Å; G120-H280 WeakPolarHBondContact CA-O 3.44Å; G120-H280 PolarHBondContact N-CD2 3.31Å; G120-H280 PolarHBondContact N-CE1 3.03Å; G120-H280 PolarHBondContact N-NE2 2.9Å; G120-H280 PolarHBondContact O-CE1 3.06Å; D121-H280 PolarHBondContact N-O 3.31Å; L276-H280 WeakPolarHBondContact O-CB 3.34Å; L276-H280 PolarHBondContact O-N 3.32Å; L277-H280 VanDerWaalsContact O-CB 3.26Å; L277-H280 WeakPolarHBondContact O-CB 3.36Å; L277-H280 PolarHBondContact O-N 2.83Å; L277-H280 VanDerWaalsContact O-N 3.09Å; T278-H280 VanDerWaalsContact C-N 3.31Å; T278-H280 PolarHBondContact O-N 3.37Å
281Y95.4Very high95.4Very high21 Ų2113.8 Ų13.88%0.0827%0.072CC..Hα-helixtrans-92.4-10.4-178.7-65.3-61.5000115.4Y118 F149 L277 T278 T279 S283 G284 A285Y118-Y281 AromaticContact CD2-CD1 3.9Å; Y118-Y281 HydrophobicContact CD2-CD1 3.9Å; Y118-Y281 AromaticContact CD2-CE1 3.21Å; Y118-Y281 HydrophobicContact CD2-CE1 3.21Å; Y118-Y281 AromaticContact CD2-CZ 3.61Å; Y118-Y281 AromaticContact CE2-CD1 3.88Å; Y118-Y281 HydrophobicContact CE2-CD1 3.88Å; Y118-Y281 HydrophobicContact CE2-CD2 4.42Å; Y118-Y281 AromaticContact CE2-CE1 3.35Å; Y118-Y281 HydrophobicContact CE2-CE1 3.35Å; Y118-Y281 AromaticContact CE2-CE2 3.93Å; Y118-Y281 HydrophobicContact CE2-CE2 3.93Å; Y118-Y281 HydrophobicContact CE2-CG 4.39Å; Y118-Y281 AromaticContact CE2-CZ 3.36Å; Y118-Y281 HydrophobicContact CG-CE1 4.34Å; Y118-Y281 PolarHBondContact O-OH 3.43Å; F149-Y281 HydrophobicContact CE2-CG 4.47Å; L277-Y281 HydrophobicContact CD1-CD2 4.33Å; L277-Y281 HydrophobicContact CD1-CE2 3.69Å; L277-Y281 HydrophobicContact CG-CD2 4.17Å; L277-Y281 HydrophobicContact CG-CE2 3.96Å; L277-Y281 WeakPolarHBondContact O-CD2 3.36Å; L277-Y281 PolarHBondContact O-N 2.81Å; T278-Y281 PolarHBondContact O-N 3.26Å; T279-Y281 VanDerWaalsContact C-N 3.29Å; T279-Y281 PolarHBondContact O-N 2.9Å; Y281-S283 PolarHBondContact O-N 2.99Å; Y281-G284 PolarHBondContact O-N 3.4Å; Y281-A285 HydrophobicContact CD1-CB 4.2Å; Y281-A285 HydrophobicContact CE1-CB 4.48Å
282L93.3Very high95.3Very high17 Ų1713.8 Ų13.89%0.0897%0.072CC..THydrogen-bonded Turntrans-55.2-27.6179.3-81.9-178.4000113.8G168 Y172 L191 K195 T278 T279G168-L282 WeakPolarHBondContact CA-O 3.32Å; G168-L282 PolarHBondContact N-O 3.42Å; Y172-L282 HydrophobicContact CD1-CD2 4.48Å; Y172-L282 HydrophobicContact CG-CD2 4.42Å; L191-L282 HydrophobicContact CD2-CD2 4.31Å; K195-L282 HydrophobicContact CG-CD1 4.09Å; T278-L282 WeakPolarHBondContact O-CG 3.46Å; T278-L282 PolarHBondContact O-N 2.85Å; T279-L282 PolarHBondContact O-N 3.18Å
283S91.2Very high95.2Very high38 Ų3814 Ų1427%0.2667%0.074SC..THydrogen-bonded Turntrans-91.1-4.8179.2-560000113.7Y281 W286Y281-S283 PolarHBondContact O-N 2.99Å; S283-W286 WeakPolarHBondContact O-CH2 3.22Å
284G93.8Very high95.3Very high0 Ų013.7 Ų13.70%07%0.072CC..  trans122.1179.8-173.800000112.9G120 Y281 W286G120-G284 WeakPolarHBondContact CA-O 3.34Å; Y281-G284 PolarHBondContact O-N 3.4Å; G284-W286 WeakPolarHBondContact O-CZ3 3.35Å
285A96.1Very high95.2Very high1 Ų113.7 Ų13.71%0.0087%0.072CC..EExtended strand (participates in β ladder)trans-129.1149.8176.700000108.7Y118 I119 L145 F149 Y281Y118-A285 HydrophobicContact CD2-CB 3.7Å; Y118-A285 HydrophobicContact CG-CB 4.39Å; I119-A285 CarbonylContact O-C 3.56Å; I119-A285 WeakPolarHBondContact O-CA 3.26Å; L145-A285 HydrophobicContact CB-CB 4.25Å; L145-A285 WeakPolarHBondContact CB-O 3.4Å; L145-A285 HydrophobicContact CD1-CB 3.81Å; L145-A285 HydrophobicContact CG-CB 4.01Å; L145-A285 PolarHBondContact N-O 2.68Å; F149-A285 HydrophobicContact CB-CB 4.23Å; F149-A285 HydrophobicContact CD2-CB 3.85Å; F149-A285 HydrophobicContact CG-CB 4.12Å; Y281-A285 HydrophobicContact CD1-CB 4.2Å; Y281-A285 HydrophobicContact CE1-CB 4.48Å
286W97.3Very high95.3Very high15 Ų1513.7 Ų13.76%0.0577%0.072CC..EExtended strand (participates in β ladder)trans-134.9154.7-180-68.6-103.4000110.8Y118 I119 L122 M123 W142 E143 K144 S283 G284Y118-W286 CarbonylContact C-O 3.55Å; Y118-W286 VanDerWaalsContact CA-O 3.3Å; Y118-W286 WeakPolarHBondContact CA-O 3.18Å; I119-W286 PolarHBondContact N-O 3.2Å; I119-W286 PolarHBondContact O-N 3.47Å; L122-W286 HydrophobicContact CB-CB 4.34Å; L122-W286 HydrophobicContact CB-CD2 3.7Å; L122-W286 HydrophobicContact CB-CE3 3.78Å; L122-W286 HydrophobicContact CB-CG 3.93Å; L122-W286 HydrophobicContact CB-CZ3 4.39Å; L122-W286 HydrophobicContact CD1-CB 3.71Å; L122-W286 HydrophobicContact CD1-CG 4.22Å; M123-W286 HydrophobicContact CG-CH2 3.73Å; M123-W286 HydrophobicContact CG-CZ2 3.93Å; M123-W286 HydrophobicContact SD-CH2 3.8Å; M123-W286 HydrophobicContact SD-CZ2 3.5Å; M123-W286 VanDerWaalsContact SD-CZ2 3.5Å; W142-W286 HydrophobicContact CB-CB 4.24Å; W142-W286 HydrophobicContact CB-CG 4.42Å; W142-W286 HydrophobicContact CE3-CB 4.27Å; E143-W286 CarbonylContact O-C 3.06Å; E143-W286 WeakPolarHBondContact O-CA 3.24Å; E143-W286 WeakPolarHBondContact O-CB 3.44Å; K144-W286 HydrophobicContact CD-CZ2 4.03Å; K144-W286 HydrophobicContact CG-CD2 4.44Å; K144-W286 HydrophobicContact CG-CZ2 4.13Å; S283-W286 WeakPolarHBondContact O-CH2 3.22Å; G284-W286 WeakPolarHBondContact O-CZ3 3.35Å
287Y97.2Very high95.4Very high4 Ų414.2 Ų14.22%0.0167%0.073CC..EExtended strand (participates in β ladder)trans-125.2139.5176.3179.6-92000109.6D113 E143 K289 G291 P439 K442 D443D113-Y287 PolarHBondContact OD2-OH 3.25Å; E143-Y287 PolarHBondContact N-O 3.2Å; E143-Y287 PolarHBondContact O-N 3Å; Y287-K289 PolarHBondContact O-N 3.35Å; Y287-G291 WeakPolarHBondContact OH-CA 3.43Å; Y287-P439 HydrophobicContact CE2-CB 4.42Å; Y287-K442 HydrophobicContact CD1-CB 3.81Å; Y287-K442 HydrophobicContact CD2-CB 4.17Å; Y287-K442 HydrophobicContact CD2-CD 3.87Å; Y287-K442 HydrophobicContact CE1-CB 4.39Å; Y287-K442 HydrophobicContact CE2-CD 4.49Å; Y287-K442 HydrophobicContact CG-CB 3.69Å; Y287-K442 HydrophobicContact CG-CD 4.12Å; Y287-D443 HydrophobicContact CD1-CB 4.4Å; Y287-D443 HydrophobicContact CE1-CB 3.88Å
288P95.6Very high95.5Very high0 Ų014.7 Ų14.70%08%0.075CC..EExtended strand (participates in β ladder)trans-69125.1-179.827.7-32.8000110.7I116 L140 W142 A290 G291I116-P288 HydrophobicContact CG2-CG 4.3Å; L140-P288 HydrophobicContact CD1-CB 4.48Å; W142-P288 HydrophobicContact CE3-CB 4.13Å; W142-P288 HydrophobicContact CH2-CB 4.44Å; W142-P288 HydrophobicContact CZ3-CB 3.86Å; W142-P288 HydrophobicContact CZ3-CG 4.23Å; P288-A290 PolarHBondContact O-N 3.46Å; P288-G291 PolarHBondContact O-N 2.91Å
289K94.7Very high95.6Very high58 Ų5814.2 Ų14.225%0.2527%0.071SC..THydrogen-bonded Turntrans-63.1132.2176.9-64.4-168.1-178.1-155.80110.2K40 Q141 E143 Y287 G291 P444K40-K289 PolarHBondContact NZ-O 2.83Å; K40-K289 VanDerWaalsContact NZ-O 3.15Å; Q141-K289 HydrophobicContact CB-CB 4.18Å; Q141-K289 HydrophobicContact CB-CD 4.05Å; Q141-K289 HydrophobicContact CB-CG 4.23Å; Q141-K289 PolarHBondContact O-N 3.13Å; E143-K289 HydrophobicContact CB-CG 4.05Å; E143-K289 WeakPolarHBondContact OE2-CE 3.24Å; E143-K289 IonicContact OE2-NZ 3.78Å; E143-K289 PolarHBondContact OE2-NZ 2.96Å; Y287-K289 PolarHBondContact O-N 3.35Å; K289-G291 VanDerWaalsContact C-N 3.28Å; K289-P444 HydrophobicContact CD-CG 4.27Å; K289-P444 HydrophobicContact CG-CG 4.45Å
290A93.1Very high95.8Very high1 Ų112.1 Ų12.11%0.0086%0.059CC..THydrogen-bonded Turntrans68.118.8-170.700000115.6K40 Y42 P288 E294 D443K40-A290 VanDerWaalsContact CE-CB 3.46Å; Y42-A290 HydrophobicContact CD1-CB 4.39Å; Y42-A290 HydrophobicContact CE1-CB 4.02Å; P288-A290 PolarHBondContact O-N 3.46Å; A290-E294 HydrophobicContact CB-CG 4.05Å; A290-D443 WeakPolarHBondContact CA-OD2 3.44Å; A290-D443 PolarHBondContact N-OD1 3.44Å; A290-D443 PolarHBondContact N-OD2 3.14Å; A290-D443 VanDerWaalsContact N-OD2 3.16Å
291G93.8Very high96Very high1 Ų113 Ų131%0.017%0.067CC..  trans84.9172.1171.200000115.1Y287 P288 K289 S293 E294Y287-G291 WeakPolarHBondContact OH-CA 3.43Å; P288-G291 PolarHBondContact O-N 2.91Å; K289-G291 VanDerWaalsContact C-N 3.28Å; G291-S293 VanDerWaalsContact C-N 3.28Å; G291-S293 PolarHBondContact O-N 3.18Å; G291-E294 WeakPolarHBondContact O-CB 3.42Å; G291-E294 WeakPolarHBondContact O-CG 3.22Å; G291-E294 PolarHBondContact O-N 3.36Å
292S95.1Very high96.2Very high0 Ų012.9 Ų12.90%07%0.068CC..THydrogen-bonded Turntrans-67-24.4-169.960.50000114.9C102 H103 D113 E294 I295C102-S292 CarbonylContact O-C 3.46Å; C102-S292 VanDerWaalsContact O-O 3.12Å; H103-S292 PolarHBondContact O-OG 2.62Å; D113-S292 WeakPolarHBondContact OD1-CB 3.41Å; D113-S292 PolarHBondContact OD1-N 2.84Å; D113-S292 PolarHBondContact OD1-OG 2.83Å; S292-E294 PolarHBondContact O-N 3.12Å; S292-I295 WeakPolarHBondContact O-CB 3.27Å; S292-I295 WeakPolarHBondContact O-CD1 3.48Å; S292-I295 WeakPolarHBondContact O-CG1 3.28Å; S292-I295 PolarHBondContact O-N 3.04Å
293S95.8Very high96.5Very high5 Ų512.1 Ų12.14%0.0356%0.064CC..Hα-helixtrans-58.3-21.5177.465.70000114K47 C102 G291 I295 A296 Y297K47-S293 PolarHBondContact NZ-OG 2.81Å; C102-S293 WeakPolarHBondContact O-CA 3.32Å; G291-S293 VanDerWaalsContact C-N 3.28Å; G291-S293 PolarHBondContact O-N 3.18Å; S293-I295 PolarHBondContact O-N 3.34Å; S293-A296 PolarHBondContact O-N 2.94Å; S293-Y297 WeakPolarHBondContact O-CB 3.42Å; S293-Y297 PolarHBondContact O-N 3.04Å; S293-Y297 VanDerWaalsContact O-N 3.07Å
294E96.8Very high96.8Very high0 Ų013.2 Ų13.20%07%0.065CC..Hα-helixtrans-61.7-28.1175.5-66-64.5123.200112.9K40 K47 L140 A290 G291 S292 Y297 H298K40-E294 WeakPolarHBondContact CE-OE2 3.4Å; K40-E294 VanDerWaalsContact NZ-CD 3.28Å; K40-E294 IonicContact NZ-OE2 3.74Å; K40-E294 PolarHBondContact NZ-OE2 2.77Å; K47-E294 WeakPolarHBondContact CE-OE1 3.38Å; K47-E294 IonicContact NZ-OE1 3.23Å; K47-E294 PolarHBondContact NZ-OE1 2.96Å; L140-E294 HydrophobicContact CD1-CB 3.71Å; A290-E294 HydrophobicContact CB-CG 4.05Å; G291-E294 WeakPolarHBondContact O-CB 3.42Å; G291-E294 WeakPolarHBondContact O-CG 3.22Å; G291-E294 PolarHBondContact O-N 3.36Å; S292-E294 PolarHBondContact O-N 3.12Å; E294-Y297 PolarHBondContact O-N 3.14Å; E294-H298 PolarHBondContact O-CD2 3.02Å; E294-H298 PolarHBondContact O-N 3.26Å; E294-H298 IonicContact OE2-CD2 3.11Å; E294-H298 IonicContact OE2-NE2 2.68Å; E294-H298 PolarHBondContact OE2-NE2 3.39Å
295I97.6Very high97Very high1 Ų121.9 Ų21.91%0.00510%0.103CC..Hα-helixtrans-60.1-57.6177.7-66.2159.9000109.6V73 C102 I116 L140 S292 S293 Y297 H298 M299 F570V73-I295 HydrophobicContact CG2-CG2 4.21Å; C102-I295 HydrophobicContact CB-CB 4.35Å; C102-I295 HydrophobicContact CB-CD1 3.98Å; C102-I295 HydrophobicContact CB-CG2 4.45Å; I116-I295 HydrophobicContact CG1-CD1 4.38Å; L140-I295 HydrophobicContact CD1-CG1 4.26Å; L140-I295 HydrophobicContact CD2-CG1 3.81Å; S292-I295 WeakPolarHBondContact O-CB 3.27Å; S292-I295 WeakPolarHBondContact O-CD1 3.48Å; S292-I295 WeakPolarHBondContact O-CG1 3.28Å; S292-I295 PolarHBondContact O-N 3.04Å; S293-I295 PolarHBondContact O-N 3.34Å; I295-Y297 VanDerWaalsContact C-N 3.34Å; I295-Y297 PolarHBondContact O-N 3.15Å; I295-H298 PolarHBondContact O-N 2.84Å; I295-M299 HydrophobicContact CG2-CE 3.98Å; I295-M299 HydrophobicContact CG2-SD 4.07Å; I295-M299 WeakPolarHBondContact O-CG 3.45Å; I295-M299 PolarHBondContact O-N 3.17Å; I295-F570 HydrophobicContact CD1-CD2 4.27Å; I295-F570 HydrophobicContact CD1-CE2 3.58Å; I295-F570 HydrophobicContact CD1-CZ 3.91Å; I295-F570 HydrophobicContact CG1-CE2 4.21Å; I295-F570 HydrophobicContact CG1-CZ 4.25Å; I295-F570 HydrophobicContact CG2-CE2 3.86Å; I295-F570 HydrophobicContact CG2-CZ 4.26Å
296A97.9Very high97.1Very high0 Ų023.2 Ų23.20%011%0.113CC..Hα-helixtrans-66.3-39.1179.500000111.4L51 L76 S293 H298 M299 I300L51-A296 HydrophobicContact CD2-CB 3.75Å; L76-A296 HydrophobicContact CD1-CB 3.72Å; S293-A296 PolarHBondContact O-N 2.94Å; A296-H298 VanDerWaalsContact C-N 3.26Å; A296-H298 PolarHBondContact O-N 3.16Å; A296-M299 PolarHBondContact O-N 3.29Å; A296-I300 HydrophobicContact CB-CD1 4.41Å; A296-I300 WeakPolarHBondContact O-CD1 3.37Å; A296-I300 VanDerWaalsContact O-CG1 3.24Å; A296-I300 WeakPolarHBondContact O-CG1 3.37Å; A296-I300 PolarHBondContact O-N 3.02Å
297Y98.3Very high97.2Very high32 Ų3224 Ų2413%0.12513%0.126CC..Hα-helixtrans-57.4-37.9180178-103.4000112.7K47 I50 S293 E294 I295 P301K47-Y297 HydrophobicContact CB-CD2 4.32Å; K47-Y297 HydrophobicContact CB-CE2 4.3Å; K47-Y297 HydrophobicContact CG-CD2 4.12Å; K47-Y297 HydrophobicContact CG-CE2 3.92Å; I50-Y297 HydrophobicContact CB-CD2 4.12Å; I50-Y297 HydrophobicContact CB-CE2 4.27Å; I50-Y297 HydrophobicContact CD1-CD2 3.93Å; I50-Y297 HydrophobicContact CD1-CE2 3.41Å; I50-Y297 VanDerWaalsContact CD1-CE2 3.41Å; I50-Y297 HydrophobicContact CG1-CD2 4.4Å; I50-Y297 HydrophobicContact CG1-CE2 4.06Å; I50-Y297 HydrophobicContact CG2-CD2 4.38Å; S293-Y297 WeakPolarHBondContact O-CB 3.42Å; S293-Y297 PolarHBondContact O-N 3.04Å; S293-Y297 VanDerWaalsContact O-N 3.07Å; E294-Y297 PolarHBondContact O-N 3.14Å; I295-Y297 VanDerWaalsContact C-N 3.34Å; I295-Y297 PolarHBondContact O-N 3.15Å; Y297-P301 WeakPolarHBondContact O-CD 3.46Å; Y297-P301 WeakPolarHBondContact O-CG 3.17Å
298H98.3Very high97.3Very high28 Ų2824.2 Ų24.213%0.1313%0.13CC..Hα-helixtrans-88.2-21179.2-67.6-53000114.5T136 Q139 E294 I295 A296T136-H298 HydrophobicContact CG2-CB 4.19Å; Q139-H298 HydrophobicContact CB-CB 4.33Å; Q139-H298 WeakPolarHBondContact CB-ND1 3.31Å; E294-H298 PolarHBondContact O-CD2 3.02Å; E294-H298 PolarHBondContact O-N 3.26Å; E294-H298 IonicContact OE2-CD2 3.11Å; E294-H298 IonicContact OE2-NE2 2.68Å; E294-H298 PolarHBondContact OE2-NE2 3.39Å; I295-H298 PolarHBondContact O-N 2.84Å; A296-H298 VanDerWaalsContact C-N 3.26Å; A296-H298 PolarHBondContact O-N 3.16Å
299M98.8Very high97.4Very high0 Ų024.8 Ų24.80%013%0.134CC..Hα-helixtrans-78.9-41.6176.2-73.5178.8175.700112.6V73 L76 V80 M135 T136 I295 A296 I302 L574V73-M299 HydrophobicContact CG2-CE 4.27Å; L76-M299 HydrophobicContact CB-SD 3.83Å; V80-M299 HydrophobicContact CG2-CB 3.77Å; V80-M299 HydrophobicContact CG2-CG 4.07Å; M135-M299 HydrophobicContact CB-CE 4.07Å; M135-M299 WeakPolarHBondContact O-CG 3.17Å; T136-M299 HydrophobicContact CG2-CE 4.28Å; T136-M299 HydrophobicContact CG2-CG 4.15Å; I295-M299 HydrophobicContact CG2-CE 3.98Å; I295-M299 HydrophobicContact CG2-SD 4.07Å; I295-M299 WeakPolarHBondContact O-CG 3.45Å; I295-M299 PolarHBondContact O-N 3.17Å; A296-M299 PolarHBondContact O-N 3.29Å; M299-I302 WeakPolarHBondContact O-CB 3.48Å; M299-I302 PolarHBondContact O-N 3.47Å; M299-L574 HydrophobicContact CE-CD2 4.47Å
300I98.8Very high97.6Very high0 Ų022.1 Ų22.10%012%0.123CC..Hα-helixtrans-57.6-47-173.3-68.8163.9000113.2I50 L51 L76 A98 A296 I302 I303 E304 V310I50-I300 HydrophobicContact CG2-CB 3.74Å; I50-I300 HydrophobicContact CG2-CD1 4.08Å; I50-I300 HydrophobicContact CG2-CG2 3.63Å; L51-I300 HydrophobicContact CD2-CD1 4.12Å; L76-I300 HydrophobicContact CD2-CG1 4.29Å; A98-I300 HydrophobicContact CB-CD1 3.9Å; A296-I300 HydrophobicContact CB-CD1 4.41Å; A296-I300 WeakPolarHBondContact O-CD1 3.37Å; A296-I300 VanDerWaalsContact O-CG1 3.24Å; A296-I300 WeakPolarHBondContact O-CG1 3.37Å; A296-I300 PolarHBondContact O-N 3.02Å; I300-I302 PolarHBondContact O-N 3.4Å; I300-I302 VanDerWaalsContact O-N 3.11Å; I300-I303 WeakPolarHBondContact O-CB 3.44Å; I300-I303 PolarHBondContact O-N 3.34Å; I300-E304 HydrophobicContact CG2-CG 4.11Å; I300-E304 PolarHBondContact O-N 3.12Å; I300-V310 HydrophobicContact CB-CG2 4.45Å; I300-V310 HydrophobicContact CD1-CB 4.46Å; I300-V310 HydrophobicContact CD1-CG1 4.25Å; I300-V310 HydrophobicContact CG1-CB 4.11Å; I300-V310 HydrophobicContact CG1-CG1 4.22Å; I300-V310 HydrophobicContact CG1-CG2 3.92Å; I300-V310 HydrophobicContact CG2-CB 4.21Å; I300-V310 HydrophobicContact CG2-CG2 4.14Å
301P98.5Very high97.9Very high51 Ų5122.1 Ų22.133%0.33112%0.123SC..Hα-helixtrans-60.9-26.9-178.5-2737000114I50 Y297 K305I50-P301 HydrophobicContact CD1-CG 4.07Å; I50-P301 HydrophobicContact CG2-CG 4.4Å; Y297-P301 WeakPolarHBondContact O-CD 3.46Å; Y297-P301 WeakPolarHBondContact O-CG 3.17Å; P301-K305 VanDerWaalsContact O-CB 3.25Å; P301-K305 WeakPolarHBondContact O-CB 3.26Å; P301-K305 PolarHBondContact O-N 3.49Å
302I98.7Very high98.1Very high18 Ų1822.1 Ų22.19%0.09212%0.123CC..Hα-helixtrans-68.5-40.5176.5-57.4168.5000110V80 K84 M135 N137 M299 I300 A306V80-I302 HydrophobicContact CG1-CD1 4.14Å; V80-I302 HydrophobicContact CG1-CG2 4.05Å; V80-I302 HydrophobicContact CG2-CB 4.39Å; K84-I302 HydrophobicContact CG-CG2 4.27Å; M135-I302 VanDerWaalsContact O-CD1 3.3Å; M135-I302 WeakPolarHBondContact O-CD1 3.49Å; N137-I302 WeakPolarHBondContact OD1-CD1 3.27Å; M299-I302 WeakPolarHBondContact O-CB 3.48Å; M299-I302 PolarHBondContact O-N 3.47Å; I300-I302 PolarHBondContact O-N 3.4Å; I300-I302 VanDerWaalsContact O-N 3.11Å; I302-A306 PolarHBondContact O-N 2.8Å
303I98.9Very high98.1Very high1 Ų127.9 Ų27.91%0.00515%0.145CC..Hα-helixtrans-65.7-46.5177.7-58.9164.7000109.9L76 A79 V80 V91 I300 A306 G308 V310L76-I303 HydrophobicContact CD2-CD1 4.12Å; A79-I303 HydrophobicContact CB-CD1 3.46Å; A79-I303 VanDerWaalsContact CB-CD1 3.46Å; A79-I303 HydrophobicContact CB-CG1 3.86Å; V80-I303 HydrophobicContact CG2-CD1 4.18Å; V80-I303 HydrophobicContact CG2-CG1 3.94Å; V91-I303 HydrophobicContact CG2-CD1 4.45Å; I300-I303 WeakPolarHBondContact O-CB 3.44Å; I300-I303 PolarHBondContact O-N 3.34Å; I303-A306 PolarHBondContact O-N 2.99Å; I303-G308 WeakPolarHBondContact O-CA 3.4Å; I303-G308 PolarHBondContact O-N 2.81Å; I303-V310 HydrophobicContact CD1-CG2 3.76Å; I303-V310 HydrophobicContact CG2-CG2 4.33Å
304E98.7Very high98.2Very high62 Ų6227.7 Ų27.729%0.2914%0.143SC..Hα-helixtrans-66.2-39-178.7-65.8179.1151.100112.5Q53 I300 A306 G307 G308Q53-E304 PolarHBondContact NE2-OE1 3.41Å; I300-E304 HydrophobicContact CG2-CG 4.11Å; I300-E304 PolarHBondContact O-N 3.12Å; E304-A306 PolarHBondContact O-N 3.27Å; E304-G307 WeakPolarHBondContact O-CA 3.36Å; E304-G307 PolarHBondContact O-N 3.39Å; E304-G308 WeakPolarHBondContact CA-O 3.22Å
305K98.3Very high98.1Very high182 Ų18230.2 Ų30.279%0.79116%0.16SC*.Hα-helixtrans-61.8-28175.7-174176.3179-179.40112.7P301 G307P301-K305 VanDerWaalsContact O-CB 3.25Å; P301-K305 WeakPolarHBondContact O-CB 3.26Å; P301-K305 PolarHBondContact O-N 3.49Å; K305-G307 PolarHBondContact O-N 3.44Å
306A98.3Very high98.1Very high28 Ų2831.1 Ų31.123%0.23117%0.165CC..THydrogen-bonded Turntrans-82.12.9173.800000113.4A83 I302 I303 E304A83-A306 HydrophobicContact CB-CB 3.63Å; I302-A306 PolarHBondContact O-N 2.8Å; I303-A306 PolarHBondContact O-N 2.99Å; E304-A306 PolarHBondContact O-N 3.27Å
307G98.4Very high98Very high32 Ų3233.8 Ų33.833%0.3318%0.179SC..THydrogen-bonded Turntrans84.512.3-177.100000114.3P61 E304 K305P61-G307 WeakPolarHBondContact CB-O 3.16Å; E304-G307 WeakPolarHBondContact O-CA 3.36Å; E304-G307 PolarHBondContact O-N 3.39Å; K305-G307 PolarHBondContact O-N 3.44Å
308G98.7Very high97.9Very high9 Ų937.8 Ų37.89%0.09319%0.194CC..  trans-84.9-17417000000113V89 I303 E304V89-G308 CarbonylContact O-C 3.35Å; V89-G308 WeakPolarHBondContact O-CA 3.44Å; I303-G308 WeakPolarHBondContact O-CA 3.4Å; I303-G308 PolarHBondContact O-N 2.81Å; E304-G308 WeakPolarHBondContact CA-O 3.22Å
309A98.8Very high98Very high11 Ų1136.5 Ų36.59%0.09119%0.188CC..EExtended strand (participates in β ladder)trans-151.8155.1175.500000111.8P61 V89 L90 V91 L311P61-A309 HydrophobicContact CG-CB 3.77Å; V89-A309 PolarHBondContact O-N 2.94Å; L90-A309 CarbonylContact C-O 3.32Å; L90-A309 WeakPolarHBondContact CA-O 3.45Å; L90-A309 HydrophobicContact CD1-CB 3.87Å; V91-A309 PolarHBondContact N-O 3.36Å; A309-L311 HydrophobicContact CB-CD2 4.45Å; A309-L311 HydrophobicContact CB-CG 4.31Å
310V98.9Very high97.9Very high2 Ų238 Ų381%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-123.1110.8171-178.10000108.8L76 V91 A98 I300 I303L76-V310 HydrophobicContact CD2-CG1 4.23Å; L76-V310 HydrophobicContact CD2-CG2 4.19Å; V91-V310 HydrophobicContact CB-CB 4.34Å; V91-V310 HydrophobicContact CB-CG1 4.14Å; V91-V310 HydrophobicContact CB-CG2 3.96Å; V91-V310 HydrophobicContact CG1-CG1 4.33Å; V91-V310 HydrophobicContact CG2-CG2 4.05Å; V91-V310 WeakPolarHBondContact O-CA 3.46Å; A98-V310 HydrophobicContact CB-CG1 4.05Å; I300-V310 HydrophobicContact CB-CG2 4.45Å; I300-V310 HydrophobicContact CD1-CB 4.46Å; I300-V310 HydrophobicContact CD1-CG1 4.25Å; I300-V310 HydrophobicContact CG1-CB 4.11Å; I300-V310 HydrophobicContact CG1-CG1 4.22Å; I300-V310 HydrophobicContact CG1-CG2 3.92Å; I300-V310 HydrophobicContact CG2-CB 4.21Å; I300-V310 HydrophobicContact CG2-CG2 4.14Å; I303-V310 HydrophobicContact CD1-CG2 3.76Å; I303-V310 HydrophobicContact CG2-CG2 4.33Å
311L98.6Very high97.9Very high2 Ų240 Ų401%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-117.6120.7-171.2-58.2-179.3000111.3Q53 F55 K59 V60 L90 V91 L92 E93 A309Q53-L311 HydrophobicContact CB-CD2 4.48Å; Q53-L311 CarbonylContact O-C 3.52Å; Q53-L311 WeakPolarHBondContact O-CA 3.46Å; F55-L311 HydrophobicContact CB-CB 4.17Å; F55-L311 HydrophobicContact CD2-CB 4.18Å; F55-L311 HydrophobicContact CD2-CD1 3.71Å; F55-L311 HydrophobicContact CE2-CD1 4.34Å; K59-L311 HydrophobicContact CB-CD1 4.15Å; K59-L311 HydrophobicContact CB-CD2 4.14Å; K59-L311 HydrophobicContact CD-CD2 4.34Å; V60-L311 HydrophobicContact CG2-CD1 4.42Å; L90-L311 HydrophobicContact CD1-CD1 3.81Å; L90-L311 HydrophobicContact CD1-CG 4Å; V91-L311 PolarHBondContact O-N 2.95Å; L92-L311 HydrophobicContact CD2-CB 4.27Å; E93-L311 PolarHBondContact N-O 3.46Å; A309-L311 HydrophobicContact CB-CD2 4.45Å; A309-L311 HydrophobicContact CB-CG 4.31Å
312V98.1Very high97.9Very high1 Ų140.4 Ų40.41%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-92165.7178.6-57.10000111.6K52 Q53 G54 F55 E93 H95 A98 A314K52-V312 VanDerWaalsContact C-CG2 3.43Å; K52-V312 WeakPolarHBondContact O-CG2 3.48Å; Q53-V312 VanDerWaalsContact O-CG2 3.31Å; Q53-V312 WeakPolarHBondContact O-CG2 3.46Å; Q53-V312 PolarHBondContact O-N 3.4Å; G54-V312 WeakPolarHBondContact CA-O 3.45Å; F55-V312 PolarHBondContact N-O 2.89Å; E93-V312 HydrophobicContact CB-CB 4.44Å; E93-V312 HydrophobicContact CB-CG1 4.1Å; E93-V312 HydrophobicContact CG-CB 4.5Å; E93-V312 HydrophobicContact CG-CG1 4.14Å; E93-V312 CarbonylContact O-C 3.55Å; E93-V312 WeakPolarHBondContact O-CA 3.4Å; H95-V312 WeakPolarHBondContact O-CB 3.33Å; A98-V312 HydrophobicContact CB-CG1 4.02Å; V312-A314 PolarHBondContact O-N 3.34Å
313R96Very high97.7Very high121 Ų12147.9 Ų47.946%0.45724%0.244SC..SBendtrans57.836.3-172.3-54.2177.5-71.1-76.26.6111.8K52 E93 H95 S96 P315K52-R313 PolarHBondContact O-NH1 3.4Å; K52-R313 PolarHBondContact O-NH2 2.88Å; E93-R313 PolarHBondContact O-N 2.98Å; H95-R313 PolarHBondContact O-N 2.89Å; S96-R313 PolarHBondContact O-NH1 2.92Å; R313-P315 VanDerWaalsContact C-CD 3.41Å; R313-P315 WeakPolarHBondContact O-CD 3.48Å
314A96.3Very high97.6Very high1 Ų151.1 Ų51.11%0.00827%0.271CS..  trans-117.271.5176.400000110.5F55 L92 E93 V312 V316 V332F55-A314 HydrophobicContact CB-CB 3.75Å; F55-A314 HydrophobicContact CD2-CB 4Å; F55-A314 HydrophobicContact CG-CB 3.85Å; L92-A314 HydrophobicContact CB-CB 4.05Å; L92-A314 HydrophobicContact CD2-CB 3.78Å; L92-A314 HydrophobicContact CG-CB 4.46Å; E93-A314 PolarHBondContact O-N 2.98Å; V312-A314 PolarHBondContact O-N 3.34Å; A314-V316 PolarHBondContact O-N 3.05Å; A314-V332 HydrophobicContact CB-CG1 3.88Å
315P95.3Very high97.5Very high53 Ų5354.3 Ų54.334%0.34428%0.284SS..  trans-64.8112.9173.228.9-33.1000109.2Q94 R313 N317 L333Q94-P315 HydrophobicContact CB-CB 4.17Å; R313-P315 VanDerWaalsContact C-CD 3.41Å; R313-P315 WeakPolarHBondContact O-CD 3.48Å; P315-N317 PolarHBondContact O-N 3.27Å; P315-L333 PolarHBondContact O-N 3.21Å; P315-L333 VanDerWaalsContact O-N 3.17Å
316V97.6Very high97.4Very high19 Ų1947.8 Ų47.812%0.11526%0.256CS..EExtended strand (participates in β ladder)trans-73121.9170.3174.30000107.8I69 L92 A314 V330 S331 V332 L359I69-V316 HydrophobicContact CD1-CG1 4.03Å; I69-V316 HydrophobicContact CG1-CG1 4.37Å; I69-V316 HydrophobicContact CG1-CG2 4.33Å; I69-V316 HydrophobicContact CG2-CB 3.93Å; I69-V316 HydrophobicContact CG2-CG1 4.35Å; I69-V316 HydrophobicContact CG2-CG2 4.01Å; L92-V316 HydrophobicContact CB-CG2 4.01Å; L92-V316 HydrophobicContact CD1-CG2 3.69Å; A314-V316 PolarHBondContact O-N 3.05Å; V316-V330 HydrophobicContact CG1-CB 3.86Å; V316-V330 HydrophobicContact CG1-CG1 4.12Å; V316-V330 HydrophobicContact CG2-CB 4.44Å; V316-V330 HydrophobicContact CG2-CG2 4.34Å; V316-S331 VanDerWaalsContact CA-O 3.3Å; V316-S331 WeakPolarHBondContact CA-O 3.41Å; V316-S331 WeakPolarHBondContact CG1-O 3.37Å; V316-V332 HydrophobicContact CG2-CG2 4.2Å; V316-L359 HydrophobicContact CG1-CD2 4.26Å; V316-L359 VanDerWaalsContact O-CD2 3.28Å; V316-L359 WeakPolarHBondContact O-CD2 3.44Å
317N95.4Very high97.5Very high56 Ų5646.4 Ų46.430%0.29925%0.245SC..EExtended strand (participates in β ladder)trans-95.6-28.4-178.666.7-21.9000112.6P315 S331 L333 E338P315-N317 PolarHBondContact O-N 3.27Å; N317-S331 PolarHBondContact N-O 3.1Å; N317-S331 WeakPolarHBondContact OD1-CB 3.45Å; N317-S331 PolarHBondContact OD1-O 3.44Å; N317-S331 PolarHBondContact OD1-OG 3Å; N317-S331 VanDerWaalsContact OD1-OG 3.13Å; N317-L333 HydrophobicContact CB-CB 4.48Å; N317-E338 PolarHBondContact ND2-OE1 3.24Å
318R97.4Very high97.5Very high116 Ų11646.9 Ų46.944%0.43824%0.243SC..EExtended strand (participates in β ladder)trans-156.2153.317657.1178.3141.7-146.8-0.3113.1L320 S331 E338 L359R318-L320 HydrophobicContact CG-CD2 4.4Å; R318-S331 PolarHBondContact O-N 2.99Å; R318-E338 IonicContact CZ-OE1 2.8Å; R318-E338 IonicContact CZ-OE2 3.88Å; R318-E338 IonicContact NE-OE1 3.66Å; R318-E338 PolarHBondContact NE-OE1 3.29Å; R318-E338 IonicContact NH2-OE1 3.48Å; R318-E338 PolarHBondContact NH2-OE1 3.4Å; R318-E338 IonicContact NH2-OE2 3.82Å; R318-E338 PolarHBondContact NH2-OE2 3.42Å; R318-L359 WeakPolarHBondContact CA-O 3.48Å
319I98.8Very high97.5Very high2 Ų246.5 Ų46.51%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-85.8135.9167-63.1161.1000108.4I69 F321 A327 V346 T355 L359 L360 L558I69-I319 HydrophobicContact CD1-CD1 4.18Å; I69-I319 HydrophobicContact CD1-CG1 3.86Å; I319-F321 HydrophobicContact CB-CE2 3.8Å; I319-F321 HydrophobicContact CB-CZ 4.27Å; I319-F321 HydrophobicContact CG2-CD2 4.23Å; I319-F321 HydrophobicContact CG2-CE1 4.47Å; I319-F321 HydrophobicContact CG2-CE2 3.49Å; I319-F321 VanDerWaalsContact CG2-CE2 3.49Å; I319-F321 HydrophobicContact CG2-CZ 3.63Å; I319-F321 WeakPolarHBondContact O-CD2 3.3Å; I319-A327 HydrophobicContact CG2-CB 4.14Å; I319-V346 HydrophobicContact CD1-CG1 4.47Å; I319-V346 HydrophobicContact CG1-CG1 4.19Å; I319-V346 HydrophobicContact CG2-CG1 4.19Å; I319-V346 HydrophobicContact CG2-CG2 4.37Å; I319-T355 HydrophobicContact CD1-CG2 4.11Å; I319-L359 HydrophobicContact CD1-CB 3.89Å; I319-L359 HydrophobicContact CG1-CB 4.07Å; I319-L359 PolarHBondContact N-O 3.46Å; I319-L360 HydrophobicContact CD1-CD2 4.13Å; I319-L558 HydrophobicContact CD1-CD1 3.79Å; I319-L558 HydrophobicContact CD1-CD2 4.2Å
320L98.6Very high97.4Very high30 Ų3046 Ų4616%0.15723%0.234CC..EExtended strand (participates in β ladder)trans-92.4139.3179.1-58.1176.9000110R318 A327 C328 G329 V330 H340R318-L320 HydrophobicContact CG-CD2 4.4Å; L320-A327 WeakPolarHBondContact O-CA 3.26Å; L320-C328 PolarHBondContact O-N 3.15Å; L320-G329 PolarHBondContact N-O 3.31Å; L320-V330 WeakPolarHBondContact CD1-O 3.45Å; L320-H340 HydrophobicContact CD1-CB 3.88Å
321F98.5Very high97.4Very high43 Ų4345.9 Ų45.919%0.18923%0.234CC..EExtended strand (participates in β ladder)trans-125.5146179.2-67.8-91.4000110.2I319 K325 E326 A327 C328 L360 P361 L364 L555 L558I319-F321 HydrophobicContact CB-CE2 3.8Å; I319-F321 HydrophobicContact CB-CZ 4.27Å; I319-F321 HydrophobicContact CG2-CD2 4.23Å; I319-F321 HydrophobicContact CG2-CE1 4.47Å; I319-F321 HydrophobicContact CG2-CE2 3.49Å; I319-F321 VanDerWaalsContact CG2-CE2 3.49Å; I319-F321 HydrophobicContact CG2-CZ 3.63Å; I319-F321 WeakPolarHBondContact O-CD2 3.3Å; F321-K325 WeakPolarHBondContact CD1-O 3.44Å; F321-E326 VanDerWaalsContact CA-O 3.31Å; F321-E326 WeakPolarHBondContact CA-O 3.12Å; F321-A327 HydrophobicContact CD1-CB 4.28Å; F321-A327 HydrophobicContact CE1-CB 3.87Å; F321-A327 HydrophobicContact CZ-CB 4.37Å; F321-C328 VanDerWaalsContact C-SG 3.57Å; F321-L360 HydrophobicContact CE2-CD2 3.78Å; F321-L360 HydrophobicContact CZ-CD2 3.5Å; F321-L360 VanDerWaalsContact CZ-CD2 3.5Å; F321-P361 HydrophobicContact CD2-CG 3.94Å; F321-P361 HydrophobicContact CE2-CG 4.2Å; F321-L364 HydrophobicContact CD1-CD1 3.71Å; F321-L364 HydrophobicContact CD2-CD1 3.67Å; F321-L364 HydrophobicContact CE1-CD1 3.7Å; F321-L364 HydrophobicContact CE2-CD1 3.64Å; F321-L364 HydrophobicContact CG-CD1 3.72Å; F321-L364 HydrophobicContact CZ-CD1 3.67Å; F321-L555 HydrophobicContact CE1-CB 4.2Å; F321-L555 HydrophobicContact CE1-CD1 3.91Å; F321-L555 HydrophobicContact CE1-CD2 4.31Å; F321-L555 HydrophobicContact CE1-CG 4.37Å; F321-L555 HydrophobicContact CZ-CD1 3.82Å; F321-L558 HydrophobicContact CZ-CD2 4.46Å
322N97.2Very high97.3Very high60 Ų6045.8 Ų45.832%0.32123%0.233SC..  trans-81.3178.4169.467.813.2000111.3A324 K325 E326N322-A324 PolarHBondContact O-N 3.44Å; N322-A324 VanDerWaalsContact O-N 3.17Å; N322-A324 WeakPolarHBondContact OD1-CA 3.1Å; N322-A324 WeakPolarHBondContact OD1-CB 3.46Å; N322-A324 PolarHBondContact OD1-N 2.84Å; N322-K325 WeakPolarHBondContact O-CA 3.36Å; N322-K325 PolarHBondContact O-N 2.94Å; N322-K325 PolarHBondContact OD1-N 2.87Å; N322-K325 VanDerWaalsContact OD1-N 3.17Å; N322-E326 PolarHBondContact N-O 2.87Å; N322-E326 PolarHBondContact ND2-OE2 3.34Å; N322-E326 VanDerWaalsContact ND2-OE2 3.08Å; N322-E326 WeakPolarHBondContact OD1-CB 3.05Å; N322-E326 PolarHBondContact OD1-N 3.28Å; N322-E326 PolarHBondContact OD1-O 2.85Å
323D95.4Very high96.7Very high175 Ų17549.2 Ų49.294%0.93625%0.251SS*.THydrogen-bonded Turntrans-60.5-26.3179.3-59.4-28.6000113.1K325D323-K325 PolarHBondContact O-N 3Å
324A96.2Very high96Very high68 Ų6847.9 Ų47.956%0.56225%0.249SC*.THydrogen-bonded Turntrans-81.96.6174.900000113.6N322 E326N322-A324 PolarHBondContact O-N 3.44Å; N322-A324 VanDerWaalsContact O-N 3.17Å; N322-A324 WeakPolarHBondContact OD1-CA 3.1Å; N322-A324 WeakPolarHBondContact OD1-CB 3.46Å; N322-A324 PolarHBondContact OD1-N 2.84Å; A324-E326 HydrophobicContact CB-CG 4.03Å; A324-E326 PolarHBondContact O-N 3.13Å
325K95.9Very high95.2Very high129 Ų12951.1 Ų51.156%0.56128%0.282SS*.SBendtrans6031-177.6-56.7176.5174.7-176.20113.6F321 N322 D323 L364F321-K325 WeakPolarHBondContact CD1-O 3.44Å; N322-K325 WeakPolarHBondContact O-CA 3.36Å; N322-K325 PolarHBondContact O-N 2.94Å; N322-K325 PolarHBondContact OD1-N 2.87Å; N322-K325 VanDerWaalsContact OD1-N 3.17Å; D323-K325 PolarHBondContact O-N 3Å; K325-L364 HydrophobicContact CB-CD2 4.38Å; K325-L364 HydrophobicContact CD-CD2 3.92Å; K325-L364 HydrophobicContact CG-CD2 4.3Å
326E98Very high94.3Very high45 Ų4558 Ų5821%0.2131%0.31CS..  trans-97.2136.6173-47.2175.4143.400109.2F321 N322 A324 C328 K556F321-E326 VanDerWaalsContact CA-O 3.31Å; F321-E326 WeakPolarHBondContact CA-O 3.12Å; N322-E326 PolarHBondContact N-O 2.87Å; N322-E326 PolarHBondContact ND2-OE2 3.34Å; N322-E326 VanDerWaalsContact ND2-OE2 3.08Å; N322-E326 WeakPolarHBondContact OD1-CB 3.05Å; N322-E326 PolarHBondContact OD1-N 3.28Å; N322-E326 PolarHBondContact OD1-O 2.85Å; A324-E326 HydrophobicContact CB-CG 4.03Å; A324-E326 PolarHBondContact O-N 3.13Å; E326-C328 PolarHBondContact O-N 2.96Å; E326-K556 HydrophobicContact CB-CB 4.34Å; E326-K556 HydrophobicContact CG-CB 4.14Å; E326-K556 HydrophobicContact CG-CD 4.16Å; E326-K556 HydrophobicContact CG-CG 4.37Å; E326-K556 VanDerWaalsContact OE1-CD 3.24Å; E326-K556 WeakPolarHBondContact OE1-CD 3.31Å; E326-K556 VanDerWaalsContact OE1-CE 3.28Å; E326-K556 WeakPolarHBondContact OE1-CE 3.28Å; E326-K556 IonicContact OE1-NZ 2.68Å; E326-K556 PolarHBondContact OE1-NZ 2.92Å
327A98.7Very high93.8Very high0 Ų063.7 Ų63.70%034%0.335CS..EExtended strand (participates in β ladder)trans-63.7131.9177.700000110I319 L320 F321 V346 K556 N557 L558I319-A327 HydrophobicContact CG2-CB 4.14Å; L320-A327 WeakPolarHBondContact O-CA 3.26Å; F321-A327 HydrophobicContact CD1-CB 4.28Å; F321-A327 HydrophobicContact CE1-CB 3.87Å; F321-A327 HydrophobicContact CZ-CB 4.37Å; A327-V346 HydrophobicContact CB-CB 4.18Å; A327-V346 HydrophobicContact CB-CG2 3.99Å; A327-K556 PolarHBondContact N-O 3.35Å; A327-N557 HydrophobicContact CB-CB 4.26Å; A327-N557 WeakPolarHBondContact O-CB 3.29Å; A327-N557 PolarHBondContact O-ND2 2.77Å; A327-L558 HydrophobicContact CB-CB 3.98Å
328C98.4Very high93.6Very high42 Ų4264.4 Ų64.428%0.28434%0.337SS..EExtended strand (participates in β ladder)trans-135.26.6-173.1680000113.8L320 F321 E326 K342 A343L320-C328 PolarHBondContact O-N 3.15Å; F321-C328 VanDerWaalsContact C-SG 3.57Å; E326-C328 PolarHBondContact O-N 2.96Å; C328-K342 WeakPolarHBondContact O-CA 3.3Å; C328-A343 CarbonylContact C-O 3.53Å; C328-A343 WeakPolarHBondContact CA-O 3.39Å; C328-A343 PolarHBondContact O-N 2.73Å; C328-A343 VanDerWaalsContact O-O 3.05Å
329G98.5Very high93.6Very high0 Ų060.3 Ų60.30%032%0.324CS..EExtended strand (participates in β ladder)trans158.4-168.3179.300000113L320 I341 V346L320-G329 PolarHBondContact N-O 3.31Å; G329-I341 CarbonylContact C-O 3.58Å; G329-I341 WeakPolarHBondContact CA-O 3.42Å; G329-V346 WeakPolarHBondContact O-CG2 3.4Å
330V98.7Very high93.5Very high0 Ų065.6 Ų65.60%035%0.349CS..EExtended strand (participates in β ladder)trans-137.8159.2177.2-63.80000110V67 I69 L92 V316 L320 I341 V346V67-V330 HydrophobicContact CG1-CG1 3.83Å; V67-V330 HydrophobicContact CG1-CG2 4.1Å; V67-V330 HydrophobicContact CG2-CG2 3.78Å; I69-V330 HydrophobicContact CD1-CG1 3.83Å; I69-V330 HydrophobicContact CG1-CG1 4.06Å; L92-V330 HydrophobicContact CD1-CG2 3.63Å; V316-V330 HydrophobicContact CG1-CB 3.86Å; V316-V330 HydrophobicContact CG1-CG1 4.12Å; V316-V330 HydrophobicContact CG2-CB 4.44Å; V316-V330 HydrophobicContact CG2-CG2 4.34Å; L320-V330 WeakPolarHBondContact CD1-O 3.45Å; V330-I341 HydrophobicContact CG2-CB 4.18Å; V330-I341 PolarHBondContact N-O 2.66Å; V330-I341 PolarHBondContact O-N 3.19Å; V330-V346 HydrophobicContact CG1-CG1 3.81Å; V330-V346 HydrophobicContact CG1-CG2 4.36Å
331S98Very high93.5Very high0 Ų064.5 Ų64.50%034%0.343CS..EExtended strand (participates in β ladder)trans-110.1136.6170.2-176.40000110.4V316 N317 R318 E338 V339 H340V316-S331 VanDerWaalsContact CA-O 3.3Å; V316-S331 WeakPolarHBondContact CA-O 3.41Å; V316-S331 WeakPolarHBondContact CG1-O 3.37Å; N317-S331 PolarHBondContact N-O 3.1Å; N317-S331 WeakPolarHBondContact OD1-CB 3.45Å; N317-S331 PolarHBondContact OD1-O 3.44Å; N317-S331 PolarHBondContact OD1-OG 3Å; N317-S331 VanDerWaalsContact OD1-OG 3.13Å; R318-S331 PolarHBondContact O-N 2.99Å; S331-E338 WeakPolarHBondContact CB-OE1 3.31Å; S331-E338 WeakPolarHBondContact OG-CG 3.41Å; S331-E338 PolarHBondContact OG-OE1 2.79Å; S331-V339 WeakPolarHBondContact CA-O 3.42Å; S331-H340 PolarHBondContact OG-CD2 2.98Å
332V96.9Very high93.5Very high0 Ų070.8 Ų70.80%037%0.37CS..EExtended strand (participates in β ladder)trans-116.5129.8178.8-179.20000109F55 L92 A314 V316 V339 I341F55-V332 HydrophobicContact CD1-CG1 3.91Å; F55-V332 HydrophobicContact CE1-CB 4.14Å; F55-V332 HydrophobicContact CE1-CG1 3.7Å; F55-V332 HydrophobicContact CE2-CG1 4.48Å; F55-V332 HydrophobicContact CE2-CG2 4.47Å; F55-V332 HydrophobicContact CG-CG1 4.4Å; F55-V332 HydrophobicContact CZ-CB 4.05Å; F55-V332 HydrophobicContact CZ-CG1 4.01Å; F55-V332 HydrophobicContact CZ-CG2 4.33Å; L92-V332 HydrophobicContact CD1-CG2 3.68Å; A314-V332 HydrophobicContact CB-CG1 3.88Å; V316-V332 HydrophobicContact CG2-CG2 4.2Å; V332-V339 PolarHBondContact N-O 3.45Å; V332-V339 PolarHBondContact O-N 3.43Å; V332-I341 HydrophobicContact CG2-CD1 3.7Å
333L85.8Confident93.5Very high74 Ų7468.2 Ų68.239%0.38736%0.357SS..EExtended strand (participates in β ladder)trans-88.8124176.5-165.574.1000110.4P315 N317P315-L333 PolarHBondContact O-N 3.21Å; P315-L333 VanDerWaalsContact O-N 3.17Å; N317-L333 HydrophobicContact CB-CB 4.48Å
334K80.3Confident93.6Very high93 Ų9363.1 Ų63.140%0.40433%0.334SS..EExtended strand (participates in β ladder)trans-124.392.8173.2-171.9176.81781790109.9F55 Q336 E337F55-K334 HydrophobicContact CD1-CD 4.46Å; K334-Q336 PolarHBondContact O-N 3.04Å; K334-E337 PolarHBondContact N-O 3.16Å; K334-E337 PolarHBondContact O-N 3.11Å; K334-E337 VanDerWaalsContact O-N 3.09Å
335G79.1Confident93.8Very high68 Ų6861.4 Ų61.470%0.70131%0.314SS*.THydrogen-bonded Turntrans67.1-116.4-17100000109.8
336Q76.9Confident93.9Very high198 Ų19855.2 Ų55.293%0.92529%0.287SS*.THydrogen-bonded Turntrans-97-10.1173.6-67.5-178.3-1700113K334K334-Q336 PolarHBondContact O-N 3.04Å
337E87.1Confident93.9Very high138 Ų13853.1 Ų53.165%0.64528%0.277SS*.EExtended strand (participates in β ladder)trans-84138.3-179.5-67.1-178.8175.700111K334K334-E337 PolarHBondContact N-O 3.16Å; K334-E337 PolarHBondContact O-N 3.11Å; K334-E337 VanDerWaalsContact O-N 3.09Å
338E92.1Very high94Very high72 Ų7253.1 Ų53.134%0.33628%0.277SS..EExtended strand (participates in β ladder)trans-109.3118.4176.4-171.3168.1-155.100109.8N317 R318 S331N317-E338 PolarHBondContact ND2-OE1 3.24Å; R318-E338 IonicContact CZ-OE1 2.8Å; R318-E338 IonicContact CZ-OE2 3.88Å; R318-E338 IonicContact NE-OE1 3.66Å; R318-E338 PolarHBondContact NE-OE1 3.29Å; R318-E338 IonicContact NH2-OE1 3.48Å; R318-E338 PolarHBondContact NH2-OE1 3.4Å; R318-E338 IonicContact NH2-OE2 3.82Å; R318-E338 PolarHBondContact NH2-OE2 3.42Å; S331-E338 WeakPolarHBondContact CB-OE1 3.31Å; S331-E338 WeakPolarHBondContact OG-CG 3.41Å; S331-E338 PolarHBondContact OG-OE1 2.79Å
339V95.9Very high94Very high30 Ų3052.4 Ų52.418%0.18227%0.271CS..EExtended strand (participates in β ladder)trans-107.7117.1-178.3-176.60000109.4F55 A57 S331 V332 I341F55-V339 HydrophobicContact CE1-CB 4.41Å; F55-V339 HydrophobicContact CE1-CG2 4.37Å; F55-V339 HydrophobicContact CZ-CB 4.23Å; F55-V339 HydrophobicContact CZ-CG1 4.11Å; A57-V339 HydrophobicContact CB-CG1 4.18Å; S331-V339 WeakPolarHBondContact CA-O 3.42Å; V332-V339 PolarHBondContact N-O 3.45Å; V332-V339 PolarHBondContact O-N 3.43Å; V339-I341 HydrophobicContact CG1-CG1 4.46Å
340H97.3Very high93.9Very high113 Ų11353.8 Ų53.852%0.52328%0.283SS..EExtended strand (participates in β ladder)trans-87.1126.1176.5-64.8175.3000111L320 S331L320-H340 HydrophobicContact CD1-CB 3.88Å; S331-H340 PolarHBondContact OG-CD2 2.98Å
341I98.3Very high93.8Very high7 Ų754.4 Ų54.44%0.03629%0.289CS..EExtended strand (participates in β ladder)trans-116116.2178.4-58.1169.7000108F55 V60 L64 L90 L92 G329 V330 V332 V339F55-I341 HydrophobicContact CE2-CD1 3.71Å; F55-I341 HydrophobicContact CZ-CD1 4.02Å; V60-I341 HydrophobicContact CG1-CG2 4Å; V60-I341 HydrophobicContact CG2-CD1 4.05Å; V60-I341 HydrophobicContact CG2-CG1 4.37Å; L64-I341 HydrophobicContact CD1-CG2 3.79Å; L90-I341 HydrophobicContact CD2-CD1 3.98Å; L90-I341 HydrophobicContact CD2-CG2 3.83Å; L92-I341 HydrophobicContact CD1-CD1 3.96Å; L92-I341 HydrophobicContact CD2-CD1 4.31Å; G329-I341 CarbonylContact C-O 3.58Å; G329-I341 WeakPolarHBondContact CA-O 3.42Å; V330-I341 HydrophobicContact CG2-CB 4.18Å; V330-I341 PolarHBondContact N-O 2.66Å; V330-I341 PolarHBondContact O-N 3.19Å; V332-I341 HydrophobicContact CG2-CD1 3.7Å; V339-I341 HydrophobicContact CG1-CG1 4.46Å
342K98.3Very high93.8Very high175 Ų17554.6 Ų54.676%0.76129%0.29SS*.EExtended strand (participates in β ladder)trans-87.6136.9179.6-66.4-174.8178.4-178.40110.9C328C328-K342 WeakPolarHBondContact O-CA 3.3Å
343A98.3Very high93.8Very high5 Ų555.1 Ų55.14%0.04129%0.292CS..  trans-154.8144.3171.400000109.4L64 V67 C328 M345L64-A343 HydrophobicContact CB-CB 4.18Å; V67-A343 HydrophobicContact CB-CB 4.05Å; V67-A343 HydrophobicContact CG1-CB 3.91Å; C328-A343 CarbonylContact C-O 3.53Å; C328-A343 WeakPolarHBondContact CA-O 3.39Å; C328-A343 PolarHBondContact O-N 2.73Å; C328-A343 VanDerWaalsContact O-O 3.05Å; A343-M345 PolarHBondContact O-N 3.41Å
344P97.9Very high94.4Very high69 Ų6952.6 Ų52.645%0.44828%0.279SS..SBendtrans-72.1-16.7-178.429.1-32.6000112.8L64 D65 N557L64-P344 WeakPolarHBondContact O-CD 3.49Å; D65-P344 VanDerWaalsContact O-CG 3.29Å; D65-P344 WeakPolarHBondContact O-CG 3.34Å; P344-N557 VanDerWaalsContact O-CB 3.28Å; P344-N557 WeakPolarHBondContact O-CB 3.3Å; P344-N557 VanDerWaalsContact O-CG 3.27Å; P344-N557 PolarHBondContact O-ND2 3.41Å
345M98.6Very high95.2Very high31 Ų3148.2 Ų48.215%0.15326%0.26CS..  trans-131136.1173.5-65.6-175.1-69.800110.8D65 A66 V67 A343 Y559 I584D65-M345 WeakPolarHBondContact O-CE 3.48Å; A66-M345 WeakPolarHBondContact CA-O 3.38Å; A66-M345 HydrophobicContact CB-CB 4.15Å; A66-M345 HydrophobicContact CB-CE 4.32Å; V67-M345 PolarHBondContact N-O 2.89Å; A343-M345 PolarHBondContact O-N 3.41Å; M345-Y559 HydrophobicContact CG-CE2 4.27Å; M345-Y559 HydrophobicContact SD-CE2 4.23Å; M345-I584 HydrophobicContact CE-CG2 4.07Å; M345-I584 HydrophobicContact SD-CG2 3.98Å
346V98.9Very high96.2Very high0 Ų045 Ų450%023%0.227CC..EExtended strand (participates in β ladder)trans-115.1127172.2-178.50000108.2V67 I69 I319 A327 G329 V330 N557 L558 Y559V67-V346 HydrophobicContact CG1-CB 4.32Å; V67-V346 HydrophobicContact CG1-CG1 4.27Å; V67-V346 HydrophobicContact CG1-CG2 3.88Å; I69-V346 HydrophobicContact CD1-CG1 3.92Å; I69-V346 HydrophobicContact CG1-CG1 4.43Å; I319-V346 HydrophobicContact CD1-CG1 4.47Å; I319-V346 HydrophobicContact CG1-CG1 4.19Å; I319-V346 HydrophobicContact CG2-CG1 4.19Å; I319-V346 HydrophobicContact CG2-CG2 4.37Å; A327-V346 HydrophobicContact CB-CB 4.18Å; A327-V346 HydrophobicContact CB-CG2 3.99Å; G329-V346 WeakPolarHBondContact O-CG2 3.4Å; V330-V346 HydrophobicContact CG1-CG1 3.81Å; V330-V346 HydrophobicContact CG1-CG2 4.36Å; V346-N557 PolarHBondContact N-O 3.4Å; V346-L558 HydrophobicContact CB-CD1 4.09Å; V346-L558 HydrophobicContact CG1-CD1 3.88Å; V346-L558 WeakPolarHBondContact O-CA 3.16Å; V346-Y559 PolarHBondContact O-N 3.45Å
347I98.9Very high97.1Very high0 Ų039.2 Ų39.20%020%0.2CC..EExtended strand (participates in β ladder)trans-123.6127.3-178.6-57.3157.5000108.1A66 V67 I68 I69 L78 L82 Y559 T561 I584A66-I347 HydrophobicContact CB-CD1 4.02Å; V67-I347 PolarHBondContact O-N 3.39Å; I68-I347 CarbonylContact C-O 3.06Å; I68-I347 VanDerWaalsContact CA-O 3.24Å; I68-I347 WeakPolarHBondContact CA-O 3.4Å; I68-I347 HydrophobicContact CD1-CD1 4.19Å; I68-I347 HydrophobicContact CG1-CB 4.12Å; I68-I347 HydrophobicContact CG1-CD1 4.08Å; I69-I347 PolarHBondContact N-O 3.37Å; L78-I347 HydrophobicContact CD2-CD1 4.13Å; L78-I347 HydrophobicContact CD2-CG2 3.66Å; L82-I347 HydrophobicContact CD1-CD1 4Å; I347-Y559 CarbonylContact C-O 3.54Å; I347-Y559 WeakPolarHBondContact CA-O 3.44Å; I347-Y559 HydrophobicContact CG1-CD2 4.39Å; I347-T561 HydrophobicContact CG2-CG2 3.96Å; I347-I584 HydrophobicContact CD1-CD1 3.68Å; I347-I584 HydrophobicContact CG1-CD1 4.13Å
348S98.8Very high97.6Very high0 Ų038.1 Ų38.10%019%0.193CC..EExtended strand (participates in β ladder)trans-105.8119.6178.9-171.10000111.5A350 T355 Y559 L560 T561S348-A350 PolarHBondContact OG-N 2.8Å; S348-T355 VanDerWaalsContact CB-OG1 3.24Å; S348-T355 WeakPolarHBondContact CB-OG1 3.27Å; S348-T355 PolarHBondContact OG-OG1 2.87Å; S348-Y559 PolarHBondContact N-O 3.01Å; S348-L560 WeakPolarHBondContact O-CA 3.32Å; S348-T561 PolarHBondContact O-N 3Å
349D98.6Very high97.9Very high27 Ų2735.3 Ų35.314%0.14418%0.18CC..  trans-99.77.3163.6-163.445.4000111I69 G72 G75 G351 T561 G562I69-D349 CarbonylContact O-C 3.52Å; I69-D349 WeakPolarHBondContact O-CA 3.29Å; I69-D349 WeakPolarHBondContact O-CB 3.36Å; I69-D349 PolarHBondContact O-N 2.9Å; G72-D349 VanDerWaalsContact C-OD2 3.27Å; G72-D349 WeakPolarHBondContact CA-OD2 3.44Å; G72-D349 PolarHBondContact N-OD2 2.89Å; G75-D349 PolarHBondContact N-OD1 2.89Å; G75-D349 PolarHBondContact N-OD2 3.03Å; D349-G351 PolarHBondContact O-N 2.89Å; D349-T561 HydrophobicContact CB-CG2 3.71Å; D349-G562 VanDerWaalsContact OD1-CA 3.22Å; D349-G562 WeakPolarHBondContact OD1-CA 3.37Å; D349-G562 PolarHBondContact OD1-N 2.67Å
350A97.3Very high98Very high30 Ų3034.2 Ų34.225%0.24817%0.173CC..SBendtrans-76-2.3179.800000113.5I69 S348 N354 L359I69-A350 HydrophobicContact CG2-CB 4.24Å; I69-A350 PolarHBondContact O-N 3.45Å; S348-A350 PolarHBondContact OG-N 2.8Å; A350-N354 HydrophobicContact CB-CB 4.05Å; A350-N354 WeakPolarHBondContact O-CB 3.37Å; A350-N354 PolarHBondContact O-ND2 3.03Å; A350-L359 HydrophobicContact CB-CD1 4.44Å
351G96.6Very high98Very high13 Ų1331 Ų3113%0.13416%0.162CC..  trans86.3161.6-175.500000113.6D349 F353 T355 D564D349-G351 PolarHBondContact O-N 2.89Å; G351-F353 PolarHBondContact O-N 3.25Å; G351-T355 WeakPolarHBondContact O-CB 3.33Å; G351-T355 PolarHBondContact O-N 2.74Å; G351-T355 PolarHBondContact O-OG1 3.31Å; G351-D564 WeakPolarHBondContact CA-OD2 3.31Å
352I97.5Very high97.9Very high3 Ų337.4 Ų37.42%0.01519%0.19CC..Hα-helixtrans-66.2-41.7-170.3-164.3168.8000112T355 Y356 Q373 V377 V534 I549 L560 D564I352-T355 PolarHBondContact O-N 3.19Å; I352-Y356 HydrophobicContact CD1-CD2 4.17Å; I352-Y356 HydrophobicContact CD1-CE2 3.79Å; I352-Y356 HydrophobicContact CG1-CD2 3.55Å; I352-Y356 HydrophobicContact CG1-CE2 3.53Å; I352-Y356 HydrophobicContact CG1-CG 4.31Å; I352-Y356 WeakPolarHBondContact O-CB 3.45Å; I352-Y356 PolarHBondContact O-N 3.36Å; I352-Q373 HydrophobicContact CD1-CB 4.34Å; I352-V377 HydrophobicContact CG2-CG2 4.06Å; I352-V534 HydrophobicContact CG2-CG2 3.41Å; I352-V534 VanDerWaalsContact CG2-CG2 3.41Å; I352-I549 HydrophobicContact CD1-CD1 4.09Å; I352-L560 HydrophobicContact CD1-CD1 4.38Å; I352-L560 HydrophobicContact CG1-CD1 4.13Å; I352-D564 PolarHBondContact N-OD2 3.38Å
353F97.8Very high97.8Very high11 Ų1135.8 Ų35.85%0.04819%0.185CC..Hα-helixtrans-64.2-51.1-179.9-63.3-69.5000111.6G351 T355 Y356 E357 L374 V377 H379 P527 V534G351-F353 PolarHBondContact O-N 3.25Å; F353-T355 VanDerWaalsContact C-N 3.29Å; F353-T355 PolarHBondContact O-N 2.94Å; F353-Y356 PolarHBondContact O-N 3.15Å; F353-E357 VanDerWaalsContact O-CB 3.22Å; F353-E357 WeakPolarHBondContact O-CB 3.33Å; F353-E357 WeakPolarHBondContact O-CG 3.5Å; F353-E357 PolarHBondContact O-N 2.86Å; F353-L374 HydrophobicContact CD1-CD2 4.15Å; F353-L374 HydrophobicContact CE1-CD2 4.43Å; F353-V377 HydrophobicContact CE1-CG2 3.76Å; F353-V377 HydrophobicContact CE2-CG2 4.44Å; F353-V377 HydrophobicContact CZ-CB 4.04Å; F353-V377 HydrophobicContact CZ-CG2 3.6Å; F353-H379 AromaticContact CD1-CE1 3.78Å; F353-H379 AromaticContact CD1-NE2 3.82Å; F353-H379 AromaticContact CD2-CE1 3.37Å; F353-H379 WeakPolarHBondContact CD2-CE1 3.38Å; F353-H379 AromaticContact CD2-ND1 3.51Å; F353-H379 AromaticContact CE2-CE1 3.8Å; F353-H379 AromaticContact CE2-CG 3.99Å; F353-H379 AromaticContact CE2-ND1 3.64Å; F353-H379 AromaticContact CG-CE1 3.37Å; F353-H379 WeakPolarHBondContact CG-CE1 3.47Å; F353-H379 AromaticContact CG-NE2 3.89Å; F353-P527 HydrophobicContact CB-CG 4.28Å; F353-V534 HydrophobicContact CD2-CG2 4.3Å; F353-V534 HydrophobicContact CE2-CG2 3.67Å; F353-V534 HydrophobicContact CZ-CG2 4.32Å
354N97.8Very high97.8Very high22 Ų2235.9 Ų35.912%0.11819%0.185CC..Iπ-helixtrans-60.4-43.2177.5-72.6-43.7000111.3A350 K358 L359 G525 P527A350-N354 HydrophobicContact CB-CB 4.05Å; A350-N354 WeakPolarHBondContact O-CB 3.37Å; A350-N354 PolarHBondContact O-ND2 3.03Å; N354-K358 WeakPolarHBondContact O-CB 3.17Å; N354-K358 PolarHBondContact O-N 3.26Å; N354-K358 WeakPolarHBondContact OD1-CD 3.45Å; N354-K358 WeakPolarHBondContact OD1-CE 3.48Å; N354-K358 PolarHBondContact OD1-NZ 3.41Å; N354-L359 WeakPolarHBondContact O-CG 3.14Å; N354-L359 PolarHBondContact O-N 2.95Å; N354-G525 PolarHBondContact ND2-O 2.86Å; N354-P527 WeakPolarHBondContact OD1-CG 3.27Å
355T98.4Very high97.7Very high0 Ų033.8 Ų33.80%017%0.169CC..Iπ-helixtrans-61.1-56-179.8-510000110.7I319 S348 G351 I352 F353 L359 L360 L558 L560I319-T355 HydrophobicContact CD1-CG2 4.11Å; S348-T355 VanDerWaalsContact CB-OG1 3.24Å; S348-T355 WeakPolarHBondContact CB-OG1 3.27Å; S348-T355 PolarHBondContact OG-OG1 2.87Å; G351-T355 WeakPolarHBondContact O-CB 3.33Å; G351-T355 PolarHBondContact O-N 2.74Å; G351-T355 PolarHBondContact O-OG1 3.31Å; I352-T355 PolarHBondContact O-N 3.19Å; F353-T355 VanDerWaalsContact C-N 3.29Å; F353-T355 PolarHBondContact O-N 2.94Å; T355-L359 PolarHBondContact O-N 3.48Å; T355-L360 WeakPolarHBondContact O-CG 3.46Å; T355-L360 PolarHBondContact O-N 2.89Å; T355-L558 HydrophobicContact CG2-CD2 4.36Å; T355-L560 HydrophobicContact CG2-CD2 3.87Å
356Y98.4Very high97.7Very high0 Ų035.6 Ų35.60%019%0.189CC..Iπ-helixtrans-82.1-34.6-169.7-66.3-11000114I352 F353 L360 Q365 I370 Q373 L374 T553 L560I352-Y356 HydrophobicContact CD1-CD2 4.17Å; I352-Y356 HydrophobicContact CD1-CE2 3.79Å; I352-Y356 HydrophobicContact CG1-CD2 3.55Å; I352-Y356 HydrophobicContact CG1-CE2 3.53Å; I352-Y356 HydrophobicContact CG1-CG 4.31Å; I352-Y356 WeakPolarHBondContact O-CB 3.45Å; I352-Y356 PolarHBondContact O-N 3.36Å; F353-Y356 PolarHBondContact O-N 3.15Å; Y356-L360 HydrophobicContact CD1-CD1 3.84Å; Y356-L360 HydrophobicContact CG-CD1 4.44Å; Y356-Q365 VanDerWaalsContact O-CG 3.23Å; Y356-Q365 WeakPolarHBondContact O-CG 3.47Å; Y356-I370 HydrophobicContact CD1-CD1 4.01Å; Y356-I370 HydrophobicContact CD1-CG2 4.49Å; Y356-I370 HydrophobicContact CD2-CD1 4.24Å; Y356-I370 HydrophobicContact CD2-CG2 3.79Å; Y356-I370 HydrophobicContact CE1-CD1 3.69Å; Y356-I370 HydrophobicContact CE2-CD1 3.91Å; Y356-I370 HydrophobicContact CE2-CG2 4.36Å; Y356-I370 HydrophobicContact CG-CD1 4.27Å; Y356-I370 HydrophobicContact CG-CG2 3.84Å; Y356-Q373 HydrophobicContact CE2-CB 4.08Å; Y356-Q373 VanDerWaalsContact CZ-OE1 3.29Å; Y356-Q373 PolarHBondContact OH-OE1 3.31Å; Y356-L374 HydrophobicContact CD2-CD2 4.07Å; Y356-L374 HydrophobicContact CD2-CG 4.05Å; Y356-T553 HydrophobicContact CE1-CG2 4Å; Y356-T553 WeakPolarHBondContact OH-CB 3.5Å; Y356-T553 VanDerWaalsContact OH-CG2 3.3Å; Y356-T553 WeakPolarHBondContact OH-CG2 3.4Å; Y356-L560 HydrophobicContact CE1-CD1 4.47Å
357E97.4Very high97.6Very high78 Ų7837.8 Ų37.836%0.36420%0.2SC..Iπ-helixtrans-93.6-24.1-173.9-55.8179.4155.300112.6F353 Q365 L374F353-E357 VanDerWaalsContact O-CB 3.22Å; F353-E357 WeakPolarHBondContact O-CB 3.33Å; F353-E357 WeakPolarHBondContact O-CG 3.5Å; F353-E357 PolarHBondContact O-N 2.86Å; E357-Q365 PolarHBondContact O-NE2 3.46Å; E357-Q365 PolarHBondContact O-OE1 3.39Å; E357-L374 HydrophobicContact CG-CD1 4.17Å; E357-L374 HydrophobicContact CG-CD2 4.18Å
358K96.5Very high97.5Very high114 Ų11442.5 Ų42.550%0.49623%0.231SC..Iπ-helixtrans-114.5-48.6-175.8-54.2-178.7-175.11660113.6N354N354-K358 WeakPolarHBondContact O-CB 3.17Å; N354-K358 PolarHBondContact O-N 3.26Å; N354-K358 WeakPolarHBondContact OD1-CD 3.45Å; N354-K358 WeakPolarHBondContact OD1-CE 3.48Å; N354-K358 PolarHBondContact OD1-NZ 3.41Å
359L98.2Very high97.4Very high14 Ų1447.3 Ų47.37%0.07325%0.253CS..Iπ-helixtrans-85-19.8-170-60.7178.6000113.9I69 V316 R318 I319 A350 N354 T355I69-L359 HydrophobicContact CD1-CD1 3.99Å; I69-L359 HydrophobicContact CG2-CD1 4.09Å; V316-L359 HydrophobicContact CG1-CD2 4.26Å; V316-L359 VanDerWaalsContact O-CD2 3.28Å; V316-L359 WeakPolarHBondContact O-CD2 3.44Å; R318-L359 WeakPolarHBondContact CA-O 3.48Å; I319-L359 HydrophobicContact CD1-CB 3.89Å; I319-L359 HydrophobicContact CG1-CB 4.07Å; I319-L359 PolarHBondContact N-O 3.46Å; A350-L359 HydrophobicContact CB-CD1 4.44Å; N354-L359 WeakPolarHBondContact O-CG 3.14Å; N354-L359 PolarHBondContact O-N 2.95Å; T355-L359 PolarHBondContact O-N 3.48Å
360L98.4Very high97.4Very high6 Ų646 Ų463%0.03125%0.246CC..SBendtrans-82.6144.4174.7-69.6-172.8000112.5I319 F321 T355 Y356 Q365 I370 L555 L558I319-L360 HydrophobicContact CD1-CD2 4.13Å; F321-L360 HydrophobicContact CE2-CD2 3.78Å; F321-L360 HydrophobicContact CZ-CD2 3.5Å; F321-L360 VanDerWaalsContact CZ-CD2 3.5Å; T355-L360 WeakPolarHBondContact O-CG 3.46Å; T355-L360 PolarHBondContact O-N 2.89Å; Y356-L360 HydrophobicContact CD1-CD1 3.84Å; Y356-L360 HydrophobicContact CG-CD1 4.44Å; L360-Q365 HydrophobicContact CB-CG 3.92Å; L360-Q365 PolarHBondContact O-NE2 3.22Å; L360-I370 HydrophobicContact CD1-CD1 4.34Å; L360-L555 HydrophobicContact CD1-CD1 3.74Å; L360-L555 HydrophobicContact CD2-CD1 3.59Å; L360-L555 HydrophobicContact CG-CD1 4.34Å; L360-L558 HydrophobicContact CD2-CD2 3.83Å
361P96.3Very high97.4Very high45 Ų4549 Ų4929%0.29226%0.255SS..  trans-57.1145.7164.5-22.232.2000112.2F321 E363 L364 Q365F321-P361 HydrophobicContact CD2-CG 3.94Å; F321-P361 HydrophobicContact CE2-CG 4.2Å; P361-E363 WeakPolarHBondContact CB-OE2 3.42Å; P361-E363 PolarHBondContact O-N 2.85Å; P361-E363 VanDerWaalsContact O-N 3.12Å; P361-L364 HydrophobicContact CG-CD1 4.34Å; P361-L364 PolarHBondContact O-N 3.24Å; P361-Q365 WeakPolarHBondContact O-CG 3.41Å; P361-Q365 PolarHBondContact O-N 3.42Å
362K96.3Very high97.4Very high143 Ų14354.2 Ų54.262%0.62227%0.274SS*.Hα-helixtrans-55.2-35.8-172.4-73.6-72.1166.3-160.80113.4L364 Q365 A366K362-L364 VanDerWaalsContact C-N 3.33Å; K362-L364 PolarHBondContact O-N 2.99Å; K362-Q365 WeakPolarHBondContact O-CB 3.3Å; K362-Q365 PolarHBondContact O-N 2.75Å; K362-A366 PolarHBondContact O-N 3.26Å
363E96.6Very high97.3Very high140 Ų14054.7 Ų54.765%0.65428%0.276SS*.Hα-helixtrans-65.8-36.9178.8-53.774-157.900111.7P361P361-E363 WeakPolarHBondContact CB-OE2 3.42Å; P361-E363 PolarHBondContact O-N 2.85Å; P361-E363 VanDerWaalsContact O-N 3.12Å
364L97.7Very high97.3Very high8 Ų855.1 Ų55.14%0.04228%0.279CS..Hα-helixtrans-80.5-28.8177.7-58.5-173.5000112F321 K325 P361 K362 A366 M367 L555F321-L364 HydrophobicContact CD1-CD1 3.71Å; F321-L364 HydrophobicContact CD2-CD1 3.67Å; F321-L364 HydrophobicContact CE1-CD1 3.7Å; F321-L364 HydrophobicContact CE2-CD1 3.64Å; F321-L364 HydrophobicContact CG-CD1 3.72Å; F321-L364 HydrophobicContact CZ-CD1 3.67Å; K325-L364 HydrophobicContact CB-CD2 4.38Å; K325-L364 HydrophobicContact CD-CD2 3.92Å; K325-L364 HydrophobicContact CG-CD2 4.3Å; P361-L364 HydrophobicContact CG-CD1 4.34Å; P361-L364 PolarHBondContact O-N 3.24Å; K362-L364 VanDerWaalsContact C-N 3.33Å; K362-L364 PolarHBondContact O-N 2.99Å; L364-A366 PolarHBondContact O-N 3.32Å; L364-M367 HydrophobicContact CB-SD 4.46Å; L364-M367 HydrophobicContact CD2-SD 4Å; L364-M367 WeakPolarHBondContact O-CB 3.42Å; L364-M367 WeakPolarHBondContact O-CG 3.33Å; L364-M367 PolarHBondContact O-N 2.72Å; L364-L555 HydrophobicContact CB-CD1 4.34Å; L364-L555 HydrophobicContact CD1-CD1 4.15Å; L364-L555 HydrophobicContact CD1-CD2 4.02Å; L364-L555 HydrophobicContact CD2-CD2 4.16Å; L364-L555 HydrophobicContact CG-CD2 4.49Å
365Q97.6Very high97.2Very high24 Ų2458.7 Ų58.711%0.11231%0.305CS..Hα-helixtrans-57.7-39.1171.6-53.6-168.7-6.100110.8Y356 E357 L360 P361 K362 M367 Q371Y356-Q365 VanDerWaalsContact O-CG 3.23Å; Y356-Q365 WeakPolarHBondContact O-CG 3.47Å; E357-Q365 PolarHBondContact O-NE2 3.46Å; E357-Q365 PolarHBondContact O-OE1 3.39Å; L360-Q365 HydrophobicContact CB-CG 3.92Å; L360-Q365 PolarHBondContact O-NE2 3.22Å; P361-Q365 WeakPolarHBondContact O-CG 3.41Å; P361-Q365 PolarHBondContact O-N 3.42Å; K362-Q365 WeakPolarHBondContact O-CB 3.3Å; K362-Q365 PolarHBondContact O-N 2.75Å; Q365-M367 PolarHBondContact O-N 2.8Å; Q365-Q371 PolarHBondContact O-NE2 2.7Å
366A97.4Very high97.1Very high70 Ų7062.1 Ų62.158%0.57932%0.323SS*.THydrogen-bonded Turntrans-74.3-2.8-176.700000114.9K362 L364K362-A366 PolarHBondContact O-N 3.26Å; L364-A366 PolarHBondContact O-N 3.32Å
367M97.6Very high96.9Very high45 Ų4563 Ų6322%0.22233%0.328CS..  trans-60.1132.7179.6-73.8177.763.200111.6L364 Q365 E369 I370 Q371 P554 L555L364-M367 HydrophobicContact CB-SD 4.46Å; L364-M367 HydrophobicContact CD2-SD 4Å; L364-M367 WeakPolarHBondContact O-CB 3.42Å; L364-M367 WeakPolarHBondContact O-CG 3.33Å; L364-M367 PolarHBondContact O-N 2.72Å; Q365-M367 PolarHBondContact O-N 2.8Å; M367-E369 PolarHBondContact O-N 3.22Å; M367-E369 VanDerWaalsContact O-N 3.16Å; M367-I370 HydrophobicContact CB-CB 4.23Å; M367-I370 HydrophobicContact CB-CG1 3.96Å; M367-I370 WeakPolarHBondContact O-CB 3.49Å; M367-I370 PolarHBondContact O-N 2.62Å; M367-Q371 PolarHBondContact O-N 2.96Å; M367-P554 HydrophobicContact CE-CB 4.32Å; M367-L555 HydrophobicContact CE-CD2 4.2Å; M367-L555 HydrophobicContact SD-CD2 3.6Å; M367-L555 HydrophobicContact SD-CG 4.39Å
368P97.5Very high96.8Very high100 Ų10064.7 Ų64.765%0.64934%0.335SS*.Hα-helixtrans-55-36.5-178.5-2835.5000114K372P368-K372 WeakPolarHBondContact O-CB 3.35Å; P368-K372 PolarHBondContact O-N 3.45Å
369E96.1Very high96.8Very high101 Ų10161.7 Ų61.747%0.47232%0.323SS..Hα-helixtrans-69.4-36.7179.3-60.289.7156.800112.3M367 Q373 P554M367-E369 PolarHBondContact O-N 3.22Å; M367-E369 VanDerWaalsContact O-N 3.16Å; E369-Q373 WeakPolarHBondContact O-CG 3.25Å; E369-Q373 PolarHBondContact O-N 3.05Å; E369-Q373 VanDerWaalsContact O-N 3.15Å; E369-P554 HydrophobicContact CB-CB 3.74Å; E369-P554 HydrophobicContact CB-CG 3.45Å; E369-P554 VanDerWaalsContact CB-CG 3.45Å; E369-P554 HydrophobicContact CG-CB 4.46Å
370I97.8Very high96.6Very high0 Ų061.5 Ų61.50%032%0.324CS..Hα-helixtrans-68.5-48.5174.5-64.9-67.4000109.6Y356 L360 M367 K372 Q373 L374 P554Y356-I370 HydrophobicContact CD1-CD1 4.01Å; Y356-I370 HydrophobicContact CD1-CG2 4.49Å; Y356-I370 HydrophobicContact CD2-CD1 4.24Å; Y356-I370 HydrophobicContact CD2-CG2 3.79Å; Y356-I370 HydrophobicContact CE1-CD1 3.69Å; Y356-I370 HydrophobicContact CE2-CD1 3.91Å; Y356-I370 HydrophobicContact CE2-CG2 4.36Å; Y356-I370 HydrophobicContact CG-CD1 4.27Å; Y356-I370 HydrophobicContact CG-CG2 3.84Å; L360-I370 HydrophobicContact CD1-CD1 4.34Å; M367-I370 HydrophobicContact CB-CB 4.23Å; M367-I370 HydrophobicContact CB-CG1 3.96Å; M367-I370 WeakPolarHBondContact O-CB 3.49Å; M367-I370 PolarHBondContact O-N 2.62Å; I370-K372 VanDerWaalsContact C-N 3.27Å; I370-K372 PolarHBondContact O-N 3.13Å; I370-Q373 PolarHBondContact O-N 3.36Å; I370-L374 HydrophobicContact CG2-CD1 4.11Å; I370-L374 PolarHBondContact O-N 3.09Å; I370-P554 HydrophobicContact CD1-CB 4.39Å; I370-P554 HydrophobicContact CD1-CG 3.88Å; I370-P554 HydrophobicContact CG1-CG 4.33Å
371Q97.8Very high96.3Very high92 Ų9264.4 Ų64.443%0.4334%0.337SS..Hα-helixtrans-61.3-36.7177.5-68.1-58.5-48.200112.2Q365 M367 L374 S375Q365-Q371 PolarHBondContact O-NE2 2.7Å; M367-Q371 PolarHBondContact O-N 2.96Å; Q371-L374 PolarHBondContact O-N 3.46Å; Q371-S375 WeakPolarHBondContact O-CB 3.47Å; Q371-S375 PolarHBondContact O-N 2.9Å; Q371-S375 PolarHBondContact O-OG 2.97Å
372K95.9Very high96.3Very high122 Ų12262.4 Ų62.453%0.5333%0.325SS..Hα-helixtrans-63.4-38.9172.9-179-179.9179.3179.10112.4P368 I370 S375 L376P368-K372 WeakPolarHBondContact O-CB 3.35Å; P368-K372 PolarHBondContact O-N 3.45Å; I370-K372 VanDerWaalsContact C-N 3.27Å; I370-K372 PolarHBondContact O-N 3.13Å; K372-S375 PolarHBondContact O-OG 2.84Å; K372-S375 VanDerWaalsContact O-OG 3.08Å; K372-L376 WeakPolarHBondContact O-CG 3.43Å
373Q96.9Very high96.1Very high14 Ų1455.6 Ų55.67%0.06530%0.295CS..Hα-helixtrans-70.3-40.7176.4-73.2-177.5-26.900111.2I352 Y356 E369 I370 L376 T548 I549I352-Q373 HydrophobicContact CD1-CB 4.34Å; Y356-Q373 HydrophobicContact CE2-CB 4.08Å; Y356-Q373 VanDerWaalsContact CZ-OE1 3.29Å; Y356-Q373 PolarHBondContact OH-OE1 3.31Å; E369-Q373 WeakPolarHBondContact O-CG 3.25Å; E369-Q373 PolarHBondContact O-N 3.05Å; E369-Q373 VanDerWaalsContact O-N 3.15Å; I370-Q373 PolarHBondContact O-N 3.36Å; Q373-L376 PolarHBondContact O-N 2.89Å; Q373-T548 HydrophobicContact CG-CG2 4.08Å; Q373-T548 PolarHBondContact NE2-O 3.4Å; Q373-I549 HydrophobicContact CB-CD1 3.85Å; Q373-I549 HydrophobicContact CG-CD1 3.92Å
374L97Very high96.1Very high19 Ų1949 Ų4910%0.09926%0.264CS..Hα-helixtrans-63-39.2176.3-72.7171.5000112.6F353 Y356 E357 I370 Q371 L376 V377F353-L374 HydrophobicContact CD1-CD2 4.15Å; F353-L374 HydrophobicContact CE1-CD2 4.43Å; Y356-L374 HydrophobicContact CD2-CD2 4.07Å; Y356-L374 HydrophobicContact CD2-CG 4.05Å; E357-L374 HydrophobicContact CG-CD1 4.17Å; E357-L374 HydrophobicContact CG-CD2 4.18Å; I370-L374 HydrophobicContact CG2-CD1 4.11Å; I370-L374 PolarHBondContact O-N 3.09Å; Q371-L374 PolarHBondContact O-N 3.46Å; L374-L376 PolarHBondContact O-N 3.43Å; L374-V377 VanDerWaalsContact O-CG2 3.25Å; L374-V377 WeakPolarHBondContact O-CG2 2.98Å; L374-V377 PolarHBondContact O-N 2.75Å; L374-V377 VanDerWaalsContact O-O 3.11Å
375S95.9Very high96.1Very high97 Ų9749.2 Ų49.268%0.67827%0.266SS*.THydrogen-bonded Turntrans-68.9-14.9179.670.90000114.4Q371 K372Q371-S375 WeakPolarHBondContact O-CB 3.47Å; Q371-S375 PolarHBondContact O-N 2.9Å; Q371-S375 PolarHBondContact O-OG 2.97Å; K372-S375 PolarHBondContact O-OG 2.84Å; K372-S375 VanDerWaalsContact O-OG 3.08Å
376L95.4Very high96.1Very high72 Ų7248.2 Ų48.238%0.37726%0.261SS..THydrogen-bonded Turntrans-88.1-12.1176.5-67.5174.5000113.4K372 Q373 L374 F545 T548K372-L376 WeakPolarHBondContact O-CG 3.43Å; Q373-L376 PolarHBondContact O-N 2.89Å; L374-L376 PolarHBondContact O-N 3.43Å; L376-F545 HydrophobicContact CB-CD2 4.12Å; L376-F545 HydrophobicContact CB-CE2 4.28Å; L376-F545 WeakPolarHBondContact O-CE2 3.45Å; L376-T548 HydrophobicContact CD1-CG2 3.55Å
377V95.5Very high96.1Very high18 Ų1845.7 Ų45.711%0.10924%0.237CC..  trans-118.4150-173.6-63.40000110.8I352 F353 L374 V534 F545 I549I352-V377 HydrophobicContact CG2-CG2 4.06Å; F353-V377 HydrophobicContact CE1-CG2 3.76Å; F353-V377 HydrophobicContact CE2-CG2 4.44Å; F353-V377 HydrophobicContact CZ-CB 4.04Å; F353-V377 HydrophobicContact CZ-CG2 3.6Å; L374-V377 VanDerWaalsContact O-CG2 3.25Å; L374-V377 WeakPolarHBondContact O-CG2 2.98Å; L374-V377 PolarHBondContact O-N 2.75Å; L374-V377 VanDerWaalsContact O-O 3.11Å; V377-V534 HydrophobicContact CB-CG1 3.71Å; V377-V534 HydrophobicContact CB-CG2 3.98Å; V377-V534 HydrophobicContact CG1-CG1 3.64Å; V377-V534 HydrophobicContact CG1-CG2 4.07Å; V377-V534 HydrophobicContact CG2-CG2 4.49Å; V377-F545 HydrophobicContact CG1-CE2 3.74Å; V377-F545 HydrophobicContact CG1-CZ 3.95Å; V377-I549 HydrophobicContact CG1-CD1 4.41Å
378K95.6Very high96.2Very high115 Ų11543.7 Ų43.750%0.523%0.227SC..  trans-131.9156.4168.366.7-178.9-175.3172.50108.8D535K378-D535 HydrophobicContact CD-CB 4.2Å; K378-D535 VanDerWaalsContact CE-OD1 3.3Å; K378-D535 WeakPolarHBondContact CE-OD1 3.3Å; K378-D535 WeakPolarHBondContact CE-OD2 3.49Å; K378-D535 HydrophobicContact CG-CB 3.47Å; K378-D535 VanDerWaalsContact CG-CB 3.47Å; K378-D535 IonicContact NZ-OD1 2.88Å; K378-D535 IonicContact NZ-OD2 2.72Å; K378-D535 WeakPolarHBondContact O-CB 3.46Å; K378-D535 PolarHBondContact O-N 3.21Å
379H95.6Very high96.2Very high51 Ų5139 Ų3924%0.23620%0.196CC..BIsolated β-bridgetrans-60.7139.8172.6-68-79.9000110F353 K528 E530F353-H379 AromaticContact CD1-CE1 3.78Å; F353-H379 AromaticContact CD1-NE2 3.82Å; F353-H379 AromaticContact CD2-CE1 3.37Å; F353-H379 WeakPolarHBondContact CD2-CE1 3.38Å; F353-H379 AromaticContact CD2-ND1 3.51Å; F353-H379 AromaticContact CE2-CE1 3.8Å; F353-H379 AromaticContact CE2-CG 3.99Å; F353-H379 AromaticContact CE2-ND1 3.64Å; F353-H379 AromaticContact CG-CE1 3.37Å; F353-H379 WeakPolarHBondContact CG-CE1 3.47Å; F353-H379 AromaticContact CG-NE2 3.89Å; H379-K528 HydrophobicContact CB-CB 4.08Å; H379-K528 HydrophobicContact CB-CG 4.01Å; H379-E530 IonicContact CE1-OE1 3.01Å; H379-E530 IonicContact CG-OE1 2.75Å; H379-E530 IonicContact ND1-OE1 3.54Å; H379-E530 PolarHBondContact ND1-OE1 2.82Å
380G94.3Very high96.3Very high10 Ų1034.1 Ų34.110%0.10317%0.174CC..  trans-71.3176167.800000112.2E530 G533G380-E530 WeakPolarHBondContact O-CB 3.24Å; G380-G533 WeakPolarHBondContact CA-O 3.46Å; G380-G533 PolarHBondContact N-O 3.39Å
381E92.4Very high96.3Very high66 Ų6638.5 Ų38.531%0.30820%0.197SC..  trans-71.7142.1-179.7-66.4-62162.800112.7G263 F461 E530 M531G263-E381 WeakPolarHBondContact O-CG 3.46Å; E381-F461 HydrophobicContact CB-CD1 3.76Å; E381-F461 HydrophobicContact CB-CE1 4Å; E381-E530 VanDerWaalsContact O-CA 3.31Å; E381-E530 WeakPolarHBondContact O-CA 3.43Å; E381-M531 PolarHBondContact O-N 3.1Å
382G94.8Very high96.3Very high3 Ų334.2 Ų34.23%0.03118%0.178CC..BIsolated β-bridgetrans-70.815217600000112.6F461 A462 G529G382-F461 WeakPolarHBondContact O-CA 3.3Å; G382-A462 CarbonylContact C-O 3.51Å; G382-A462 VanDerWaalsContact C-O 3.27Å; G382-A462 VanDerWaalsContact CA-O 3.27Å; G382-A462 WeakPolarHBondContact CA-O 3.44Å; G382-A462 PolarHBondContact O-N 3.36Å; G382-G529 WeakPolarHBondContact CA-O 3.34Å
383G93.8Very high96.3Very high0 Ų029.6 Ų29.60%016%0.16CC..EExtended strand (participates in β ladder)trans-108.4146.7179.900000114T516 P517 G529G383-T516 CarbonylContact O-C 3.28Å; G383-P517 VanDerWaalsContact O-CD 3.32Å; G383-P517 WeakPolarHBondContact O-CD 3.23Å; G383-G529 PolarHBondContact N-O 2.83Å
384L95.9Very high96.3Very high2 Ų232.3 Ų32.31%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-110.7122.8161.6179.373.9000107.9I386 I431 V459 S460 A462 F489 A514 G515 T516L384-I386 HydrophobicContact CD2-CD1 4.26Å; L384-I386 HydrophobicContact CD2-CG1 4.47Å; L384-I386 HydrophobicContact CG-CG1 4.33Å; L384-I431 HydrophobicContact CD2-CD1 4.47Å; L384-V459 WeakPolarHBondContact O-CA 3.47Å; L384-S460 PolarHBondContact N-O 2.98Å; L384-S460 PolarHBondContact O-N 2.65Å; L384-A462 HydrophobicContact CB-CB 3.98Å; L384-F489 HydrophobicContact CD2-CB 4.01Å; L384-F489 HydrophobicContact CD2-CD1 3.61Å; L384-F489 HydrophobicContact CD2-CE1 4.35Å; L384-F489 HydrophobicContact CD2-CG 4.02Å; L384-A514 HydrophobicContact CD1-CB 4.21Å; L384-G515 WeakPolarHBondContact CA-O 3.23Å; L384-T516 HydrophobicContact CD1-CG2 4.27Å
385N96.7Very high96.2Very high12 Ų1237.2 Ų37.26%0.06419%0.192CC..EExtended strand (participates in β ladder)trans-119.2122.5177.4-64.4-74.8000109.2F387 V458 V459 A514 G515N385-F387 HydrophobicContact CB-CE2 3.94Å; N385-F387 HydrophobicContact CB-CZ 3.77Å; N385-V458 CarbonylContact C-O 3.17Å; N385-V458 WeakPolarHBondContact CA-O 3.27Å; N385-V459 WeakPolarHBondContact OD1-CG2 3.37Å; N385-A514 CarbonylContact O-C 3.43Å; N385-A514 WeakPolarHBondContact O-CA 3.33Å; N385-G515 PolarHBondContact N-O 3.01Å; N385-G515 PolarHBondContact O-N 3.24Å
386I98.1Very high96.3Very high4 Ų438.2 Ų38.22%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-113130.1177-49.3168.1000108.2L384 I388 T457 V458 I490 A493 I512 D513 A514L384-I386 HydrophobicContact CD2-CD1 4.26Å; L384-I386 HydrophobicContact CD2-CG1 4.47Å; L384-I386 HydrophobicContact CG-CG1 4.33Å; I386-I388 HydrophobicContact CG2-CG1 4.22Å; I386-T457 WeakPolarHBondContact O-CA 3.28Å; I386-V458 HydrophobicContact CB-CB 4.13Å; I386-V458 PolarHBondContact N-O 2.78Å; I386-V458 PolarHBondContact O-N 3.01Å; I386-I490 HydrophobicContact CG2-CG1 4.28Å; I386-A493 HydrophobicContact CD1-CB 3.34Å; I386-I512 HydrophobicContact CG2-CD1 4.25Å; I386-I512 HydrophobicContact CG2-CG1 3.97Å; I386-D513 WeakPolarHBondContact CA-O 3.29Å; I386-A514 HydrophobicContact CB-CB 4.49Å; I386-A514 HydrophobicContact CG1-CB 3.87Å
387F98.2Very high96.4Very high17 Ų1735 Ų358%0.07517%0.169CC..EExtended strand (participates in β ladder)trans-113.5122.4-177.4-55.7-77.2000108.9F105 F112 D113 N385 T457 Y511 I512 D513F105-F387 AromaticContact CE1-CD1 3.99Å; F105-F387 HydrophobicContact CE1-CD1 3.99Å; F105-F387 HydrophobicContact CE1-CD2 4.07Å; F105-F387 AromaticContact CE1-CE1 3.84Å; F105-F387 HydrophobicContact CE1-CE1 3.84Å; F105-F387 AromaticContact CE1-CE2 3.92Å; F105-F387 HydrophobicContact CE1-CE2 3.92Å; F105-F387 HydrophobicContact CE1-CG 4.09Å; F105-F387 AromaticContact CE1-CZ 3.8Å; F105-F387 HydrophobicContact CE1-CZ 3.8Å; F105-F387 HydrophobicContact CZ-CB 4.2Å; F105-F387 HydrophobicContact CZ-CD1 4.01Å; F105-F387 AromaticContact CZ-CD2 3.68Å; F105-F387 HydrophobicContact CZ-CD2 3.68Å; F105-F387 HydrophobicContact CZ-CE1 4.29Å; F105-F387 AromaticContact CZ-CE2 3.98Å; F105-F387 HydrophobicContact CZ-CE2 3.98Å; F105-F387 AromaticContact CZ-CG 3.68Å; F105-F387 HydrophobicContact CZ-CG 3.68Å; F105-F387 HydrophobicContact CZ-CZ 4.27Å; F112-F387 HydrophobicContact CB-CD1 3.71Å; F112-F387 HydrophobicContact CB-CE1 4.19Å; F112-F387 HydrophobicContact CB-CG 4.43Å; F112-F387 HydrophobicContact CD1-CB 3.85Å; F112-F387 AromaticContact CD1-CD1 3.91Å; F112-F387 HydrophobicContact CD1-CD1 3.91Å; F112-F387 HydrophobicContact CD1-CG 4.32Å; F112-F387 HydrophobicContact CD2-CB 4.19Å; F112-F387 HydrophobicContact CE1-CB 3.89Å; F112-F387 HydrophobicContact CE2-CB 4.23Å; F112-F387 HydrophobicContact CG-CB 4.01Å; F112-F387 AromaticContact CG-CD1 3.86Å; F112-F387 HydrophobicContact CG-CD1 3.86Å; F112-F387 HydrophobicContact CG-CG 4.23Å; F112-F387 HydrophobicContact CZ-CB 4.09Å; D113-F387 WeakPolarHBondContact O-CE1 3.46Å; N385-F387 HydrophobicContact CB-CE2 3.94Å; N385-F387 HydrophobicContact CB-CZ 3.77Å; F387-T457 HydrophobicContact CD1-CG2 4.18Å; F387-T457 HydrophobicContact CE1-CG2 4.03Å; F387-Y511 HydrophobicContact CB-CE1 4.24Å; F387-I512 WeakPolarHBondContact O-CA 3.45Å; F387-D513 PolarHBondContact N-O 2.93Å; F387-D513 PolarHBondContact O-N 3.3Å; F387-D513 VanDerWaalsContact O-N 3.17Å
388I98.6Very high96.4Very high3 Ų335.8 Ų35.82%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-121.1118.2-175.6-44.6176.6000108.9F112 I386 L390 T455 L456 V458 L494 I509 Y511 I512F112-I388 WeakPolarHBondContact CE1-O 3.38Å; I386-I388 HydrophobicContact CG2-CG1 4.22Å; I388-L390 HydrophobicContact CG2-CD2 3.71Å; I388-L390 HydrophobicContact CG2-CG 4.16Å; I388-T455 WeakPolarHBondContact O-CA 3.4Å; I388-L456 HydrophobicContact CB-CB 4.16Å; I388-L456 HydrophobicContact CD1-CB 4.44Å; I388-L456 PolarHBondContact N-O 2.82Å; I388-L456 PolarHBondContact O-N 3.37Å; I388-V458 HydrophobicContact CD1-CG2 4Å; I388-L494 HydrophobicContact CD1-CD1 4.21Å; I388-I509 HydrophobicContact CG2-CG1 4.35Å; I388-I509 HydrophobicContact CG2-CG2 4.01Å; I388-Y511 CarbonylContact C-O 3.52Å; I388-Y511 WeakPolarHBondContact CA-O 3.16Å; I388-I512 HydrophobicContact CD1-CD1 4.19Å; I388-I512 HydrophobicContact CG1-CD1 3.94Å; I388-I512 HydrophobicContact CG1-CG1 4.15Å; I388-I512 HydrophobicContact CG2-CD1 4.49Å
389G98.4Very high96.5Very high0 Ų030.6 Ų30.60%016%0.158CC..EExtended strand (participates in β ladder)trans-95.7124.3172.200000110.4V510 Y511G389-V510 PolarHBondContact O-N 3.05Å; G389-Y511 PolarHBondContact N-O 3.2Å; G389-Y511 PolarHBondContact O-N 3.14Å
390L98.5Very high96.5Very high0 Ų033.3 Ų33.30%017%0.17CC..EExtended strand (participates in β ladder)trans-117.4137.7-171.7-60.2171.9000111.5F110 I388 L397 L399 K453 S454 L456 I504 K508 I509F110-L390 VanDerWaalsContact CE1-N 3.34Å; F110-L390 VanDerWaalsContact CE1-O 3.31Å; F110-L390 WeakPolarHBondContact CE1-O 3.25Å; I388-L390 HydrophobicContact CG2-CD2 3.71Å; I388-L390 HydrophobicContact CG2-CG 4.16Å; L390-L397 HydrophobicContact CB-CD1 3.75Å; L390-L397 HydrophobicContact CD1-CD1 4.01Å; L390-L399 HydrophobicContact CD1-CD1 4.35Å; L390-K453 WeakPolarHBondContact O-CA 3.41Å; L390-S454 PolarHBondContact N-O 3.45Å; L390-S454 PolarHBondContact O-N 3.14Å; L390-L456 HydrophobicContact CD1-CD1 4.05Å; L390-L456 HydrophobicContact CD1-CG 3.99Å; L390-I504 HydrophobicContact CD1-CD1 3.95Å; L390-I504 HydrophobicContact CD1-CG1 4.34Å; L390-I504 HydrophobicContact CD1-CG2 4.25Å; L390-I504 HydrophobicContact CD2-CG2 3.79Å; L390-K508 CarbonylContact C-O 3.53Å; L390-K508 VanDerWaalsContact CA-O 3.25Å; L390-K508 WeakPolarHBondContact CA-O 3.31Å; L390-I509 HydrophobicContact CD2-CG1 3.85Å
391N97.9Very high96.6Very high91 Ų9133.3 Ų33.349%0.48717%0.168SC..EExtended strand (participates in β ladder)trans-83.2119.3166.9-168.632.5000109.5G452 K508 V510N391-G452 PolarHBondContact OD1-O 2.93Å; N391-K508 PolarHBondContact N-O 2.93Å; N391-K508 VanDerWaalsContact O-CD 3.27Å; N391-K508 WeakPolarHBondContact O-CD 3.1Å; N391-V510 HydrophobicContact CB-CG2 3.77Å
392G97.1Very high96.7Very high3 Ų330.4 Ų30.43%0.03116%0.155CC..SBendtrans130.9153.3-179.200000113.2E396 L397 G452 K453 S454G392-E396 WeakPolarHBondContact CA-OE2 3.44Å; G392-L397 WeakPolarHBondContact O-CD1 3.22Å; G392-G452 CarbonylContact C-O 3.58Å; G392-G452 WeakPolarHBondContact CA-O 3.27Å; G392-G452 PolarHBondContact N-O 3.5Å; G392-K453 CarbonylContact O-C 3.3Å; G392-S454 WeakPolarHBondContact O-CB 3.38Å; G392-S454 PolarHBondContact O-N 3.35Å; G392-S454 PolarHBondContact O-OG 2.93Å
393T96.8Very high96.9Very high24 Ų2430.2 Ų30.215%0.14715%0.153CC..  trans-74167.5175.781.20000111.3E395 E396 L397T393-E395 WeakPolarHBondContact CB-OE2 3.24Å; T393-E395 PolarHBondContact O-N 3.11Å; T393-E395 PolarHBondContact OG1-N 3.18Å; T393-E395 PolarHBondContact OG1-OE2 3.48Å; T393-E396 PolarHBondContact N-OE2 3.15Å; T393-E396 PolarHBondContact O-N 2.59Å; T393-E396 PolarHBondContact OG1-N 3.2Å; T393-L397 WeakPolarHBondContact O-CB 3.38Å; T393-L397 WeakPolarHBondContact O-CG 3.35Å; T393-L397 PolarHBondContact O-N 2.93Å
394R95.6Very high97.1Very high72 Ų7232 Ų3227%0.27216%0.16SC..Hα-helixtrans-60.7-33.3175.866.2172.5-75.1-175.1-10.4112E146 G398 L399 A441E146-R394 IonicContact OE1-CZ 2.62Å; E146-R394 IonicContact OE1-NH2 2.77Å; E146-R394 PolarHBondContact OE1-NH2 3.37Å; R394-G398 CarbonylContact O-C 3.57Å; R394-G398 WeakPolarHBondContact O-CA 3.46Å; R394-G398 PolarHBondContact O-N 3.08Å; R394-L399 HydrophobicContact CB-CB 3.98Å; R394-L399 PolarHBondContact NE-O 2.91Å; R394-L399 PolarHBondContact O-N 3.44Å; R394-A441 HydrophobicContact CB-CB 4.19Å; R394-A441 PolarHBondContact NH1-O 2.88Å
395E95.8Very high97.2Very high122 Ų12232.1 Ų32.157%0.5716%0.161SC*.Hα-helixtrans-70.1-46.1179.1-6569.2-149.900111.5T393 L397 G398T393-E395 WeakPolarHBondContact CB-OE2 3.24Å; T393-E395 PolarHBondContact O-N 3.11Å; T393-E395 PolarHBondContact OG1-N 3.18Å; T393-E395 PolarHBondContact OG1-OE2 3.48Å; E395-L397 VanDerWaalsContact C-N 3.29Å; E395-L397 PolarHBondContact O-N 3.1Å; E395-G398 PolarHBondContact O-N 3.09Å
396E97.1Very high97.3Very high118 Ų11832 Ų3255%0.55116%0.16SC*.Hα-helixtrans-59.9-42.1177.3-68.1176.8148.300111.1G392 T393 K503G392-E396 WeakPolarHBondContact CA-OE2 3.44Å; T393-E396 PolarHBondContact N-OE2 3.15Å; T393-E396 PolarHBondContact O-N 2.59Å; T393-E396 PolarHBondContact OG1-N 3.2Å; E396-K503 WeakPolarHBondContact O-CD 3.19Å
397L97.7Very high97.3Very high4 Ų431.8 Ų31.82%0.02116%0.159CC..Hα-helixtrans-88.6-4.4-178-61170.1000113.6L390 G392 T393 E395 L399 K508L390-L397 HydrophobicContact CB-CD1 3.75Å; L390-L397 HydrophobicContact CD1-CD1 4.01Å; G392-L397 WeakPolarHBondContact O-CD1 3.22Å; T393-L397 WeakPolarHBondContact O-CB 3.38Å; T393-L397 WeakPolarHBondContact O-CG 3.35Å; T393-L397 PolarHBondContact O-N 2.93Å; E395-L397 VanDerWaalsContact C-N 3.29Å; E395-L397 PolarHBondContact O-N 3.1Å; L397-L399 VanDerWaalsContact C-N 3.28Å; L397-L399 HydrophobicContact CB-CD1 4.07Å; L397-L399 HydrophobicContact CB-CG 3.9Å; L397-L399 HydrophobicContact CD1-CD1 4.17Å; L397-L399 PolarHBondContact O-N 3.17Å; L397-K508 HydrophobicContact CD2-CB 4.23Å; L397-K508 HydrophobicContact CD2-CD 4.17Å; L397-K508 HydrophobicContact CD2-CG 4.05Å
398G96.3Very high97.1Very high34 Ų3434.2 Ų34.235%0.35118%0.175SC..THydrogen-bonded Turntrans67.225.5-178.700000114.5R394 E395R394-G398 CarbonylContact O-C 3.57Å; R394-G398 WeakPolarHBondContact O-CA 3.46Å; R394-G398 PolarHBondContact O-N 3.08Å; E395-G398 PolarHBondContact O-N 3.09Å
399L96.9Very high97Very high6 Ų637 Ų373%0.03119%0.19CC..  trans-82.1138.7178.8-60176.8000111.4L390 R394 L397 A441 L456 F501 I504L390-L399 HydrophobicContact CD1-CD1 4.35Å; R394-L399 HydrophobicContact CB-CB 3.98Å; R394-L399 PolarHBondContact NE-O 2.91Å; R394-L399 PolarHBondContact O-N 3.44Å; L397-L399 VanDerWaalsContact C-N 3.28Å; L397-L399 HydrophobicContact CB-CD1 4.07Å; L397-L399 HydrophobicContact CB-CG 3.9Å; L397-L399 HydrophobicContact CD1-CD1 4.17Å; L397-L399 PolarHBondContact O-N 3.17Å; L399-A441 HydrophobicContact CB-CB 4.11Å; L399-L456 HydrophobicContact CD1-CD2 4.47Å; L399-L456 HydrophobicContact CD2-CD2 3.85Å; L399-F501 HydrophobicContact CD2-CD1 4.23Å; L399-F501 HydrophobicContact CD2-CE1 4.43Å; L399-I504 HydrophobicContact CD2-CD1 4.01Å
400K96.1Very high96.8Very high109 Ų10938.3 Ų38.347%0.47420%0.197SC..  trans-122.9162179.6-69.1-173.3177.2-169.50111.2N402 A441K400-N402 WeakPolarHBondContact CB-OD1 3.47Å; K400-N402 PolarHBondContact O-N 3.04Å; K400-N402 PolarHBondContact O-OD1 3.21Å; K400-A441 WeakPolarHBondContact O-CB 3.49Å
401A95.9Very high96.8Very high9 Ų940.6 Ų40.67%0.07421%0.209CC..SBendtrans-81.146.5176.300000111.9L145 E146 A441 K442L145-A401 WeakPolarHBondContact CB-O 3.17Å; E146-A401 HydrophobicContact CG-CB 4.08Å; E146-A401 PolarHBondContact N-O 3.28Å; E146-A401 VanDerWaalsContact N-O 3.13Å; E146-A401 PolarHBondContact OE1-N 3.18Å; A401-A441 WeakPolarHBondContact CB-O 3.31Å; A401-K442 HydrophobicContact CB-CG 4.17Å
402N95.2Very high96.7Very high5 Ų536.5 Ų36.53%0.02719%0.187CC..SBendtrans-124.4178.1176.459.94.4000109.9F149 H151 K400 Y404F149-N402 CarbonylContact O-C 3.45Å; F149-N402 VanDerWaalsContact O-CA 3.26Å; F149-N402 WeakPolarHBondContact O-CA 3.34Å; F149-N402 WeakPolarHBondContact O-CB 3.4Å; H151-N402 PolarHBondContact CD2-ND2 3.48Å; H151-N402 PolarHBondContact NE2-ND2 3.09Å; K400-N402 WeakPolarHBondContact CB-OD1 3.47Å; K400-N402 PolarHBondContact O-N 3.04Å; K400-N402 PolarHBondContact O-OD1 3.21Å; N402-Y404 PolarHBondContact ND2-OH 3.01Å; N402-Y404 WeakPolarHBondContact OD1-CE2 3.28Å
403N97.9Very high96.7Very high0 Ų037.2 Ų37.20%019%0.19CC..EExtended strand (participates in β ladder)trans-120.3157.9174.2-48-68.1000111.3Y118 F149 D150 H151 F435 A437 K442Y118-N403 VanDerWaalsContact CD1-ND2 3.31Å; Y118-N403 WeakPolarHBondContact CD1-ND2 3.31Å; Y118-N403 WeakPolarHBondContact CE1-ND2 3.45Å; F149-N403 PolarHBondContact O-N 3.11Å; F149-N403 PolarHBondContact O-ND2 3.11Å; D150-N403 CarbonylContact C-O 3.59Å; D150-N403 WeakPolarHBondContact CA-O 3.34Å; D150-N403 VanDerWaalsContact OD1-CB 3.28Å; D150-N403 WeakPolarHBondContact OD1-CB 3.39Å; D150-N403 PolarHBondContact OD1-ND2 3.01Å; H151-N403 PolarHBondContact N-O 3.3Å; N403-F435 HydrophobicContact CB-CD2 4.48Å; N403-F435 HydrophobicContact CB-CE2 3.54Å; N403-F435 HydrophobicContact CB-CZ 3.97Å; N403-F435 WeakPolarHBondContact OD1-CZ 3.28Å; N403-A437 WeakPolarHBondContact OD1-CB 3.34Å; N403-K442 VanDerWaalsContact OD1-CE 3.29Å; N403-K442 WeakPolarHBondContact OD1-CE 3.2Å; N403-K442 PolarHBondContact OD1-NZ 3.09Å
404Y98.4Very high96.7Very high36 Ų3641.2 Ų41.214%0.14121%0.207CC..EExtended strand (participates in β ladder)trans-125.5126.2176.6-66.3-103.6000109.7H151 V153 N402 F435 V436 V500 F501H151-Y404 HydrophobicContact CB-CD1 3.68Å; H151-Y404 HydrophobicContact CB-CE1 3.9Å; H151-Y404 HydrophobicContact CB-CG 4.27Å; H151-Y404 AromaticContact CG-CE1 3.89Å; H151-Y404 WeakPolarHBondContact O-CA 3.4Å; V153-Y404 HydrophobicContact CG2-CD1 4.13Å; N402-Y404 PolarHBondContact ND2-OH 3.01Å; N402-Y404 WeakPolarHBondContact OD1-CE2 3.28Å; Y404-F435 CarbonylContact O-C 3.54Å; Y404-F435 WeakPolarHBondContact O-CA 3.29Å; Y404-V436 PolarHBondContact N-O 3.07Å; Y404-V436 PolarHBondContact O-N 3.19Å; Y404-V500 HydrophobicContact CD1-CG1 4.15Å; Y404-V500 HydrophobicContact CE1-CG1 4.48Å; Y404-F501 HydrophobicContact CD1-CZ 4.22Å; Y404-F501 AromaticContact CD2-CE1 3.95Å; Y404-F501 HydrophobicContact CD2-CE1 3.95Å; Y404-F501 AromaticContact CD2-CZ 3.42Å; Y404-F501 HydrophobicContact CD2-CZ 3.42Å; Y404-F501 VanDerWaalsContact CD2-CZ 3.42Å; Y404-F501 HydrophobicContact CE1-CE1 4.43Å; Y404-F501 HydrophobicContact CE1-CZ 4.37Å; Y404-F501 AromaticContact CE2-CE1 3.59Å; Y404-F501 HydrophobicContact CE2-CE1 3.59Å; Y404-F501 AromaticContact CE2-CZ 3.59Å; Y404-F501 HydrophobicContact CE2-CZ 3.59Å; Y404-F501 HydrophobicContact CG-CE1 4.5Å; Y404-F501 AromaticContact CG-CZ 3.76Å; Y404-F501 HydrophobicContact CG-CZ 3.76Å; Y404-F501 AromaticContact CZ-CE1 3.87Å
405W98.6Very high96.7Very high6 Ų638.3 Ų38.32%0.02320%0.197CC..EExtended strand (participates in β ladder)trans-108.597.5173.5-70.187.2000107.7Y118 D150 H151 V153 Y257 T261 F407 L433 F435Y118-W405 VanDerWaalsContact OH-CZ2 3.32Å; Y118-W405 WeakPolarHBondContact OH-CZ2 3.36Å; Y118-W405 PolarHBondContact OH-NE1 2.9Å; D150-W405 PolarHBondContact OD2-NE1 3.23Å; H151-W405 PolarHBondContact O-N 2.88Å; V153-W405 PolarHBondContact N-O 2.77Å; Y257-W405 HydrophobicContact CD2-CB 3.87Å; Y257-W405 AromaticContact CD2-CD1 3.58Å; Y257-W405 AromaticContact CD2-CD2 3.94Å; Y257-W405 HydrophobicContact CD2-CD2 3.94Å; Y257-W405 AromaticContact CD2-CG 3.51Å; Y257-W405 HydrophobicContact CD2-CG 3.51Å; Y257-W405 AromaticContact CD2-NE1 3.98Å; Y257-W405 HydrophobicContact CE2-CB 4.5Å; Y257-W405 AromaticContact CE2-CD1 3.37Å; Y257-W405 HydrophobicContact CE2-CD2 4.3Å; Y257-W405 AromaticContact CE2-CG 3.83Å; Y257-W405 HydrophobicContact CE2-CG 3.83Å; Y257-W405 AromaticContact CE2-NE1 3.56Å; T261-W405 HydrophobicContact CG2-CH2 3.47Å; T261-W405 VanDerWaalsContact CG2-CH2 3.47Å; T261-W405 HydrophobicContact CG2-CZ2 3.43Å; T261-W405 VanDerWaalsContact CG2-CZ2 3.43Å; W405-F407 HydrophobicContact CB-CE2 3.7Å; W405-F407 HydrophobicContact CB-CZ 4.29Å; W405-F407 HydrophobicContact CE3-CZ 4.27Å; W405-F407 WeakPolarHBondContact O-CD2 3.18Å; W405-L433 HydrophobicContact CE3-CD1 3.97Å; W405-L433 HydrophobicContact CZ3-CD1 4.49Å; W405-L433 HydrophobicContact CZ3-CD2 4.49Å; W405-F435 AromaticContact CD2-CD2 3.84Å; W405-F435 HydrophobicContact CD2-CD2 3.84Å; W405-F435 AromaticContact CE2-CD2 3.43Å; W405-F435 VanDerWaalsContact CE2-CD2 3.43Å; W405-F435 AromaticContact CE2-CE2 3.86Å; W405-F435 HydrophobicContact CE3-CB 4.33Å; W405-F435 HydrophobicContact CE3-CD2 4.27Å; W405-F435 HydrophobicContact CG-CD2 4.37Å; W405-F435 HydrophobicContact CH2-CB 4.41Å; W405-F435 AromaticContact CH2-CD2 3.94Å; W405-F435 HydrophobicContact CH2-CD2 3.94Å; W405-F435 HydrophobicContact CH2-CG 4.42Å; W405-F435 AromaticContact CZ2-CD2 3.5Å; W405-F435 HydrophobicContact CZ2-CD2 3.5Å; W405-F435 VanDerWaalsContact CZ2-CD2 3.5Å; W405-F435 AromaticContact CZ2-CE2 3.89Å; W405-F435 HydrophobicContact CZ2-CE2 3.89Å; W405-F435 HydrophobicContact CZ2-CG 4.38Å; W405-F435 HydrophobicContact CZ3-CB 4.19Å; W405-F435 HydrophobicContact CZ3-CD2 4.31Å; W405-F435 AromaticContact NE1-CD2 3.74Å; W405-F435 AromaticContact NE1-CE2 3.81Å
406I98.5Very high96.7Very high8 Ų832.8 Ų32.84%0.04117%0.171CC..EExtended strand (participates in β ladder)trans-102.2120.9-170.7-55.4147.6000109V153 L433 L434 V436 V496 V500V153-I406 HydrophobicContact CB-CB 4.31Å; V153-I406 HydrophobicContact CB-CG1 3.97Å; V153-I406 HydrophobicContact CB-CG2 4.32Å; V153-I406 HydrophobicContact CG1-CG1 4.41Å; V153-I406 HydrophobicContact CG1-CG2 4.15Å; V153-I406 HydrophobicContact CG2-CG1 4.25Å; V153-I406 WeakPolarHBondContact O-CA 3.26Å; I406-L433 CarbonylContact O-C 3.56Å; I406-L433 VanDerWaalsContact O-CA 3.29Å; I406-L433 WeakPolarHBondContact O-CA 3.47Å; I406-L434 HydrophobicContact CB-CB 4.45Å; I406-L434 HydrophobicContact CD1-CB 4.48Å; I406-L434 PolarHBondContact N-O 2.66Å; I406-L434 PolarHBondContact O-N 3.02Å; I406-V436 HydrophobicContact CD1-CB 4.38Å; I406-V436 HydrophobicContact CD1-CG2 3.69Å; I406-V496 HydrophobicContact CD1-CG1 4.47Å; I406-V496 HydrophobicContact CG2-CG1 3.75Å; I406-V500 HydrophobicContact CD1-CB 4.38Å; I406-V500 HydrophobicContact CD1-CG1 4.34Å; I406-V500 HydrophobicContact CD1-CG2 3.74Å; I406-V500 HydrophobicContact CG1-CG2 4.07Å; I406-V500 HydrophobicContact CG2-CG2 4.35Å
407F97.9Very high96.6Very high1 Ų131.2 Ų31.20%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-123.1140179.7-55.7-93.1000110.4V152 V153 L154 G155 F259 W405 D409 F412 L415 P432 L433V152-F407 HydrophobicContact CG1-CD2 4.34Å; V152-F407 HydrophobicContact CG1-CE2 4.22Å; V153-F407 PolarHBondContact O-N 2.84Å; L154-F407 CarbonylContact C-O 3.59Å; L154-F407 HydrophobicContact CD2-CB 3.91Å; L154-F407 HydrophobicContact CD2-CD2 3.74Å; L154-F407 HydrophobicContact CD2-CG 4.15Å; G155-F407 PolarHBondContact N-O 3.19Å; F259-F407 AromaticContact CE1-CE1 3.61Å; F259-F407 HydrophobicContact CE1-CE1 3.61Å; F259-F407 HydrophobicContact CE1-CZ 4.16Å; F259-F407 HydrophobicContact CZ-CE1 4.07Å; W405-F407 HydrophobicContact CB-CE2 3.7Å; W405-F407 HydrophobicContact CB-CZ 4.29Å; W405-F407 HydrophobicContact CE3-CZ 4.27Å; W405-F407 WeakPolarHBondContact O-CD2 3.18Å; F407-D409 WeakPolarHBondContact CB-O 3.5Å; F407-D409 PolarHBondContact O-N 3.38Å; F407-F412 HydrophobicContact CB-CD1 4.46Å; F407-F412 HydrophobicContact CB-CE1 3.72Å; F407-F412 AromaticContact CD1-CD1 3.67Å; F407-F412 HydrophobicContact CD1-CD1 3.67Å; F407-F412 AromaticContact CD1-CE1 3.31Å; F407-F412 HydrophobicContact CD1-CE1 3.31Å; F407-F412 HydrophobicContact CD1-CG 4.46Å; F407-F412 AromaticContact CD1-CZ 3.83Å; F407-F412 HydrophobicContact CD1-CZ 3.83Å; F407-F412 AromaticContact CD2-CE1 3.76Å; F407-F412 HydrophobicContact CD2-CE1 3.76Å; F407-F412 AromaticContact CD2-CZ 3.7Å; F407-F412 HydrophobicContact CD2-CZ 3.7Å; F407-F412 HydrophobicContact CE1-CD1 4.03Å; F407-F412 HydrophobicContact CE1-CD2 4.49Å; F407-F412 AromaticContact CE1-CE1 3.74Å; F407-F412 HydrophobicContact CE1-CE1 3.74Å; F407-F412 HydrophobicContact CE1-CE2 4.21Å; F407-F412 HydrophobicContact CE1-CG 4.41Å; F407-F412 AromaticContact CE1-CZ 3.81Å; F407-F412 HydrophobicContact CE1-CZ 3.81Å; F407-F412 HydrophobicContact CE2-CE1 4.13Å; F407-F412 HydrophobicContact CE2-CE2 4.39Å; F407-F412 AromaticContact CE2-CZ 3.68Å; F407-F412 HydrophobicContact CE2-CZ 3.68Å; F407-F412 HydrophobicContact CG-CD1 4.11Å; F407-F412 AromaticContact CG-CE1 3.32Å; F407-F412 HydrophobicContact CG-CE1 3.32Å; F407-F412 AromaticContact CG-CZ 3.76Å; F407-F412 HydrophobicContact CG-CZ 3.76Å; F407-F412 HydrophobicContact CZ-CE1 4.13Å; F407-F412 HydrophobicContact CZ-CE2 4.11Å; F407-F412 AromaticContact CZ-CZ 3.75Å; F407-F412 HydrophobicContact CZ-CZ 3.75Å; F407-L415 HydrophobicContact CB-CD2 4.46Å; F407-L415 HydrophobicContact CD1-CD2 4.46Å; F407-P432 WeakPolarHBondContact CA-O 3.03Å; F407-L433 HydrophobicContact CD1-CB 4.07Å; F407-L433 HydrophobicContact CD1-CD1 3.6Å; F407-L433 HydrophobicContact CD1-CG 4.28Å; F407-L433 HydrophobicContact CD2-CD1 4.4Å; F407-L433 HydrophobicContact CE1-CB 4.13Å; F407-L433 HydrophobicContact CE1-CD1 3.17Å; F407-L433 HydrophobicContact CE1-CD2 3.88Å; F407-L433 HydrophobicContact CE1-CG 3.88Å; F407-L433 HydrophobicContact CE2-CD1 4.07Å; F407-L433 HydrophobicContact CG-CD1 4.21Å; F407-L433 HydrophobicContact CZ-CD1 3.44Å; F407-L433 VanDerWaalsContact CZ-CD1 3.44Å; F407-L433 HydrophobicContact CZ-CD2 4.5Å
408T94.6Very high96.5Very high68 Ų6837.4 Ų37.442%0.41719%0.187SC..SBendtrans-74.1-17.7177.759.10000113G155 L415 P432G155-T408 WeakPolarHBondContact CA-O 3.24Å; T408-L415 WeakPolarHBondContact OG1-CD1 3.34Å; T408-P432 PolarHBondContact N-O 2.85Å
409D94.9Very high96.5Very high61 Ų6136 Ų3633%0.32617%0.171SC..  trans-151.2170.8-179.1-154.2-19.5000110.9F407 F412 L415F407-D409 WeakPolarHBondContact CB-O 3.5Å; F407-D409 PolarHBondContact O-N 3.38Å; D409-F412 WeakPolarHBondContact O-CE1 3.35Å; D409-L415 HydrophobicContact CB-CD1 4.46Å
410N95.9Very high96.3Very high28 Ų2836.6 Ų36.615%0.1517%0.174CC..SBendtrans-99.8-7.3-179.867.915.9000114.2L154 K249 D250 A253 F412L154-N410 HydrophobicContact CD1-CB 4.07Å; K249-N410 WeakPolarHBondContact CB-ND2 3.22Å; D250-N410 PolarHBondContact OD1-ND2 3.42Å; A253-N410 HydrophobicContact CB-CB 3.88Å; N410-F412 PolarHBondContact O-N 2.79Å
411N96.8Very high96.2Very high47 Ų4737.1 Ų37.125%0.25118%0.182SC..  trans-95.386.1171.4-169.7-17.5000110.8D413 E414 L415N411-D413 VanDerWaalsContact C-N 3.27Å; N411-D413 PolarHBondContact O-N 3.06Å; N411-D413 PolarHBondContact OD1-N 3.24Å; N411-E414 HydrophobicContact CB-CB 4.48Å; N411-E414 WeakPolarHBondContact ND2-CG 3.25Å; N411-E414 PolarHBondContact ND2-OE1 3.36Å; N411-E414 PolarHBondContact ND2-OE2 3.35Å; N411-E414 PolarHBondContact OD1-N 3.19Å; N411-L415 WeakPolarHBondContact O-CB 3.32Å; N411-L415 PolarHBondContact O-N 3.22Å
412F97.4Very high96.1Very high6 Ų639.6 Ų39.63%0.02619%0.194CC..Hα-helixtrans-65.4-27.2-174.1-59.6-23.8000114.3L154 A253 T256 F259 P266 F407 D409 N410 L415 M416L154-F412 HydrophobicContact CD2-CE1 3.94Å; L154-F412 HydrophobicContact CD2-CZ 3.92Å; A253-F412 HydrophobicContact CB-CE1 4.15Å; A253-F412 HydrophobicContact CB-CE2 3.96Å; A253-F412 HydrophobicContact CB-CZ 3.62Å; A253-F412 VanDerWaalsContact O-CE2 3.26Å; A253-F412 WeakPolarHBondContact O-CE2 3.36Å; T256-F412 VanDerWaalsContact OG1-CD2 3.27Å; T256-F412 WeakPolarHBondContact OG1-CD2 3.31Å; T256-F412 WeakPolarHBondContact OG1-CE2 3.49Å; F259-F412 AromaticContact CD1-CD2 3.91Å; F259-F412 HydrophobicContact CD1-CD2 3.91Å; F259-F412 HydrophobicContact CD1-CE2 4.49Å; F259-F412 HydrophobicContact CD1-CG 4.47Å; F259-F412 HydrophobicContact CE1-CB 3.85Å; F259-F412 AromaticContact CE1-CD2 3.62Å; F259-F412 HydrophobicContact CE1-CD2 3.62Å; F259-F412 HydrophobicContact CE1-CE2 4.28Å; F259-F412 AromaticContact CE1-CG 3.77Å; F259-F412 HydrophobicContact CE1-CG 3.77Å; F259-F412 HydrophobicContact CZ-CB 4.38Å; P266-F412 HydrophobicContact CG-CB 4Å; P266-F412 HydrophobicContact CG-CD2 4.23Å; F407-F412 HydrophobicContact CB-CD1 4.46Å; F407-F412 HydrophobicContact CB-CE1 3.72Å; F407-F412 AromaticContact CD1-CD1 3.67Å; F407-F412 HydrophobicContact CD1-CD1 3.67Å; F407-F412 AromaticContact CD1-CE1 3.31Å; F407-F412 HydrophobicContact CD1-CE1 3.31Å; F407-F412 HydrophobicContact CD1-CG 4.46Å; F407-F412 AromaticContact CD1-CZ 3.83Å; F407-F412 HydrophobicContact CD1-CZ 3.83Å; F407-F412 AromaticContact CD2-CE1 3.76Å; F407-F412 HydrophobicContact CD2-CE1 3.76Å; F407-F412 AromaticContact CD2-CZ 3.7Å; F407-F412 HydrophobicContact CD2-CZ 3.7Å; F407-F412 HydrophobicContact CE1-CD1 4.03Å; F407-F412 HydrophobicContact CE1-CD2 4.49Å; F407-F412 AromaticContact CE1-CE1 3.74Å; F407-F412 HydrophobicContact CE1-CE1 3.74Å; F407-F412 HydrophobicContact CE1-CE2 4.21Å; F407-F412 HydrophobicContact CE1-CG 4.41Å; F407-F412 AromaticContact CE1-CZ 3.81Å; F407-F412 HydrophobicContact CE1-CZ 3.81Å; F407-F412 HydrophobicContact CE2-CE1 4.13Å; F407-F412 HydrophobicContact CE2-CE2 4.39Å; F407-F412 AromaticContact CE2-CZ 3.68Å; F407-F412 HydrophobicContact CE2-CZ 3.68Å; F407-F412 HydrophobicContact CG-CD1 4.11Å; F407-F412 AromaticContact CG-CE1 3.32Å; F407-F412 HydrophobicContact CG-CE1 3.32Å; F407-F412 AromaticContact CG-CZ 3.76Å; F407-F412 HydrophobicContact CG-CZ 3.76Å; F407-F412 HydrophobicContact CZ-CE1 4.13Å; F407-F412 HydrophobicContact CZ-CE2 4.11Å; F407-F412 AromaticContact CZ-CZ 3.75Å; F407-F412 HydrophobicContact CZ-CZ 3.75Å; D409-F412 WeakPolarHBondContact O-CE1 3.35Å; N410-F412 PolarHBondContact O-N 2.79Å; F412-L415 HydrophobicContact CD1-CD2 4.41Å; F412-M416 VanDerWaalsContact O-CB 3.31Å; F412-M416 WeakPolarHBondContact O-CB 3.43Å; F412-M416 VanDerWaalsContact O-CG 3.28Å; F412-M416 WeakPolarHBondContact O-CG 3.36Å; F412-M416 PolarHBondContact O-N 2.85Å
413D97.3Very high96.1Very high18 Ų1841.7 Ų41.710%0.09622%0.217CC..Hα-helixtrans-68.6-54.5178.7-70.5-35.6000111T239 P266 K267 N411 L415 M416 E417T239-D413 WeakPolarHBondContact CB-OD2 3.21Å; T239-D413 VanDerWaalsContact CG2-OD2 3.27Å; T239-D413 WeakPolarHBondContact CG2-OD2 2.76Å; T239-D413 PolarHBondContact OG1-OD2 2.7Å; P266-D413 WeakPolarHBondContact CD-OD1 3.17Å; K267-D413 HydrophobicContact CB-CB 4.38Å; K267-D413 VanDerWaalsContact CB-CG 3.46Å; K267-D413 VanDerWaalsContact CB-OD1 3.26Å; K267-D413 WeakPolarHBondContact CB-OD1 3.32Å; K267-D413 WeakPolarHBondContact CB-OD2 3.39Å; K267-D413 PolarHBondContact N-OD1 3.39Å; N411-D413 VanDerWaalsContact C-N 3.27Å; N411-D413 PolarHBondContact O-N 3.06Å; N411-D413 PolarHBondContact OD1-N 3.24Å; D413-L415 VanDerWaalsContact C-N 3.28Å; D413-L415 PolarHBondContact O-N 2.78Å; D413-M416 PolarHBondContact O-N 3.44Å; D413-E417 WeakPolarHBondContact O-CB 3.33Å; D413-E417 PolarHBondContact O-N 2.77Å
414E96.4Very high95.9Very high108 Ų10845.5 Ų45.551%0.50523%0.231SC..Hα-helixtrans-64.1-35.7176.7-72.9174.2-160.100112N411 R418N411-E414 HydrophobicContact CB-CB 4.48Å; N411-E414 WeakPolarHBondContact ND2-CG 3.25Å; N411-E414 PolarHBondContact ND2-OE1 3.36Å; N411-E414 PolarHBondContact ND2-OE2 3.35Å; N411-E414 PolarHBondContact OD1-N 3.19Å; E414-R418 WeakPolarHBondContact O-CB 3.36Å; E414-R418 VanDerWaalsContact O-CG 3.24Å; E414-R418 WeakPolarHBondContact O-CG 3.48Å; E414-R418 PolarHBondContact O-N 2.81Å; E414-R418 PolarHBondContact O-NE 2.68Å
415L95.3Very high95.7Very high11 Ų1150 Ų506%0.05825%0.254CS..Hα-helixtrans-63.7-50.9178.7179.965.4000111.4F407 T408 D409 N411 F412 D413 Y419 P432F407-L415 HydrophobicContact CB-CD2 4.46Å; F407-L415 HydrophobicContact CD1-CD2 4.46Å; T408-L415 WeakPolarHBondContact OG1-CD1 3.34Å; D409-L415 HydrophobicContact CB-CD1 4.46Å; N411-L415 WeakPolarHBondContact O-CB 3.32Å; N411-L415 PolarHBondContact O-N 3.22Å; F412-L415 HydrophobicContact CD1-CD2 4.41Å; D413-L415 VanDerWaalsContact C-N 3.28Å; D413-L415 PolarHBondContact O-N 2.78Å; L415-Y419 WeakPolarHBondContact O-CB 3.33Å; L415-Y419 PolarHBondContact O-N 3.29Å; L415-Y419 VanDerWaalsContact O-N 3.16Å; L415-P432 HydrophobicContact CD1-CB 3.57Å; L415-P432 HydrophobicContact CD2-CB 3.77Å; L415-P432 HydrophobicContact CG-CB 3.41Å; L415-P432 VanDerWaalsContact CG-CB 3.41Å
416M96Very high95.6Very high5 Ų553 Ų533%0.02527%0.268CS..Hα-helixtrans-71.7-36.5179.1-69.8-56.9-56.200112.1F259 K265 F412 D413 Y419 L420 P432 F461F259-M416 HydrophobicContact CE2-CG 4.02Å; F259-M416 HydrophobicContact CE2-SD 4.36Å; F259-M416 HydrophobicContact CZ-CG 3.81Å; F259-M416 HydrophobicContact CZ-SD 4.17Å; K265-M416 HydrophobicContact CB-CB 4Å; K265-M416 HydrophobicContact CB-CG 4.23Å; K265-M416 HydrophobicContact CD-CB 4.13Å; F412-M416 VanDerWaalsContact O-CB 3.31Å; F412-M416 WeakPolarHBondContact O-CB 3.43Å; F412-M416 VanDerWaalsContact O-CG 3.28Å; F412-M416 WeakPolarHBondContact O-CG 3.36Å; F412-M416 PolarHBondContact O-N 2.85Å; D413-M416 PolarHBondContact O-N 3.44Å; M416-Y419 HydrophobicContact CE-CD1 4.23Å; M416-Y419 PolarHBondContact O-N 3.36Å; M416-L420 HydrophobicContact CE-CD1 4.3Å; M416-L420 HydrophobicContact CE-CG 4.38Å; M416-L420 VanDerWaalsContact O-CB 3.29Å; M416-L420 WeakPolarHBondContact O-CB 3.32Å; M416-L420 VanDerWaalsContact O-CG 3.24Å; M416-L420 WeakPolarHBondContact O-CG 3.47Å; M416-L420 PolarHBondContact O-N 3.25Å; M416-P432 HydrophobicContact SD-CB 4.38Å; M416-P432 HydrophobicContact SD-CG 3.81Å; M416-F461 HydrophobicContact CE-CB 4.09Å; M416-F461 HydrophobicContact CE-CD2 3.48Å; M416-F461 VanDerWaalsContact CE-CD2 3.48Å; M416-F461 HydrophobicContact CE-CE2 4.24Å; M416-F461 HydrophobicContact CE-CG 4.04Å; M416-F461 HydrophobicContact SD-CD2 4.35Å
417E95Very high95.4Very high85 Ų8552.7 Ų52.740%0.39727%0.266SS..Hα-helixtrans-63.1-46.5177.4-177.4164.1-158.300111.7D413 N421D413-E417 WeakPolarHBondContact O-CB 3.33Å; D413-E417 PolarHBondContact O-N 2.77Å; E417-N421 VanDerWaalsContact O-CB 3.3Å; E417-N421 WeakPolarHBondContact O-CB 3.26Å; E417-N421 PolarHBondContact O-N 2.8Å; E417-N421 PolarHBondContact O-ND2 2.81Å
418R95.2Very high95.4Very high134 Ų13452.8 Ų52.851%0.50627%0.267SS..Hα-helixtrans-58.7-53.8173.7-74.6-176.6-66.1171.9-2.9111.6E414 L420 N421 D422E414-R418 WeakPolarHBondContact O-CB 3.36Å; E414-R418 VanDerWaalsContact O-CG 3.24Å; E414-R418 WeakPolarHBondContact O-CG 3.48Å; E414-R418 PolarHBondContact O-N 2.81Å; E414-R418 PolarHBondContact O-NE 2.68Å; R418-L420 VanDerWaalsContact C-N 3.32Å; R418-L420 PolarHBondContact O-N 3.3Å; R418-N421 PolarHBondContact O-N 3.42Å; R418-N421 VanDerWaalsContact O-N 3.08Å; R418-D422 PolarHBondContact O-N 3.27Å
419Y96.2Very high95.4Very high5 Ų554.8 Ų54.82%0.0227%0.27CS..Hα-helixtrans-57.7-43-178.2172.2-112.5000113.3L415 M416 A427 P432 F461 W466L415-Y419 WeakPolarHBondContact O-CB 3.33Å; L415-Y419 PolarHBondContact O-N 3.29Å; L415-Y419 VanDerWaalsContact O-N 3.16Å; M416-Y419 HydrophobicContact CE-CD1 4.23Å; M416-Y419 PolarHBondContact O-N 3.36Å; Y419-A427 HydrophobicContact CD2-CB 3.96Å; Y419-A427 HydrophobicContact CE2-CB 3.68Å; Y419-A427 WeakPolarHBondContact CE2-O 3.29Å; Y419-P432 HydrophobicContact CD1-CG 3.61Å; Y419-P432 HydrophobicContact CD2-CG 3.94Å; Y419-P432 HydrophobicContact CE1-CG 4.14Å; Y419-P432 VanDerWaalsContact CE2-CD 3.49Å; Y419-P432 HydrophobicContact CE2-CG 4.41Å; Y419-P432 HydrophobicContact CG-CG 3.47Å; Y419-P432 VanDerWaalsContact CG-CG 3.47Å; Y419-F461 HydrophobicContact CE1-CB 4.38Å; Y419-F461 WeakPolarHBondContact CE1-O 3.38Å; Y419-F461 PolarHBondContact OH-O 3Å; Y419-W466 HydrophobicContact CD1-CH2 4.26Å; Y419-W466 HydrophobicContact CD2-CH2 4.39Å; Y419-W466 AromaticContact CE1-CH2 3.71Å; Y419-W466 HydrophobicContact CE1-CH2 3.71Å; Y419-W466 HydrophobicContact CE1-CZ3 4.16Å; Y419-W466 AromaticContact CE2-CH2 3.87Å; Y419-W466 HydrophobicContact CE2-CH2 3.87Å; Y419-W466 HydrophobicContact CE2-CZ3 4.28Å; Y419-W466 AromaticContact CZ-CH2 3.5Å; Y419-W466 AromaticContact CZ-CZ3 3.7Å; Y419-W466 WeakPolarHBondContact OH-CZ3 3.36Å
420L92.6Very high95.3Very high19 Ų1957.7 Ų57.710%0.09928%0.28CS..Hα-helixtrans-72.5-31.9179.4-68.9174.7000111.1M416 R418 D422 K463M416-L420 HydrophobicContact CE-CD1 4.3Å; M416-L420 HydrophobicContact CE-CG 4.38Å; M416-L420 VanDerWaalsContact O-CB 3.29Å; M416-L420 WeakPolarHBondContact O-CB 3.32Å; M416-L420 VanDerWaalsContact O-CG 3.24Å; M416-L420 WeakPolarHBondContact O-CG 3.47Å; M416-L420 PolarHBondContact O-N 3.25Å; R418-L420 VanDerWaalsContact C-N 3.32Å; R418-L420 PolarHBondContact O-N 3.3Å; L420-D422 VanDerWaalsContact C-N 3.33Å; L420-K463 HydrophobicContact CD2-CD 4.46Å; L420-K463 HydrophobicContact CD2-CG 3.96Å; L420-K463 WeakPolarHBondContact O-CE 3.38Å; L420-K463 PolarHBondContact O-NZ 2.93Å
421N94.5Very high95.2Very high119 Ų11957 Ų5764%0.63628%0.276SS*.Hα-helixtrans-76.5-20.3177.7-70.9-19.5000113.6E417 R418E417-N421 VanDerWaalsContact O-CB 3.3Å; E417-N421 WeakPolarHBondContact O-CB 3.26Å; E417-N421 PolarHBondContact O-N 2.8Å; E417-N421 PolarHBondContact O-ND2 2.81Å; R418-N421 PolarHBondContact O-N 3.42Å; R418-N421 VanDerWaalsContact O-N 3.08Å
422D94.1Very high95.1Very high62 Ų6254.9 Ų54.933%0.33227%0.265SS..SBendtrans-66.4152.2176.4-75.2-17.9000113.2R418 L420 E426 A427 W466R418-D422 PolarHBondContact O-N 3.27Å; L420-D422 VanDerWaalsContact C-N 3.33Å; D422-E426 HydrophobicContact CB-CB 4.29Å; D422-A427 HydrophobicContact CB-CB 4.32Å; D422-W466 PolarHBondContact O-NE1 2.71Å
423G94.6Very high95Very high49 Ų4954.8 Ų54.851%0.50526%0.264SS..  trans-69.2156.1166.500000111.4E425 E426 A427G423-E425 PolarHBondContact O-N 3.24Å; G423-E425 VanDerWaalsContact O-N 3.09Å; G423-E426 PolarHBondContact O-N 3.41Å; G423-E426 VanDerWaalsContact O-N 3.1Å; G423-A427 WeakPolarHBondContact O-CB 3.43Å; G423-A427 PolarHBondContact O-N 3.37Å
424R94.5Very high95.1Very high79 Ų7954.1 Ų54.130%0.29826%0.261SS..Hα-helixtrans-53.4-34.2-176.267.6-171.3174.4-178.20.2114.5S428 W466 E469 L485R424-S428 WeakPolarHBondContact O-CB 3.34Å; R424-S428 PolarHBondContact O-N 2.91Å; R424-S428 PolarHBondContact O-OG 3.43Å; R424-W466 HydrophobicContact CB-CB 3.74Å; R424-W466 HydrophobicContact CB-CD2 4.3Å; R424-W466 HydrophobicContact CB-CG 3.7Å; R424-W466 WeakPolarHBondContact CD-O 3.24Å; R424-W466 PolarHBondContact NH1-O 3.03Å; R424-E469 IonicContact CZ-OE1 3.21Å; R424-E469 IonicContact NH1-OE1 2.63Å; R424-E469 PolarHBondContact NH1-OE1 3.39Å; R424-E469 IonicContact NH2-OE1 3.6Å; R424-E469 PolarHBondContact NH2-OE1 3.26Å; R424-L485 HydrophobicContact CB-CD1 4.44Å; R424-L485 HydrophobicContact CB-CD2 4.47Å; R424-L485 HydrophobicContact CG-CD1 4.44Å; R424-L485 HydrophobicContact CG-CD2 4.42Å
425E94.2Very high95.1Very high132 Ų13249.3 Ų49.362%0.61724%0.238SC*.Hα-helixtrans-65.3-46179.8-68.4177.2-164.700111.6G423 S428 K429G423-E425 PolarHBondContact O-N 3.24Å; G423-E425 VanDerWaalsContact O-N 3.09Å; E425-S428 PolarHBondContact O-OG 3.23Å; E425-K429 WeakPolarHBondContact O-CE 2.99Å; E425-K429 WeakPolarHBondContact O-CG 3.34Å
426E95.5Very high95.3Very high69 Ų6948.8 Ų48.832%0.32224%0.236SC..Hα-helixtrans-75.7-41.8178.3-70.9-55.9110.700111.8D422 G423 S428 K429 K430D422-E426 HydrophobicContact CB-CB 4.29Å; G423-E426 PolarHBondContact O-N 3.41Å; G423-E426 VanDerWaalsContact O-N 3.1Å; E426-S428 VanDerWaalsContact C-N 3.3Å; E426-S428 PolarHBondContact O-N 2.9Å; E426-K429 PolarHBondContact O-N 3.47Å; E426-K429 VanDerWaalsContact O-N 3.14Å; E426-K429 IonicContact OE1-NZ 3.24Å; E426-K429 PolarHBondContact OE1-NZ 3.49Å; E426-K429 VanDerWaalsContact OE1-NZ 3.11Å; E426-K430 PolarHBondContact O-N 3.4Å; E426-K430 IonicContact OE2-NZ 3.84Å; E426-K430 PolarHBondContact OE2-NZ 2.63Å
427A95.5Very high95.4Very high0 Ų048.7 Ų48.70%024%0.235CC..Hα-helixtrans-58.6-41.3176.400000111.8Y419 D422 G423 K429 K430 W466Y419-A427 HydrophobicContact CD2-CB 3.96Å; Y419-A427 HydrophobicContact CE2-CB 3.68Å; Y419-A427 WeakPolarHBondContact CE2-O 3.29Å; D422-A427 HydrophobicContact CB-CB 4.32Å; G423-A427 WeakPolarHBondContact O-CB 3.43Å; G423-A427 PolarHBondContact O-N 3.37Å; A427-K429 PolarHBondContact O-N 2.84Å; A427-K429 VanDerWaalsContact O-N 3.14Å; A427-K430 PolarHBondContact O-N 2.66Å; A427-W466 HydrophobicContact CB-CH2 3.44Å; A427-W466 VanDerWaalsContact CB-CH2 3.44Å; A427-W466 HydrophobicContact CB-CZ2 3.58Å; A427-W466 HydrophobicContact CB-CZ3 3.95Å
428S96.4Very high95.5Very high3 Ų344.8 Ų44.82%0.02122%0.218CC..Hα-helixtrans-61.9-22.2179.470.30000114.6R424 E425 E426 V488 F489 S492R424-S428 WeakPolarHBondContact O-CB 3.34Å; R424-S428 PolarHBondContact O-N 2.91Å; R424-S428 PolarHBondContact O-OG 3.43Å; E425-S428 PolarHBondContact O-OG 3.23Å; E426-S428 VanDerWaalsContact C-N 3.3Å; E426-S428 PolarHBondContact O-N 2.9Å; S428-V488 VanDerWaalsContact OG-CG1 3.26Å; S428-V488 WeakPolarHBondContact OG-CG1 3.2Å; S428-F489 VanDerWaalsContact CA-CE1 3.5Å; S428-S492 VanDerWaalsContact O-CB 3.3Å; S428-S492 WeakPolarHBondContact O-CB 3.38Å; S428-S492 PolarHBondContact O-OG 3.13Å
429K95.6Very high95.5Very high111 Ų11138.6 Ų38.648%0.48320%0.195SC..Hα-helixtrans-94.7-17.1-178.9-62169.4-164.4161.70113.3E425 E426 A427 V488 S492E425-K429 WeakPolarHBondContact O-CE 2.99Å; E425-K429 WeakPolarHBondContact O-CG 3.34Å; E426-K429 PolarHBondContact O-N 3.47Å; E426-K429 VanDerWaalsContact O-N 3.14Å; E426-K429 IonicContact OE1-NZ 3.24Å; E426-K429 PolarHBondContact OE1-NZ 3.49Å; E426-K429 VanDerWaalsContact OE1-NZ 3.11Å; A427-K429 PolarHBondContact O-N 2.84Å; A427-K429 VanDerWaalsContact O-N 3.14Å; K429-V488 HydrophobicContact CG-CG1 4.04Å; K429-S492 WeakPolarHBondContact CA-OG 3.39Å
430K91.6Very high95.5Very high122 Ų12238.7 Ų38.753%0.5320%0.196SC..  trans-134.960.2-169.4-61.4175.7-162.81480111E426 A427 P432E426-K430 PolarHBondContact O-N 3.4Å; E426-K430 IonicContact OE2-NZ 3.84Å; E426-K430 PolarHBondContact OE2-NZ 2.63Å; A427-K430 PolarHBondContact O-N 2.66Å; K430-P432 VanDerWaalsContact O-CD 3.3Å; K430-P432 WeakPolarHBondContact O-CD 3.34Å
431I95Very high95.7Very high12 Ų1237.9 Ų37.96%0.06219%0.192CC..  trans-67.1116.7-179.9-54173000109L384 L433 L434 S460 F489 A493L384-I431 HydrophobicContact CD2-CD1 4.47Å; I431-L433 WeakPolarHBondContact CG2-O 3.39Å; I431-L433 PolarHBondContact O-N 2.96Å; I431-L434 HydrophobicContact CB-CD2 4.33Å; I431-L434 HydrophobicContact CD1-CD2 4.4Å; I431-L434 HydrophobicContact CG2-CD2 3.6Å; I431-L434 HydrophobicContact CG2-CG 4.32Å; I431-S460 WeakPolarHBondContact CG2-OG 3.23Å; I431-F489 HydrophobicContact CD1-CD1 3.86Å; I431-F489 HydrophobicContact CG1-CD1 4.1Å; I431-F489 HydrophobicContact CG1-CE1 4.46Å; I431-A493 HydrophobicContact CD1-CB 4.02Å
432P93.6Very high95.8Very high3 Ų332.4 Ų32.42%0.01916%0.163CC..  trans-75.5-27.7-169.327.8-36.8000113.5F407 T408 L415 M416 Y419 K430F407-P432 WeakPolarHBondContact CA-O 3.03Å; T408-P432 PolarHBondContact N-O 2.85Å; L415-P432 HydrophobicContact CD1-CB 3.57Å; L415-P432 HydrophobicContact CD2-CB 3.77Å; L415-P432 HydrophobicContact CG-CB 3.41Å; L415-P432 VanDerWaalsContact CG-CB 3.41Å; M416-P432 HydrophobicContact SD-CB 4.38Å; M416-P432 HydrophobicContact SD-CG 3.81Å; Y419-P432 HydrophobicContact CD1-CG 3.61Å; Y419-P432 HydrophobicContact CD2-CG 3.94Å; Y419-P432 HydrophobicContact CE1-CG 4.14Å; Y419-P432 VanDerWaalsContact CE2-CD 3.49Å; Y419-P432 HydrophobicContact CE2-CG 4.41Å; Y419-P432 HydrophobicContact CG-CG 3.47Å; Y419-P432 VanDerWaalsContact CG-CG 3.47Å; K430-P432 VanDerWaalsContact O-CD 3.3Å; K430-P432 WeakPolarHBondContact O-CD 3.34Å
433L96.1Very high95.9Very high4 Ų429.6 Ų29.62%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-140.4127.8-170.516658.4000109.2F259 W405 I406 F407 I431 S460 F461F259-L433 HydrophobicContact CE2-CD2 4.23Å; F259-L433 HydrophobicContact CZ-CD2 3.89Å; W405-L433 HydrophobicContact CE3-CD1 3.97Å; W405-L433 HydrophobicContact CZ3-CD1 4.49Å; W405-L433 HydrophobicContact CZ3-CD2 4.49Å; I406-L433 CarbonylContact O-C 3.56Å; I406-L433 VanDerWaalsContact O-CA 3.29Å; I406-L433 WeakPolarHBondContact O-CA 3.47Å; F407-L433 HydrophobicContact CD1-CB 4.07Å; F407-L433 HydrophobicContact CD1-CD1 3.6Å; F407-L433 HydrophobicContact CD1-CG 4.28Å; F407-L433 HydrophobicContact CD2-CD1 4.4Å; F407-L433 HydrophobicContact CE1-CB 4.13Å; F407-L433 HydrophobicContact CE1-CD1 3.17Å; F407-L433 HydrophobicContact CE1-CD2 3.88Å; F407-L433 HydrophobicContact CE1-CG 3.88Å; F407-L433 HydrophobicContact CE2-CD1 4.07Å; F407-L433 HydrophobicContact CG-CD1 4.21Å; F407-L433 HydrophobicContact CZ-CD1 3.44Å; F407-L433 VanDerWaalsContact CZ-CD1 3.44Å; F407-L433 HydrophobicContact CZ-CD2 4.5Å; I431-L433 WeakPolarHBondContact CG2-O 3.39Å; I431-L433 PolarHBondContact O-N 2.96Å; L433-S460 VanDerWaalsContact O-CB 3.27Å; L433-S460 WeakPolarHBondContact O-CB 3.41Å; L433-S460 PolarHBondContact O-OG 3.12Å; L433-F461 HydrophobicContact CD2-CD2 4.21Å; L433-F461 HydrophobicContact CD2-CE2 3.93Å
434L98.2Very high95.9Very high4 Ų431.1 Ų31.12%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-124.3120166.6-60.8176.5000109.3I406 I431 V436 V458 A493 V496I406-L434 HydrophobicContact CB-CB 4.45Å; I406-L434 HydrophobicContact CD1-CB 4.48Å; I406-L434 PolarHBondContact N-O 2.66Å; I406-L434 PolarHBondContact O-N 3.02Å; I431-L434 HydrophobicContact CB-CD2 4.33Å; I431-L434 HydrophobicContact CD1-CD2 4.4Å; I431-L434 HydrophobicContact CG2-CD2 3.6Å; I431-L434 HydrophobicContact CG2-CG 4.32Å; L434-V436 HydrophobicContact CB-CG2 4.23Å; L434-V458 HydrophobicContact CB-CG1 4.11Å; L434-V458 HydrophobicContact CD1-CG1 4.42Å; L434-V458 HydrophobicContact CD2-CG1 3.76Å; L434-V458 HydrophobicContact CG-CG1 4.32Å; L434-A493 HydrophobicContact CD1-CB 4.12Å; L434-A493 HydrophobicContact CD2-CB 3.98Å; L434-V496 HydrophobicContact CD1-CB 3.59Å; L434-V496 HydrophobicContact CD1-CG1 3.74Å; L434-V496 HydrophobicContact CD1-CG2 4.1Å
435F98.4Very high95.8Very high8 Ų827.9 Ų27.94%0.03514%0.138CC..EExtended strand (participates in β ladder)trans-83.8124.8159.3171.6-97.5000108.3H117 Y118 N403 Y404 W405 A437 V458 V459H117-F435 HydrophobicContact CB-CE1 3.68Å; H117-F435 HydrophobicContact CB-CZ 3.72Å; H117-F435 AromaticContact CD2-CE1 3.59Å; H117-F435 AromaticContact CG-CE1 3.51Å; Y118-F435 HydrophobicContact CD1-CE2 4.39Å; Y118-F435 HydrophobicContact CD1-CZ 4Å; Y118-F435 AromaticContact CE1-CE2 3.53Å; Y118-F435 HydrophobicContact CE1-CE2 3.53Å; Y118-F435 AromaticContact CE1-CZ 3.55Å; Y118-F435 HydrophobicContact CE1-CZ 3.55Å; N403-F435 HydrophobicContact CB-CD2 4.48Å; N403-F435 HydrophobicContact CB-CE2 3.54Å; N403-F435 HydrophobicContact CB-CZ 3.97Å; N403-F435 WeakPolarHBondContact OD1-CZ 3.28Å; Y404-F435 CarbonylContact O-C 3.54Å; Y404-F435 WeakPolarHBondContact O-CA 3.29Å; W405-F435 AromaticContact CD2-CD2 3.84Å; W405-F435 HydrophobicContact CD2-CD2 3.84Å; W405-F435 AromaticContact CE2-CD2 3.43Å; W405-F435 VanDerWaalsContact CE2-CD2 3.43Å; W405-F435 AromaticContact CE2-CE2 3.86Å; W405-F435 HydrophobicContact CE3-CB 4.33Å; W405-F435 HydrophobicContact CE3-CD2 4.27Å; W405-F435 HydrophobicContact CG-CD2 4.37Å; W405-F435 HydrophobicContact CH2-CB 4.41Å; W405-F435 AromaticContact CH2-CD2 3.94Å; W405-F435 HydrophobicContact CH2-CD2 3.94Å; W405-F435 HydrophobicContact CH2-CG 4.42Å; W405-F435 AromaticContact CZ2-CD2 3.5Å; W405-F435 HydrophobicContact CZ2-CD2 3.5Å; W405-F435 VanDerWaalsContact CZ2-CD2 3.5Å; W405-F435 AromaticContact CZ2-CE2 3.89Å; W405-F435 HydrophobicContact CZ2-CE2 3.89Å; W405-F435 HydrophobicContact CZ2-CG 4.38Å; W405-F435 HydrophobicContact CZ3-CB 4.19Å; W405-F435 HydrophobicContact CZ3-CD2 4.31Å; W405-F435 AromaticContact NE1-CD2 3.74Å; W405-F435 AromaticContact NE1-CE2 3.81Å; F435-A437 HydrophobicContact CE1-CB 3.66Å; F435-A437 HydrophobicContact CZ-CB 3.72Å; F435-V458 CarbonylContact O-C 3.56Å; F435-V458 WeakPolarHBondContact O-CA 3.39Å; F435-V459 HydrophobicContact CB-CB 4.26Å; F435-V459 HydrophobicContact CD1-CB 4.19Å; F435-V459 HydrophobicContact CD1-CG2 4.1Å; F435-V459 PolarHBondContact N-O 3.17Å; F435-V459 PolarHBondContact O-N 3.4Å
436V98.4Very high95.9Very high0 Ų022 Ų220%011%0.11CC..EExtended strand (participates in β ladder)trans-124.4130.8178.2-175.60000109.8Y404 I406 L434 L456 T457 V458 V497 F501Y404-V436 PolarHBondContact N-O 3.07Å; Y404-V436 PolarHBondContact O-N 3.19Å; I406-V436 HydrophobicContact CD1-CB 4.38Å; I406-V436 HydrophobicContact CD1-CG2 3.69Å; L434-V436 HydrophobicContact CB-CG2 4.23Å; V436-L456 HydrophobicContact CG1-CD1 4.43Å; V436-L456 HydrophobicContact CG1-CD2 4.12Å; V436-T457 WeakPolarHBondContact CA-O 3.45Å; V436-V458 HydrophobicContact CG1-CG2 4.37Å; V436-V458 HydrophobicContact CG2-CG1 4.04Å; V436-V458 HydrophobicContact CG2-CG2 4.15Å; V436-V497 HydrophobicContact CG2-CG2 4.11Å; V436-F501 HydrophobicContact CB-CE2 4.24Å; V436-F501 HydrophobicContact CG1-CE2 3.71Å; V436-F501 HydrophobicContact CG1-CZ 4.08Å
437A97.3Very high95.8Very high2 Ų222.6 Ų22.62%0.01711%0.113CC..EExtended strand (participates in β ladder)trans-143.6151.5176.500000111.2N403 F435 P439 L456 T457N403-A437 WeakPolarHBondContact OD1-CB 3.34Å; F435-A437 HydrophobicContact CE1-CB 3.66Å; F435-A437 HydrophobicContact CZ-CB 3.72Å; A437-P439 WeakPolarHBondContact O-CD 3.39Å; A437-L456 WeakPolarHBondContact O-CA 3.36Å; A437-T457 PolarHBondContact N-O 2.84Å; A437-T457 PolarHBondContact O-N 3.41Å
438S97.3Very high95.6Very high4 Ų429.9 Ų29.93%0.02815%0.147CC..  trans-107.6102.5171.6-178.70000110.9S440 A441 K442 T455S438-S440 VanDerWaalsContact C-N 3.26Å; S438-S440 PolarHBondContact O-N 2.84Å; S438-S440 PolarHBondContact OG-OG 3.3Å; S438-A441 PolarHBondContact O-N 3.4Å; S438-A441 WeakPolarHBondContact OG-CB 3.3Å; S438-A441 PolarHBondContact OG-N 2.99Å; S438-A441 VanDerWaalsContact OG-N 3.12Å; S438-K442 VanDerWaalsContact O-CG 3.26Å; S438-K442 WeakPolarHBondContact O-CG 3.46Å; S438-K442 PolarHBondContact O-N 3.48Å; S438-T455 VanDerWaalsContact CA-O 3.27Å; S438-T455 WeakPolarHBondContact CA-O 3.22Å; S438-T455 WeakPolarHBondContact CB-O 3.36Å; S438-T455 PolarHBondContact OG-O 3.09Å
439P95.4Very high95.4Very high4 Ų432.4 Ų32.43%0.02616%0.156CC..Hα-helixtrans-57.1-41.1172.2-24.634.5000112.1Y287 A437 A441 K442 D443Y287-P439 HydrophobicContact CE2-CB 4.42Å; A437-P439 WeakPolarHBondContact O-CD 3.39Å; P439-A441 PolarHBondContact O-N 3.41Å; P439-K442 PolarHBondContact O-N 3.21Å; P439-K442 VanDerWaalsContact O-N 3.16Å; P439-D443 PolarHBondContact O-N 3.5Å; P439-D443 VanDerWaalsContact O-N 3.11Å
440S96.7Very high95.4Very high6 Ų628 Ų284%0.04214%0.139CC..Hα-helixtrans-61-40.4177.561.80000113.2S438 K442 W446 S454 T455S438-S440 VanDerWaalsContact C-N 3.26Å; S438-S440 PolarHBondContact O-N 2.84Å; S438-S440 PolarHBondContact OG-OG 3.3Å; S440-K442 VanDerWaalsContact C-N 3.28Å; S440-K442 PolarHBondContact O-N 3.12Å; S440-W446 WeakPolarHBondContact O-CB 3.35Å; S440-S454 WeakPolarHBondContact OG-CA 3.5Å; S440-T455 PolarHBondContact N-OG1 3.2Å; S440-T455 PolarHBondContact OG-N 3.32Å; S440-T455 PolarHBondContact OG-O 2.99Å
441A96.9Very high95.5Very high3 Ų326.5 Ų26.53%0.02514%0.142CC..Hα-helixtrans-71-25.5178.100000112.8R394 L399 K400 A401 S438 P439R394-A441 HydrophobicContact CB-CB 4.19Å; R394-A441 PolarHBondContact NH1-O 2.88Å; L399-A441 HydrophobicContact CB-CB 4.11Å; K400-A441 WeakPolarHBondContact O-CB 3.49Å; A401-A441 WeakPolarHBondContact CB-O 3.31Å; S438-A441 PolarHBondContact O-N 3.4Å; S438-A441 WeakPolarHBondContact OG-CB 3.3Å; S438-A441 PolarHBondContact OG-N 2.99Å; S438-A441 VanDerWaalsContact OG-N 3.12Å; P439-A441 PolarHBondContact O-N 3.41Å
442K96.8Very high95.6Very high3 Ų327 Ų271%0.01315%0.151CC..Hα-helixtrans-83.4-23.4-179.8-67170.4176.3177.50113.7H117 L145 Y287 A401 N403 S438 P439 S440 P444H117-K442 PolarHBondContact O-NZ 3.49Å; L145-K442 HydrophobicContact CD2-CB 4.09Å; L145-K442 HydrophobicContact CD2-CD 3.97Å; L145-K442 HydrophobicContact CD2-CG 3.69Å; Y287-K442 HydrophobicContact CD1-CB 3.81Å; Y287-K442 HydrophobicContact CD2-CB 4.17Å; Y287-K442 HydrophobicContact CD2-CD 3.87Å; Y287-K442 HydrophobicContact CE1-CB 4.39Å; Y287-K442 HydrophobicContact CE2-CD 4.49Å; Y287-K442 HydrophobicContact CG-CB 3.69Å; Y287-K442 HydrophobicContact CG-CD 4.12Å; A401-K442 HydrophobicContact CB-CG 4.17Å; N403-K442 VanDerWaalsContact OD1-CE 3.29Å; N403-K442 WeakPolarHBondContact OD1-CE 3.2Å; N403-K442 PolarHBondContact OD1-NZ 3.09Å; S438-K442 VanDerWaalsContact O-CG 3.26Å; S438-K442 WeakPolarHBondContact O-CG 3.46Å; S438-K442 PolarHBondContact O-N 3.48Å; P439-K442 PolarHBondContact O-N 3.21Å; P439-K442 VanDerWaalsContact O-N 3.16Å; S440-K442 VanDerWaalsContact C-N 3.28Å; S440-K442 PolarHBondContact O-N 3.12Å; K442-P444 WeakPolarHBondContact O-CD 2.9Å
443D95.9Very high95.8Very high3 Ų330.1 Ų30.12%0.01616%0.164CC..  trans-95.4109.8179.8-174.53.6000110.9Y287 A290 P439 S445 W446 R449Y287-D443 HydrophobicContact CD1-CB 4.4Å; Y287-D443 HydrophobicContact CE1-CB 3.88Å; A290-D443 WeakPolarHBondContact CA-OD2 3.44Å; A290-D443 PolarHBondContact N-OD1 3.44Å; A290-D443 PolarHBondContact N-OD2 3.14Å; A290-D443 VanDerWaalsContact N-OD2 3.16Å; P439-D443 PolarHBondContact O-N 3.5Å; P439-D443 VanDerWaalsContact O-N 3.11Å; D443-S445 PolarHBondContact O-N 3.45Å; D443-S445 VanDerWaalsContact O-N 3.14Å; D443-S445 WeakPolarHBondContact OD1-CB 3.3Å; D443-S445 PolarHBondContact OD1-N 3.14Å; D443-S445 PolarHBondContact OD1-OG 3.42Å; D443-S445 PolarHBondContact OD2-OG 3.23Å; D443-S445 VanDerWaalsContact OD2-OG 3.05Å; D443-W446 HydrophobicContact CB-CB 4.21Å; D443-W446 WeakPolarHBondContact O-CB 3.35Å; D443-W446 PolarHBondContact O-N 3.2Å; D443-R449 IonicContact OD2-CZ 3.18Å; D443-R449 IonicContact OD2-NE 2.86Å; D443-R449 IonicContact OD2-NH2 2.77Å; D443-R449 PolarHBondContact OD2-NH2 2.75Å
444P94.4Very high95.9Very high81 Ų8130 Ų3053%0.52616%0.164SC..THydrogen-bonded Turntrans-66.5-18-179.729.3-35.9000112.6E143 K289 K442 W446E143-P444 HydrophobicContact CB-CG 4.47Å; E143-P444 HydrophobicContact CG-CG 4.16Å; K289-P444 HydrophobicContact CD-CG 4.27Å; K289-P444 HydrophobicContact CG-CG 4.45Å; K442-P444 WeakPolarHBondContact O-CD 2.9Å; P444-W446 VanDerWaalsContact C-N 3.29Å
445S93.2Very high95.9Very high11 Ų1129.9 Ų29.98%0.07716%0.163CC..THydrogen-bonded Turntrans-84.4-1.4174.971.70000113.5D443 R449D443-S445 PolarHBondContact O-N 3.45Å; D443-S445 VanDerWaalsContact O-N 3.14Å; D443-S445 WeakPolarHBondContact OD1-CB 3.3Å; D443-S445 PolarHBondContact OD1-N 3.14Å; D443-S445 PolarHBondContact OD1-OG 3.42Å; D443-S445 PolarHBondContact OD2-OG 3.23Å; D443-S445 VanDerWaalsContact OD2-OG 3.05Å; S445-R449 VanDerWaalsContact O-CG 3.28Å; S445-R449 WeakPolarHBondContact O-CG 3.46Å; S445-R449 PolarHBondContact O-N 3.43Å; S445-R449 PolarHBondContact O-NE 2.8Å; S445-R449 PolarHBondContact OG-NE 3.04Å
446W95.1Very high95.9Very high8 Ų829.5 Ų29.53%0.0316%0.161CC..Hα-helixtrans-64.4-48.9-171.8-175.7-87.4000113.3E111 S440 D443 P444 E448 R449 S450 K453 T455E111-W446 HydrophobicContact CB-CH2 4.03Å; E111-W446 HydrophobicContact CB-CZ3 4.17Å; E111-W446 WeakPolarHBondContact O-CH2 3.24Å; S440-W446 WeakPolarHBondContact O-CB 3.35Å; D443-W446 HydrophobicContact CB-CB 4.21Å; D443-W446 WeakPolarHBondContact O-CB 3.35Å; D443-W446 PolarHBondContact O-N 3.2Å; P444-W446 VanDerWaalsContact C-N 3.29Å; W446-E448 VanDerWaalsContact C-N 3.26Å; W446-E448 PolarHBondContact O-N 2.96Å; W446-R449 CarbonylContact O-C 3.49Å; W446-R449 PolarHBondContact O-N 2.93Å; W446-S450 PolarHBondContact O-N 2.79Å; W446-K453 PolarHBondContact NE1-O 3.04Å; W446-T455 HydrophobicContact CH2-CG2 3.66Å; W446-T455 HydrophobicContact CZ2-CG2 3.7Å
447E92.9Very high95.8Very high82 Ų8229.5 Ų29.538%0.38316%0.161SC..Hα-helixtrans-60.7-37.4-174.6-169.859.6-147.600111.8R449 P451 G452E447-R449 VanDerWaalsContact C-N 3.34Å; E447-R449 PolarHBondContact O-N 3.3Å; E447-P451 VanDerWaalsContact O-CA 3.25Å; E447-P451 WeakPolarHBondContact O-CA 3.29Å; E447-P451 WeakPolarHBondContact O-CB 3.17Å; E447-P451 WeakPolarHBondContact O-CD 3.28Å; E447-P451 WeakPolarHBondContact OE1-CA 3.38Å; E447-G452 PolarHBondContact OE1-N 3.08Å
448E92.3Very high95.9Very high154 Ų15429.5 Ų29.572%0.7216%0.161SC*.Hα-helixtrans-65-37.9174.8-173.7-17817500112W446W446-E448 VanDerWaalsContact C-N 3.26Å; W446-E448 PolarHBondContact O-N 2.96Å
449R92.3Very high95.9Very high56 Ų5630.1 Ų30.121%0.21117%0.165CC..Hα-helixtrans-84.5-28.2-176.5-63.9-178.2-50112.1-9.8113.5Y42 E111 D443 S445 W446 E447Y42-R449 HydrophobicContact CD1-CG 4.02Å; Y42-R449 HydrophobicContact CE1-CG 4.37Å; Y42-R449 HydrophobicContact CG-CG 4.24Å; E111-R449 IonicContact OE1-CZ 2.83Å; E111-R449 IonicContact OE1-NH1 3.23Å; E111-R449 PolarHBondContact OE1-NH1 2.71Å; E111-R449 IonicContact OE1-NH2 2.8Å; D443-R449 IonicContact OD2-CZ 3.18Å; D443-R449 IonicContact OD2-NE 2.86Å; D443-R449 IonicContact OD2-NH2 2.77Å; D443-R449 PolarHBondContact OD2-NH2 2.75Å; S445-R449 VanDerWaalsContact O-CG 3.28Å; S445-R449 WeakPolarHBondContact O-CG 3.46Å; S445-R449 PolarHBondContact O-N 3.43Å; S445-R449 PolarHBondContact O-NE 2.8Å; S445-R449 PolarHBondContact OG-NE 3.04Å; W446-R449 CarbonylContact O-C 3.49Å; W446-R449 PolarHBondContact O-N 2.93Å; E447-R449 VanDerWaalsContact C-N 3.34Å; E447-R449 PolarHBondContact O-N 3.3Å
450S94.5Very high96Very high18 Ų1830.1 Ų30.113%0.12617%0.165CC..SBendtrans-148.164.2-170.6-65.50000110.6W446 K453W446-S450 PolarHBondContact O-N 2.79Å; S450-K453 PolarHBondContact O-N 3.01Å
451P95.5Very high95.9Very high90 Ų9030.2 Ų30.258%0.58416%0.164SC*.THydrogen-bonded Turntrans-61.1139.8-172.524.4-34.7000112.1E447 K453E447-P451 VanDerWaalsContact O-CA 3.25Å; E447-P451 WeakPolarHBondContact O-CA 3.29Å; E447-P451 WeakPolarHBondContact O-CB 3.17Å; E447-P451 WeakPolarHBondContact O-CD 3.28Å; E447-P451 WeakPolarHBondContact OE1-CA 3.38Å; P451-K453 PolarHBondContact O-N 3.31Å
452G96.4Very high95.9Very high24 Ų2430.1 Ų30.125%0.24716%0.163CC..THydrogen-bonded Turntrans65.417.4179.300000114.9N391 G392 E447N391-G452 PolarHBondContact OD1-O 2.93Å; G392-G452 CarbonylContact C-O 3.58Å; G392-G452 WeakPolarHBondContact CA-O 3.27Å; G392-G452 PolarHBondContact N-O 3.5Å; E447-G452 PolarHBondContact OE1-N 3.08Å
453K97.6Very high95.9Very high68 Ų6832.6 Ų32.630%0.29617%0.174SC..EExtended strand (participates in β ladder)trans-123.5145179.1-67-176-176-175.30110.8G109 F110 L390 G392 W446 S450 P451G109-K453 PolarHBondContact O-NZ 3.08Å; F110-K453 HydrophobicContact CD1-CB 4.27Å; F110-K453 HydrophobicContact CD1-CD 4.36Å; F110-K453 HydrophobicContact CE1-CB 3.76Å; F110-K453 HydrophobicContact CE1-CD 3.93Å; F110-K453 HydrophobicContact CE1-CG 3.96Å; F110-K453 HydrophobicContact CZ-CD 4.18Å; F110-K453 HydrophobicContact CZ-CG 4.33Å; L390-K453 WeakPolarHBondContact O-CA 3.41Å; G392-K453 CarbonylContact O-C 3.3Å; W446-K453 PolarHBondContact NE1-O 3.04Å; S450-K453 PolarHBondContact O-N 3.01Å; P451-K453 PolarHBondContact O-N 3.31Å
454S98.1Very high95.9Very high2 Ų233.9 Ų33.91%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-131.3160.5172.1-65.90000111.6F110 L390 G392 S440F110-S454 WeakPolarHBondContact CE1-O 3.31Å; L390-S454 PolarHBondContact N-O 3.45Å; L390-S454 PolarHBondContact O-N 3.14Å; G392-S454 WeakPolarHBondContact O-CB 3.38Å; G392-S454 PolarHBondContact O-N 3.35Å; G392-S454 PolarHBondContact O-OG 2.93Å; S440-S454 WeakPolarHBondContact OG-CA 3.5Å
455T98Very high96Very high0 Ų033.4 Ų33.40%018%0.177CC..EExtended strand (participates in β ladder)trans-127.7144.3175.355.10000111F110 F112 I388 S438 S440 W446F110-T455 HydrophobicContact CB-CG2 4Å; F110-T455 HydrophobicContact CD1-CG2 3.9Å; F110-T455 HydrophobicContact CG-CG2 4.41Å; F112-T455 HydrophobicContact CD1-CG2 4Å; F112-T455 HydrophobicContact CE1-CG2 3.55Å; F112-T455 HydrophobicContact CZ-CG2 3.97Å; I388-T455 WeakPolarHBondContact O-CA 3.4Å; S438-T455 VanDerWaalsContact CA-O 3.27Å; S438-T455 WeakPolarHBondContact CA-O 3.22Å; S438-T455 WeakPolarHBondContact CB-O 3.36Å; S438-T455 PolarHBondContact OG-O 3.09Å; S440-T455 PolarHBondContact N-OG1 3.2Å; S440-T455 PolarHBondContact OG-N 3.32Å; S440-T455 PolarHBondContact OG-O 2.99Å; W446-T455 HydrophobicContact CH2-CG2 3.66Å; W446-T455 HydrophobicContact CZ2-CG2 3.7Å
456L98.1Very high96.2Very high1 Ų133.6 Ų33.61%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-120.9142.1163.3-70.4179.6000110.1I388 L390 L399 V436 A437 V497 I504I388-L456 HydrophobicContact CB-CB 4.16Å; I388-L456 HydrophobicContact CD1-CB 4.44Å; I388-L456 PolarHBondContact N-O 2.82Å; I388-L456 PolarHBondContact O-N 3.37Å; L390-L456 HydrophobicContact CD1-CD1 4.05Å; L390-L456 HydrophobicContact CD1-CG 3.99Å; L399-L456 HydrophobicContact CD1-CD2 4.47Å; L399-L456 HydrophobicContact CD2-CD2 3.85Å; V436-L456 HydrophobicContact CG1-CD1 4.43Å; V436-L456 HydrophobicContact CG1-CD2 4.12Å; A437-L456 WeakPolarHBondContact O-CA 3.36Å; L456-V497 HydrophobicContact CD1-CG1 3.84Å; L456-I504 HydrophobicContact CD1-CD1 3.46Å; L456-I504 VanDerWaalsContact CD1-CD1 3.46Å; L456-I504 HydrophobicContact CG-CD1 4.49Å
457T97.4Very high96.3Very high0 Ų033.2 Ų33.20%018%0.175CC..EExtended strand (participates in β ladder)trans-115129.1165.1-53.50000108.1I386 F387 V436 A437 V459I386-T457 WeakPolarHBondContact O-CA 3.28Å; F387-T457 HydrophobicContact CD1-CG2 4.18Å; F387-T457 HydrophobicContact CE1-CG2 4.03Å; V436-T457 WeakPolarHBondContact CA-O 3.45Å; A437-T457 PolarHBondContact N-O 2.84Å; A437-T457 PolarHBondContact O-N 3.41Å; T457-V459 HydrophobicContact CG2-CG2 4.03Å
458V98.3Very high96.4Very high2 Ų232.6 Ų32.61%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-118.1128.8176.9-173.60000108.5N385 I386 I388 L434 F435 V436 A493 V497N385-V458 CarbonylContact C-O 3.17Å; N385-V458 WeakPolarHBondContact CA-O 3.27Å; I386-V458 HydrophobicContact CB-CB 4.13Å; I386-V458 PolarHBondContact N-O 2.78Å; I386-V458 PolarHBondContact O-N 3.01Å; I388-V458 HydrophobicContact CD1-CG2 4Å; L434-V458 HydrophobicContact CB-CG1 4.11Å; L434-V458 HydrophobicContact CD1-CG1 4.42Å; L434-V458 HydrophobicContact CD2-CG1 3.76Å; L434-V458 HydrophobicContact CG-CG1 4.32Å; F435-V458 CarbonylContact O-C 3.56Å; F435-V458 WeakPolarHBondContact O-CA 3.39Å; V436-V458 HydrophobicContact CG1-CG2 4.37Å; V436-V458 HydrophobicContact CG2-CG1 4.04Å; V436-V458 HydrophobicContact CG2-CG2 4.15Å; V458-A493 HydrophobicContact CG1-CB 4.5Å; V458-V497 HydrophobicContact CG2-CG2 3.89Å
459V97.8Very high96.6Very high17 Ų1730.8 Ų30.810%0.10316%0.164CC..EExtended strand (participates in β ladder)trans-126137.1-177.2-1730000110.2L384 N385 F435 T457 M531L384-V459 WeakPolarHBondContact O-CA 3.47Å; N385-V459 WeakPolarHBondContact OD1-CG2 3.37Å; F435-V459 HydrophobicContact CB-CB 4.26Å; F435-V459 HydrophobicContact CD1-CB 4.19Å; F435-V459 HydrophobicContact CD1-CG2 4.1Å; F435-V459 PolarHBondContact N-O 3.17Å; F435-V459 PolarHBondContact O-N 3.4Å; T457-V459 HydrophobicContact CG2-CG2 4.03Å; V459-M531 HydrophobicContact CG1-SD 3.87Å
460S97Very high96.8Very high4 Ų429.7 Ų29.73%0.02816%0.159CC..EExtended strand (participates in β ladder)trans-144.2175.9171.9-1620000111L384 I431 L433L384-S460 PolarHBondContact N-O 2.98Å; L384-S460 PolarHBondContact O-N 2.65Å; I431-S460 WeakPolarHBondContact CG2-OG 3.23Å; L433-S460 VanDerWaalsContact O-CB 3.27Å; L433-S460 WeakPolarHBondContact O-CB 3.41Å; L433-S460 PolarHBondContact O-OG 3.12Å
461F95.9Very high96.8Very high8 Ų833.4 Ų33.44%0.03517%0.173CC..EExtended strand (participates in β ladder)trans-86.2145.6172.4-67.8-69000110.9F259 E381 G382 M416 Y419 L433 M531F259-F461 HydrophobicContact CD2-CE2 4.47Å; F259-F461 AromaticContact CE2-CE2 3.9Å; F259-F461 HydrophobicContact CE2-CE2 3.9Å; E381-F461 HydrophobicContact CB-CD1 3.76Å; E381-F461 HydrophobicContact CB-CE1 4Å; G382-F461 WeakPolarHBondContact O-CA 3.3Å; M416-F461 HydrophobicContact CE-CB 4.09Å; M416-F461 HydrophobicContact CE-CD2 3.48Å; M416-F461 VanDerWaalsContact CE-CD2 3.48Å; M416-F461 HydrophobicContact CE-CE2 4.24Å; M416-F461 HydrophobicContact CE-CG 4.04Å; M416-F461 HydrophobicContact SD-CD2 4.35Å; Y419-F461 HydrophobicContact CE1-CB 4.38Å; Y419-F461 WeakPolarHBondContact CE1-O 3.38Å; Y419-F461 PolarHBondContact OH-O 3Å; L433-F461 HydrophobicContact CD2-CD2 4.21Å; L433-F461 HydrophobicContact CD2-CE2 3.93Å; F461-M531 HydrophobicContact CD1-CE 3.44Å; F461-M531 VanDerWaalsContact CD1-CE 3.44Å; F461-M531 HydrophobicContact CE1-CE 3.23Å; F461-M531 HydrophobicContact CG-CE 4.48Å; F461-M531 HydrophobicContact CZ-CE 4.16Å
462A96.6Very high96.6Very high0 Ų035.9 Ų35.90%018%0.182CC..  trans-150.8140.3169.100000111.1G382 L384 W466 F467 P517G382-A462 CarbonylContact C-O 3.51Å; G382-A462 VanDerWaalsContact C-O 3.27Å; G382-A462 VanDerWaalsContact CA-O 3.27Å; G382-A462 WeakPolarHBondContact CA-O 3.44Å; G382-A462 PolarHBondContact O-N 3.36Å; L384-A462 HydrophobicContact CB-CB 3.98Å; A462-W466 HydrophobicContact CB-CE3 4.01Å; A462-W466 HydrophobicContact CB-CZ3 3.94Å; A462-F467 HydrophobicContact CB-CE2 4.04Å; A462-P517 HydrophobicContact CB-CG 3.98Å; A462-P517 WeakPolarHBondContact O-CG 3.09Å
463K95.9Very high96.3Very high56 Ų5636.3 Ų36.324%0.24319%0.186CC..  trans-72.9138.5179.3-69.1-173.5161.8-175.70111.2L420 S465 W466 F467L420-K463 HydrophobicContact CD2-CD 4.46Å; L420-K463 HydrophobicContact CD2-CG 3.96Å; L420-K463 WeakPolarHBondContact O-CE 3.38Å; L420-K463 PolarHBondContact O-NZ 2.93Å; K463-S465 VanDerWaalsContact C-N 3.27Å; K463-S465 PolarHBondContact O-N 3.06Å; K463-W466 HydrophobicContact CB-CD2 3.69Å; K463-W466 HydrophobicContact CB-CE3 4.17Å; K463-W466 HydrophobicContact CB-CG 3.92Å; K463-W466 HydrophobicContact CB-CZ2 4.21Å; K463-W466 HydrophobicContact CD-CZ2 3.99Å; K463-W466 HydrophobicContact CG-CD2 4.33Å; K463-W466 HydrophobicContact CG-CH2 4.36Å; K463-W466 HydrophobicContact CG-CZ2 3.92Å; K463-W466 VanDerWaalsContact N-CE3 3.34Å; K463-W466 WeakPolarHBondContact O-CB 3.31Å; K463-W466 PolarHBondContact O-N 3.09Å; K463-F467 WeakPolarHBondContact O-CD2 3.5Å
464Y96.7Very high95.9Very high30 Ų3041.2 Ų41.212%0.11821%0.207CC..G310 helixtrans-54.3-44.7170.3-179.6-96000112.4W466 F467 E468 P517 I518 T521 K528Y464-W466 PolarHBondContact O-N 3.35Å; Y464-W466 VanDerWaalsContact O-N 3.14Å; Y464-F467 PolarHBondContact O-N 3.23Å; Y464-E468 HydrophobicContact CD1-CB 4.12Å; Y464-E468 HydrophobicContact CD1-CG 4.35Å; Y464-E468 HydrophobicContact CE1-CB 3.77Å; Y464-E468 VanDerWaalsContact CE1-CD 3.5Å; Y464-E468 HydrophobicContact CE1-CG 3.61Å; Y464-E468 PolarHBondContact O-N 3.42Å; Y464-E468 VanDerWaalsContact O-N 3.12Å; Y464-P517 HydrophobicContact CD2-CB 4.27Å; Y464-I518 HydrophobicContact CD2-CG2 4.03Å; Y464-I518 HydrophobicContact CE2-CG2 3.53Å; Y464-T521 HydrophobicContact CD2-CG2 4.44Å; Y464-T521 HydrophobicContact CE2-CG2 3.76Å; Y464-K528 WeakPolarHBondContact CB-O 3.46Å; Y464-K528 HydrophobicContact CD1-CD 3.72Å; Y464-K528 HydrophobicContact CD2-CD 4.37Å; Y464-K528 HydrophobicContact CE1-CD 4.14Å; Y464-K528 HydrophobicContact CG-CB 4.4Å; Y464-K528 HydrophobicContact CG-CD 3.85Å
465S96.8Very high95.4Very high70 Ų7042.8 Ų42.849%0.4922%0.217SC..G310 helixtrans-60.7-24.1-176.754.40000113.7K463 F467K463-S465 VanDerWaalsContact C-N 3.27Å; K463-S465 PolarHBondContact O-N 3.06Å; S465-F467 PolarHBondContact O-N 3.41Å
466W97.2Very high94.8Very high16 Ų1648.5 Ų48.56%0.06125%0.252CS..G310 helixtrans-66.3-23175.5-63.3-19.7000113.2Y419 D422 R424 A427 A462 K463 Y464 F489Y419-W466 HydrophobicContact CD1-CH2 4.26Å; Y419-W466 HydrophobicContact CD2-CH2 4.39Å; Y419-W466 AromaticContact CE1-CH2 3.71Å; Y419-W466 HydrophobicContact CE1-CH2 3.71Å; Y419-W466 HydrophobicContact CE1-CZ3 4.16Å; Y419-W466 AromaticContact CE2-CH2 3.87Å; Y419-W466 HydrophobicContact CE2-CH2 3.87Å; Y419-W466 HydrophobicContact CE2-CZ3 4.28Å; Y419-W466 AromaticContact CZ-CH2 3.5Å; Y419-W466 AromaticContact CZ-CZ3 3.7Å; Y419-W466 WeakPolarHBondContact OH-CZ3 3.36Å; D422-W466 PolarHBondContact O-NE1 2.71Å; R424-W466 HydrophobicContact CB-CB 3.74Å; R424-W466 HydrophobicContact CB-CD2 4.3Å; R424-W466 HydrophobicContact CB-CG 3.7Å; R424-W466 WeakPolarHBondContact CD-O 3.24Å; R424-W466 PolarHBondContact NH1-O 3.03Å; A427-W466 HydrophobicContact CB-CH2 3.44Å; A427-W466 VanDerWaalsContact CB-CH2 3.44Å; A427-W466 HydrophobicContact CB-CZ2 3.58Å; A427-W466 HydrophobicContact CB-CZ3 3.95Å; A462-W466 HydrophobicContact CB-CE3 4.01Å; A462-W466 HydrophobicContact CB-CZ3 3.94Å; K463-W466 HydrophobicContact CB-CD2 3.69Å; K463-W466 HydrophobicContact CB-CE3 4.17Å; K463-W466 HydrophobicContact CB-CG 3.92Å; K463-W466 HydrophobicContact CB-CZ2 4.21Å; K463-W466 HydrophobicContact CD-CZ2 3.99Å; K463-W466 HydrophobicContact CG-CD2 4.33Å; K463-W466 HydrophobicContact CG-CH2 4.36Å; K463-W466 HydrophobicContact CG-CZ2 3.92Å; K463-W466 VanDerWaalsContact N-CE3 3.34Å; K463-W466 WeakPolarHBondContact O-CB 3.31Å; K463-W466 PolarHBondContact O-N 3.09Å; Y464-W466 PolarHBondContact O-N 3.35Å; Y464-W466 VanDerWaalsContact O-N 3.14Å; W466-F489 AromaticContact CE3-CZ 3.92Å; W466-F489 HydrophobicContact CE3-CZ 3.92Å; W466-F489 HydrophobicContact CZ3-CE1 4.39Å; W466-F489 HydrophobicContact CZ3-CZ 4Å
467F97.1Very high94.3Very high0 Ų053.5 Ų53.50%028%0.279CS..THydrogen-bonded Turntrans-119.60.4-176.8-52.8-86.9000113.6A462 K463 Y464 S465 E469 W470 Y482 L485 F489 T516 P517 I518A462-F467 HydrophobicContact CB-CE2 4.04Å; K463-F467 WeakPolarHBondContact O-CD2 3.5Å; Y464-F467 PolarHBondContact O-N 3.23Å; S465-F467 PolarHBondContact O-N 3.41Å; F467-E469 PolarHBondContact O-N 2.79Å; F467-E469 VanDerWaalsContact O-N 3.14Å; F467-W470 HydrophobicContact CB-CE3 4.3Å; F467-W470 HydrophobicContact CD1-CZ3 4.46Å; F467-W470 PolarHBondContact O-N 2.88Å; F467-W470 VanDerWaalsContact O-N 3.08Å; F467-Y482 HydrophobicContact CD1-CD2 4.11Å; F467-Y482 AromaticContact CD1-CE2 3.75Å; F467-Y482 HydrophobicContact CD1-CE2 3.75Å; F467-Y482 HydrophobicContact CE1-CE2 4.45Å; F467-L485 HydrophobicContact CD1-CD2 4.05Å; F467-L485 HydrophobicContact CE1-CD2 3.8Å; F467-L485 HydrophobicContact CE1-CG 4.22Å; F467-F489 HydrophobicContact CE1-CE2 4.27Å; F467-F489 HydrophobicContact CZ-CD2 4.11Å; F467-F489 AromaticContact CZ-CE2 3.66Å; F467-F489 HydrophobicContact CZ-CE2 3.66Å; F467-F489 HydrophobicContact CZ-CZ 4.3Å; F467-T516 HydrophobicContact CD1-CG2 3.9Å; F467-T516 HydrophobicContact CE1-CG2 3.51Å; F467-T516 HydrophobicContact CE2-CG2 4.46Å; F467-T516 HydrophobicContact CZ-CG2 3.83Å; F467-P517 HydrophobicContact CD2-CG 4.14Å; F467-P517 HydrophobicContact CE2-CG 4.26Å; F467-I518 HydrophobicContact CB-CD1 3.9Å; F467-I518 HydrophobicContact CB-CG1 3.81Å; F467-I518 HydrophobicContact CB-CG2 4.01Å; F467-I518 WeakPolarHBondContact O-CD1 3.36Å
468E96Very high94.1Very high69 Ų6954 Ų5432%0.32228%0.28SS..G310 helixtrans-59.2-31.9-168176.8162.1-153.900113.6Y464 W470 K471Y464-E468 HydrophobicContact CD1-CB 4.12Å; Y464-E468 HydrophobicContact CD1-CG 4.35Å; Y464-E468 HydrophobicContact CE1-CB 3.77Å; Y464-E468 VanDerWaalsContact CE1-CD 3.5Å; Y464-E468 HydrophobicContact CE1-CG 3.61Å; Y464-E468 PolarHBondContact O-N 3.42Å; Y464-E468 VanDerWaalsContact O-N 3.12Å; E468-W470 PolarHBondContact O-N 3.41Å; E468-W470 VanDerWaalsContact O-N 3.14Å; E468-K471 HydrophobicContact CG-CD 4.23Å; E468-K471 VanDerWaalsContact O-CB 3.27Å; E468-K471 WeakPolarHBondContact O-CB 3.19Å; E468-K471 VanDerWaalsContact O-CG 3.27Å; E468-K471 WeakPolarHBondContact O-CG 3.25Å; E468-K471 PolarHBondContact O-N 3.41Å; E468-K471 VanDerWaalsContact O-N 3.07Å
469E95.9Very high93.8Very high116 Ų11655.3 Ų55.354%0.54230%0.295SS..G310 helixtrans-62.4-21.6179.870.9-177.6142.100113.7R424 F467R424-E469 IonicContact CZ-OE1 3.21Å; R424-E469 IonicContact NH1-OE1 2.63Å; R424-E469 PolarHBondContact NH1-OE1 3.39Å; R424-E469 IonicContact NH2-OE1 3.6Å; R424-E469 PolarHBondContact NH2-OE1 3.26Å; F467-E469 PolarHBondContact O-N 2.79Å; F467-E469 VanDerWaalsContact O-N 3.14Å
470W96.2Very high93.7Very high32 Ų3259.2 Ų59.212%0.12132%0.321CS..G310 helixtrans-100.613.4177.8-55.5-75.2000113.8F467 E468 D472 G473 R478 D481 Y482 L485 I518F467-W470 HydrophobicContact CB-CE3 4.3Å; F467-W470 HydrophobicContact CD1-CZ3 4.46Å; F467-W470 PolarHBondContact O-N 2.88Å; F467-W470 VanDerWaalsContact O-N 3.08Å; E468-W470 PolarHBondContact O-N 3.41Å; E468-W470 VanDerWaalsContact O-N 3.14Å; W470-D472 VanDerWaalsContact C-N 3.29Å; W470-D472 PolarHBondContact O-N 2.86Å; W470-G473 PolarHBondContact O-N 2.82Å; W470-G473 VanDerWaalsContact O-N 3.15Å; W470-R478 HydrophobicContact CB-CG 4.34Å; W470-R478 PolarHBondContact O-NE 3.13Å; W470-D481 HydrophobicContact CZ2-CB 3.83Å; W470-Y482 HydrophobicContact CB-CD2 4.25Å; W470-Y482 AromaticContact CD2-CD2 3.85Å; W470-Y482 HydrophobicContact CD2-CD2 3.85Å; W470-Y482 HydrophobicContact CD2-CG 4.22Å; W470-Y482 AromaticContact CE3-CD2 3.67Å; W470-Y482 HydrophobicContact CE3-CD2 3.67Å; W470-Y482 HydrophobicContact CE3-CG 4.43Å; W470-Y482 HydrophobicContact CG-CD2 4.12Å; W470-Y482 HydrophobicContact CG-CG 4.31Å; W470-Y482 HydrophobicContact CZ3-CD2 4.28Å; W470-L485 HydrophobicContact CH2-CD2 4.11Å; W470-L485 HydrophobicContact CZ3-CD2 4.01Å; W470-I518 HydrophobicContact CB-CD1 3.83Å
471K94.4Very high93.7Very high96 Ų9663.9 Ų63.942%0.41735%0.345SS..THydrogen-bonded Turntrans-59.6-35.7-176.271.3-174.8-179.9-177.40113.6E468 G473 I518E468-K471 HydrophobicContact CG-CD 4.23Å; E468-K471 VanDerWaalsContact O-CB 3.27Å; E468-K471 WeakPolarHBondContact O-CB 3.19Å; E468-K471 VanDerWaalsContact O-CG 3.27Å; E468-K471 WeakPolarHBondContact O-CG 3.25Å; E468-K471 PolarHBondContact O-N 3.41Å; E468-K471 VanDerWaalsContact O-N 3.07Å; K471-G473 VanDerWaalsContact C-N 3.34Å; K471-I518 HydrophobicContact CB-CG2 4.44Å
472D91.9Very high93.7Very high143 Ų14363.9 Ų63.977%0.76535%0.345SS*.THydrogen-bonded Turntrans-88.9-4.9-177.7-59.1-51.5000112.4W470W470-D472 VanDerWaalsContact C-N 3.29Å; W470-D472 PolarHBondContact O-N 2.86Å
473G89.3Confident93.6Very high33 Ų3368.5 Ų68.534%0.3437%0.365SS..SBendtrans-71.7146174.900000112.2W470 K471 V475W470-G473 PolarHBondContact O-N 2.82Å; W470-G473 VanDerWaalsContact O-N 3.15Å; K471-G473 VanDerWaalsContact C-N 3.34Å; G473-V475 PolarHBondContact O-N 3.46Å
474K89.4Confident93.7Very high170 Ų17072.3 Ų72.374%0.73938%0.384SS*.  trans-57.9127.5173.2-68.7-176.4-179.9178.30109.7T476 N477 R478K474-T476 PolarHBondContact O-N 2.89Å; K474-N477 CarbonylContact O-C 3.56Å; K474-N477 VanDerWaalsContact O-C 3.3Å; K474-N477 PolarHBondContact O-N 2.81Å; K474-R478 PolarHBondContact O-N 2.8Å
475V87.8Confident93.7Very high35 Ų3571.8 Ų71.821%0.21238%0.383CS..THydrogen-bonded Turntrans-53-32.6-176.269.40000113.4G473 T519 H522 Y523G473-V475 PolarHBondContact O-N 3.46Å; V475-T519 HydrophobicContact CG2-CG2 4.4Å; V475-H522 HydrophobicContact CB-CB 4.5Å; V475-H522 HydrophobicContact CG2-CB 4.3Å; V475-Y523 HydrophobicContact CG2-CE2 3.94Å
476T85.5Confident93.7Very high120 Ų12069.9 Ų69.974%0.73637%0.366SS*.THydrogen-bonded Turntrans-82.6-14-179.853.80000114.3K474K474-T476 PolarHBondContact O-N 2.89Å
477N87.1Confident93.7Very high106 Ų10673 Ų7357%0.56738%0.381SS*.  trans-154.366.3-175.7-166.535.7000112.4K474 K483K474-N477 CarbonylContact O-C 3.56Å; K474-N477 VanDerWaalsContact O-C 3.3Å; K474-N477 PolarHBondContact O-N 2.81Å; N477-K483 PolarHBondContact OD1-NZ 3.34Å
478R92.7Very high93.7Very high10 Ų1075.1 Ų75.14%0.03839%0.394CS..  trans-73.9155.5164.6-65.5173.6-179.7139-0.7109.8W470 K474 Y482 K483 I518 T519W470-R478 HydrophobicContact CB-CG 4.34Å; W470-R478 PolarHBondContact O-NE 3.13Å; K474-R478 PolarHBondContact O-N 2.8Å; R478-Y482 HydrophobicContact CB-CD1 3.43Å; R478-Y482 VanDerWaalsContact CB-CD1 3.43Å; R478-Y482 HydrophobicContact CB-CD2 4.48Å; R478-Y482 HydrophobicContact CB-CE1 4.02Å; R478-Y482 HydrophobicContact CB-CG 3.68Å; R478-Y482 HydrophobicContact CG-CD1 4.25Å; R478-Y482 HydrophobicContact CG-CE1 4.4Å; R478-Y482 HydrophobicContact CG-CG 4.47Å; R478-Y482 PolarHBondContact NH1-OH 3.31Å; R478-K483 VanDerWaalsContact O-CE 3.23Å; R478-K483 WeakPolarHBondContact O-CE 3.41Å; R478-I518 VanDerWaalsContact NE-CD1 3.31Å; R478-I518 PolarHBondContact NH2-O 3.19Å; R478-T519 PolarHBondContact NH1-OG1 3.3Å
479G92.8Very high93.8Very high31 Ų3171.8 Ų71.832%0.3238%0.378SS..  trans-59170.9-171.500000115.1D481 Y482 K483G479-D481 VanDerWaalsContact C-N 3.35Å; G479-D481 PolarHBondContact O-N 3.16Å; G479-Y482 WeakPolarHBondContact O-CB 3.42Å; G479-Y482 PolarHBondContact O-N 2.9Å; G479-K483 PolarHBondContact O-N 3.21Å
480P95.5Very high94Very high99 Ų9966.4 Ų66.464%0.64335%0.353SS*.Hα-helixtrans-56-44.8-177.922.2-32.3000112.8Y482 K483 E484P480-Y482 VanDerWaalsContact C-N 3.29Å; P480-Y482 PolarHBondContact O-N 3.17Å; P480-K483 CarbonylContact O-C 3.47Å; P480-K483 WeakPolarHBondContact O-CA 3.41Å; P480-K483 WeakPolarHBondContact O-CB 3.44Å; P480-K483 PolarHBondContact O-N 3.33Å; P480-E484 PolarHBondContact O-N 3.37Å
481D96Very high94Very high101 Ų10167.8 Ų67.854%0.5436%0.363SS..Hα-helixtrans-60.4-36.8-178.4-51-9000112.8W470 G479 E484 L485W470-D481 HydrophobicContact CZ2-CB 3.83Å; G479-D481 VanDerWaalsContact C-N 3.35Å; G479-D481 PolarHBondContact O-N 3.16Å; D481-E484 PolarHBondContact O-N 3.02Å; D481-L485 WeakPolarHBondContact O-CB 3.43Å; D481-L485 PolarHBondContact O-N 3.15Å
482Y96.4Very high94.2Very high8 Ų864.3 Ų64.33%0.03135%0.351CS..Hα-helixtrans-64.3-43.2172.8173.3-96.4000111.5F467 W470 R478 G479 P480 E484 K486 T516 I518 T519F467-Y482 HydrophobicContact CD1-CD2 4.11Å; F467-Y482 AromaticContact CD1-CE2 3.75Å; F467-Y482 HydrophobicContact CD1-CE2 3.75Å; F467-Y482 HydrophobicContact CE1-CE2 4.45Å; W470-Y482 HydrophobicContact CB-CD2 4.25Å; W470-Y482 AromaticContact CD2-CD2 3.85Å; W470-Y482 HydrophobicContact CD2-CD2 3.85Å; W470-Y482 HydrophobicContact CD2-CG 4.22Å; W470-Y482 AromaticContact CE3-CD2 3.67Å; W470-Y482 HydrophobicContact CE3-CD2 3.67Å; W470-Y482 HydrophobicContact CE3-CG 4.43Å; W470-Y482 HydrophobicContact CG-CD2 4.12Å; W470-Y482 HydrophobicContact CG-CG 4.31Å; W470-Y482 HydrophobicContact CZ3-CD2 4.28Å; R478-Y482 HydrophobicContact CB-CD1 3.43Å; R478-Y482 VanDerWaalsContact CB-CD1 3.43Å; R478-Y482 HydrophobicContact CB-CD2 4.48Å; R478-Y482 HydrophobicContact CB-CE1 4.02Å; R478-Y482 HydrophobicContact CB-CG 3.68Å; R478-Y482 HydrophobicContact CG-CD1 4.25Å; R478-Y482 HydrophobicContact CG-CE1 4.4Å; R478-Y482 HydrophobicContact CG-CG 4.47Å; R478-Y482 PolarHBondContact NH1-OH 3.31Å; G479-Y482 WeakPolarHBondContact O-CB 3.42Å; G479-Y482 PolarHBondContact O-N 2.9Å; P480-Y482 VanDerWaalsContact C-N 3.29Å; P480-Y482 PolarHBondContact O-N 3.17Å; Y482-E484 VanDerWaalsContact C-N 3.34Å; Y482-K486 HydrophobicContact CE1-CD 4.16Å; Y482-K486 WeakPolarHBondContact O-CB 3.5Å; Y482-K486 PolarHBondContact O-N 3.3Å; Y482-T516 HydrophobicContact CE2-CG2 4.02Å; Y482-T516 VanDerWaalsContact OH-CG2 3.31Å; Y482-T516 WeakPolarHBondContact OH-CG2 3.26Å; Y482-T516 PolarHBondContact OH-OG1 3.2Å; Y482-I518 HydrophobicContact CD2-CD1 4.18Å; Y482-I518 HydrophobicContact CE2-CD1 3.65Å; Y482-I518 HydrophobicContact CE2-CG1 4.16Å; Y482-T519 PolarHBondContact OH-OG1 3.14Å
483K95.9Very high94.5Very high98 Ų9857.6 Ų57.643%0.42632%0.315SS..Hα-helixtrans-66.5-40.1-179.7-67.8176.4-178.9166.20110.5N477 R478 G479 P480 K486 Q487N477-K483 PolarHBondContact OD1-NZ 3.34Å; R478-K483 VanDerWaalsContact O-CE 3.23Å; R478-K483 WeakPolarHBondContact O-CE 3.41Å; G479-K483 PolarHBondContact O-N 3.21Å; P480-K483 CarbonylContact O-C 3.47Å; P480-K483 WeakPolarHBondContact O-CA 3.41Å; P480-K483 WeakPolarHBondContact O-CB 3.44Å; P480-K483 PolarHBondContact O-N 3.33Å; K483-K486 PolarHBondContact O-N 2.89Å; K483-Q487 WeakPolarHBondContact O-CB 3.37Å; K483-Q487 PolarHBondContact O-N 3.16Å
484E96.6Very high94.8Very high136 Ų13656.6 Ų56.664%0.63630%0.302SS*.Hα-helixtrans-63.4-52.4175.8-174.4176-178.500111.5P480 D481 Y482 K486 Q487 V488P480-E484 PolarHBondContact O-N 3.37Å; D481-E484 PolarHBondContact O-N 3.02Å; Y482-E484 VanDerWaalsContact C-N 3.34Å; E484-K486 VanDerWaalsContact C-N 3.28Å; E484-K486 PolarHBondContact O-N 2.98Å; E484-Q487 WeakPolarHBondContact O-CA 3.4Å; E484-Q487 WeakPolarHBondContact O-CB 3.37Å; E484-Q487 PolarHBondContact O-N 3.01Å; E484-V488 WeakPolarHBondContact O-CG2 3.35Å; E484-V488 PolarHBondContact O-N 3.07Å
485L96.8Very high95.2Very high18 Ų1852.6 Ų52.69%0.09429%0.289CS..Hα-helixtrans-56.4-44.9176.4177.362.7000111.6R424 F467 W470 D481 Q487 V488 F489R424-L485 HydrophobicContact CB-CD1 4.44Å; R424-L485 HydrophobicContact CB-CD2 4.47Å; R424-L485 HydrophobicContact CG-CD1 4.44Å; R424-L485 HydrophobicContact CG-CD2 4.42Å; F467-L485 HydrophobicContact CD1-CD2 4.05Å; F467-L485 HydrophobicContact CE1-CD2 3.8Å; F467-L485 HydrophobicContact CE1-CG 4.22Å; W470-L485 HydrophobicContact CH2-CD2 4.11Å; W470-L485 HydrophobicContact CZ3-CD2 4.01Å; D481-L485 WeakPolarHBondContact O-CB 3.43Å; D481-L485 PolarHBondContact O-N 3.15Å; L485-Q487 VanDerWaalsContact C-N 3.28Å; L485-Q487 PolarHBondContact O-N 2.91Å; L485-V488 PolarHBondContact O-N 3.16Å; L485-F489 HydrophobicContact CD1-CD2 4.28Å; L485-F489 HydrophobicContact CD1-CE2 3.94Å; L485-F489 HydrophobicContact CG-CD2 4.28Å; L485-F489 HydrophobicContact CG-CE2 4.12Å; L485-F489 WeakPolarHBondContact O-CD2 3.41Å; L485-F489 PolarHBondContact O-N 3.31Å
486K96.5Very high95.6Very high30 Ų3052.7 Ų52.713%0.1329%0.289CS..Hα-helixtrans-60.5-39.6176.1-172.5179.364.7166.50111.5Y482 K483 E484 F489 I490 D513 A514 T516Y482-K486 HydrophobicContact CE1-CD 4.16Å; Y482-K486 WeakPolarHBondContact O-CB 3.5Å; Y482-K486 PolarHBondContact O-N 3.3Å; K483-K486 PolarHBondContact O-N 2.89Å; E484-K486 VanDerWaalsContact C-N 3.28Å; E484-K486 PolarHBondContact O-N 2.98Å; K486-F489 PolarHBondContact O-N 2.81Å; K486-I490 HydrophobicContact CG-CD1 4.15Å; K486-I490 WeakPolarHBondContact O-CG1 3.38Å; K486-I490 PolarHBondContact O-N 3.07Å; K486-D513 WeakPolarHBondContact CE-OD1 3.24Å; K486-D513 IonicContact NZ-OD1 2.66Å; K486-D513 PolarHBondContact NZ-OD1 2.76Å; K486-D513 IonicContact NZ-OD2 2.97Å; K486-A514 HydrophobicContact CD-CB 3.99Å; K486-A514 VanDerWaalsContact CD-O 3.31Å; K486-A514 WeakPolarHBondContact CD-O 3.3Å; K486-A514 HydrophobicContact CG-CB 3.82Å; K486-T516 HydrophobicContact CD-CG2 4.45Å; K486-T516 HydrophobicContact CG-CG2 4.39Å
487Q97.6Very high96.2Very high82 Ų8247 Ų4738%0.38325%0.254SS..Hα-helixtrans-64.7-39.3177.2-168.560.548.400111.8K483 E484 L485 F489 I490 D491K483-Q487 WeakPolarHBondContact O-CB 3.37Å; K483-Q487 PolarHBondContact O-N 3.16Å; E484-Q487 WeakPolarHBondContact O-CA 3.4Å; E484-Q487 WeakPolarHBondContact O-CB 3.37Å; E484-Q487 PolarHBondContact O-N 3.01Å; L485-Q487 VanDerWaalsContact C-N 3.28Å; L485-Q487 PolarHBondContact O-N 2.91Å; Q487-F489 VanDerWaalsContact C-N 3.34Å; Q487-F489 PolarHBondContact O-N 2.96Å; Q487-I490 WeakPolarHBondContact O-CB 3.17Å; Q487-I490 PolarHBondContact O-N 3.17Å; Q487-I490 VanDerWaalsContact O-N 3.13Å; Q487-D491 PolarHBondContact NE2-OD1 3.32Å; Q487-D491 WeakPolarHBondContact O-CB 3.34Å; Q487-D491 VanDerWaalsContact O-CG 3.26Å; Q487-D491 PolarHBondContact O-N 3.07Å
488V98.1Very high96.6Very high44 Ų4443.8 Ų43.827%0.26724%0.236SC..Hα-helixtrans-60.9-43.6175.3-178.50000111.3S428 K429 E484 L485 I490 D491 S492S428-V488 VanDerWaalsContact OG-CG1 3.26Å; S428-V488 WeakPolarHBondContact OG-CG1 3.2Å; K429-V488 HydrophobicContact CG-CG1 4.04Å; E484-V488 WeakPolarHBondContact O-CG2 3.35Å; E484-V488 PolarHBondContact O-N 3.07Å; L485-V488 PolarHBondContact O-N 3.16Å; V488-I490 VanDerWaalsContact C-N 3.34Å; V488-I490 PolarHBondContact O-N 2.94Å; V488-D491 PolarHBondContact O-N 3.4Å; V488-S492 WeakPolarHBondContact O-CB 3.48Å; V488-S492 PolarHBondContact O-N 3.07Å; V488-S492 PolarHBondContact O-OG 2.88Å
489F98.1Very high96.7Very high0 Ų046.7 Ų46.70%025%0.253CS..Hα-helixtrans-60.4-43.6173.2-84.8-75.6000112.3L384 S428 I431 W466 F467 L485 K486 Q487 A493L384-F489 HydrophobicContact CD2-CB 4.01Å; L384-F489 HydrophobicContact CD2-CD1 3.61Å; L384-F489 HydrophobicContact CD2-CE1 4.35Å; L384-F489 HydrophobicContact CD2-CG 4.02Å; S428-F489 VanDerWaalsContact CA-CE1 3.5Å; I431-F489 HydrophobicContact CD1-CD1 3.86Å; I431-F489 HydrophobicContact CG1-CD1 4.1Å; I431-F489 HydrophobicContact CG1-CE1 4.46Å; W466-F489 AromaticContact CE3-CZ 3.92Å; W466-F489 HydrophobicContact CE3-CZ 3.92Å; W466-F489 HydrophobicContact CZ3-CE1 4.39Å; W466-F489 HydrophobicContact CZ3-CZ 4Å; F467-F489 HydrophobicContact CE1-CE2 4.27Å; F467-F489 HydrophobicContact CZ-CD2 4.11Å; F467-F489 AromaticContact CZ-CE2 3.66Å; F467-F489 HydrophobicContact CZ-CE2 3.66Å; F467-F489 HydrophobicContact CZ-CZ 4.3Å; L485-F489 HydrophobicContact CD1-CD2 4.28Å; L485-F489 HydrophobicContact CD1-CE2 3.94Å; L485-F489 HydrophobicContact CG-CD2 4.28Å; L485-F489 HydrophobicContact CG-CE2 4.12Å; L485-F489 WeakPolarHBondContact O-CD2 3.41Å; L485-F489 PolarHBondContact O-N 3.31Å; K486-F489 PolarHBondContact O-N 2.81Å; Q487-F489 VanDerWaalsContact C-N 3.34Å; Q487-F489 PolarHBondContact O-N 2.96Å; F489-A493 WeakPolarHBondContact O-CB 3.36Å; F489-A493 PolarHBondContact O-N 3.11Å
490I98.3Very high96.9Very high3 Ų346.5 Ų46.52%0.01525%0.245CC..Hα-helixtrans-60.1-49.6177.7-74.3168.2000110.5I386 K486 Q487 V488 A493 L494 I512 A514I386-I490 HydrophobicContact CG2-CG1 4.28Å; K486-I490 HydrophobicContact CG-CD1 4.15Å; K486-I490 WeakPolarHBondContact O-CG1 3.38Å; K486-I490 PolarHBondContact O-N 3.07Å; Q487-I490 WeakPolarHBondContact O-CB 3.17Å; Q487-I490 PolarHBondContact O-N 3.17Å; Q487-I490 VanDerWaalsContact O-N 3.13Å; V488-I490 VanDerWaalsContact C-N 3.34Å; V488-I490 PolarHBondContact O-N 2.94Å; I490-A493 PolarHBondContact O-N 3.17Å; I490-L494 WeakPolarHBondContact O-CB 3.37Å; I490-L494 PolarHBondContact O-N 2.69Å; I490-I512 HydrophobicContact CG2-CD1 3.41Å; I490-I512 VanDerWaalsContact CG2-CD1 3.41Å; I490-I512 HydrophobicContact CG2-CG1 3.72Å; I490-I512 HydrophobicContact CG2-CG2 4.46Å; I490-A514 HydrophobicContact CD1-CB 3.95Å; I490-A514 HydrophobicContact CG1-CB 3.84Å
491D97.9Very high96.9Very high61 Ų6142.5 Ų42.533%0.32622%0.218SC..Hα-helixtrans-65.2-43.2-176.7-68.1-17.5000111.3Q487 V488 L494 N495Q487-D491 PolarHBondContact NE2-OD1 3.32Å; Q487-D491 WeakPolarHBondContact O-CB 3.34Å; Q487-D491 VanDerWaalsContact O-CG 3.26Å; Q487-D491 PolarHBondContact O-N 3.07Å; V488-D491 PolarHBondContact O-N 3.4Å; D491-L494 PolarHBondContact O-N 3.13Å; D491-N495 PolarHBondContact O-N 2.94Å; D491-N495 PolarHBondContact O-ND2 3.41Å
492S97.3Very high96.9Very high23 Ų2342.5 Ų42.516%0.16122%0.223CC..Hα-helixtrans-59.5-47.6175.6-650000112.1S428 K429 V488S428-S492 VanDerWaalsContact O-CB 3.3Å; S428-S492 WeakPolarHBondContact O-CB 3.38Å; S428-S492 PolarHBondContact O-OG 3.13Å; K429-S492 WeakPolarHBondContact CA-OG 3.39Å; V488-S492 WeakPolarHBondContact O-CB 3.48Å; V488-S492 PolarHBondContact O-N 3.07Å; V488-S492 PolarHBondContact O-OG 2.88Å
493A97.9Very high96.9Very high1 Ų147.8 Ų47.81%0.00825%0.246CC..Hα-helixtrans-66.7-40.9177.700000111.8I386 I431 L434 V458 F489 I490 N495 V496 V497I386-A493 HydrophobicContact CD1-CB 3.34Å; I431-A493 HydrophobicContact CD1-CB 4.02Å; L434-A493 HydrophobicContact CD1-CB 4.12Å; L434-A493 HydrophobicContact CD2-CB 3.98Å; V458-A493 HydrophobicContact CG1-CB 4.5Å; F489-A493 WeakPolarHBondContact O-CB 3.36Å; F489-A493 PolarHBondContact O-N 3.11Å; I490-A493 PolarHBondContact O-N 3.17Å; A493-N495 VanDerWaalsContact C-N 3.33Å; A493-N495 PolarHBondContact O-N 3.2Å; A493-V496 PolarHBondContact O-N 3.18Å; A493-V497 WeakPolarHBondContact O-CG2 3.41Å; A493-V497 PolarHBondContact O-N 3.33Å
494L97.4Very high97Very high13 Ų1343.2 Ų43.27%0.06823%0.226CC..Hα-helixtrans-64.9-37.8-178.7-176.662.4000111.8I388 I490 D491 V496 V497 M498 I509 I512I388-L494 HydrophobicContact CD1-CD1 4.21Å; I490-L494 WeakPolarHBondContact O-CB 3.37Å; I490-L494 PolarHBondContact O-N 2.69Å; D491-L494 PolarHBondContact O-N 3.13Å; L494-V496 VanDerWaalsContact C-N 3.3Å; L494-V496 PolarHBondContact O-N 3.11Å; L494-V497 PolarHBondContact O-N 3.34Å; L494-M498 HydrophobicContact CD1-CG 4.07Å; L494-M498 HydrophobicContact CD1-SD 4.43Å; L494-M498 HydrophobicContact CD2-CE 4.47Å; L494-M498 HydrophobicContact CG-CE 4.04Å; L494-M498 HydrophobicContact CG-CG 4.22Å; L494-M498 HydrophobicContact CG-SD 4.16Å; L494-M498 WeakPolarHBondContact O-CG 3.39Å; L494-M498 PolarHBondContact O-N 3.49Å; L494-I509 HydrophobicContact CD1-CD1 3.57Å; L494-I509 HydrophobicContact CD2-CD1 3.59Å; L494-I509 HydrophobicContact CG-CD1 4.15Å; L494-I512 HydrophobicContact CD1-CD1 4.34Å; L494-I512 HydrophobicContact CD2-CD1 4.25Å
495N96.1Very high97Very high86 Ų8639.4 Ų39.446%0.4621%0.213SC..Hα-helixtrans-58.1-44.2174.7-71.1-23.9000111.4D491 A493 D499D491-N495 PolarHBondContact O-N 2.94Å; D491-N495 PolarHBondContact O-ND2 3.41Å; A493-N495 VanDerWaalsContact C-N 3.33Å; A493-N495 PolarHBondContact O-N 3.2Å; N495-D499 WeakPolarHBondContact O-CB 3.37Å; N495-D499 PolarHBondContact O-N 2.86Å; N495-D499 VanDerWaalsContact O-N 3.15Å
496V96.8Very high96.9Very high37 Ų3746.4 Ų46.422%0.22424%0.238CC..Hα-helixtrans-67.2-40.6176-1790000111.3I406 L434 A493 L494 D499 V500I406-V496 HydrophobicContact CD1-CG1 4.47Å; I406-V496 HydrophobicContact CG2-CG1 3.75Å; L434-V496 HydrophobicContact CD1-CB 3.59Å; L434-V496 HydrophobicContact CD1-CG1 3.74Å; L434-V496 HydrophobicContact CD1-CG2 4.1Å; A493-V496 PolarHBondContact O-N 3.18Å; L494-V496 VanDerWaalsContact C-N 3.3Å; L494-V496 PolarHBondContact O-N 3.11Å; V496-D499 PolarHBondContact O-N 3.39Å; V496-V500 HydrophobicContact CG1-CG2 4.35Å; V496-V500 WeakPolarHBondContact O-CG2 3.48Å; V496-V500 PolarHBondContact O-N 3.32Å
497V97.3Very high96.9Very high0 Ų050.6 Ų50.60%026%0.262CS..Hα-helixtrans-61.1-49.8177.2169.40000111.2V436 L456 V458 A493 L494 D499 V500 F501 I504V436-V497 HydrophobicContact CG2-CG2 4.11Å; L456-V497 HydrophobicContact CD1-CG1 3.84Å; V458-V497 HydrophobicContact CG2-CG2 3.89Å; A493-V497 WeakPolarHBondContact O-CG2 3.41Å; A493-V497 PolarHBondContact O-N 3.33Å; L494-V497 PolarHBondContact O-N 3.34Å; V497-D499 PolarHBondContact O-N 3.49Å; V497-V500 PolarHBondContact O-N 2.78Å; V497-F501 HydrophobicContact CG1-CD2 4.09Å; V497-F501 WeakPolarHBondContact O-CB 3.4Å; V497-F501 VanDerWaalsContact O-CD2 3.3Å; V497-F501 WeakPolarHBondContact O-CD2 2.87Å; V497-F501 PolarHBondContact O-N 2.94Å; V497-I504 HydrophobicContact CG1-CD1 4.42Å
498M96.4Very high96.9Very high38 Ų3849.8 Ų49.819%0.18726%0.257CS..Hα-helixtrans-65.2-29.8-179.4-64.8-173.8-60.800112.2L494 F501 P502 I504 R506L494-M498 HydrophobicContact CD1-CG 4.07Å; L494-M498 HydrophobicContact CD1-SD 4.43Å; L494-M498 HydrophobicContact CD2-CE 4.47Å; L494-M498 HydrophobicContact CG-CE 4.04Å; L494-M498 HydrophobicContact CG-CG 4.22Å; L494-M498 HydrophobicContact CG-SD 4.16Å; L494-M498 WeakPolarHBondContact O-CG 3.39Å; L494-M498 PolarHBondContact O-N 3.49Å; M498-F501 CarbonylContact O-C 3.27Å; M498-F501 VanDerWaalsContact O-C 3.28Å; M498-P502 VanDerWaalsContact O-CA 3.3Å; M498-P502 WeakPolarHBondContact O-CA 3.16Å; M498-I504 VanDerWaalsContact CG-O 3.29Å; M498-I504 WeakPolarHBondContact CG-O 3.41Å; M498-R506 HydrophobicContact CE-CG 4.35Å; M498-R506 HydrophobicContact SD-CG 3.8Å
499D94.9Very high96.9Very high72 Ų7249.3 Ų49.339%0.38525%0.252SS..Hα-helixtrans-74.1-38.6175.517668.9000112.7P157 R160 N495 V496 V497P157-D499 WeakPolarHBondContact CG-OD2 3.4Å; R160-D499 IonicContact CZ-OD2 2.79Å; R160-D499 IonicContact NH1-OD2 2.72Å; R160-D499 PolarHBondContact NH1-OD2 3.02Å; R160-D499 IonicContact NH2-OD2 2.75Å; R160-D499 PolarHBondContact NH2-OD2 3.42Å; N495-D499 WeakPolarHBondContact O-CB 3.37Å; N495-D499 PolarHBondContact O-N 2.86Å; N495-D499 VanDerWaalsContact O-N 3.15Å; V496-D499 PolarHBondContact O-N 3.39Å; V497-D499 PolarHBondContact O-N 3.49Å
500V96.1Very high96.9Very high27 Ų2753.4 Ų53.416%0.16428%0.277CS..Hα-helixtrans-73.1-34.8173.1176.20000111.9Y404 I406 V496 V497 P502Y404-V500 HydrophobicContact CD1-CG1 4.15Å; Y404-V500 HydrophobicContact CE1-CG1 4.48Å; I406-V500 HydrophobicContact CD1-CB 4.38Å; I406-V500 HydrophobicContact CD1-CG1 4.34Å; I406-V500 HydrophobicContact CD1-CG2 3.74Å; I406-V500 HydrophobicContact CG1-CG2 4.07Å; I406-V500 HydrophobicContact CG2-CG2 4.35Å; V496-V500 HydrophobicContact CG1-CG2 4.35Å; V496-V500 WeakPolarHBondContact O-CG2 3.48Å; V496-V500 PolarHBondContact O-N 3.32Å; V497-V500 PolarHBondContact O-N 2.78Å; V500-P502 WeakPolarHBondContact O-CD 3.42Å
501F96.7Very high96.9Very high15 Ų1554.9 Ų54.97%0.06628%0.283CS..SBendtrans-120.776.5-176.1-57.4-85.4000110.1L399 Y404 V436 V497 M498 K503 I504L399-F501 HydrophobicContact CD2-CD1 4.23Å; L399-F501 HydrophobicContact CD2-CE1 4.43Å; Y404-F501 HydrophobicContact CD1-CZ 4.22Å; Y404-F501 AromaticContact CD2-CE1 3.95Å; Y404-F501 HydrophobicContact CD2-CE1 3.95Å; Y404-F501 AromaticContact CD2-CZ 3.42Å; Y404-F501 HydrophobicContact CD2-CZ 3.42Å; Y404-F501 VanDerWaalsContact CD2-CZ 3.42Å; Y404-F501 HydrophobicContact CE1-CE1 4.43Å; Y404-F501 HydrophobicContact CE1-CZ 4.37Å; Y404-F501 AromaticContact CE2-CE1 3.59Å; Y404-F501 HydrophobicContact CE2-CE1 3.59Å; Y404-F501 AromaticContact CE2-CZ 3.59Å; Y404-F501 HydrophobicContact CE2-CZ 3.59Å; Y404-F501 HydrophobicContact CG-CE1 4.5Å; Y404-F501 AromaticContact CG-CZ 3.76Å; Y404-F501 HydrophobicContact CG-CZ 3.76Å; Y404-F501 AromaticContact CZ-CE1 3.87Å; V436-F501 HydrophobicContact CB-CE2 4.24Å; V436-F501 HydrophobicContact CG1-CE2 3.71Å; V436-F501 HydrophobicContact CG1-CZ 4.08Å; V497-F501 HydrophobicContact CG1-CD2 4.09Å; V497-F501 WeakPolarHBondContact O-CB 3.4Å; V497-F501 VanDerWaalsContact O-CD2 3.3Å; V497-F501 WeakPolarHBondContact O-CD2 2.87Å; V497-F501 PolarHBondContact O-N 2.94Å; M498-F501 CarbonylContact O-C 3.27Å; M498-F501 VanDerWaalsContact O-C 3.28Å; F501-K503 PolarHBondContact O-N 3.45Å; F501-I504 HydrophobicContact CB-CB 4.35Å; F501-I504 HydrophobicContact CB-CD1 3.51Å; F501-I504 HydrophobicContact CB-CG1 3.85Å; F501-I504 HydrophobicContact CG-CD1 4.03Å; F501-I504 WeakPolarHBondContact O-CB 3.26Å; F501-I504 PolarHBondContact O-N 2.97Å
502P95.2Very high96.8Very high101 Ų10154.3 Ų54.366%0.65628%0.279SS*.THydrogen-bonded Turntrans-65-15.1-170.224.9-35.9000114.8M498 V500 I504M498-P502 VanDerWaalsContact O-CA 3.3Å; M498-P502 WeakPolarHBondContact O-CA 3.16Å; V500-P502 WeakPolarHBondContact O-CD 3.42Å; P502-I504 VanDerWaalsContact C-N 3.27Å
503K97.3Very high96.8Very high118 Ų11855.9 Ų55.951%0.51329%0.286SS..THydrogen-bonded Turntrans-79.2-10.2173-60.6-163.3-175.7-177.90113.3E396 F501 T505E396-K503 WeakPolarHBondContact O-CD 3.19Å; F501-K503 PolarHBondContact O-N 3.45Å; K503-T505 PolarHBondContact O-N 3.16Å
504I97.3Very high96.7Very high2 Ų256 Ų561%0.0129%0.287CS..  trans-92.897.7174.4-55.4179.6000107.2L390 L399 L456 V497 M498 F501 P502L390-I504 HydrophobicContact CD1-CD1 3.95Å; L390-I504 HydrophobicContact CD1-CG1 4.34Å; L390-I504 HydrophobicContact CD1-CG2 4.25Å; L390-I504 HydrophobicContact CD2-CG2 3.79Å; L399-I504 HydrophobicContact CD2-CD1 4.01Å; L456-I504 HydrophobicContact CD1-CD1 3.46Å; L456-I504 VanDerWaalsContact CD1-CD1 3.46Å; L456-I504 HydrophobicContact CG-CD1 4.49Å; V497-I504 HydrophobicContact CG1-CD1 4.42Å; M498-I504 VanDerWaalsContact CG-O 3.29Å; M498-I504 WeakPolarHBondContact CG-O 3.41Å; F501-I504 HydrophobicContact CB-CB 4.35Å; F501-I504 HydrophobicContact CB-CD1 3.51Å; F501-I504 HydrophobicContact CB-CG1 3.85Å; F501-I504 HydrophobicContact CG-CD1 4.03Å; F501-I504 WeakPolarHBondContact O-CB 3.26Å; F501-I504 PolarHBondContact O-N 2.97Å; P502-I504 VanDerWaalsContact C-N 3.27Å
505T96.1Very high96.6Very high57 Ų5755.8 Ų55.835%0.3529%0.287SS..  trans-101.5162.1176.351.70000110.5K503 D507 K508K503-T505 PolarHBondContact O-N 3.16Å; T505-D507 WeakPolarHBondContact CB-OD1 3.2Å; T505-D507 PolarHBondContact O-N 3.41Å; T505-D507 PolarHBondContact OG1-OD1 2.96Å; T505-K508 WeakPolarHBondContact O-CB 3.28Å; T505-K508 PolarHBondContact O-N 2.87Å; T505-K508 WeakPolarHBondContact OG1-CG 3.44Å
506R95.6Very high96.6Very high165 Ų16551.7 Ų51.762%0.62327%0.266SS*.G310 helixtrans-57.1-34.3-176.5-73-170.1174.6-159.1-2.9113.4M498 K508 I509M498-R506 HydrophobicContact CE-CG 4.35Å; M498-R506 HydrophobicContact SD-CG 3.8Å; R506-K508 PolarHBondContact O-N 2.64Å; R506-I509 PolarHBondContact O-N 3.1Å; R506-I509 VanDerWaalsContact O-N 3.16Å
507D96.6Very high96.6Very high117 Ų11749.9 Ų49.963%0.62626%0.255SS*.G310 helixtrans-67.1-18.217763.4-70.2000113.6T505 I509T505-D507 WeakPolarHBondContact CB-OD1 3.2Å; T505-D507 PolarHBondContact O-N 3.41Å; T505-D507 PolarHBondContact OG1-OD1 2.96Å; D507-I509 VanDerWaalsContact C-N 3.35Å
508K97.5Very high96.6Very high65 Ų6549.9 Ų49.928%0.28326%0.255SS..G310 helixtrans-81.6-15.4175.1-57.7-70.3166.1176.20112.5L390 N391 L397 T505 R506 V510L390-K508 CarbonylContact C-O 3.53Å; L390-K508 VanDerWaalsContact CA-O 3.25Å; L390-K508 WeakPolarHBondContact CA-O 3.31Å; N391-K508 PolarHBondContact N-O 2.93Å; N391-K508 VanDerWaalsContact O-CD 3.27Å; N391-K508 WeakPolarHBondContact O-CD 3.1Å; L397-K508 HydrophobicContact CD2-CB 4.23Å; L397-K508 HydrophobicContact CD2-CD 4.17Å; L397-K508 HydrophobicContact CD2-CG 4.05Å; T505-K508 WeakPolarHBondContact O-CB 3.28Å; T505-K508 PolarHBondContact O-N 2.87Å; T505-K508 WeakPolarHBondContact OG1-CG 3.44Å; R506-K508 PolarHBondContact O-N 2.64Å; K508-V510 PolarHBondContact O-N 2.74Å
509I97.9Very high96.5Very high34 Ų3448.9 Ų48.917%0.17425%0.251CS..EExtended strand (participates in β ladder)trans-85.6111.5-174.9-55.9169.7000109.6I388 L390 L494 R506 D507 I512I388-I509 HydrophobicContact CG2-CG1 4.35Å; I388-I509 HydrophobicContact CG2-CG2 4.01Å; L390-I509 HydrophobicContact CD2-CG1 3.85Å; L494-I509 HydrophobicContact CD1-CD1 3.57Å; L494-I509 HydrophobicContact CD2-CD1 3.59Å; L494-I509 HydrophobicContact CG-CD1 4.15Å; R506-I509 PolarHBondContact O-N 3.1Å; R506-I509 VanDerWaalsContact O-N 3.16Å; D507-I509 VanDerWaalsContact C-N 3.35Å; I509-I512 HydrophobicContact CG2-CB 4.1Å; I509-I512 HydrophobicContact CG2-CG2 4.32Å
510V97.8Very high96.5Very high86 Ų8646.3 Ų46.352%0.52124%0.237SC..EExtended strand (participates in β ladder)trans-96.1-32178.7-178.50000111.4F110 G389 N391 K508F110-V510 HydrophobicContact CE2-CB 3.76Å; F110-V510 HydrophobicContact CE2-CG1 3.77Å; F110-V510 HydrophobicContact CZ-CB 3.84Å; F110-V510 HydrophobicContact CZ-CG1 4.21Å; F110-V510 HydrophobicContact CZ-CG2 4.19Å; G389-V510 PolarHBondContact O-N 3.05Å; N391-V510 HydrophobicContact CB-CG2 3.77Å; K508-V510 PolarHBondContact O-N 2.74Å
511Y97.9Very high96.4Very high35 Ų3546.9 Ų46.914%0.13724%0.241CC..EExtended strand (participates in β ladder)trans-141.8136.5-179.7174.5-101.5000109.8E107 K108 F112 F387 I388 G389 D513E107-Y511 HydrophobicContact CB-CE1 4.24Å; E107-Y511 HydrophobicContact CB-CE2 4.07Å; E107-Y511 HydrophobicContact CG-CD2 3.91Å; E107-Y511 HydrophobicContact CG-CE1 4.31Å; E107-Y511 HydrophobicContact CG-CE2 3.26Å; E107-Y511 VanDerWaalsContact CG-CZ 3.49Å; K108-Y511 HydrophobicContact CB-CD2 4.44Å; K108-Y511 HydrophobicContact CG-CD2 3.89Å; K108-Y511 HydrophobicContact CG-CG 4.5Å; F112-Y511 AromaticContact CE2-CD1 3.73Å; F112-Y511 HydrophobicContact CE2-CD1 3.73Å; F112-Y511 AromaticContact CE2-CE1 3.77Å; F112-Y511 HydrophobicContact CE2-CE1 3.77Å; F112-Y511 AromaticContact CZ-CD1 3.83Å; F112-Y511 HydrophobicContact CZ-CD1 3.83Å; F112-Y511 HydrophobicContact CZ-CE1 4.19Å; F387-Y511 HydrophobicContact CB-CE1 4.24Å; I388-Y511 CarbonylContact C-O 3.52Å; I388-Y511 WeakPolarHBondContact CA-O 3.16Å; G389-Y511 PolarHBondContact N-O 3.2Å; G389-Y511 PolarHBondContact O-N 3.14Å; Y511-D513 HydrophobicContact CE1-CB 4.25Å; Y511-D513 HydrophobicContact CE2-CB 4.21Å; Y511-D513 VanDerWaalsContact OH-CB 3.24Å; Y511-D513 WeakPolarHBondContact OH-CB 3.46Å
512I97.7Very high96.2Very high48 Ų4850.8 Ų50.825%0.24626%0.259CS..EExtended strand (participates in β ladder)trans-147.3130.7168.8-169.3158.9000109.6I386 F387 I388 I490 L494 I509I386-I512 HydrophobicContact CG2-CD1 4.25Å; I386-I512 HydrophobicContact CG2-CG1 3.97Å; F387-I512 WeakPolarHBondContact O-CA 3.45Å; I388-I512 HydrophobicContact CD1-CD1 4.19Å; I388-I512 HydrophobicContact CG1-CD1 3.94Å; I388-I512 HydrophobicContact CG1-CG1 4.15Å; I388-I512 HydrophobicContact CG2-CD1 4.49Å; I490-I512 HydrophobicContact CG2-CD1 3.41Å; I490-I512 VanDerWaalsContact CG2-CD1 3.41Å; I490-I512 HydrophobicContact CG2-CG1 3.72Å; I490-I512 HydrophobicContact CG2-CG2 4.46Å; L494-I512 HydrophobicContact CD1-CD1 4.34Å; L494-I512 HydrophobicContact CD2-CD1 4.25Å; I509-I512 HydrophobicContact CG2-CB 4.1Å; I509-I512 HydrophobicContact CG2-CG2 4.32Å
513D96.4Very high96Very high56 Ų5649.9 Ų49.930%0.29924%0.243SC..EExtended strand (participates in β ladder)trans-153.7161.3170.8-16315.4000110.9I386 F387 K486 Y511I386-D513 WeakPolarHBondContact CA-O 3.29Å; F387-D513 PolarHBondContact N-O 2.93Å; F387-D513 PolarHBondContact O-N 3.3Å; F387-D513 VanDerWaalsContact O-N 3.17Å; K486-D513 WeakPolarHBondContact CE-OD1 3.24Å; K486-D513 IonicContact NZ-OD1 2.66Å; K486-D513 PolarHBondContact NZ-OD1 2.76Å; K486-D513 IonicContact NZ-OD2 2.97Å; Y511-D513 HydrophobicContact CE1-CB 4.25Å; Y511-D513 HydrophobicContact CE2-CB 4.21Å; Y511-D513 VanDerWaalsContact OH-CB 3.24Å; Y511-D513 WeakPolarHBondContact OH-CB 3.46Å
514A95.8Very high95.7Very high5 Ų546.7 Ų46.74%0.04123%0.231CC..EExtended strand (participates in β ladder)trans-124.2137.5178.300000113.6L384 N385 I386 K486 I490L384-A514 HydrophobicContact CD1-CB 4.21Å; N385-A514 CarbonylContact O-C 3.43Å; N385-A514 WeakPolarHBondContact O-CA 3.33Å; I386-A514 HydrophobicContact CB-CB 4.49Å; I386-A514 HydrophobicContact CG1-CB 3.87Å; K486-A514 HydrophobicContact CD-CB 3.99Å; K486-A514 VanDerWaalsContact CD-O 3.31Å; K486-A514 WeakPolarHBondContact CD-O 3.3Å; K486-A514 HydrophobicContact CG-CB 3.82Å; I490-A514 HydrophobicContact CD1-CB 3.95Å; I490-A514 HydrophobicContact CG1-CB 3.84Å
515G95.6Very high95.6Very high7 Ų747.1 Ų47.17%0.07224%0.236CC..EExtended strand (participates in β ladder)trans-90.4126.3161.600000110.3L384 N385L384-G515 WeakPolarHBondContact CA-O 3.23Å; N385-G515 PolarHBondContact N-O 3.01Å; N385-G515 PolarHBondContact O-N 3.24Å
516T96.6Very high95.5Very high0 Ų044.9 Ų44.90%022%0.223CC..  trans-99174.117669.90000110.6G383 L384 F467 Y482 K486 I518 T519 N520G383-T516 CarbonylContact O-C 3.28Å; L384-T516 HydrophobicContact CD1-CG2 4.27Å; F467-T516 HydrophobicContact CD1-CG2 3.9Å; F467-T516 HydrophobicContact CE1-CG2 3.51Å; F467-T516 HydrophobicContact CE2-CG2 4.46Å; F467-T516 HydrophobicContact CZ-CG2 3.83Å; Y482-T516 HydrophobicContact CE2-CG2 4.02Å; Y482-T516 VanDerWaalsContact OH-CG2 3.31Å; Y482-T516 WeakPolarHBondContact OH-CG2 3.26Å; Y482-T516 PolarHBondContact OH-OG1 3.2Å; K486-T516 HydrophobicContact CD-CG2 4.45Å; K486-T516 HydrophobicContact CG-CG2 4.39Å; T516-I518 VanDerWaalsContact C-N 3.27Å; T516-I518 PolarHBondContact O-N 3.21Å; T516-I518 WeakPolarHBondContact OG1-CG1 3.27Å; T516-T519 PolarHBondContact N-OG1 3.44Å; T516-T519 WeakPolarHBondContact O-CA 3.34Å; T516-T519 WeakPolarHBondContact O-CB 3.27Å; T516-T519 PolarHBondContact O-N 2.89Å; T516-N520 PolarHBondContact O-N 2.7Å
517P96.6Very high95.5Very high0 Ų038 Ų380%020%0.2CC..Hα-helixtrans-53.1-40177-31.237.3000114.1G383 A462 Y464 F467 T519 N520 T521 G529G383-P517 VanDerWaalsContact O-CD 3.32Å; G383-P517 WeakPolarHBondContact O-CD 3.23Å; A462-P517 HydrophobicContact CB-CG 3.98Å; A462-P517 WeakPolarHBondContact O-CG 3.09Å; Y464-P517 HydrophobicContact CD2-CB 4.27Å; F467-P517 HydrophobicContact CD2-CG 4.14Å; F467-P517 HydrophobicContact CE2-CG 4.26Å; P517-T519 PolarHBondContact O-N 3.41Å; P517-N520 WeakPolarHBondContact O-CB 3.48Å; P517-N520 PolarHBondContact O-N 2.94Å; P517-N520 VanDerWaalsContact O-N 3.12Å; P517-T521 PolarHBondContact O-N 3Å; P517-G529 WeakPolarHBondContact O-CA 3.43Å
518I96.6Very high95.5Very high0 Ų036.3 Ų36.30%019%0.187CC..Hα-helixtrans-72.4-11.317559.5163.1000113.5Y464 F467 W470 K471 R478 Y482 T516 T521Y464-I518 HydrophobicContact CD2-CG2 4.03Å; Y464-I518 HydrophobicContact CE2-CG2 3.53Å; F467-I518 HydrophobicContact CB-CD1 3.9Å; F467-I518 HydrophobicContact CB-CG1 3.81Å; F467-I518 HydrophobicContact CB-CG2 4.01Å; F467-I518 WeakPolarHBondContact O-CD1 3.36Å; W470-I518 HydrophobicContact CB-CD1 3.83Å; K471-I518 HydrophobicContact CB-CG2 4.44Å; R478-I518 VanDerWaalsContact NE-CD1 3.31Å; R478-I518 PolarHBondContact NH2-O 3.19Å; Y482-I518 HydrophobicContact CD2-CD1 4.18Å; Y482-I518 HydrophobicContact CE2-CD1 3.65Å; Y482-I518 HydrophobicContact CE2-CG1 4.16Å; T516-I518 VanDerWaalsContact C-N 3.27Å; T516-I518 PolarHBondContact O-N 3.21Å; T516-I518 WeakPolarHBondContact OG1-CG1 3.27Å; I518-T521 PolarHBondContact O-OG1 3.02Å
519T94.9Very high95.3Very high17 Ų1733.2 Ų33.210%0.10417%0.173CC..Hα-helixtrans-76.8-38.1168.1-61.20000110.1V475 R478 Y482 T516 P517 T521 H522 Y523V475-T519 HydrophobicContact CG2-CG2 4.4Å; R478-T519 PolarHBondContact NH1-OG1 3.3Å; Y482-T519 PolarHBondContact OH-OG1 3.14Å; T516-T519 PolarHBondContact N-OG1 3.44Å; T516-T519 WeakPolarHBondContact O-CA 3.34Å; T516-T519 WeakPolarHBondContact O-CB 3.27Å; T516-T519 PolarHBondContact O-N 2.89Å; P517-T519 PolarHBondContact O-N 3.41Å; T519-T521 VanDerWaalsContact C-N 3.35Å; T519-T521 PolarHBondContact O-N 3.47Å; T519-H522 PolarHBondContact O-N 2.82Å; T519-Y523 HydrophobicContact CG2-CD2 3.52Å; T519-Y523 HydrophobicContact CG2-CE2 3.61Å; T519-Y523 WeakPolarHBondContact O-CD2 3.34Å; T519-Y523 PolarHBondContact O-N 3.5Å; T519-Y523 VanDerWaalsContact O-N 3.14Å
520N94.4Very high95.2Very high18 Ų1831.9 Ų31.910%0.09617%0.167CC..Hα-helixtrans-68.2-30.6177-70.3-9.3000113.1T516 P517 H522 I524 G525 A526 G529T516-N520 PolarHBondContact O-N 2.7Å; P517-N520 WeakPolarHBondContact O-CB 3.48Å; P517-N520 PolarHBondContact O-N 2.94Å; P517-N520 VanDerWaalsContact O-N 3.12Å; N520-H522 PolarHBondContact O-N 3.34Å; N520-I524 HydrophobicContact CB-CD1 4.11Å; N520-I524 HydrophobicContact CB-CG1 4.01Å; N520-I524 WeakPolarHBondContact O-CG1 3.3Å; N520-I524 PolarHBondContact O-N 3.18Å; N520-G525 PolarHBondContact O-N 3.24Å; N520-A526 HydrophobicContact CB-CB 4.47Å; N520-A526 PolarHBondContact O-N 3.4Å; N520-G529 PolarHBondContact ND2-O 3.5Å; N520-G529 VanDerWaalsContact ND2-O 3.14Å
521T94Very high94.9Very high39 Ų3929.2 Ų29.224%0.23915%0.149CC..Hα-helixtrans-58.1-35.7172.362.20000112.1Y464 P517 I518 T519 G525 A526Y464-T521 HydrophobicContact CD2-CG2 4.44Å; Y464-T521 HydrophobicContact CE2-CG2 3.76Å; P517-T521 PolarHBondContact O-N 3Å; I518-T521 PolarHBondContact O-OG1 3.02Å; T519-T521 VanDerWaalsContact C-N 3.35Å; T519-T521 PolarHBondContact O-N 3.47Å; T521-G525 VanDerWaalsContact O-CA 3.31Å; T521-G525 WeakPolarHBondContact O-CA 3.4Å; T521-G525 PolarHBondContact O-N 3.45Å; T521-A526 VanDerWaalsContact CA-O 3.31Å; T521-A526 WeakPolarHBondContact CA-O 3.48Å; T521-A526 WeakPolarHBondContact CG2-O 3.47Å
522H91.6Very high94.7Very high96 Ų9629.9 Ų29.944%0.44415%0.151SC..Hα-helixtrans-78.9-53.4179.4-178.781.6000112Q94 V475 T519 N520Q94-H522 PolarHBondContact NE2-O 3.01Å; V475-H522 HydrophobicContact CB-CB 4.5Å; V475-H522 HydrophobicContact CG2-CB 4.3Å; T519-H522 PolarHBondContact O-N 2.82Å; N520-H522 PolarHBondContact O-N 3.34Å
523Y91.8Very high94.5Very high83 Ų8327.9 Ų27.933%0.32514%0.142SC..Hα-helixtrans-78.2-35.5-169.3-75.6-67.6000114.3H95 V475 T519H95-Y523 AromaticContact CD2-CD1 3.57Å; H95-Y523 AromaticContact NE2-CD1 3.36Å; H95-Y523 WeakPolarHBondContact NE2-CD1 3.3Å; H95-Y523 AromaticContact NE2-CE1 3.63Å; V475-Y523 HydrophobicContact CG2-CE2 3.94Å; T519-Y523 HydrophobicContact CG2-CD2 3.52Å; T519-Y523 HydrophobicContact CG2-CE2 3.61Å; T519-Y523 WeakPolarHBondContact O-CD2 3.34Å; T519-Y523 PolarHBondContact O-N 3.5Å; T519-Y523 VanDerWaalsContact O-N 3.14Å
524I91.8Very high94.4Very high51 Ų5125.3 Ų25.326%0.26213%0.129SC..THydrogen-bonded Turntrans-123.53.5-175.962.2168.9000113N520 A526N520-I524 HydrophobicContact CB-CD1 4.11Å; N520-I524 HydrophobicContact CB-CG1 4.01Å; N520-I524 WeakPolarHBondContact O-CG1 3.3Å; N520-I524 PolarHBondContact O-N 3.18Å; I524-A526 HydrophobicContact CD1-CB 4.14Å; I524-A526 HydrophobicContact CG1-CB 4.03Å; I524-A526 PolarHBondContact O-N 2.88Å
525G93.7Very high94.3Very high10 Ų1025.7 Ų25.710%0.10313%0.13CC..  trans71.513.5175.200000114.8N354 N520 T521 P527N354-G525 PolarHBondContact ND2-O 2.86Å; N520-G525 PolarHBondContact O-N 3.24Å; T521-G525 VanDerWaalsContact O-CA 3.31Å; T521-G525 WeakPolarHBondContact O-CA 3.4Å; T521-G525 PolarHBondContact O-N 3.45Å; G525-P527 WeakPolarHBondContact O-CD 3.46Å
526A95.3Very high94.2Very high10 Ų1025.4 Ų25.48%0.08313%0.127CC..  trans-72.1109.2-179.500000110.6N520 T521 I524 K528 G529 E530N520-A526 HydrophobicContact CB-CB 4.47Å; N520-A526 PolarHBondContact O-N 3.4Å; T521-A526 VanDerWaalsContact CA-O 3.31Å; T521-A526 WeakPolarHBondContact CA-O 3.48Å; T521-A526 WeakPolarHBondContact CG2-O 3.47Å; I524-A526 HydrophobicContact CD1-CB 4.14Å; I524-A526 HydrophobicContact CG1-CB 4.03Å; I524-A526 PolarHBondContact O-N 2.88Å; A526-K528 VanDerWaalsContact C-N 3.28Å; A526-K528 PolarHBondContact O-N 3.46Å; A526-K528 VanDerWaalsContact O-N 3.15Å; A526-G529 PolarHBondContact O-N 3.45Å; A526-E530 VanDerWaalsContact C-OE2 3.27Å; A526-E530 HydrophobicContact CB-CG 4.12Å
527P94.9Very high94.1Very high22 Ų2225.6 Ų25.614%0.14313%0.129CC..THydrogen-bonded Turntrans-58.7-30-168.2-27.735.7000116.4F353 N354 G525 E530F353-P527 HydrophobicContact CB-CG 4.28Å; N354-P527 WeakPolarHBondContact OD1-CG 3.27Å; G525-P527 WeakPolarHBondContact O-CD 3.46Å; P527-E530 WeakPolarHBondContact CD-OE1 3.28Å
528K96Very high94.1Very high80 Ų8028.1 Ų28.135%0.34814%0.142SC..THydrogen-bonded Turntrans-115.518.7175.6-64.1-62.1-175178.60111.7H379 Y464 A526 E530H379-K528 HydrophobicContact CB-CB 4.08Å; H379-K528 HydrophobicContact CB-CG 4.01Å; Y464-K528 WeakPolarHBondContact CB-O 3.46Å; Y464-K528 HydrophobicContact CD1-CD 3.72Å; Y464-K528 HydrophobicContact CD2-CD 4.37Å; Y464-K528 HydrophobicContact CE1-CD 4.14Å; Y464-K528 HydrophobicContact CG-CB 4.4Å; Y464-K528 HydrophobicContact CG-CD 3.85Å; A526-K528 VanDerWaalsContact C-N 3.28Å; A526-K528 PolarHBondContact O-N 3.46Å; A526-K528 VanDerWaalsContact O-N 3.15Å; K528-E530 VanDerWaalsContact C-OE2 3.23Å; K528-E530 VanDerWaalsContact CA-OE2 3.28Å; K528-E530 WeakPolarHBondContact CA-OE2 3.35Å; K528-E530 PolarHBondContact N-OE2 2.87Å; K528-E530 PolarHBondContact O-N 3.46Å
529G95.3Very high94Very high0 Ų031.8 Ų31.80%017%0.172CC..  trans68.518.7-179.800000114.5G382 G383 P517 N520 A526G382-G529 WeakPolarHBondContact CA-O 3.34Å; G383-G529 PolarHBondContact N-O 2.83Å; P517-G529 WeakPolarHBondContact O-CA 3.43Å; N520-G529 PolarHBondContact ND2-O 3.5Å; N520-G529 VanDerWaalsContact ND2-O 3.14Å; A526-G529 PolarHBondContact O-N 3.45Å
530E94.4Very high94Very high7 Ų731.6 Ų31.63%0.03317%0.169CC..BIsolated β-bridgetrans-61.6139-176.361.4-92.4-133.400112.7H379 G380 E381 A526 P527 K528 G533H379-E530 IonicContact CE1-OE1 3.01Å; H379-E530 IonicContact CG-OE1 2.75Å; H379-E530 IonicContact ND1-OE1 3.54Å; H379-E530 PolarHBondContact ND1-OE1 2.82Å; G380-E530 WeakPolarHBondContact O-CB 3.24Å; E381-E530 VanDerWaalsContact O-CA 3.31Å; E381-E530 WeakPolarHBondContact O-CA 3.43Å; A526-E530 VanDerWaalsContact C-OE2 3.27Å; A526-E530 HydrophobicContact CB-CG 4.12Å; P527-E530 WeakPolarHBondContact CD-OE1 3.28Å; K528-E530 VanDerWaalsContact C-OE2 3.23Å; K528-E530 VanDerWaalsContact CA-OE2 3.28Å; K528-E530 WeakPolarHBondContact CA-OE2 3.35Å; K528-E530 PolarHBondContact N-OE2 2.87Å; K528-E530 PolarHBondContact O-N 3.46Å; E530-G533 WeakPolarHBondContact CG-O 3.09Å
531M91.4Very high94Very high29 Ų2930.9 Ų30.914%0.14317%0.165CC..SBendtrans-78.8-31.2179.6-66.4-175.9-75.500112.6E381 V459 F461E381-M531 PolarHBondContact O-N 3.1Å; V459-M531 HydrophobicContact CG1-SD 3.87Å; F461-M531 HydrophobicContact CD1-CE 3.44Å; F461-M531 VanDerWaalsContact CD1-CE 3.44Å; F461-M531 HydrophobicContact CE1-CE 3.23Å; F461-M531 HydrophobicContact CG-CE 4.48Å; F461-M531 HydrophobicContact CZ-CE 4.16Å
532Y93.4Very high93.9Very high49 Ų4931.6 Ų31.619%0.19217%0.168CC..SBendtrans-122.418.5-168.8-59.6-58.5000114.1G260 T261 H536 C568G260-Y532 WeakPolarHBondContact O-CE2 3.48Å; G260-Y532 PolarHBondContact O-OH 2.76Å; T261-Y532 VanDerWaalsContact C-CE2 3.44Å; T261-Y532 VanDerWaalsContact CA-OH 3.31Å; T261-Y532 WeakPolarHBondContact CA-OH 3.26Å; T261-Y532 WeakPolarHBondContact O-CE1 3.47Å; T261-Y532 WeakPolarHBondContact O-CE2 3.19Å; T261-Y532 PolarHBondContact O-OH 2.81Å; Y532-H536 PolarHBondContact O-CE1 2.99Å; Y532-C568 HydrophobicContact CD1-CB 3.71Å; Y532-C568 HydrophobicContact CG-CB 3.89Å
533G93.2Very high94Very high6 Ų627.2 Ų27.26%0.06215%0.148CC..SBendtrans68.1-132.7179.900000111.7G380 E530 D535 D564G380-G533 WeakPolarHBondContact CA-O 3.46Å; G380-G533 PolarHBondContact N-O 3.39Å; E530-G533 WeakPolarHBondContact CG-O 3.09Å; G533-D535 PolarHBondContact O-N 2.73Å; G533-D564 WeakPolarHBondContact CA-OD1 3.46Å
534V94.9Very high94.1Very high3 Ų327.3 Ų27.32%0.01815%0.151CC..BIsolated β-bridgetrans-56137.5172.5170.50000110.5I352 F353 V377 H536 R540 D564I352-V534 HydrophobicContact CG2-CG2 3.41Å; I352-V534 VanDerWaalsContact CG2-CG2 3.41Å; F353-V534 HydrophobicContact CD2-CG2 4.3Å; F353-V534 HydrophobicContact CE2-CG2 3.67Å; F353-V534 HydrophobicContact CZ-CG2 4.32Å; V377-V534 HydrophobicContact CB-CG1 3.71Å; V377-V534 HydrophobicContact CB-CG2 3.98Å; V377-V534 HydrophobicContact CG1-CG1 3.64Å; V377-V534 HydrophobicContact CG1-CG2 4.07Å; V377-V534 HydrophobicContact CG2-CG2 4.49Å; V534-H536 PolarHBondContact O-CE1 3.36Å; V534-H536 PolarHBondContact O-ND1 3.49Å; V534-R540 PolarHBondContact O-NH1 3.45Å; V534-D564 HydrophobicContact CG2-CB 4.09Å; V534-D564 PolarHBondContact N-OD1 2.91Å
535D94.6Very high94.2Very high13 Ų1325.4 Ų25.47%0.0714%0.141CC..  trans-49.6146.1177.2177.984000114N264 K378 G533 G537 R540N264-D535 PolarHBondContact ND2-OD1 3.27Å; N264-D535 PolarHBondContact OD1-OD1 3.32Å; K378-D535 HydrophobicContact CD-CB 4.2Å; K378-D535 VanDerWaalsContact CE-OD1 3.3Å; K378-D535 WeakPolarHBondContact CE-OD1 3.3Å; K378-D535 WeakPolarHBondContact CE-OD2 3.49Å; K378-D535 HydrophobicContact CG-CB 3.47Å; K378-D535 VanDerWaalsContact CG-CB 3.47Å; K378-D535 IonicContact NZ-OD1 2.88Å; K378-D535 IonicContact NZ-OD2 2.72Å; K378-D535 WeakPolarHBondContact O-CB 3.46Å; K378-D535 PolarHBondContact O-N 3.21Å; G533-D535 PolarHBondContact O-N 2.73Å; D535-G537 VanDerWaalsContact OD2-CA 3.31Å; D535-G537 WeakPolarHBondContact OD2-CA 3.4Å; D535-G537 PolarHBondContact OD2-N 2.95Å; D535-R540 WeakPolarHBondContact O-CD 3.27Å; D535-R540 PolarHBondContact O-NH1 3.22Å
536H93.7Very high94.2Very high0 Ų025 Ų250%014%0.137CC..  trans-110.730.6-179.7-70.674.8000112.8N264 M273 Y532 V534 R540 F541 C568N264-H536 WeakPolarHBondContact OD1-CA 3.29Å; N264-H536 PolarHBondContact OD1-N 3.19Å; N264-H536 VanDerWaalsContact OD1-N 3.14Å; N264-H536 PolarHBondContact OD1-O 3.34Å; M273-H536 HydrophobicContact CG-CB 4.49Å; Y532-H536 PolarHBondContact O-CE1 2.99Å; V534-H536 PolarHBondContact O-CE1 3.36Å; V534-H536 PolarHBondContact O-ND1 3.49Å; H536-R540 PolarHBondContact CE1-NH1 2.87Å; H536-R540 PolarHBondContact NE2-NH1 2.78Å; H536-R540 PolarHBondContact NE2-NH2 3.02Å; H536-F541 HydrophobicContact CB-CE2 4.27Å; H536-F541 WeakPolarHBondContact O-CE2 3.41Å; H536-C568 WeakPolarHBondContact CE1-CB 3.31Å; H536-C568 WeakPolarHBondContact NE2-CB 3.43Å; H536-C568 PolarHBondContact NE2-N 2.65Å
537G94.4Very high94.1Very high4 Ų424.8 Ų24.84%0.04114%0.135CC..BIsolated β-bridgetrans-73.3176.1175.200000113.4N264 D268 D535 A539 R540 F541N264-G537 PolarHBondContact OD1-N 3.45Å; N264-G537 VanDerWaalsContact OD1-N 3.14Å; D268-G537 CarbonylContact O-C 3.52Å; D268-G537 WeakPolarHBondContact O-CA 3.47Å; D535-G537 VanDerWaalsContact OD2-CA 3.31Å; D535-G537 WeakPolarHBondContact OD2-CA 3.4Å; D535-G537 PolarHBondContact OD2-N 2.95Å; G537-A539 VanDerWaalsContact C-N 3.27Å; G537-A539 PolarHBondContact O-N 3.45Å; G537-A539 VanDerWaalsContact O-N 3.13Å; G537-R540 WeakPolarHBondContact O-CB 3.38Å; G537-R540 PolarHBondContact O-N 3.07Å; G537-R540 VanDerWaalsContact O-N 3.11Å; G537-F541 WeakPolarHBondContact O-CD2 3.36Å
538I96.7Very high94Very high54 Ų5425.5 Ų25.528%0.27714%0.139SC..G310 helixtrans-48.7-43.9-174.8-67.3159.6000113.4D268 R540 F541D268-I538 WeakPolarHBondContact O-CG1 3.22Å; D268-I538 PolarHBondContact O-N 3.01Å; I538-R540 VanDerWaalsContact C-N 3.25Å; I538-R540 PolarHBondContact O-N 3.43Å; I538-F541 PolarHBondContact O-N 2.88Å; I538-F541 VanDerWaalsContact O-N 3.11Å
539A94.4Very high94Very high76 Ų7621.8 Ų21.863%0.62812%0.123SC*.G310 helixtrans-58.5-34.2-175.800000113.5G537 F541 N542G537-A539 VanDerWaalsContact C-N 3.27Å; G537-A539 PolarHBondContact O-N 3.45Å; G537-A539 VanDerWaalsContact O-N 3.13Å; A539-F541 VanDerWaalsContact C-N 3.26Å; A539-F541 PolarHBondContact O-N 3.32Å; A539-N542 VanDerWaalsContact O-CB 3.29Å; A539-N542 WeakPolarHBondContact O-CB 3.41Å; A539-N542 PolarHBondContact O-N 3.04Å
540R94.4Very high94Very high13 Ų1322.9 Ų22.95%0.04913%0.127CC..G310 helixtrans-65.7-28.5180173.6161-178.2163.50.8113.1V534 D535 H536 G537 I538 N542 F545 Q563 D564 F566V534-R540 PolarHBondContact O-NH1 3.45Å; D535-R540 WeakPolarHBondContact O-CD 3.27Å; D535-R540 PolarHBondContact O-NH1 3.22Å; H536-R540 PolarHBondContact CE1-NH1 2.87Å; H536-R540 PolarHBondContact NE2-NH1 2.78Å; H536-R540 PolarHBondContact NE2-NH2 3.02Å; G537-R540 WeakPolarHBondContact O-CB 3.38Å; G537-R540 PolarHBondContact O-N 3.07Å; G537-R540 VanDerWaalsContact O-N 3.11Å; I538-R540 VanDerWaalsContact C-N 3.25Å; I538-R540 PolarHBondContact O-N 3.43Å; R540-N542 VanDerWaalsContact C-N 3.26Å; R540-N542 PolarHBondContact O-N 2.86Å; R540-F545 HydrophobicContact CB-CE1 4.39Å; R540-F545 HydrophobicContact CB-CE2 4.4Å; R540-F545 HydrophobicContact CB-CZ 4.29Å; R540-F545 HydrophobicContact CG-CD1 4.01Å; R540-F545 HydrophobicContact CG-CE1 3.59Å; R540-F545 HydrophobicContact CG-CE2 4.36Å; R540-F545 HydrophobicContact CG-CZ 3.77Å; R540-F545 WeakPolarHBondContact O-CD1 3.34Å; R540-F545 WeakPolarHBondContact O-CG 3.45Å; R540-Q563 PolarHBondContact NH2-O 3.31Å; R540-D564 PolarHBondContact NH2-O 3.04Å; R540-F566 PolarHBondContact NH2-O 2.78Å
541F93.6Very high94.1Very high3 Ų322.6 Ų22.61%0.01313%0.126CC..G310 helixtrans-909.2-176.5-65.9-85.3000113.2F230 Y231 A234 M273 H536 G537 I538 A539 L567F230-F541 HydrophobicContact CE1-CD1 4.31Å; F230-F541 AromaticContact CZ-CD1 3.79Å; F230-F541 HydrophobicContact CZ-CD1 3.79Å; F230-F541 HydrophobicContact CZ-CE1 4.29Å; Y231-F541 WeakPolarHBondContact CD1-O 3.3Å; Y231-F541 WeakPolarHBondContact CE1-O 3.44Å; A234-F541 HydrophobicContact CB-CB 3.9Å; A234-F541 WeakPolarHBondContact CB-O 3.48Å; M273-F541 HydrophobicContact CB-CD2 4.17Å; M273-F541 HydrophobicContact CB-CE1 3.92Å; M273-F541 HydrophobicContact CB-CE2 3.59Å; M273-F541 HydrophobicContact CB-CZ 3.46Å; M273-F541 VanDerWaalsContact CB-CZ 3.46Å; M273-F541 HydrophobicContact CG-CE1 4.33Å; M273-F541 HydrophobicContact CG-CE2 3.92Å; M273-F541 HydrophobicContact CG-CZ 3.57Å; M273-F541 HydrophobicContact SD-CE1 3.86Å; M273-F541 HydrophobicContact SD-CE2 4.28Å; M273-F541 HydrophobicContact SD-CZ 3.36Å; M273-F541 WeakPolarHBondContact SD-CZ 2.91Å; H536-F541 HydrophobicContact CB-CE2 4.27Å; H536-F541 WeakPolarHBondContact O-CE2 3.41Å; G537-F541 WeakPolarHBondContact O-CD2 3.36Å; I538-F541 PolarHBondContact O-N 2.88Å; I538-F541 VanDerWaalsContact O-N 3.11Å; A539-F541 VanDerWaalsContact C-N 3.26Å; A539-F541 PolarHBondContact O-N 3.32Å; F541-L567 HydrophobicContact CE1-CD2 3.49Å; F541-L567 VanDerWaalsContact CE1-CD2 3.49Å; F541-L567 HydrophobicContact CZ-CD2 3.66Å
542N92.7Very high94.4Very high54 Ų5424.7 Ų24.729%0.28914%0.135SC..SBendtrans-67.4137169.1-178.2-23.8000111A539 R540 E544 F545 T546A539-N542 VanDerWaalsContact O-CB 3.29Å; A539-N542 WeakPolarHBondContact O-CB 3.41Å; A539-N542 PolarHBondContact O-N 3.04Å; R540-N542 VanDerWaalsContact C-N 3.26Å; R540-N542 PolarHBondContact O-N 2.86Å; N542-E544 VanDerWaalsContact C-N 3.29Å; N542-E544 PolarHBondContact ND2-OE2 3.3Å; N542-E544 PolarHBondContact O-N 3.36Å; N542-E544 PolarHBondContact OD1-N 3.17Å; N542-E544 PolarHBondContact OD1-OE2 2.97Å; N542-F545 HydrophobicContact CB-CB 4.32Å; N542-F545 WeakPolarHBondContact O-CB 3.33Å; N542-F545 PolarHBondContact O-N 3.46Å; N542-T546 PolarHBondContact O-N 2.83Å; N542-T546 PolarHBondContact O-OG1 2.84Å
543P93.5Very high94.6Very high5 Ų523.1 Ų23.13%0.03213%0.131CC..Hα-helixtrans-48.2-41.7167.5-27.333.1000115.6L207 I219 V224 Y231 F545 T546 A547L207-P543 HydrophobicContact CD2-CB 4.15Å; I219-P543 HydrophobicContact CD1-CB 4.07Å; I219-P543 WeakPolarHBondContact CD1-O 3.44Å; I219-P543 HydrophobicContact CG1-CB 3.79Å; I219-P543 HydrophobicContact CG2-CB 4.44Å; V224-P543 HydrophobicContact CG1-CB 4.14Å; V224-P543 HydrophobicContact CG1-CG 3.91Å; Y231-P543 HydrophobicContact CD1-CB 4.43Å; Y231-P543 HydrophobicContact CD1-CG 3.51Å; Y231-P543 HydrophobicContact CE1-CB 4.39Å; Y231-P543 HydrophobicContact CE1-CG 3.93Å; Y231-P543 HydrophobicContact CG-CG 3.85Å; P543-F545 PolarHBondContact O-N 2.88Å; P543-T546 WeakPolarHBondContact O-CB 3.45Å; P543-T546 PolarHBondContact O-N 3.2Å; P543-A547 PolarHBondContact O-N 3.25Å
544E92.9Very high94.7Very high84 Ų8425.2 Ų25.239%0.39314%0.143SC..Hα-helixtrans-63.1-40.8178.1-70.488.6-124.300112I219 N542 A547 T548I219-E544 HydrophobicContact CG2-CG 3.97Å; I219-E544 WeakPolarHBondContact CG2-OE1 3.31Å; N542-E544 VanDerWaalsContact C-N 3.29Å; N542-E544 PolarHBondContact ND2-OE2 3.3Å; N542-E544 PolarHBondContact O-N 3.36Å; N542-E544 PolarHBondContact OD1-N 3.17Å; N542-E544 PolarHBondContact OD1-OE2 2.97Å; E544-A547 PolarHBondContact O-N 3.48Å; E544-T548 WeakPolarHBondContact O-CB 3.26Å; E544-T548 PolarHBondContact O-N 3.02Å; E544-T548 VanDerWaalsContact O-N 3.08Å; E544-T548 PolarHBondContact O-OG1 2.98Å
545F94.6Very high94.9Very high11 Ų1125.4 Ų25.45%0.04814%0.144CC..Hα-helixtrans-60.3-48.5172.5-178.5-78.3000110.1L376 V377 R540 N542 P543 A547 T548 I549L376-F545 HydrophobicContact CB-CD2 4.12Å; L376-F545 HydrophobicContact CB-CE2 4.28Å; L376-F545 WeakPolarHBondContact O-CE2 3.45Å; V377-F545 HydrophobicContact CG1-CE2 3.74Å; V377-F545 HydrophobicContact CG1-CZ 3.95Å; R540-F545 HydrophobicContact CB-CE1 4.39Å; R540-F545 HydrophobicContact CB-CE2 4.4Å; R540-F545 HydrophobicContact CB-CZ 4.29Å; R540-F545 HydrophobicContact CG-CD1 4.01Å; R540-F545 HydrophobicContact CG-CE1 3.59Å; R540-F545 HydrophobicContact CG-CE2 4.36Å; R540-F545 HydrophobicContact CG-CZ 3.77Å; R540-F545 WeakPolarHBondContact O-CD1 3.34Å; R540-F545 WeakPolarHBondContact O-CG 3.45Å; N542-F545 HydrophobicContact CB-CB 4.32Å; N542-F545 WeakPolarHBondContact O-CB 3.33Å; N542-F545 PolarHBondContact O-N 3.46Å; P543-F545 PolarHBondContact O-N 2.88Å; F545-A547 VanDerWaalsContact C-N 3.29Å; F545-A547 PolarHBondContact O-N 2.99Å; F545-T548 PolarHBondContact O-N 3.27Å; F545-I549 HydrophobicContact CD1-CB 4.32Å; F545-I549 HydrophobicContact CD1-CG1 4.13Å; F545-I549 HydrophobicContact CD2-CG1 4.19Å; F545-I549 HydrophobicContact CE1-CB 3.84Å; F545-I549 HydrophobicContact CE1-CG1 3.71Å; F545-I549 HydrophobicContact CE1-CG2 4.3Å; F545-I549 HydrophobicContact CE2-CG1 3.82Å; F545-I549 HydrophobicContact CG-CG1 4.35Å; F545-I549 HydrophobicContact CZ-CB 4.14Å; F545-I549 HydrophobicContact CZ-CG1 3.56Å; F545-I549 HydrophobicContact CZ-CG2 4.43Å; F545-I549 PolarHBondContact O-N 3.16Å
546T93.5Very high95.1Very high2 Ų230.7 Ų30.71%0.01217%0.166CC..Hα-helixtrans-56.4-43.6-179.8-59.80000111.8M204 L207 K208 Y231 N542 P543 T548M204-T546 HydrophobicContact CG-CG2 3.7Å; L207-T546 HydrophobicContact CB-CG2 3.97Å; L207-T546 HydrophobicContact CD2-CG2 3.88Å; L207-T546 HydrophobicContact CG-CG2 4.08Å; K208-T546 HydrophobicContact CD-CG2 4.35Å; K208-T546 HydrophobicContact CG-CG2 3.62Å; K208-T546 WeakPolarHBondContact CG-O 3.48Å; Y231-T546 WeakPolarHBondContact OH-CB 3.49Å; Y231-T546 VanDerWaalsContact OH-CG2 3.26Å; Y231-T546 WeakPolarHBondContact OH-CG2 3.27Å; Y231-T546 PolarHBondContact OH-OG1 3.26Å; N542-T546 PolarHBondContact O-N 2.83Å; N542-T546 PolarHBondContact O-OG1 2.84Å; P543-T546 WeakPolarHBondContact O-CB 3.45Å; P543-T546 PolarHBondContact O-N 3.2Å; T546-T548 VanDerWaalsContact C-N 3.32Å
547A93.1Very high95.3Very high5 Ų532.5 Ų32.54%0.04118%0.176CC..Hα-helixtrans-74.3-21.7179.800000113.6L212 A215 I219 P543 E544 F545 R550L212-A547 HydrophobicContact CD1-CB 4.47Å; L212-A547 WeakPolarHBondContact CD1-O 3.48Å; A215-A547 HydrophobicContact CB-CB 4.17Å; I219-A547 HydrophobicContact CD1-CB 3.56Å; P543-A547 PolarHBondContact O-N 3.25Å; E544-A547 PolarHBondContact O-N 3.48Å; F545-A547 VanDerWaalsContact C-N 3.29Å; F545-A547 PolarHBondContact O-N 2.99Å; A547-R550 WeakPolarHBondContact O-CD 3.18Å; A547-R550 PolarHBondContact O-NE 3.01Å
548T93.9Very high95.5Very high37 Ų3732.4 Ų32.423%0.22717%0.174CC..Hα-helixtrans-92.5-42.5-176.6-55.90000112.7Q373 L376 E544 F545 T546 R550Q373-T548 HydrophobicContact CG-CG2 4.08Å; Q373-T548 PolarHBondContact NE2-O 3.4Å; L376-T548 HydrophobicContact CD1-CG2 3.55Å; E544-T548 WeakPolarHBondContact O-CB 3.26Å; E544-T548 PolarHBondContact O-N 3.02Å; E544-T548 VanDerWaalsContact O-N 3.08Å; E544-T548 PolarHBondContact O-OG1 2.98Å; F545-T548 PolarHBondContact O-N 3.27Å; T546-T548 VanDerWaalsContact C-N 3.32Å; T548-R550 PolarHBondContact O-N 3.37Å
549I95.3Very high95.6Very high3 Ų331.9 Ų31.92%0.01517%0.169CC..SBendtrans-89.1102.7177.3-55.3-55.6000108.5K208 I352 Q373 V377 F545K208-I549 PolarHBondContact NZ-O 2.85Å; I352-I549 HydrophobicContact CD1-CD1 4.09Å; Q373-I549 HydrophobicContact CB-CD1 3.85Å; Q373-I549 HydrophobicContact CG-CD1 3.92Å; V377-I549 HydrophobicContact CG1-CD1 4.41Å; F545-I549 HydrophobicContact CD1-CB 4.32Å; F545-I549 HydrophobicContact CD1-CG1 4.13Å; F545-I549 HydrophobicContact CD2-CG1 4.19Å; F545-I549 HydrophobicContact CE1-CB 3.84Å; F545-I549 HydrophobicContact CE1-CG1 3.71Å; F545-I549 HydrophobicContact CE1-CG2 4.3Å; F545-I549 HydrophobicContact CE2-CG1 3.82Å; F545-I549 HydrophobicContact CG-CG1 4.35Å; F545-I549 HydrophobicContact CZ-CB 4.14Å; F545-I549 HydrophobicContact CZ-CG1 3.56Å; F545-I549 HydrophobicContact CZ-CG2 4.43Å; F545-I549 PolarHBondContact O-N 3.16Å
550R95.6Very high95.8Very high23 Ų2328.5 Ų28.59%0.08714%0.141CC..  trans-131.1166.9-174.8-69.2-175.1175.5-142.4-6.4110.4L207 K208 C210 A215 A547 T548 Q552L207-R550 PolarHBondContact O-NH2 3.43Å; K208-R550 PolarHBondContact O-NH1 3.17Å; C210-R550 PolarHBondContact O-NH1 3.16Å; C210-R550 PolarHBondContact O-NH2 3.3Å; C210-R550 VanDerWaalsContact O-NH2 3.12Å; A215-R550 VanDerWaalsContact CB-NH2 3.28Å; A547-R550 WeakPolarHBondContact O-CD 3.18Å; A547-R550 PolarHBondContact O-NE 3.01Å; T548-R550 PolarHBondContact O-N 3.37Å; R550-Q552 VanDerWaalsContact C-N 3.31Å; R550-Q552 PolarHBondContact O-N 2.59Å
551P97.1Very high96Very high0 Ų028 Ų280%014%0.139CC..SBendtrans-58.9-39.9172.2-22.831.8000113.4T553 Y559 L560 V565 T579 C580 V583P551-T553 PolarHBondContact O-N 3.26Å; P551-Y559 CarbonylContact O-C 3.53Å; P551-Y559 WeakPolarHBondContact O-CA 3.34Å; P551-L560 WeakPolarHBondContact CA-O 3.4Å; P551-L560 PolarHBondContact O-N 3.46Å; P551-V565 HydrophobicContact CG-CG1 3.9Å; P551-T579 HydrophobicContact CG-CG2 3.69Å; P551-C580 HydrophobicContact CB-CB 3.86Å; P551-C580 HydrophobicContact CG-CB 4.18Å; P551-V583 HydrophobicContact CB-CB 4.47Å; P551-V583 HydrophobicContact CB-CG2 4.22Å; P551-V583 HydrophobicContact CG-CG2 4.02Å
552Q96.6Very high96.2Very high74 Ų7427.9 Ų27.935%0.34614%0.139SC..BIsolated β-bridgetrans-71.3126.5176-58.189.8-2600110.3R550 Y559 V583R550-Q552 VanDerWaalsContact C-N 3.31Å; R550-Q552 PolarHBondContact O-N 2.59Å; Q552-Y559 HydrophobicContact CG-CD1 4.31Å; Q552-Y559 HydrophobicContact CG-CE1 4.04Å; Q552-V583 HydrophobicContact CG-CG1 3.66Å
553T97.4Very high96.3Very high16 Ų1627.7 Ų27.710%0.09814%0.136CC..  trans-85.7167.9168.4760000110.4Y356 P551 L555 L558 L560Y356-T553 HydrophobicContact CE1-CG2 4Å; Y356-T553 WeakPolarHBondContact OH-CB 3.5Å; Y356-T553 VanDerWaalsContact OH-CG2 3.3Å; Y356-T553 WeakPolarHBondContact OH-CG2 3.4Å; P551-T553 PolarHBondContact O-N 3.26Å; T553-L555 PolarHBondContact O-N 3Å; T553-L555 PolarHBondContact OG1-N 3.41Å; T553-L555 VanDerWaalsContact OG1-N 3.13Å; T553-L555 PolarHBondContact OG1-O 3.23Å; T553-L558 WeakPolarHBondContact CB-O 3.46Å; T553-L558 HydrophobicContact CG2-CD2 4.29Å; T553-L558 HydrophobicContact CG2-CG 3.95Å; T553-L558 WeakPolarHBondContact CG2-O 3.27Å; T553-L558 PolarHBondContact N-O 2.96Å; T553-L558 WeakPolarHBondContact OG1-CB 3.35Å; T553-L558 PolarHBondContact OG1-O 3.36Å; T553-L560 HydrophobicContact CG2-CD1 4.26Å; T553-L560 HydrophobicContact CG2-CD2 4.41Å; T553-L560 HydrophobicContact CG2-CG 3.77Å
554P96.6Very high96.4Very high49 Ų4928 Ų2832%0.31814%0.137SC..SBendtrans-59.9-16.3168.1-24.635.5000114.2M367 E369 I370M367-P554 HydrophobicContact CE-CB 4.32Å; E369-P554 HydrophobicContact CB-CB 3.74Å; E369-P554 HydrophobicContact CB-CG 3.45Å; E369-P554 VanDerWaalsContact CB-CG 3.45Å; E369-P554 HydrophobicContact CG-CB 4.46Å; I370-P554 HydrophobicContact CD1-CB 4.39Å; I370-P554 HydrophobicContact CD1-CG 3.88Å; I370-P554 HydrophobicContact CG1-CG 4.33Å
555L98.1Very high96.6Very high8 Ų824 Ų244%0.04212%0.119CC..SBendtrans-95.8125.3-179.3-65.2168.3000110F321 L360 L364 M367 T553 L558F321-L555 HydrophobicContact CE1-CB 4.2Å; F321-L555 HydrophobicContact CE1-CD1 3.91Å; F321-L555 HydrophobicContact CE1-CD2 4.31Å; F321-L555 HydrophobicContact CE1-CG 4.37Å; F321-L555 HydrophobicContact CZ-CD1 3.82Å; L360-L555 HydrophobicContact CD1-CD1 3.74Å; L360-L555 HydrophobicContact CD2-CD1 3.59Å; L360-L555 HydrophobicContact CG-CD1 4.34Å; L364-L555 HydrophobicContact CB-CD1 4.34Å; L364-L555 HydrophobicContact CD1-CD1 4.15Å; L364-L555 HydrophobicContact CD1-CD2 4.02Å; L364-L555 HydrophobicContact CD2-CD2 4.16Å; L364-L555 HydrophobicContact CG-CD2 4.49Å; M367-L555 HydrophobicContact CE-CD2 4.2Å; M367-L555 HydrophobicContact SD-CD2 3.6Å; M367-L555 HydrophobicContact SD-CG 4.39Å; T553-L555 PolarHBondContact O-N 3Å; T553-L555 PolarHBondContact OG1-N 3.41Å; T553-L555 VanDerWaalsContact OG1-N 3.13Å; T553-L555 PolarHBondContact OG1-O 3.23Å; L555-L558 HydrophobicContact CB-CB 4.08Å; L555-L558 HydrophobicContact CB-CD2 4.22Å; L555-L558 HydrophobicContact CD1-CD2 3.92Å; L555-L558 PolarHBondContact O-N 3.34Å
556K98.2Very high96.6Very high124 Ų12424.2 Ų24.254%0.53912%0.12SC..THydrogen-bonded Turntrans-61.9142.3-179.7-176.9169.1163.7-158.20110.6E326 A327 L558E326-K556 HydrophobicContact CB-CB 4.34Å; E326-K556 HydrophobicContact CG-CB 4.14Å; E326-K556 HydrophobicContact CG-CD 4.16Å; E326-K556 HydrophobicContact CG-CG 4.37Å; E326-K556 VanDerWaalsContact OE1-CD 3.24Å; E326-K556 WeakPolarHBondContact OE1-CD 3.31Å; E326-K556 VanDerWaalsContact OE1-CE 3.28Å; E326-K556 WeakPolarHBondContact OE1-CE 3.28Å; E326-K556 IonicContact OE1-NZ 2.68Å; E326-K556 PolarHBondContact OE1-NZ 2.92Å; A327-K556 PolarHBondContact N-O 3.35Å; K556-L558 PolarHBondContact O-N 3.45Å; K556-L558 VanDerWaalsContact O-N 3.13Å
557N98.6Very high96.7Very high38 Ų3824.8 Ų24.820%0.20312%0.122CC..THydrogen-bonded Turntrans64.12.2-176.3-56.4-19.7000115.7A327 P344 V346A327-N557 HydrophobicContact CB-CB 4.26Å; A327-N557 WeakPolarHBondContact O-CB 3.29Å; A327-N557 PolarHBondContact O-ND2 2.77Å; P344-N557 VanDerWaalsContact O-CB 3.28Å; P344-N557 WeakPolarHBondContact O-CB 3.3Å; P344-N557 VanDerWaalsContact O-CG 3.27Å; P344-N557 PolarHBondContact O-ND2 3.41Å; V346-N557 PolarHBondContact N-O 3.4Å
558L98.9Very high96.7Very high1 Ų125.1 Ų25.11%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-102.7125.2172179.363000110.4I319 F321 A327 V346 T355 L360 T553 L555 K556I319-L558 HydrophobicContact CD1-CD1 3.79Å; I319-L558 HydrophobicContact CD1-CD2 4.2Å; F321-L558 HydrophobicContact CZ-CD2 4.46Å; A327-L558 HydrophobicContact CB-CB 3.98Å; V346-L558 HydrophobicContact CB-CD1 4.09Å; V346-L558 HydrophobicContact CG1-CD1 3.88Å; V346-L558 WeakPolarHBondContact O-CA 3.16Å; T355-L558 HydrophobicContact CG2-CD2 4.36Å; L360-L558 HydrophobicContact CD2-CD2 3.83Å; T553-L558 WeakPolarHBondContact CB-O 3.46Å; T553-L558 HydrophobicContact CG2-CD2 4.29Å; T553-L558 HydrophobicContact CG2-CG 3.95Å; T553-L558 WeakPolarHBondContact CG2-O 3.27Å; T553-L558 PolarHBondContact N-O 2.96Å; T553-L558 WeakPolarHBondContact OG1-CB 3.35Å; T553-L558 PolarHBondContact OG1-O 3.36Å; L555-L558 HydrophobicContact CB-CB 4.08Å; L555-L558 HydrophobicContact CB-CD2 4.22Å; L555-L558 HydrophobicContact CD1-CD2 3.92Å; L555-L558 PolarHBondContact O-N 3.34Å; K556-L558 PolarHBondContact O-N 3.45Å; K556-L558 VanDerWaalsContact O-N 3.13Å
559Y98.9Very high96.7Very high43 Ų4324.6 Ų24.617%0.16913%0.127CC..EExtended strand (participates in β ladder)trans-125.2154.9179.9-57.5-94000111.6M345 V346 I347 S348 P551 Q552 V583 I584M345-Y559 HydrophobicContact CG-CE2 4.27Å; M345-Y559 HydrophobicContact SD-CE2 4.23Å; V346-Y559 PolarHBondContact O-N 3.45Å; I347-Y559 CarbonylContact C-O 3.54Å; I347-Y559 WeakPolarHBondContact CA-O 3.44Å; I347-Y559 HydrophobicContact CG1-CD2 4.39Å; S348-Y559 PolarHBondContact N-O 3.01Å; P551-Y559 CarbonylContact O-C 3.53Å; P551-Y559 WeakPolarHBondContact O-CA 3.34Å; Q552-Y559 HydrophobicContact CG-CD1 4.31Å; Q552-Y559 HydrophobicContact CG-CE1 4.04Å; Y559-V583 HydrophobicContact CD1-CG1 4.1Å; Y559-V583 HydrophobicContact CE1-CG1 3.76Å; Y559-I584 HydrophobicContact CD1-CG1 4.31Å; Y559-I584 HydrophobicContact CE1-CG1 4.29Å; Y559-I584 HydrophobicContact CG-CD1 4.49Å; Y559-I584 HydrophobicContact CG-CG1 4.48Å
560L98.8Very high96.7Very high5 Ų525.1 Ų25.13%0.02613%0.129CC..EExtended strand (participates in β ladder)trans-107.4148.7169-61.6176.3000110.2S348 I352 T355 Y356 P551 T553 V565 C580S348-L560 WeakPolarHBondContact O-CA 3.32Å; I352-L560 HydrophobicContact CD1-CD1 4.38Å; I352-L560 HydrophobicContact CG1-CD1 4.13Å; T355-L560 HydrophobicContact CG2-CD2 3.87Å; Y356-L560 HydrophobicContact CE1-CD1 4.47Å; P551-L560 WeakPolarHBondContact CA-O 3.4Å; P551-L560 PolarHBondContact O-N 3.46Å; T553-L560 HydrophobicContact CG2-CD1 4.26Å; T553-L560 HydrophobicContact CG2-CD2 4.41Å; T553-L560 HydrophobicContact CG2-CG 3.77Å; L560-V565 HydrophobicContact CB-CG2 3.36Å; L560-C580 PolarHBondContact O-SG 2.87Å
561T98.7Very high96.7Very high3 Ų325.4 Ų25.42%0.01814%0.136CC..  trans-138.3-176.9169.3-163.20000111.3L78 I347 S348 D349 G576 A577L78-T561 HydrophobicContact CD2-CG2 4.08Å; I347-T561 HydrophobicContact CG2-CG2 3.96Å; S348-T561 PolarHBondContact O-N 3Å; D349-T561 HydrophobicContact CB-CG2 3.71Å; T561-G576 PolarHBondContact OG1-O 3.43Å; T561-A577 WeakPolarHBondContact OG1-CA 3.37Å; T561-A577 PolarHBondContact OG1-N 2.94Å
562G97.3Very high96.6Very high0 Ų025.8 Ų25.80%014%0.14CC..SBendtrans78.2-158.7176.100000115.1D349 D564 V565 F566D349-G562 VanDerWaalsContact OD1-CA 3.22Å; D349-G562 WeakPolarHBondContact OD1-CA 3.37Å; D349-G562 PolarHBondContact OD1-N 2.67Å; G562-D564 PolarHBondContact O-N 3.27Å; G562-V565 PolarHBondContact O-N 3.31Å; G562-F566 PolarHBondContact O-N 2.75Å
563Q95.6Very high96.6Very high51 Ų5122.7 Ų22.724%0.23813%0.127CC..THydrogen-bonded Turntrans-67.8-33-164.964.6-176.2-5.400114.2R540 V565 F566 L567 A573R540-Q563 PolarHBondContact NH2-O 3.31Å; Q563-V565 VanDerWaalsContact C-N 3.25Å; Q563-V565 PolarHBondContact O-N 3.4Å; Q563-F566 CarbonylContact O-C 3.42Å; Q563-F566 PolarHBondContact O-N 3.3Å; Q563-L567 VanDerWaalsContact CA-O 3.24Å; Q563-L567 WeakPolarHBondContact CA-O 3.41Å; Q563-L567 VanDerWaalsContact CB-O 3.26Å; Q563-L567 WeakPolarHBondContact CB-O 3.46Å; Q563-L567 CarbonylContact O-C 3.58Å; Q563-L567 PolarHBondContact O-N 3.46Å; Q563-A573 HydrophobicContact CB-CB 4.22Å
564D96.1Very high96.7Very high11 Ų1121.9 Ų21.96%0.05912%0.122CC..THydrogen-bonded Turntrans-68.1-28.4-179.4-73-1.5000112.2G351 I352 G533 V534 R540 G562G351-D564 WeakPolarHBondContact CA-OD2 3.31Å; I352-D564 PolarHBondContact N-OD2 3.38Å; G533-D564 WeakPolarHBondContact CA-OD1 3.46Å; V534-D564 HydrophobicContact CG2-CB 4.09Å; V534-D564 PolarHBondContact N-OD1 2.91Å; R540-D564 PolarHBondContact NH2-O 3.04Å; G562-D564 PolarHBondContact O-N 3.27Å
565V95.9Very high96.7Very high1 Ų119.9 Ų19.91%0.00611%0.11CC..THydrogen-bonded Turntrans-80.1-32.1178.8178.30000111.8K208 P551 L560 G562 Q563K208-V565 WeakPolarHBondContact CE-O 3.18Å; K208-V565 PolarHBondContact NZ-O 3.45Å; P551-V565 HydrophobicContact CG-CG1 3.9Å; L560-V565 HydrophobicContact CB-CG2 3.36Å; G562-V565 PolarHBondContact O-N 3.31Å; Q563-V565 VanDerWaalsContact C-N 3.25Å; Q563-V565 PolarHBondContact O-N 3.4Å
566F95.5Very high96.6Very high15 Ų1519.5 Ų19.57%0.06611%0.108CC..SBendtrans-121.5-92.8-173.6-158.6-102.8000111.2I201 M204 A205 K208 R540 G562 Q563 T579I201-F566 HydrophobicContact CD1-CE1 4.21Å; I201-F566 HydrophobicContact CD1-CZ 4.12Å; I201-F566 HydrophobicContact CG1-CE1 4.48Å; I201-F566 HydrophobicContact CG1-CZ 4.3Å; M204-F566 HydrophobicContact CE-CD1 3.95Å; M204-F566 HydrophobicContact CE-CD2 3.62Å; M204-F566 HydrophobicContact CE-CE1 3.68Å; M204-F566 HydrophobicContact CE-CE2 3.33Å; M204-F566 HydrophobicContact CE-CG 3.92Å; M204-F566 HydrophobicContact CE-CZ 3.36Å; A205-F566 HydrophobicContact CB-CE2 4.2Å; A205-F566 HydrophobicContact CB-CZ 4.47Å; K208-F566 HydrophobicContact CD-CD2 4.11Å; R540-F566 PolarHBondContact NH2-O 2.78Å; G562-F566 PolarHBondContact O-N 2.75Å; Q563-F566 CarbonylContact O-C 3.42Å; Q563-F566 PolarHBondContact O-N 3.3Å; F566-T579 WeakPolarHBondContact CD2-OG1 3.38Å
567L94.4Very high96.6Very high13 Ų1313.6 Ų13.67%0.0688%0.083CC..  trans-145.1162.6-177.9-66.2173.3000111.7I201 M204 M273 L276 F541 Q563 G572 A573I201-L567 HydrophobicContact CD1-CD1 3.6Å; M204-L567 HydrophobicContact CE-CD1 3.94Å; M204-L567 HydrophobicContact CE-CD2 4.28Å; M204-L567 HydrophobicContact CE-CG 3.87Å; M204-L567 HydrophobicContact SD-CD2 4.43Å; M273-L567 HydrophobicContact SD-CD2 3.96Å; L276-L567 HydrophobicContact CD1-CD1 3.59Å; F541-L567 HydrophobicContact CE1-CD2 3.49Å; F541-L567 VanDerWaalsContact CE1-CD2 3.49Å; F541-L567 HydrophobicContact CZ-CD2 3.66Å; Q563-L567 VanDerWaalsContact CA-O 3.24Å; Q563-L567 WeakPolarHBondContact CA-O 3.41Å; Q563-L567 VanDerWaalsContact CB-O 3.26Å; Q563-L567 WeakPolarHBondContact CB-O 3.46Å; Q563-L567 CarbonylContact O-C 3.58Å; Q563-L567 PolarHBondContact O-N 3.46Å; L567-G572 CarbonylContact O-C 3.18Å; L567-G572 WeakPolarHBondContact O-CA 3.26Å; L567-A573 PolarHBondContact O-N 2.99Å
568C93.1Very high96.6Very high12 Ų1212.2 Ų12.28%0.0818%0.075CC..SBendtrans-61.5160.4176.652.70000113.6M273 Y532 H536M273-C568 WeakPolarHBondContact CE-SG 3.29Å; Y532-C568 HydrophobicContact CD1-CB 3.71Å; Y532-C568 HydrophobicContact CG-CB 3.89Å; H536-C568 WeakPolarHBondContact CE1-CB 3.31Å; H536-C568 WeakPolarHBondContact NE2-CB 3.43Å; H536-C568 PolarHBondContact NE2-N 2.65Å
569G93.5Very high96.5Very high27 Ų2712.1 Ų12.128%0.2788%0.075SC..Hα-helixtrans74.1-179.6171.600000113.4A571 G572 A573G569-A571 PolarHBondContact O-N 2.75Å; G569-G572 PolarHBondContact O-N 3.45Å; G569-A573 WeakPolarHBondContact O-CB 3.44Å; G569-A573 PolarHBondContact O-N 2.9Å
570F96Very high96.5Very high14 Ų1410.1 Ų10.16%0.0617%0.067CC..Hα-helixtrans-58.4-49.3-173.5-178.8-109.4000113.3V73 I116 I119 F128 L132 W142 I295 L574V73-F570 HydrophobicContact CB-CD2 4.15Å; V73-F570 HydrophobicContact CB-CE2 4.14Å; V73-F570 HydrophobicContact CG1-CD2 3.99Å; V73-F570 HydrophobicContact CG1-CE2 4.42Å; V73-F570 HydrophobicContact CG2-CD2 3.78Å; V73-F570 HydrophobicContact CG2-CE2 3.33Å; V73-F570 HydrophobicContact CG2-CZ 4.21Å; I116-F570 HydrophobicContact CD1-CB 3.76Å; I116-F570 HydrophobicContact CD1-CD2 4.05Å; I116-F570 HydrophobicContact CD1-CG 4.1Å; I119-F570 HydrophobicContact CD1-CB 4.13Å; I119-F570 HydrophobicContact CD1-CD1 3.29Å; I119-F570 HydrophobicContact CD1-CD2 4.48Å; I119-F570 HydrophobicContact CD1-CE1 3.7Å; I119-F570 HydrophobicContact CD1-CG 3.74Å; I119-F570 HydrophobicContact CD1-CZ 4.46Å; I119-F570 HydrophobicContact CG1-CB 4.3Å; I119-F570 HydrophobicContact CG1-CD1 3.98Å; I119-F570 HydrophobicContact CG1-CG 4.39Å; I119-F570 HydrophobicContact CG2-CD1 4.21Å; F128-F570 AromaticContact CZ-CD1 3.9Å; F128-F570 HydrophobicContact CZ-CD1 3.9Å; F128-F570 HydrophobicContact CZ-CE1 4.07Å; L132-F570 HydrophobicContact CD1-CE1 3.88Å; L132-F570 HydrophobicContact CD2-CE1 3.54Å; L132-F570 HydrophobicContact CD2-CZ 3.53Å; L132-F570 HydrophobicContact CG-CE1 4.35Å; W142-F570 HydrophobicContact CH2-CE1 4.06Å; W142-F570 HydrophobicContact CH2-CZ 4.38Å; W142-F570 HydrophobicContact CZ2-CE1 4.35Å; I295-F570 HydrophobicContact CD1-CD2 4.27Å; I295-F570 HydrophobicContact CD1-CE2 3.58Å; I295-F570 HydrophobicContact CD1-CZ 3.91Å; I295-F570 HydrophobicContact CG1-CE2 4.21Å; I295-F570 HydrophobicContact CG1-CZ 4.25Å; I295-F570 HydrophobicContact CG2-CE2 3.86Å; I295-F570 HydrophobicContact CG2-CZ 4.26Å; F570-L574 HydrophobicContact CD1-CD1 4.32Å; F570-L574 HydrophobicContact CE1-CD1 3.88Å; F570-L574 HydrophobicContact CE2-CD1 4.17Å; F570-L574 HydrophobicContact CZ-CD1 3.79Å; F570-L574 PolarHBondContact O-N 3.34Å
571A95.3Very high96.4Very high29 Ų299.9 Ų9.924%0.247%0.066CC..Hα-helixtrans-66.9-40.5-179.800000112.3F128 G569 L574 G575F128-A571 HydrophobicContact CD2-CB 4.28Å; F128-A571 HydrophobicContact CE1-CB 4.03Å; F128-A571 HydrophobicContact CE2-CB 3.53Å; F128-A571 HydrophobicContact CZ-CB 3.38Å; G569-A571 PolarHBondContact O-N 2.75Å; A571-L574 PolarHBondContact O-N 3.33Å; A571-G575 PolarHBondContact O-N 3.22Å
572G95.6Very high96.3Very high7 Ų710 Ų107%0.0727%0.066CC..Hα-helixtrans-66.6-42.6179.100000112.8L567 G569 L574 G575 G576L567-G572 CarbonylContact O-C 3.18Å; L567-G572 WeakPolarHBondContact O-CA 3.26Å; G569-G572 PolarHBondContact O-N 3.45Å; G572-L574 PolarHBondContact O-N 3.48Å; G572-G575 CarbonylContact O-C 3.58Å; G572-G575 WeakPolarHBondContact O-CA 3.32Å; G572-G575 PolarHBondContact O-N 3.37Å; G572-G575 VanDerWaalsContact O-N 3.11Å; G572-G576 PolarHBondContact O-N 3Å
573A97.4Very high96.3Very high9 Ų911.2 Ų11.27%0.0747%0.074CC..Hα-helixtrans-63-40176.300000112.6V73 Q563 L567 G569 G575 G576 A577V73-A573 HydrophobicContact CG1-CB 3.44Å; V73-A573 VanDerWaalsContact CG1-CB 3.44Å; Q563-A573 HydrophobicContact CB-CB 4.22Å; L567-A573 PolarHBondContact O-N 2.99Å; G569-A573 WeakPolarHBondContact O-CB 3.44Å; G569-A573 PolarHBondContact O-N 2.9Å; A573-G575 VanDerWaalsContact C-N 3.34Å; A573-G576 CarbonylContact O-C 3.56Å; A573-G576 WeakPolarHBondContact O-CA 3.04Å; A573-G576 PolarHBondContact O-N 2.88Å; A573-A577 PolarHBondContact O-N 2.95Å
574L97.6Very high96.3Very high0 Ų010.2 Ų10.20%07%0.07CC..Hα-helixtrans-67.7-32.9171.8-75.2173.1000113V73 F128 M131 L132 M135 M299 F570 A571 G572 G576 A577 L578V73-L574 HydrophobicContact CG1-CG 4.33Å; V73-L574 HydrophobicContact CG2-CD1 4.06Å; V73-L574 HydrophobicContact CG2-CD2 3.65Å; V73-L574 HydrophobicContact CG2-CG 3.74Å; F128-L574 HydrophobicContact CE2-CD1 4.29Å; M131-L574 HydrophobicContact CE-CB 3.79Å; M131-L574 HydrophobicContact CE-CD1 3.8Å; M131-L574 HydrophobicContact CE-CG 4.36Å; M131-L574 HydrophobicContact SD-CB 4.42Å; L132-L574 HydrophobicContact CD2-CD1 3.29Å; L132-L574 HydrophobicContact CG-CD1 4.28Å; M135-L574 HydrophobicContact CE-CD2 4.34Å; M135-L574 HydrophobicContact SD-CD2 3.68Å; M299-L574 HydrophobicContact CE-CD2 4.47Å; F570-L574 HydrophobicContact CD1-CD1 4.32Å; F570-L574 HydrophobicContact CE1-CD1 3.88Å; F570-L574 HydrophobicContact CE2-CD1 4.17Å; F570-L574 HydrophobicContact CZ-CD1 3.79Å; F570-L574 PolarHBondContact O-N 3.34Å; A571-L574 PolarHBondContact O-N 3.33Å; G572-L574 PolarHBondContact O-N 3.48Å; L574-G576 PolarHBondContact O-N 3.15Å; L574-A577 WeakPolarHBondContact O-CB 3.43Å; L574-A577 PolarHBondContact O-N 3.33Å; L574-A577 VanDerWaalsContact O-N 3.16Å; L574-L578 PolarHBondContact O-N 3.06Å
575G96.6Very high96.4Very high7 Ų710.2 Ų10.27%0.0727%0.07CC..Hα-helixtrans-59.6-36.5166.700000112.2A571 G572 A573 T579A571-G575 PolarHBondContact O-N 3.22Å; G572-G575 CarbonylContact O-C 3.58Å; G572-G575 WeakPolarHBondContact O-CA 3.32Å; G572-G575 PolarHBondContact O-N 3.37Å; G572-G575 VanDerWaalsContact O-N 3.11Å; A573-G575 VanDerWaalsContact C-N 3.34Å; G575-T579 WeakPolarHBondContact O-CB 3.33Å; G575-T579 PolarHBondContact O-N 3.47Å; G575-T579 PolarHBondContact O-OG1 3.21Å
576G97.6Very high96.2Very high0 Ų014.7 Ų14.70%09%0.094CC..Hα-helixtrans-62-45169.500000112.8T561 G572 A573 L574 T579 C580T561-G576 PolarHBondContact OG1-O 3.43Å; G572-G576 PolarHBondContact O-N 3Å; A573-G576 CarbonylContact O-C 3.56Å; A573-G576 WeakPolarHBondContact O-CA 3.04Å; A573-G576 PolarHBondContact O-N 2.88Å; L574-G576 PolarHBondContact O-N 3.15Å; G576-T579 PolarHBondContact O-N 3.39Å; G576-C580 WeakPolarHBondContact O-CB 3.46Å; G576-C580 PolarHBondContact O-N 3.03Å
577A98.4Very high96.1Very high0 Ų016.3 Ų16.30%010%0.099CC..Hα-helixtrans-58.3-49.4174.200000112.1G74 L78 T561 A573 L574 T579 C580 G581G74-A577 WeakPolarHBondContact O-CB 3.49Å; L78-A577 HydrophobicContact CB-CB 4.08Å; T561-A577 WeakPolarHBondContact OG1-CA 3.37Å; T561-A577 PolarHBondContact OG1-N 2.94Å; A573-A577 PolarHBondContact O-N 2.95Å; L574-A577 WeakPolarHBondContact O-CB 3.43Å; L574-A577 PolarHBondContact O-N 3.33Å; L574-A577 VanDerWaalsContact O-N 3.16Å; A577-T579 VanDerWaalsContact C-N 3.35Å; A577-T579 PolarHBondContact O-N 2.54Å; A577-C580 PolarHBondContact O-N 2.97Å; A577-G581 PolarHBondContact O-N 3.39Å
578L97Very high96Very high8 Ų816.8 Ų16.84%0.04210%0.102CC..Hα-helixtrans-58.8-44.1175.3-83.1165.2000112.3F29 M131 L574 S582 L589F29-L578 HydrophobicContact CE2-CD2 3.76Å; F29-L578 HydrophobicContact CZ-CD2 3.9Å; M131-L578 HydrophobicContact CG-CD1 4.38Å; M131-L578 HydrophobicContact SD-CD1 3.22Å; M131-L578 WeakPolarHBondContact SD-CD1 3.48Å; M131-L578 HydrophobicContact SD-CD2 4.36Å; M131-L578 HydrophobicContact SD-CG 3.8Å; L574-L578 PolarHBondContact O-N 3.06Å; L578-S582 VanDerWaalsContact O-CB 3.28Å; L578-S582 WeakPolarHBondContact O-CB 3.31Å; L578-S582 PolarHBondContact O-N 3.21Å; L578-S582 PolarHBondContact O-OG 3.33Å; L578-L589 HydrophobicContact CD2-CB 3.67Å
579T97.3Very high96Very high0 Ų016.2 Ų16.20%010%0.098CC..Hα-helixtrans-66.3-43.6-178.7-520000110.8K208 L209 P551 F566 G575 G576 A577 S582 V583 H590K208-T579 HydrophobicContact CB-CG2 4.08Å; K208-T579 HydrophobicContact CD-CG2 4.38Å; L209-T579 HydrophobicContact CD2-CG2 3.83Å; L209-T579 HydrophobicContact CG-CG2 4.42Å; P551-T579 HydrophobicContact CG-CG2 3.69Å; F566-T579 WeakPolarHBondContact CD2-OG1 3.38Å; G575-T579 WeakPolarHBondContact O-CB 3.33Å; G575-T579 PolarHBondContact O-N 3.47Å; G575-T579 PolarHBondContact O-OG1 3.21Å; G576-T579 PolarHBondContact O-N 3.39Å; A577-T579 VanDerWaalsContact C-N 3.35Å; A577-T579 PolarHBondContact O-N 2.54Å; T579-S582 WeakPolarHBondContact O-CB 3.43Å; T579-S582 PolarHBondContact O-N 3.31Å; T579-V583 PolarHBondContact O-N 3.48Å; T579-H590 PolarHBondContact N-NE2 2.86Å; T579-H590 PolarHBondContact OG1-NE2 3.46Å
580C98.5Very high96Very high0 Ų015.4 Ų15.40%09%0.087CC..Hα-helixtrans-68.3-44.4177.1-171.40000112.1L78 P551 L560 G576 A577 S582 V583 I584L78-C580 HydrophobicContact CD2-CB 3.88Å; L78-C580 VanDerWaalsContact CD2-SG 3.53Å; P551-C580 HydrophobicContact CB-CB 3.86Å; P551-C580 HydrophobicContact CG-CB 4.18Å; L560-C580 PolarHBondContact O-SG 2.87Å; G576-C580 WeakPolarHBondContact O-CB 3.46Å; G576-C580 PolarHBondContact O-N 3.03Å; A577-C580 PolarHBondContact O-N 2.97Å; C580-S582 PolarHBondContact O-N 2.87Å; C580-V583 WeakPolarHBondContact O-CB 3.34Å; C580-V583 PolarHBondContact O-N 3.37Å; C580-V583 VanDerWaalsContact O-N 3.12Å; C580-I584 WeakPolarHBondContact O-CG1 3.48Å; C580-I584 PolarHBondContact O-N 3.09Å
581G97.9Very high95.7Very high0 Ų016.2 Ų16.20%09%0.092CC..Hα-helixtrans-60.3-35.7173.700000112.2A577 V583 I584 L585 L589A577-G581 PolarHBondContact O-N 3.39Å; G581-V583 VanDerWaalsContact C-N 3.29Å; G581-V583 PolarHBondContact O-N 2.85Å; G581-I584 PolarHBondContact O-N 2.89Å; G581-L585 VanDerWaalsContact O-CB 3.3Å; G581-L585 WeakPolarHBondContact O-CB 3.23Å; G581-L585 WeakPolarHBondContact O-CG 3.44Å; G581-L585 PolarHBondContact O-N 3.26Å; G581-L589 VanDerWaalsContact C-CD1 3.44Å
582S96.4Very high95.6Very high5 Ų515.4 Ų15.44%0.0358%0.084CC..Hα-helixtrans-62.9-38.2176.7-630000112.8L578 T579 C580 N586 R587 L589L578-S582 VanDerWaalsContact O-CB 3.28Å; L578-S582 WeakPolarHBondContact O-CB 3.31Å; L578-S582 PolarHBondContact O-N 3.21Å; L578-S582 PolarHBondContact O-OG 3.33Å; T579-S582 WeakPolarHBondContact O-CB 3.43Å; T579-S582 PolarHBondContact O-N 3.31Å; C580-S582 PolarHBondContact O-N 2.87Å; S582-N586 WeakPolarHBondContact O-CA 3.47Å; S582-N586 PolarHBondContact O-N 2.68Å; S582-N586 VanDerWaalsContact O-N 3.14Å; S582-R587 CarbonylContact C-O 3.57Å; S582-R587 WeakPolarHBondContact CA-O 3.45Å; S582-R587 WeakPolarHBondContact CB-O 3.42Å; S582-R587 PolarHBondContact O-N 3.35Å; S582-R587 VanDerWaalsContact O-O 3.08Å; S582-R587 PolarHBondContact OG-O 2.9Å; S582-L589 WeakPolarHBondContact OG-CB 3.3Å; S582-L589 PolarHBondContact OG-N 2.87Å
583V95.6Very high95.4Very high26 Ų2615.3 Ų15.316%0.1588%0.082CC..Hα-helixtrans-67.5-52.6174.7159.90000111.1L209 P551 Q552 Y559 T579 C580 G581 L585 N586L209-V583 HydrophobicContact CD2-CG2 4.15Å; P551-V583 HydrophobicContact CB-CB 4.47Å; P551-V583 HydrophobicContact CB-CG2 4.22Å; P551-V583 HydrophobicContact CG-CG2 4.02Å; Q552-V583 HydrophobicContact CG-CG1 3.66Å; Y559-V583 HydrophobicContact CD1-CG1 4.1Å; Y559-V583 HydrophobicContact CE1-CG1 3.76Å; T579-V583 PolarHBondContact O-N 3.48Å; C580-V583 WeakPolarHBondContact O-CB 3.34Å; C580-V583 PolarHBondContact O-N 3.37Å; C580-V583 VanDerWaalsContact O-N 3.12Å; G581-V583 VanDerWaalsContact C-N 3.29Å; G581-V583 PolarHBondContact O-N 2.85Å; V583-L585 VanDerWaalsContact C-N 3.33Å; V583-L585 PolarHBondContact O-N 3.42Å; V583-N586 PolarHBondContact O-N 2.73Å
584I97.3Very high95.1Very high31 Ų3118.5 Ų18.516%0.1599%0.094CC..Hα-helixtrans-64.7-40.1-174.3-68.3169.4000111L78 L82 M345 I347 Y559 C580 G581 N586L78-I584 HydrophobicContact CD2-CD1 4.44Å; L82-I584 HydrophobicContact CD2-CG2 3.84Å; M345-I584 HydrophobicContact CE-CG2 4.07Å; M345-I584 HydrophobicContact SD-CG2 3.98Å; I347-I584 HydrophobicContact CD1-CD1 3.68Å; I347-I584 HydrophobicContact CG1-CD1 4.13Å; Y559-I584 HydrophobicContact CD1-CG1 4.31Å; Y559-I584 HydrophobicContact CE1-CG1 4.29Å; Y559-I584 HydrophobicContact CG-CD1 4.49Å; Y559-I584 HydrophobicContact CG-CG1 4.48Å; C580-I584 WeakPolarHBondContact O-CG1 3.48Å; C580-I584 PolarHBondContact O-N 3.09Å; G581-I584 PolarHBondContact O-N 2.89Å; I584-N586 VanDerWaalsContact C-N 3.33Å
585L96.5Very high94.8Very high11 Ų1122.7 Ų22.76%0.05812%0.116CC..THydrogen-bonded Turntrans-89.23.1-179.6-57.1-176.5000112.9G25 P26 P28 L82 V85 G581 V583 R587 L589G25-L585 VanDerWaalsContact CA-O 3.25Å; G25-L585 WeakPolarHBondContact CA-O 3.04Å; P26-L585 HydrophobicContact CG-CD2 4.05Å; P28-L585 HydrophobicContact CG-CD1 4.31Å; L82-L585 HydrophobicContact CD2-CD2 3.84Å; L82-L585 HydrophobicContact CD2-CG 4.2Å; V85-L585 HydrophobicContact CG1-CD1 4.34Å; V85-L585 HydrophobicContact CG2-CD1 4.04Å; V85-L585 HydrophobicContact CG2-CD2 3.85Å; G581-L585 VanDerWaalsContact O-CB 3.3Å; G581-L585 WeakPolarHBondContact O-CB 3.23Å; G581-L585 WeakPolarHBondContact O-CG 3.44Å; G581-L585 PolarHBondContact O-N 3.26Å; V583-L585 VanDerWaalsContact C-N 3.33Å; V583-L585 PolarHBondContact O-N 3.42Å; L585-R587 HydrophobicContact CB-CB 4.36Å; L585-R587 PolarHBondContact O-N 2.94Å; L585-L589 HydrophobicContact CD1-CD1 4.31Å; L585-L589 HydrophobicContact CD1-CD2 4.44Å
586N93.1Very high94.6Very high94 Ų9423 Ų2350%0.50312%0.116SC..THydrogen-bonded Turntrans46.948.6-176.1-169.847.1000112.7S24 S582 V583 I584S24-N586 PolarHBondContact OG-ND2 3.12Å; S24-N586 VanDerWaalsContact OG-ND2 3.08Å; S582-N586 WeakPolarHBondContact O-CA 3.47Å; S582-N586 PolarHBondContact O-N 2.68Å; S582-N586 VanDerWaalsContact O-N 3.14Å; V583-N586 PolarHBondContact O-N 2.73Å; I584-N586 VanDerWaalsContact C-N 3.33Å
587R92.3Very high94.3Very high49 Ų4923.1 Ų23.119%0.18512%0.117CC..SBendtrans-152.3143.8-170.7176.8167.1-164.5101.414.1111.7S23 G25 P26 N27 S582 L585 L589 D592S23-R587 PolarHBondContact OG-NH1 3.16Å; G25-R587 WeakPolarHBondContact O-CD 3.45Å; G25-R587 PolarHBondContact O-NH1 3.07Å; P26-R587 VanDerWaalsContact O-CD 3.25Å; P26-R587 WeakPolarHBondContact O-CD 3.35Å; N27-R587 VanDerWaalsContact CB-NE 3.3Å; N27-R587 VanDerWaalsContact CG-NE 3.34Å; N27-R587 PolarHBondContact ND2-NH2 3.34Å; S582-R587 CarbonylContact C-O 3.57Å; S582-R587 WeakPolarHBondContact CA-O 3.45Å; S582-R587 WeakPolarHBondContact CB-O 3.42Å; S582-R587 PolarHBondContact O-N 3.35Å; S582-R587 VanDerWaalsContact O-O 3.08Å; S582-R587 PolarHBondContact OG-O 2.9Å; L585-R587 HydrophobicContact CB-CB 4.36Å; L585-R587 PolarHBondContact O-N 2.94Å; R587-L589 HydrophobicContact CB-CD2 4.45Å; R587-L589 HydrophobicContact CG-CD2 4.06Å; R587-L589 PolarHBondContact O-N 3.44Å; R587-L589 VanDerWaalsContact O-N 3.12Å; R587-D592 VanDerWaalsContact CD-OD2 3.29Å; R587-D592 WeakPolarHBondContact CD-OD2 3.41Å; R587-D592 VanDerWaalsContact CG-OD2 3.22Å; R587-D592 WeakPolarHBondContact CG-OD2 3.12Å; R587-D592 IonicContact CZ-OD1 2.68Å; R587-D592 IonicContact CZ-OD2 3.63Å; R587-D592 VanDerWaalsContact NE-CG 3.31Å; R587-D592 IonicContact NE-OD1 2.62Å; R587-D592 PolarHBondContact NE-OD1 2.97Å; R587-D592 IonicContact NE-OD2 3.77Å; R587-D592 PolarHBondContact NE-OD2 3.14Å; R587-D592 IonicContact NH2-OD1 3.13Å; R587-D592 PolarHBondContact NH2-OD1 3.11Å; R587-D592 IonicContact NH2-OD2 3.55Å
588N92.6Very high93.8Very high23 Ų2327.4 Ų27.412%0.12314%0.138CC..  trans-84.885.6179.4-172.7-8000112.3H590 L591 D592N588-H590 PolarHBondContact O-N 3.35Å; N588-H590 WeakPolarHBondContact OD1-CB 3.48Å; N588-H590 PolarHBondContact OD1-N 3.03Å; N588-L591 HydrophobicContact CB-CB 4.18Å; N588-L591 PolarHBondContact O-N 3.17Å; N588-L591 VanDerWaalsContact O-N 3.11Å; N588-L591 PolarHBondContact OD1-N 3.22Å; N588-L591 VanDerWaalsContact OD1-N 3.16Å; N588-D592 PolarHBondContact O-N 3.19Å
589L93.9Very high93.4Very high0 Ų033.2 Ų33.20%016%0.163CC..Hα-helixtrans-66.4-26.5-177.6-60.4-172.2000113.6P28 F29 L81 L578 G581 S582 L585 R587 L591 D592 S593P28-L589 VanDerWaalsContact CD-CD2 3.5Å; P28-L589 HydrophobicContact CG-CD1 4.24Å; P28-L589 HydrophobicContact CG-CD2 3.7Å; F29-L589 HydrophobicContact CD2-CD2 4.41Å; F29-L589 HydrophobicContact CE2-CB 4.09Å; L81-L589 HydrophobicContact CD1-CD1 4.02Å; L578-L589 HydrophobicContact CD2-CB 3.67Å; G581-L589 VanDerWaalsContact C-CD1 3.44Å; S582-L589 WeakPolarHBondContact OG-CB 3.3Å; S582-L589 PolarHBondContact OG-N 2.87Å; L585-L589 HydrophobicContact CD1-CD1 4.31Å; L585-L589 HydrophobicContact CD1-CD2 4.44Å; R587-L589 HydrophobicContact CB-CD2 4.45Å; R587-L589 HydrophobicContact CG-CD2 4.06Å; R587-L589 PolarHBondContact O-N 3.44Å; R587-L589 VanDerWaalsContact O-N 3.12Å; L589-L591 VanDerWaalsContact C-N 3.34Å; L589-D592 PolarHBondContact O-N 3.16Å; L589-S593 WeakPolarHBondContact O-CB 3.47Å; L589-S593 PolarHBondContact O-N 2.95Å; L589-S593 PolarHBondContact O-OG 3.29Å; L589-S593 VanDerWaalsContact O-OG 3.1Å
590H92.6Very high92.7Very high11 Ų1133.8 Ų33.85%0.05117%0.167CC..Hα-helixtrans-62.1-44173.2-75.9-86000110.7W202 T579 N588 S593 F594W202-H590 HydrophobicContact CE3-CB 4.41Å; W202-H590 HydrophobicContact CZ3-CB 3.74Å; T579-H590 PolarHBondContact N-NE2 2.86Å; T579-H590 PolarHBondContact OG1-NE2 3.46Å; N588-H590 PolarHBondContact O-N 3.35Å; N588-H590 WeakPolarHBondContact OD1-CB 3.48Å; N588-H590 PolarHBondContact OD1-N 3.03Å; H590-S593 PolarHBondContact O-OG 3.32Å; H590-F594 PolarHBondContact O-N 3.41Å
591L90.9Very high91.7Very high30 Ų3038.7 Ų38.716%0.15719%0.188CC..Hα-helixtrans-69.9-42.8174.8178.663.1000111.9V20 F21 N588 L589 S593 F594 L595V20-L591 HydrophobicContact CG1-CD2 3.89Å; V20-L591 WeakPolarHBondContact O-CD2 3.44Å; F21-L591 HydrophobicContact CD1-CD2 3.63Å; F21-L591 HydrophobicContact CE1-CD1 4.42Å; F21-L591 HydrophobicContact CE1-CD2 3.61Å; F21-L591 HydrophobicContact CG-CD2 4.5Å; F21-L591 HydrophobicContact CZ-CD2 4.45Å; N588-L591 HydrophobicContact CB-CB 4.18Å; N588-L591 PolarHBondContact O-N 3.17Å; N588-L591 VanDerWaalsContact O-N 3.11Å; N588-L591 PolarHBondContact OD1-N 3.22Å; N588-L591 VanDerWaalsContact OD1-N 3.16Å; L589-L591 VanDerWaalsContact C-N 3.34Å; L591-S593 PolarHBondContact O-N 3.34Å; L591-F594 WeakPolarHBondContact O-CB 3.41Å; L591-F594 PolarHBondContact O-N 3.01Å; L591-L595 HydrophobicContact CD1-CD1 4.19Å; L591-L595 HydrophobicContact CD1-CD2 4.4Å; L591-L595 HydrophobicContact CD1-CG 4.01Å; L591-L595 HydrophobicContact CD2-CD1 4.45Å; L591-L595 HydrophobicContact CG-CD1 3.93Å; L591-L595 HydrophobicContact CG-CG 4.18Å; L591-L595 WeakPolarHBondContact O-CG 3.32Å; L591-L595 PolarHBondContact O-N 3.5Å
592D92Very high90.3Very high13 Ų1346.6 Ų46.67%0.0722%0.219CC..Hα-helixtrans-60-45.7-179.4-67.6-50.7000112.4N27 F29 R587 N588 L589 F594 L595 L596N27-D592 PolarHBondContact ND2-OD1 2.85Å; F29-D592 HydrophobicContact CB-CB 4.08Å; F29-D592 HydrophobicContact CD2-CB 3.97Å; F29-D592 HydrophobicContact CG-CB 4.45Å; R587-D592 VanDerWaalsContact CD-OD2 3.29Å; R587-D592 WeakPolarHBondContact CD-OD2 3.41Å; R587-D592 VanDerWaalsContact CG-OD2 3.22Å; R587-D592 WeakPolarHBondContact CG-OD2 3.12Å; R587-D592 IonicContact CZ-OD1 2.68Å; R587-D592 IonicContact CZ-OD2 3.63Å; R587-D592 VanDerWaalsContact NE-CG 3.31Å; R587-D592 IonicContact NE-OD1 2.62Å; R587-D592 PolarHBondContact NE-OD1 2.97Å; R587-D592 IonicContact NE-OD2 3.77Å; R587-D592 PolarHBondContact NE-OD2 3.14Å; R587-D592 IonicContact NH2-OD1 3.13Å; R587-D592 PolarHBondContact NH2-OD1 3.11Å; R587-D592 IonicContact NH2-OD2 3.55Å; N588-D592 PolarHBondContact O-N 3.19Å; L589-D592 PolarHBondContact O-N 3.16Å; D592-F594 VanDerWaalsContact C-N 3.32Å; D592-F594 PolarHBondContact O-N 3.17Å; D592-L595 PolarHBondContact O-N 2.75Å; D592-L596 WeakPolarHBondContact O-CB 3.49Å; D592-L596 PolarHBondContact O-N 2.9Å
593S91.7Very high89.1Confident5 Ų550.2 Ų50.24%0.03524%0.237CC..Hα-helixtrans-62.5-38.9176.463.20000112.2L589 H590 L591 A597L589-S593 WeakPolarHBondContact O-CB 3.47Å; L589-S593 PolarHBondContact O-N 2.95Å; L589-S593 PolarHBondContact O-OG 3.29Å; L589-S593 VanDerWaalsContact O-OG 3.1Å; H590-S593 PolarHBondContact O-OG 3.32Å; L591-S593 PolarHBondContact O-N 3.34Å; S593-A597 WeakPolarHBondContact O-CB 3.18Å; S593-A597 PolarHBondContact O-N 2.75Å
594F91Very high87.9Confident76 Ų7652.6 Ų52.633%0.33325%0.249SC..Hα-helixtrans-62.9-47.6173.9176.7-93000112P127 W202 H590 L591 D592 L596 A597 M598P127-F594 HydrophobicContact CB-CD2 4.32Å; P127-F594 HydrophobicContact CG-CD2 3.62Å; P127-F594 HydrophobicContact CG-CE2 4.15Å; W202-F594 HydrophobicContact CH2-CB 4.19Å; W202-F594 HydrophobicContact CZ2-CD2 4.42Å; H590-F594 PolarHBondContact O-N 3.41Å; L591-F594 WeakPolarHBondContact O-CB 3.41Å; L591-F594 PolarHBondContact O-N 3.01Å; D592-F594 VanDerWaalsContact C-N 3.32Å; D592-F594 PolarHBondContact O-N 3.17Å; F594-L596 VanDerWaalsContact C-N 3.35Å; F594-L596 PolarHBondContact O-N 3.21Å; F594-A597 WeakPolarHBondContact O-CB 3.48Å; F594-A597 PolarHBondContact O-N 2.72Å; F594-M598 HydrophobicContact CD1-CG 4.22Å; F594-M598 HydrophobicContact CE1-CG 3.74Å; F594-M598 HydrophobicContact CE2-CG 4.26Å; F594-M598 HydrophobicContact CE2-SD 4.43Å; F594-M598 HydrophobicContact CZ-CG 3.76Å; F594-M598 HydrophobicContact CZ-SD 4.1Å; F594-M598 WeakPolarHBondContact O-CG 3.46Å; F594-M598 PolarHBondContact O-N 3.42Å
595L91.5Very high86.6Confident88 Ų8857.6 Ų57.646%0.46127%0.269SS..Hα-helixtrans-62.5-41.4179.5-70.1176.2000111.7L591 D592 M598 K599L591-L595 HydrophobicContact CD1-CD1 4.19Å; L591-L595 HydrophobicContact CD1-CD2 4.4Å; L591-L595 HydrophobicContact CD1-CG 4.01Å; L591-L595 HydrophobicContact CD2-CD1 4.45Å; L591-L595 HydrophobicContact CG-CD1 3.93Å; L591-L595 HydrophobicContact CG-CG 4.18Å; L591-L595 WeakPolarHBondContact O-CG 3.32Å; L591-L595 PolarHBondContact O-N 3.5Å; D592-L595 PolarHBondContact O-N 2.75Å; L595-M598 PolarHBondContact O-N 2.79Å; L595-K599 WeakPolarHBondContact O-CB 3.36Å; L595-K599 PolarHBondContact O-N 3.15Å
596L91.8Very high84.6Confident13 Ų1362.5 Ų62.57%0.06829%0.29CS..Hα-helixtrans-62.2-42.8175.2-178.462.5000111.8F29 D32 Q134 D592 F594 M598 K599 T600F29-L596 HydrophobicContact CB-CD2 4.08Å; F29-L596 HydrophobicContact CD1-CD2 4.28Å; D32-L596 HydrophobicContact CB-CD1 4.4Å; Q134-L596 HydrophobicContact CG-CD2 3.62Å; D592-L596 WeakPolarHBondContact O-CB 3.49Å; D592-L596 PolarHBondContact O-N 2.9Å; F594-L596 VanDerWaalsContact C-N 3.35Å; F594-L596 PolarHBondContact O-N 3.21Å; L596-M598 VanDerWaalsContact C-N 3.34Å; L596-M598 PolarHBondContact O-N 3.37Å; L596-K599 PolarHBondContact O-N 3.01Å; L596-T600 WeakPolarHBondContact O-CB 3.4Å; L596-T600 PolarHBondContact O-N 2.98Å; L596-T600 PolarHBondContact O-OG1 2.88Å
597A90.9Very high83.3Confident3 Ų363 Ų633%0.02529%0.293CS..Hα-helixtrans-61.3-43.2176.900000111.9P127 C130 S593 F594 T600 K601P127-A597 HydrophobicContact CB-CB 4.32Å; P127-A597 HydrophobicContact CG-CB 4.34Å; C130-A597 HydrophobicContact CB-CB 3.62Å; S593-A597 WeakPolarHBondContact O-CB 3.18Å; S593-A597 PolarHBondContact O-N 2.75Å; F594-A597 WeakPolarHBondContact O-CB 3.48Å; F594-A597 PolarHBondContact O-N 2.72Å; A597-T600 PolarHBondContact O-N 3.43Å; A597-K601 WeakPolarHBondContact O-CB 3.15Å; A597-K601 PolarHBondContact O-N 2.57Å
598M89.6Confident82Confident89 Ų8969.1 Ų69.144%0.43832%0.32SS..Hα-helixtrans-65.2-43.3177.4-68.8-59.2-65.400112.2F594 L595 L596 K601 Y602F594-M598 HydrophobicContact CD1-CG 4.22Å; F594-M598 HydrophobicContact CE1-CG 3.74Å; F594-M598 HydrophobicContact CE2-CG 4.26Å; F594-M598 HydrophobicContact CE2-SD 4.43Å; F594-M598 HydrophobicContact CZ-CG 3.76Å; F594-M598 HydrophobicContact CZ-SD 4.1Å; F594-M598 WeakPolarHBondContact O-CG 3.46Å; F594-M598 PolarHBondContact O-N 3.42Å; L595-M598 PolarHBondContact O-N 2.79Å; L596-M598 VanDerWaalsContact C-N 3.34Å; L596-M598 PolarHBondContact O-N 3.37Å; M598-K601 PolarHBondContact O-N 3Å; M598-Y602 PolarHBondContact O-N 3.11Å; M598-Y602 VanDerWaalsContact O-N 3.11Å
599K87.3Confident80Confident131 Ų13173.8 Ų73.857%0.5735%0.346SS*.Hα-helixtrans-59.9-46.5175.5-176.8-179.4178.7-177.70111.5L595 L596 K601 Y602 I603L595-K599 WeakPolarHBondContact O-CB 3.36Å; L595-K599 PolarHBondContact O-N 3.15Å; L596-K599 PolarHBondContact O-N 3.01Å; K599-K601 PolarHBondContact O-N 3.46Å; K599-Y602 PolarHBondContact O-N 3.48Å; K599-I603 HydrophobicContact CG-CD1 4.18Å; K599-I603 WeakPolarHBondContact O-CG1 3.42Å; K599-I603 PolarHBondContact O-N 3.46Å; K599-I603 VanDerWaalsContact O-N 3.12Å
600T82.3Confident77.8Confident12 Ų1282.1 Ų82.17%0.07438%0.384CS..Hα-helixtrans-61.4-44.6178.7-58.60000111.9L596 A597 Y602 I603 N604L596-T600 WeakPolarHBondContact O-CB 3.4Å; L596-T600 PolarHBondContact O-N 2.98Å; L596-T600 PolarHBondContact O-OG1 2.88Å; A597-T600 PolarHBondContact O-N 3.43Å; T600-Y602 VanDerWaalsContact C-N 3.3Å; T600-Y602 PolarHBondContact O-N 3.48Å; T600-I603 PolarHBondContact O-N 2.72Å; T600-N604 PolarHBondContact O-N 2.99Å
601K79.1Confident77Confident102 Ų10285.7 Ų85.744%0.44340%0.401SS..Hα-helixtrans-59-42.2177-176.7-175.2-179.7-177.20111.8H125 A597 M598 K599 K605H125-K601 HydrophobicContact CB-CB 4.44Å; H125-K601 HydrophobicContact CB-CD 4.11Å; H125-K601 HydrophobicContact CB-CG 4.07Å; A597-K601 WeakPolarHBondContact O-CB 3.15Å; A597-K601 PolarHBondContact O-N 2.57Å; M598-K601 PolarHBondContact O-N 3Å; K599-K601 PolarHBondContact O-N 3.46Å; K601-K605 PolarHBondContact O-N 2.69Å; K601-K605 VanDerWaalsContact O-N 3.11Å
602Y68.8Low76.3Confident167 Ų16788.6 Ų88.666%0.65541%0.414SS*.Hα-helixtrans-63.9-46.8178.8179.5-96.1000111.9M598 K599 T600 N604 K605 K606M598-Y602 PolarHBondContact O-N 3.11Å; M598-Y602 VanDerWaalsContact O-N 3.11Å; K599-Y602 PolarHBondContact O-N 3.48Å; T600-Y602 VanDerWaalsContact C-N 3.3Å; T600-Y602 PolarHBondContact O-N 3.48Å; Y602-N604 PolarHBondContact O-N 3.17Å; Y602-K605 PolarHBondContact O-N 2.69Å; Y602-K606 PolarHBondContact O-N 3.19Å; Y602-K606 VanDerWaalsContact O-N 3.09Å
603I70.3Confident75.4Confident80 Ų8092.8 Ų92.841%0.4143%0.433SS..Hα-helixtrans-59.7-47.5177.6-66.5167.7000110.9K599 T600 K605 K606 L607K599-I603 HydrophobicContact CG-CD1 4.18Å; K599-I603 WeakPolarHBondContact O-CG1 3.42Å; K599-I603 PolarHBondContact O-N 3.46Å; K599-I603 VanDerWaalsContact O-N 3.12Å; T600-I603 PolarHBondContact O-N 2.72Å; I603-K605 VanDerWaalsContact C-N 3.25Å; I603-K605 PolarHBondContact O-N 3.21Å; I603-K606 PolarHBondContact O-N 3.32Å; I603-L607 HydrophobicContact CG2-CD1 3.94Å; I603-L607 HydrophobicContact CG2-CG 4.46Å; I603-L607 PolarHBondContact O-N 3.33Å
604N71.4Confident74.5Confident76 Ų7697.9 Ų97.941%0.40646%0.456SS..Hα-helixtrans-64.2-28.6179.4-74.7-6000113.4T600 Y602 K608T600-N604 PolarHBondContact O-N 2.99Å; Y602-N604 PolarHBondContact O-N 3.17Å; N604-K608 WeakPolarHBondContact O-CG 3.45Å; N604-K608 PolarHBondContact O-N 3.21Å
605K68.9Low73.4Confident136 Ų13699.3 Ų99.359%0.59146%0.464SS*.Hα-helixtrans-70.6-47.4173.6-171.9-176.1174.5-170.90110.3K601 Y602 I603 L607 K608 D609K601-K605 PolarHBondContact O-N 2.69Å; K601-K605 VanDerWaalsContact O-N 3.11Å; Y602-K605 PolarHBondContact O-N 2.69Å; I603-K605 VanDerWaalsContact C-N 3.25Å; I603-K605 PolarHBondContact O-N 3.21Å; K605-L607 VanDerWaalsContact C-N 3.33Å; K605-L607 PolarHBondContact O-N 2.8Å; K605-K608 PolarHBondContact O-N 3.32Å; K605-D609 PolarHBondContact O-N 3.26Å
606K54.5Low72.2Confident114 Ų114100.1 Ų100.150%0.49646%0.464SS..Hα-helixtrans-58.7-43.4179.3-169.2-178.6174.8-166.80112.2Y602 I603 K608 D609 E610Y602-K606 PolarHBondContact O-N 3.19Å; Y602-K606 VanDerWaalsContact O-N 3.09Å; I603-K606 PolarHBondContact O-N 3.32Å; K606-K608 PolarHBondContact O-N 2.79Å; K606-D609 PolarHBondContact O-N 2.95Å; K606-E610 WeakPolarHBondContact CE-OE1 3.15Å; K606-E610 IonicContact NZ-OE1 2.68Å; K606-E610 PolarHBondContact O-N 3.26Å; K606-E610 VanDerWaalsContact O-N 3.15Å
607L66.4Low70.8Confident106 Ų106106.3 Ų106.356%0.55549%0.492SS*.Hα-helixtrans-69.2-12.5176.6-69.5172000114.8I603 K605I603-L607 HydrophobicContact CG2-CD1 3.94Å; I603-L607 HydrophobicContact CG2-CG 4.46Å; I603-L607 PolarHBondContact O-N 3.33Å; K605-L607 VanDerWaalsContact C-N 3.33Å; K605-L607 PolarHBondContact O-N 2.8Å
608K63.8Low69.3Low176 Ų176114.2 Ų114.277%0.76553%0.528SS*.Hα-helixtrans-94.5-19.4172.8-77.9-175.9177.4-168.20112.7N604 K605 K606N604-K608 WeakPolarHBondContact O-CG 3.45Å; N604-K608 PolarHBondContact O-N 3.21Å; K605-K608 PolarHBondContact O-N 3.32Å; K606-K608 PolarHBondContact O-N 2.79Å
609D51.8Low67.6Low122 Ų122116.3 Ų116.365%0.65254%0.536SS*.Hα-helixtrans-93.9-9.9178.9-63.4-23.3000111.3K605 K606K605-D609 PolarHBondContact O-N 3.26Å; K606-D609 PolarHBondContact O-N 2.95Å
610E46.7Very low65.8Low174 Ų174115 Ų11581%0.81353%0.533SS*.  trans-97.90165.8-71174.7-174.300109.8K606K606-E610 WeakPolarHBondContact CE-OE1 3.15Å; K606-E610 IonicContact NZ-OE1 2.68Å; K606-E610 PolarHBondContact O-N 3.26Å; K606-E610 VanDerWaalsContact O-N 3.15Å

Retrieved 610 of 610 residues in 1029.1 ms (Link to these results)

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