Z4YJH1_MOUSE Loading...

Centrin 2

AlphaFold DB , UniProt , Accession Z4YJH1, Species MOUSE (Mus musculus, Mouse), Gene Cetn2, Length 163 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
1M39.2Very low39.7Very low251 Ų251160.7 Ų160.7100%1.23684%0.844SS**  0122.50-75.5-161166.300108
2A40.2Very low39.9Very low101 Ų101157.5 Ų157.584%0.83584%0.84SS**  trans-87.9140.1-175.900000111.3
3S37.8Very low40.8Very low121 Ų121159.1 Ų159.185%0.84684%0.835SS**  trans-172.488.5141.6-110.40000109.6
4S42Very low41.9Very low121 Ų121153.1 Ų153.185%0.84681%0.81SS**  trans-92.994.8161.9-54.70000106.3Q6S4-Q6 PolarHBondContact O-N 2.72Å
5A42.9Very low43.4Very low92 Ų92154.4 Ų154.476%0.7681%0.81SS**  trans-62.4108.6171.800000108.4R7A5-R7 PolarHBondContact O-N 3.15Å
6Q40.6Very low45.1Very low193 Ų193145.8 Ų145.890%0.90277%0.765SS**  trans-57.5106.2167.3-88.4165.3-6400107.8S4 K8S4-Q6 PolarHBondContact O-N 2.72Å; Q6-K8 PolarHBondContact O-N 2.82Å
7R39.9Very low47.2Very low237 Ų237141.6 Ų141.689%0.89475%0.747SS**  trans-60.2105.8164.7-75.8-179.7174173.9-2.1106.9A5 R9A5-R7 PolarHBondContact O-N 3.15Å; R7-R9 PolarHBondContact O-N 3.41Å
8K39.3Very low48.9Very low179 Ų179141.4 Ų141.478%0.77874%0.741SS**  trans-43.6113.7165.6-123.5179.5178-167.60107.1Q6 M10Q6-K8 PolarHBondContact O-N 2.82Å; K8-M10 VanDerWaalsContact C-N 3.26Å; K8-M10 PolarHBondContact O-N 3.18Å
9R36.2Very low50.5Low243 Ų243140.6 Ų140.692%0.91774%0.737SS**  trans-66.494.7168.1-76.1-176.9133.5-173.8-4.8105.9R7 S11R7-R9 PolarHBondContact O-N 3.41Å; R9-S11 PolarHBondContact O-N 2.77Å
10M38.5Very low51.8Low162 Ų162136 Ų13680%0.79871%0.712SS**PPolyproline II helixtrans-60.7119.2166-74.617061.400106.5K8K8-M10 VanDerWaalsContact C-N 3.26Å; K8-M10 PolarHBondContact O-N 3.18Å
11S40.2Very low53.2Low68 Ų68132.7 Ų132.748%0.47669%0.692SS.*PPolyproline II helixtrans-48.8142.5169.5-44.60000109.5R9 K13R9-S11 PolarHBondContact O-N 2.77Å; S11-K13 PolarHBondContact O-N 2.67Å
12P42.3Very low55.2Low122 Ų122125.6 Ų125.679%0.79266%0.656SS**PPolyproline II helixtrans-55.3128.4175.223-30.6000108.3
13K51.5Low57.2Low178 Ų178126.3 Ų126.377%0.77464%0.642SS**PPolyproline II helixtrans-56.7128.3170-76.5-178.8177.2-179.40106.5S11 E15S11-K13 PolarHBondContact O-N 2.67Å; K13-E15 PolarHBondContact O-N 2.85Å
14P56.2Low59.3Low75 Ų75120.6 Ų120.649%0.48760%0.602SS.*  trans-55112.4171.619.2-29.4000107.9S89P14-S89 WeakPolarHBondContact CG-OG 3.28Å
15E64.8Low61.3Low173 Ų173119.7 Ų119.781%0.80858%0.58SS**PPolyproline II helixtrans-91.1120.8-178.2-153.4175.8124.100107K13K13-E15 PolarHBondContact O-N 2.85Å
16L70.1Confident63.3Low17 Ų17120.7 Ų120.79%0.08957%0.569CS.*PPolyproline II helixtrans-62.8139.8-179.6-66.4175.5000110.7Q20 K21 I24 L81 T85 M88L16-Q20 HydrophobicContact CB-CB 4.2Å; L16-Q20 HydrophobicContact CD2-CB 4.16Å; L16-K21 HydrophobicContact CB-CG 3.82Å; L16-K21 HydrophobicContact CD1-CG 4.24Å; L16-K21 VanDerWaalsContact O-CE 3.31Å; L16-K21 WeakPolarHBondContact O-CE 3.32Å; L16-I24 HydrophobicContact CD1-CD1 3.45Å; L16-I24 VanDerWaalsContact CD1-CD1 3.45Å; L16-I24 HydrophobicContact CD2-CD1 4.45Å; L16-L81 HydrophobicContact CD1-CD1 3.77Å; L16-T85 HydrophobicContact CD1-CG2 4.25Å; L16-T85 WeakPolarHBondContact CD1-OG1 3.45Å; L16-T85 HydrophobicContact CD2-CG2 4.3Å; L16-T85 HydrophobicContact CG-CG2 3.97Å; L16-M88 HydrophobicContact CD2-CB 4.46Å; L16-M88 HydrophobicContact CD2-SD 3.63Å
17T80Confident65.3Low74 Ų74111.9 Ų111.945%0.45453%0.529SS..PPolyproline II helixtrans-65.3159.4169.269.60000110.5D19 Q20 K21T17-D19 PolarHBondContact O-N 2.58Å; T17-Q20 PolarHBondContact O-N 2.89Å; T17-Q20 VanDerWaalsContact O-N 3.16Å; T17-Q20 VanDerWaalsContact OG1-CG 3.29Å; T17-Q20 WeakPolarHBondContact OG1-CG 3.4Å; T17-Q20 PolarHBondContact OG1-N 3.09Å; T17-Q20 VanDerWaalsContact OG1-N 3.16Å; T17-Q20 PolarHBondContact OG1-OE1 2.89Å; T17-K21 WeakPolarHBondContact O-CG 3.22Å; T17-K21 PolarHBondContact O-N 2.95Å
18E78.7Confident67.3Low139 Ų139100.7 Ų100.765%0.6549%0.487SS*.Hα-helixtrans-60.5-36176.8-65.2-59.9111.300111.6K21 Q22E18-K21 PolarHBondContact O-N 3.26Å; E18-K21 IonicContact OE1-NZ 2.73Å; E18-K21 PolarHBondContact OE1-NZ 3.03Å; E18-Q22 WeakPolarHBondContact O-CB 3.36Å; E18-Q22 PolarHBondContact O-N 2.66Å
19D78.6Confident69.5Low125 Ų12595.5 Ų95.567%0.66847%0.467SS*.Hα-helixtrans-63-45.1174.4-61.2-28.5000111.3T17 K21 Q22 E23T17-D19 PolarHBondContact O-N 2.58Å; D19-K21 PolarHBondContact O-N 2.94Å; D19-Q22 WeakPolarHBondContact O-CB 3.35Å; D19-Q22 PolarHBondContact O-N 3.21Å; D19-Q22 VanDerWaalsContact O-N 3.16Å; D19-E23 WeakPolarHBondContact O-CG 3.34Å; D19-E23 PolarHBondContact O-N 3.27Å
20Q76.1Confident71.7Confident48 Ų4889.5 Ų89.522%0.22445%0.453CS..Hα-helixtrans-64.3-38.8177.1-73.9172.8-37.200112.3L16 T17 Q22 E23 I24 M88L16-Q20 HydrophobicContact CB-CB 4.2Å; L16-Q20 HydrophobicContact CD2-CB 4.16Å; T17-Q20 PolarHBondContact O-N 2.89Å; T17-Q20 VanDerWaalsContact O-N 3.16Å; T17-Q20 VanDerWaalsContact OG1-CG 3.29Å; T17-Q20 WeakPolarHBondContact OG1-CG 3.4Å; T17-Q20 PolarHBondContact OG1-N 3.09Å; T17-Q20 VanDerWaalsContact OG1-N 3.16Å; T17-Q20 PolarHBondContact OG1-OE1 2.89Å; Q20-Q22 VanDerWaalsContact C-N 3.31Å; Q20-E23 PolarHBondContact O-N 3.07Å; Q20-I24 WeakPolarHBondContact O-CB 3.21Å; Q20-I24 WeakPolarHBondContact O-CD1 3.39Å; Q20-I24 WeakPolarHBondContact O-CG1 3.46Å; Q20-I24 PolarHBondContact O-N 3.19Å; Q20-M88 HydrophobicContact CB-SD 4.3Å; Q20-M88 HydrophobicContact CG-SD 4.28Å
21K81.1Confident73.6Confident67 Ų6782.9 Ų82.929%0.29142%0.42SS..Hα-helixtrans-64.1-39.5174.4-69.7175.7-167.5160.10111.2L16 T17 E18 D19 I24 R25L16-K21 HydrophobicContact CB-CG 3.82Å; L16-K21 HydrophobicContact CD1-CG 4.24Å; L16-K21 VanDerWaalsContact O-CE 3.31Å; L16-K21 WeakPolarHBondContact O-CE 3.32Å; T17-K21 WeakPolarHBondContact O-CG 3.22Å; T17-K21 PolarHBondContact O-N 2.95Å; E18-K21 PolarHBondContact O-N 3.26Å; E18-K21 IonicContact OE1-NZ 2.73Å; E18-K21 PolarHBondContact OE1-NZ 3.03Å; D19-K21 PolarHBondContact O-N 2.94Å; K21-I24 PolarHBondContact O-N 3.02Å; K21-R25 WeakPolarHBondContact O-CB 3.5Å; K21-R25 PolarHBondContact O-N 3.26Å
22Q81.7Confident75.7Confident102 Ų10280.2 Ų80.248%0.47740%0.4SS..Hα-helixtrans-65.3-45.7176.4-17761.43100111.2E18 D19 Q20 I24 R25 E26E18-Q22 WeakPolarHBondContact O-CB 3.36Å; E18-Q22 PolarHBondContact O-N 2.66Å; D19-Q22 WeakPolarHBondContact O-CB 3.35Å; D19-Q22 PolarHBondContact O-N 3.21Å; D19-Q22 VanDerWaalsContact O-N 3.16Å; Q20-Q22 VanDerWaalsContact C-N 3.31Å; Q22-I24 VanDerWaalsContact C-N 3.35Å; Q22-I24 PolarHBondContact O-N 2.99Å; Q22-R25 WeakPolarHBondContact O-CB 3.5Å; Q22-R25 PolarHBondContact O-N 2.9Å; Q22-R25 VanDerWaalsContact O-N 3.1Å; Q22-E26 PolarHBondContact NE2-OE1 3.35Å; Q22-E26 WeakPolarHBondContact O-CG 3.38Å; Q22-E26 PolarHBondContact O-N 3.23Å
23E81.9Confident77.2Confident116 Ų11678.9 Ų78.954%0.54240%0.399SS..Hα-helixtrans-60.3-42.9175.3-71.7-178.3103.800112D19 Q20 R25 E26 A27D19-E23 WeakPolarHBondContact O-CG 3.34Å; D19-E23 PolarHBondContact O-N 3.27Å; Q20-E23 PolarHBondContact O-N 3.07Å; E23-R25 VanDerWaalsContact C-N 3.28Å; E23-R25 PolarHBondContact O-N 3.34Å; E23-E26 PolarHBondContact O-N 2.77Å; E23-A27 WeakPolarHBondContact O-CB 3.45Å; E23-A27 PolarHBondContact O-N 2.9Å
24I81.7Confident78.6Confident2 Ų276.2 Ų76.21%0.0139%0.394CS..Hα-helixtrans-64.5-36.6175.6-69.2164.7000110.8L16 Q20 K21 Q22 F28 F77 F80 L81 M84 M88L16-I24 HydrophobicContact CD1-CD1 3.45Å; L16-I24 VanDerWaalsContact CD1-CD1 3.45Å; L16-I24 HydrophobicContact CD2-CD1 4.45Å; Q20-I24 WeakPolarHBondContact O-CB 3.21Å; Q20-I24 WeakPolarHBondContact O-CD1 3.39Å; Q20-I24 WeakPolarHBondContact O-CG1 3.46Å; Q20-I24 PolarHBondContact O-N 3.19Å; K21-I24 PolarHBondContact O-N 3.02Å; Q22-I24 VanDerWaalsContact C-N 3.35Å; Q22-I24 PolarHBondContact O-N 2.99Å; I24-F28 WeakPolarHBondContact O-CB 3.44Å; I24-F28 PolarHBondContact O-N 3.42Å; I24-F77 HydrophobicContact CG2-CE2 4.36Å; I24-F80 HydrophobicContact CG2-CD1 3.82Å; I24-F80 HydrophobicContact CG2-CE1 3.83Å; I24-L81 HydrophobicContact CB-CD1 4.4Å; I24-L81 HydrophobicContact CD1-CD1 4.07Å; I24-L81 HydrophobicContact CG2-CD1 3.84Å; I24-M84 HydrophobicContact CD1-CB 3.76Å; I24-M84 HydrophobicContact CG1-CB 3.93Å; I24-M84 HydrophobicContact CG2-CB 4.08Å; I24-M84 HydrophobicContact CG2-CG 4.22Å; I24-M88 HydrophobicContact CD1-CE 4.06Å; I24-M88 HydrophobicContact CD1-SD 3.99Å; I24-M88 HydrophobicContact CG1-CE 4.05Å
25R84.6Confident79.9Confident101 Ų10175.6 Ų75.638%0.38140%0.401SS..Hα-helixtrans-67.5-47.6177.4179.160.4-169.3-135.711.4112K21 Q22 E23 A27 F28 D29 F77K21-R25 WeakPolarHBondContact O-CB 3.5Å; K21-R25 PolarHBondContact O-N 3.26Å; Q22-R25 WeakPolarHBondContact O-CB 3.5Å; Q22-R25 PolarHBondContact O-N 2.9Å; Q22-R25 VanDerWaalsContact O-N 3.1Å; E23-R25 VanDerWaalsContact C-N 3.28Å; E23-R25 PolarHBondContact O-N 3.34Å; R25-A27 VanDerWaalsContact C-N 3.25Å; R25-A27 PolarHBondContact O-N 2.79Å; R25-F28 WeakPolarHBondContact O-CB 3.37Å; R25-F28 PolarHBondContact O-N 2.94Å; R25-F28 VanDerWaalsContact O-N 3.12Å; R25-D29 IonicContact CZ-OD1 3.48Å; R25-D29 IonicContact CZ-OD2 3.88Å; R25-D29 IonicContact NE-OD1 3.03Å; R25-D29 PolarHBondContact NE-OD1 2.88Å; R25-D29 IonicContact NE-OD2 3Å; R25-D29 PolarHBondContact NE-OD2 3.28Å; R25-D29 IonicContact NH2-OD1 3.17Å; R25-D29 PolarHBondContact NH2-OD1 3.06Å; R25-D29 VanDerWaalsContact NH2-OD1 3.17Å; R25-D29 IonicContact NH2-OD2 3.82Å; R25-D29 PolarHBondContact O-N 3.27Å; R25-F77 HydrophobicContact CB-CE2 4.14Å; R25-F77 HydrophobicContact CB-CZ 4.04Å; R25-F77 HydrophobicContact CG-CZ 4.41Å
26E84.9Confident80.8Confident113 Ų11370.7 Ų70.753%0.52838%0.383SS..Hα-helixtrans-61.1-39177.1-72.2175.3-176.800111.4Q22 E23 D29 L30Q22-E26 PolarHBondContact NE2-OE1 3.35Å; Q22-E26 WeakPolarHBondContact O-CG 3.38Å; Q22-E26 PolarHBondContact O-N 3.23Å; E23-E26 PolarHBondContact O-N 2.77Å; E26-D29 PolarHBondContact O-N 2.97Å; E26-L30 WeakPolarHBondContact O-CB 3.45Å; E26-L30 PolarHBondContact O-N 3.3Å
27A82.1Confident81.5Confident8 Ų871.6 Ų71.67%0.06640%0.396CS..Hα-helixtrans-64.1-46173.300000111.7E23 R25 D29 L30 F31 L51E23-A27 WeakPolarHBondContact O-CB 3.45Å; E23-A27 PolarHBondContact O-N 2.9Å; R25-A27 VanDerWaalsContact C-N 3.25Å; R25-A27 PolarHBondContact O-N 2.79Å; A27-D29 VanDerWaalsContact C-N 3.34Å; A27-D29 PolarHBondContact O-N 3.42Å; A27-L30 WeakPolarHBondContact O-CB 3.33Å; A27-L30 PolarHBondContact O-N 3.43Å; A27-L30 VanDerWaalsContact O-N 3.15Å; A27-F31 HydrophobicContact CB-CE2 4.31Å; A27-F31 WeakPolarHBondContact O-CD2 3.21Å; A27-F31 WeakPolarHBondContact O-CE2 3.21Å; A27-F31 PolarHBondContact O-N 3.37Å; A27-L51 HydrophobicContact CB-CD1 3.68Å; A27-L51 HydrophobicContact CB-CD2 3.45Å; A27-L51 VanDerWaalsContact CB-CD2 3.45Å; A27-L51 HydrophobicContact CB-CG 3.89Å
28F83.8Confident81.8Confident3 Ų369.6 Ų69.61%0.01338%0.384CS..Hα-helixtrans-57.4-47.9176.5-178-89000111.7I24 R25 L30 F31 D32 I39 F77 F80I24-F28 WeakPolarHBondContact O-CB 3.44Å; I24-F28 PolarHBondContact O-N 3.42Å; R25-F28 WeakPolarHBondContact O-CB 3.37Å; R25-F28 PolarHBondContact O-N 2.94Å; R25-F28 VanDerWaalsContact O-N 3.12Å; F28-L30 PolarHBondContact O-N 3.03Å; F28-F31 PolarHBondContact O-N 2.91Å; F28-D32 HydrophobicContact CD1-CB 4.26Å; F28-D32 HydrophobicContact CE1-CB 3.83Å; F28-D32 HydrophobicContact CZ-CB 4.33Å; F28-D32 PolarHBondContact O-N 3.48Å; F28-I39 HydrophobicContact CD2-CD1 3.21Å; F28-I39 HydrophobicContact CD2-CG1 3.95Å; F28-I39 HydrophobicContact CE2-CD1 3.4Å; F28-I39 HydrophobicContact CE2-CG1 3.64Å; F28-I39 HydrophobicContact CG-CD1 3.95Å; F28-I39 HydrophobicContact CZ-CD1 4.25Å; F28-I39 HydrophobicContact CZ-CG1 4.08Å; F28-F77 HydrophobicContact CB-CD2 3.7Å; F28-F77 HydrophobicContact CB-CE2 3.98Å; F28-F77 HydrophobicContact CD1-CB 4.24Å; F28-F77 AromaticContact CD1-CD2 3.86Å; F28-F77 HydrophobicContact CD1-CD2 3.86Å; F28-F77 HydrophobicContact CD1-CG 4.43Å; F28-F77 HydrophobicContact CD2-CB 4.2Å; F28-F77 AromaticContact CD2-CD2 3.75Å; F28-F77 HydrophobicContact CD2-CD2 3.75Å; F28-F77 HydrophobicContact CD2-CG 4.49Å; F28-F77 HydrophobicContact CE1-CB 3.99Å; F28-F77 HydrophobicContact CE1-CD2 4.46Å; F28-F77 VanDerWaalsContact CE2-CA 3.41Å; F28-F77 HydrophobicContact CE2-CB 3.95Å; F28-F77 HydrophobicContact CE2-CD2 4.37Å; F28-F77 HydrophobicContact CG-CB 4.35Å; F28-F77 AromaticContact CG-CD2 3.48Å; F28-F77 HydrophobicContact CG-CD2 3.48Å; F28-F77 VanDerWaalsContact CG-CD2 3.48Å; F28-F77 HydrophobicContact CG-CE2 4.26Å; F28-F77 HydrophobicContact CG-CG 4.36Å; F28-F77 HydrophobicContact CZ-CB 3.85Å; F28-F80 HydrophobicContact CB-CD1 3.91Å; F28-F80 HydrophobicContact CB-CE1 4.01Å; F28-F80 HydrophobicContact CD2-CB 3.73Å; F28-F80 AromaticContact CD2-CD1 3.78Å; F28-F80 HydrophobicContact CD2-CD1 3.78Å; F28-F80 HydrophobicContact CD2-CD2 4.45Å; F28-F80 HydrophobicContact CD2-CE1 4.49Å; F28-F80 AromaticContact CD2-CG 3.75Å; F28-F80 HydrophobicContact CD2-CG 3.75Å; F28-F80 HydrophobicContact CE2-CB 4.09Å; F28-F80 HydrophobicContact CE2-CG 4.49Å; F28-F80 HydrophobicContact CG-CD1 4.34Å
29D85.3Confident82.1Confident69 Ų6963.1 Ų63.137%0.36935%0.354SS..Hα-helixtrans-65.9-25.5-179.7-66-24.5000111.8R25 E26 A27 F31R25-D29 IonicContact CZ-OD1 3.48Å; R25-D29 IonicContact CZ-OD2 3.88Å; R25-D29 IonicContact NE-OD1 3.03Å; R25-D29 PolarHBondContact NE-OD1 2.88Å; R25-D29 IonicContact NE-OD2 3Å; R25-D29 PolarHBondContact NE-OD2 3.28Å; R25-D29 IonicContact NH2-OD1 3.17Å; R25-D29 PolarHBondContact NH2-OD1 3.06Å; R25-D29 VanDerWaalsContact NH2-OD1 3.17Å; R25-D29 IonicContact NH2-OD2 3.82Å; R25-D29 PolarHBondContact O-N 3.27Å; E26-D29 PolarHBondContact O-N 2.97Å; A27-D29 VanDerWaalsContact C-N 3.34Å; A27-D29 PolarHBondContact O-N 3.42Å; D29-F31 VanDerWaalsContact C-N 3.35Å
30L81.7Confident82.3Confident118 Ų11860 Ų6062%0.61834%0.337SS*.Hα-helixtrans-69.8-31172-167.3147000112.5E26 A27 F28E26-L30 WeakPolarHBondContact O-CB 3.45Å; E26-L30 PolarHBondContact O-N 3.3Å; A27-L30 WeakPolarHBondContact O-CB 3.33Å; A27-L30 PolarHBondContact O-N 3.43Å; A27-L30 VanDerWaalsContact O-N 3.15Å; F28-L30 PolarHBondContact O-N 3.03Å
31F78.3Confident82.4Confident23 Ų2358.5 Ų58.510%0.10133%0.33CS..Hα-helixtrans-90.8-30.9178.3-61.8-61000113.3A27 F28 D29 A33 I39 A47 A50A27-F31 HydrophobicContact CB-CE2 4.31Å; A27-F31 WeakPolarHBondContact O-CD2 3.21Å; A27-F31 WeakPolarHBondContact O-CE2 3.21Å; A27-F31 PolarHBondContact O-N 3.37Å; F28-F31 PolarHBondContact O-N 2.91Å; D29-F31 VanDerWaalsContact C-N 3.35Å; F31-A33 PolarHBondContact O-N 3.25Å; F31-A33 VanDerWaalsContact O-N 3.16Å; F31-I39 HydrophobicContact CB-CD1 3.59Å; F31-I39 HydrophobicContact CB-CG1 3.77Å; F31-I39 HydrophobicContact CB-CG2 3.94Å; F31-I39 HydrophobicContact CG-CD1 4.46Å; F31-A47 HydrophobicContact CB-CB 4.49Å; F31-A47 HydrophobicContact CD1-CB 3.6Å; F31-A47 HydrophobicContact CD2-CB 3.23Å; F31-A47 HydrophobicContact CE1-CB 3.73Å; F31-A47 VanDerWaalsContact CE2-CA 3.43Å; F31-A47 HydrophobicContact CE2-CB 3.38Å; F31-A47 HydrophobicContact CG-CB 3.45Å; F31-A47 VanDerWaalsContact CG-CB 3.45Å; F31-A47 HydrophobicContact CZ-CB 3.71Å; F31-A50 HydrophobicContact CE1-CB 4.3Å; F31-A50 HydrophobicContact CZ-CB 3.63Å
32D84.1Confident82.1Confident12 Ų1263.4 Ų63.46%0.06435%0.352CS..  trans-86.455.3170.6-175.639.5000110.6F28 D34 G35 T36 G37 I39F28-D32 HydrophobicContact CD1-CB 4.26Å; F28-D32 HydrophobicContact CE1-CB 3.83Å; F28-D32 HydrophobicContact CZ-CB 4.33Å; F28-D32 PolarHBondContact O-N 3.48Å; D32-D34 PolarHBondContact O-N 2.78Å; D32-D34 VanDerWaalsContact O-N 3.13Å; D32-G35 PolarHBondContact O-N 3.16Å; D32-G35 WeakPolarHBondContact OD2-CA 3.36Å; D32-T36 PolarHBondContact OD1-N 2.99Å; D32-T36 PolarHBondContact OD1-OG1 3.28Å; D32-T36 PolarHBondContact OD2-N 3.18Å; D32-G37 PolarHBondContact OD1-N 3.43Å; D32-G37 WeakPolarHBondContact OD2-CA 3.48Å; D32-G37 PolarHBondContact OD2-N 3.47Å; D32-I39 HydrophobicContact CB-CG1 4.27Å
33A74.1Confident81.9Confident93 Ų9362.9 Ų62.977%0.76935%0.349SS*.THydrogen-bonded Turntrans-62.2-22.8-173.400000113.5F31F31-A33 PolarHBondContact O-N 3.25Å; F31-A33 VanDerWaalsContact O-N 3.16Å
34D81Confident81.7Confident123 Ų12357.5 Ų57.566%0.65832%0.324SS*.THydrogen-bonded Turntrans-91.2-1.5175.655.9-37.8000113.8D32 T36D32-D34 PolarHBondContact O-N 2.78Å; D32-D34 VanDerWaalsContact O-N 3.13Å; D34-T36 VanDerWaalsContact C-N 3.32Å; D34-T36 HydrophobicContact CB-CG2 4.3Å; D34-T36 PolarHBondContact O-N 2.8Å; D34-T36 WeakPolarHBondContact OD2-CG2 3.46Å
35G83Confident81.5Confident62 Ų6261.3 Ų61.364%0.63934%0.341SS*.  trans65.931.5172.700000113.7D32 G37D32-G35 PolarHBondContact O-N 3.16Å; D32-G35 WeakPolarHBondContact OD2-CA 3.36Å; G35-G37 PolarHBondContact O-N 3.31Å
36T84.6Confident81.2Confident69 Ų6960.9 Ų60.942%0.42335%0.349SS..SBendtrans-76.8-12-179.564.90000113.1D32 D34 T38D32-T36 PolarHBondContact OD1-N 2.99Å; D32-T36 PolarHBondContact OD1-OG1 3.28Å; D32-T36 PolarHBondContact OD2-N 3.18Å; D34-T36 VanDerWaalsContact C-N 3.32Å; D34-T36 HydrophobicContact CB-CG2 4.3Å; D34-T36 PolarHBondContact O-N 2.8Å; D34-T36 WeakPolarHBondContact OD2-CG2 3.46Å; T36-T38 PolarHBondContact OG1-N 2.86Å; T36-T38 PolarHBondContact OG1-O 3.31Å; T36-T38 PolarHBondContact OG1-OG1 3.21Å
37G85.1Confident80.8Confident36 Ų3655.5 Ų55.537%0.37132%0.324SS..SBendtrans74.912.1-168.800000112.8D32 G35D32-G37 PolarHBondContact OD1-N 3.43Å; D32-G37 WeakPolarHBondContact OD2-CA 3.48Å; D32-G37 PolarHBondContact OD2-N 3.47Å; G35-G37 PolarHBondContact O-N 3.31Å
38T85.7Confident80.4Confident33 Ų3355.2 Ų55.220%0.20232%0.321CS..EExtended strand (participates in β ladder)trans-143.7139-177.659.90000112.5T36 K74 M75 N76T36-T38 PolarHBondContact OG1-N 2.86Å; T36-T38 PolarHBondContact OG1-O 3.31Å; T36-T38 PolarHBondContact OG1-OG1 3.21Å; T38-K74 HydrophobicContact CG2-CB 4.47Å; T38-M75 CarbonylContact C-O 3.49Å; T38-M75 VanDerWaalsContact CA-O 3.25Å; T38-M75 WeakPolarHBondContact CA-O 3.33Å; T38-N76 HydrophobicContact CG2-CB 4.45Å
39I84.2Confident80.2Confident3 Ų361.5 Ų61.52%0.01535%0.345CS..EExtended strand (participates in β ladder)trans-100.1139.3173.2-59.6165.9000109.1F28 F31 D32 I41 E43 K74 M75 F80F28-I39 HydrophobicContact CD2-CD1 3.21Å; F28-I39 HydrophobicContact CD2-CG1 3.95Å; F28-I39 HydrophobicContact CE2-CD1 3.4Å; F28-I39 HydrophobicContact CE2-CG1 3.64Å; F28-I39 HydrophobicContact CG-CD1 3.95Å; F28-I39 HydrophobicContact CZ-CD1 4.25Å; F28-I39 HydrophobicContact CZ-CG1 4.08Å; F31-I39 HydrophobicContact CB-CD1 3.59Å; F31-I39 HydrophobicContact CB-CG1 3.77Å; F31-I39 HydrophobicContact CB-CG2 3.94Å; F31-I39 HydrophobicContact CG-CD1 4.46Å; D32-I39 HydrophobicContact CB-CG1 4.27Å; I39-I41 PolarHBondContact O-N 2.88Å; I39-E43 HydrophobicContact CG2-CB 4.1Å; I39-K74 WeakPolarHBondContact O-CA 3.36Å; I39-M75 PolarHBondContact N-O 2.79Å; I39-M75 PolarHBondContact O-N 3.45Å; I39-F80 HydrophobicContact CD1-CD2 4.06Å; I39-F80 HydrophobicContact CD1-CE2 4.25Å; I39-F80 HydrophobicContact CD1-CG 4.42Å
40D83.8Confident79.6Confident60 Ų6061.5 Ų61.532%0.32135%0.354SS..EExtended strand (participates in β ladder)trans-68.3130.8169.9-170.8-45.8000108.9K42 E43 L44D40-K42 PolarHBondContact O-N 2.83Å; D40-K42 VanDerWaalsContact OD1-CB 3.27Å; D40-K42 WeakPolarHBondContact OD1-CB 3.45Å; D40-K42 VanDerWaalsContact OD1-CG 3.26Å; D40-K42 WeakPolarHBondContact OD1-CG 3.47Å; D40-K42 PolarHBondContact OD1-N 3.36Å; D40-E43 HydrophobicContact CB-CG 4.24Å; D40-E43 WeakPolarHBondContact O-CA 3.28Å; D40-E43 WeakPolarHBondContact O-CB 3.49Å; D40-E43 PolarHBondContact O-N 3.42Å; D40-L44 PolarHBondContact O-N 3.31Å
41I76.9Confident79.1Confident15 Ų1558.7 Ų58.78%0.07734%0.339CS..THydrogen-bonded Turntrans-57-25.8-179.9-74.4176.4000112.8I39 E43 L44 I64 D68 G73 M75I39-I41 PolarHBondContact O-N 2.88Å; I41-E43 PolarHBondContact O-N 2.94Å; I41-L44 VanDerWaalsContact O-CB 3.25Å; I41-L44 WeakPolarHBondContact O-CB 3.29Å; I41-L44 PolarHBondContact O-N 2.9Å; I41-I64 HydrophobicContact CD1-CG2 4.28Å; I41-I64 HydrophobicContact CG2-CB 4.24Å; I41-I64 HydrophobicContact CG2-CD1 3.2Å; I41-I64 HydrophobicContact CG2-CG1 3.31Å; I41-I64 HydrophobicContact CG2-CG2 3.94Å; I41-D68 HydrophobicContact CD1-CB 3.4Å; I41-D68 VanDerWaalsContact CD1-CB 3.4Å; I41-D68 WeakPolarHBondContact CD1-OD2 3.19Å; I41-G73 VanDerWaalsContact CD1-C 3.49Å; I41-G73 WeakPolarHBondContact CG1-O 3.33Å; I41-G73 PolarHBondContact N-O 2.79Å; I41-G73 VanDerWaalsContact N-O 3.08Å; I41-M75 HydrophobicContact CG1-CB 4.47Å
42K76Confident78.8Confident171 Ų17160.8 Ų60.874%0.74337%0.368SS*.THydrogen-bonded Turntrans-64.7-26.9173.3-64.7167.5-170.5158.10112.4D40D40-K42 PolarHBondContact O-N 2.83Å; D40-K42 VanDerWaalsContact OD1-CB 3.27Å; D40-K42 WeakPolarHBondContact OD1-CB 3.45Å; D40-K42 VanDerWaalsContact OD1-CG 3.26Å; D40-K42 WeakPolarHBondContact OD1-CG 3.47Å; D40-K42 PolarHBondContact OD1-N 3.36Å
43E76.8Confident78.3Confident91 Ų9162.1 Ų62.143%0.42537%0.373SS..THydrogen-bonded Turntrans-88.4-15.8-179.5-59.9179135.700112.2I39 D40 I41 K45 V46 A47I39-E43 HydrophobicContact CG2-CB 4.1Å; D40-E43 HydrophobicContact CB-CG 4.24Å; D40-E43 WeakPolarHBondContact O-CA 3.28Å; D40-E43 WeakPolarHBondContact O-CB 3.49Å; D40-E43 PolarHBondContact O-N 3.42Å; I41-E43 PolarHBondContact O-N 2.94Å; E43-K45 PolarHBondContact O-N 2.99Å; E43-K45 VanDerWaalsContact O-N 3.12Å; E43-V46 WeakPolarHBondContact O-CA 3.44Å; E43-V46 WeakPolarHBondContact O-CB 3.27Å; E43-V46 PolarHBondContact O-N 2.99Å; E43-A47 PolarHBondContact O-N 2.94Å
44L77.2Confident78.5Confident2 Ų265.9 Ų65.91%0.0138%0.375CS..Hα-helixtrans-51.9-39.2176.3-176.864.4000112.8D40 I41 V46 A47 M48 I64 M75 F80D40-L44 PolarHBondContact O-N 3.31Å; I41-L44 VanDerWaalsContact O-CB 3.25Å; I41-L44 WeakPolarHBondContact O-CB 3.29Å; I41-L44 PolarHBondContact O-N 2.9Å; L44-V46 VanDerWaalsContact C-N 3.33Å; L44-V46 PolarHBondContact O-N 3.01Å; L44-A47 WeakPolarHBondContact O-CB 3.44Å; L44-A47 PolarHBondContact O-N 3.14Å; L44-M48 HydrophobicContact CD1-CG 4.35Å; L44-M48 HydrophobicContact CG-SD 4.3Å; L44-M48 VanDerWaalsContact O-CG 3.29Å; L44-M48 WeakPolarHBondContact O-CG 3.46Å; L44-M48 PolarHBondContact O-N 3.18Å; L44-I64 HydrophobicContact CD2-CG1 4.45Å; L44-M75 HydrophobicContact CD1-CE 3.75Å; L44-M75 HydrophobicContact CD1-SD 4.04Å; L44-M75 HydrophobicContact CD2-CE 3.61Å; L44-M75 HydrophobicContact CG-CE 4.2Å; L44-F80 HydrophobicContact CD1-CD2 4.3Å; L44-F80 HydrophobicContact CD1-CE2 4.22Å
45K77.6Confident78.3Confident82 Ų8260.6 Ų60.636%0.35735%0.347SS..Hα-helixtrans-62.6-42.8177.2-174.3170.8-178.8-174.80112.1E43 A47 R49 I60E43-K45 PolarHBondContact O-N 2.99Å; E43-K45 VanDerWaalsContact O-N 3.12Å; K45-A47 VanDerWaalsContact C-N 3.29Å; K45-R49 WeakPolarHBondContact O-CG 3.32Å; K45-R49 PolarHBondContact O-N 2.95Å; K45-I60 HydrophobicContact CB-CD1 3.61Å; K45-I60 HydrophobicContact CD-CD1 3.68Å; K45-I60 HydrophobicContact CG-CD1 3.47Å; K45-I60 VanDerWaalsContact CG-CD1 3.47Å
46V79.8Confident78.1Confident92 Ų9264.5 Ų64.556%0.55835%0.347SS*.Hα-helixtrans-67.9-39.8178.9-178.10000108.6E43 L44 R49 A50E43-V46 WeakPolarHBondContact O-CA 3.44Å; E43-V46 WeakPolarHBondContact O-CB 3.27Å; E43-V46 PolarHBondContact O-N 2.99Å; L44-V46 VanDerWaalsContact C-N 3.33Å; L44-V46 PolarHBondContact O-N 3.01Å; V46-R49 PolarHBondContact O-N 3.09Å; V46-A50 PolarHBondContact O-N 3.49Å
47A75.9Confident77.8Confident0 Ų069.8 Ų69.80%036%0.364CS..Hα-helixtrans-58.3-52.2177.700000114.2F31 E43 L44 K45 R49 A50 L51 F80F31-A47 HydrophobicContact CB-CB 4.49Å; F31-A47 HydrophobicContact CD1-CB 3.6Å; F31-A47 HydrophobicContact CD2-CB 3.23Å; F31-A47 HydrophobicContact CE1-CB 3.73Å; F31-A47 VanDerWaalsContact CE2-CA 3.43Å; F31-A47 HydrophobicContact CE2-CB 3.38Å; F31-A47 HydrophobicContact CG-CB 3.45Å; F31-A47 VanDerWaalsContact CG-CB 3.45Å; F31-A47 HydrophobicContact CZ-CB 3.71Å; E43-A47 PolarHBondContact O-N 2.94Å; L44-A47 WeakPolarHBondContact O-CB 3.44Å; L44-A47 PolarHBondContact O-N 3.14Å; K45-A47 VanDerWaalsContact C-N 3.29Å; A47-R49 PolarHBondContact O-N 2.82Å; A47-A50 PolarHBondContact O-N 3.06Å; A47-L51 PolarHBondContact O-N 3.33Å; A47-F80 HydrophobicContact CB-CE2 4.47Å
48M74.5Confident77.6Confident2 Ų275.5 Ų75.51%0.0138%0.381CS..Hα-helixtrans-61.5-35.9178.7-68-175.678.800112.1L44 L51 G52 F53 P55 M63 K87L44-M48 HydrophobicContact CD1-CG 4.35Å; L44-M48 HydrophobicContact CG-SD 4.3Å; L44-M48 VanDerWaalsContact O-CG 3.29Å; L44-M48 WeakPolarHBondContact O-CG 3.46Å; L44-M48 PolarHBondContact O-N 3.18Å; M48-L51 CarbonylContact O-C 3.6Å; M48-L51 PolarHBondContact O-N 3.23Å; M48-G52 PolarHBondContact O-N 3.45Å; M48-F53 CarbonylContact C-O 3.58Å; M48-F53 HydrophobicContact CB-CB 4.25Å; M48-F53 WeakPolarHBondContact O-CA 3.47Å; M48-F53 VanDerWaalsContact O-CB 3.32Å; M48-F53 WeakPolarHBondContact O-CB 3.49Å; M48-F53 PolarHBondContact O-N 3.44Å; M48-P55 HydrophobicContact CB-CG 3.79Å; M48-P55 HydrophobicContact CE-CB 3.98Å; M48-P55 HydrophobicContact CE-CG 4.09Å; M48-P55 HydrophobicContact CG-CG 4.4Å; M48-P55 HydrophobicContact SD-CB 4.03Å; M48-P55 HydrophobicContact SD-CG 3.75Å; M48-M63 HydrophobicContact CE-CE 3.98Å; M48-M63 HydrophobicContact CE-SD 3.89Å; M48-M63 HydrophobicContact SD-CE 4.44Å; M48-M63 HydrophobicContact SD-SD 3.75Å; M48-K87 HydrophobicContact CE-CD 4.41Å; M48-K87 HydrophobicContact CE-CG 4.25Å
49R78.5Confident77.1Confident136 Ų13677.3 Ų77.351%0.51339%0.387SS..Hα-helixtrans-68.8-40.4177.1-75.5176.9171.1-162.2-9.4113.6K45 V46 A47 L51 G52 F53K45-R49 WeakPolarHBondContact O-CG 3.32Å; K45-R49 PolarHBondContact O-N 2.95Å; V46-R49 PolarHBondContact O-N 3.09Å; A47-R49 PolarHBondContact O-N 2.82Å; R49-L51 PolarHBondContact O-N 2.81Å; R49-G52 PolarHBondContact O-N 3.46Å; R49-F53 WeakPolarHBondContact CA-O 3.49Å; R49-F53 WeakPolarHBondContact CG-O 3.46Å; R49-F53 PolarHBondContact N-O 2.97Å
50A73.4Confident76.9Confident68 Ų6878 Ų7856%0.56239%0.39SS*.Hα-helixtrans-62.2-30.2175.300000112F31 V46 A47 G52F31-A50 HydrophobicContact CE1-CB 4.3Å; F31-A50 HydrophobicContact CZ-CB 3.63Å; V46-A50 PolarHBondContact O-N 3.49Å; A47-A50 PolarHBondContact O-N 3.06Å; A50-G52 PolarHBondContact O-N 3.03Å
51L70.1Confident76.7Confident59 Ų5982.8 Ų82.831%0.30941%0.408SS..THydrogen-bonded Turntrans-82.36.8173.5-70.2177.1000114.1A27 A47 M48 R49 F53 F80 M84A27-L51 HydrophobicContact CB-CD1 3.68Å; A27-L51 HydrophobicContact CB-CD2 3.45Å; A27-L51 VanDerWaalsContact CB-CD2 3.45Å; A27-L51 HydrophobicContact CB-CG 3.89Å; A47-L51 PolarHBondContact O-N 3.33Å; M48-L51 CarbonylContact O-C 3.6Å; M48-L51 PolarHBondContact O-N 3.23Å; R49-L51 PolarHBondContact O-N 2.81Å; L51-F53 HydrophobicContact CB-CD2 3.72Å; L51-F53 HydrophobicContact CB-CE2 3.93Å; L51-F53 WeakPolarHBondContact O-CD2 3.33Å; L51-F80 HydrophobicContact CD1-CZ 4.2Å; L51-M84 HydrophobicContact CD1-CE 3.32Å; L51-M84 HydrophobicContact CD1-SD 4.11Å
52G72.4Confident76.9Confident68 Ų6887.7 Ų87.770%0.70143%0.429SS*.THydrogen-bonded Turntrans80.911.2177.800000115.1M48 R49 A50M48-G52 PolarHBondContact O-N 3.45Å; R49-G52 PolarHBondContact O-N 3.46Å; A50-G52 PolarHBondContact O-N 3.03Å
53F73.8Confident76.9Confident39 Ų3980.1 Ų80.117%0.17140%0.397CS..  trans-94.3141.8173.1-58.2-90.1000111.3M48 R49 L51 P55 M84 K91M48-F53 CarbonylContact C-O 3.58Å; M48-F53 HydrophobicContact CB-CB 4.25Å; M48-F53 WeakPolarHBondContact O-CA 3.47Å; M48-F53 VanDerWaalsContact O-CB 3.32Å; M48-F53 WeakPolarHBondContact O-CB 3.49Å; M48-F53 PolarHBondContact O-N 3.44Å; R49-F53 WeakPolarHBondContact CA-O 3.49Å; R49-F53 WeakPolarHBondContact CG-O 3.46Å; R49-F53 PolarHBondContact N-O 2.97Å; L51-F53 HydrophobicContact CB-CD2 3.72Å; L51-F53 HydrophobicContact CB-CE2 3.93Å; L51-F53 WeakPolarHBondContact O-CD2 3.33Å; F53-P55 VanDerWaalsContact C-CD 3.41Å; F53-P55 WeakPolarHBondContact O-CD 3.43Å; F53-M84 HydrophobicContact CD2-CE 4.33Å; F53-M84 HydrophobicContact CE2-CE 3.67Å; F53-M84 HydrophobicContact CZ-CE 4.28Å; F53-K91 HydrophobicContact CE1-CD 4.06Å
54E78.9Confident77Confident173 Ų17378.1 Ų78.181%0.80839%0.388SS*.  trans-113.975.1174.3-68.7-160.7122.900112
55P75.5Confident77.2Confident12 Ų1281.6 Ų81.68%0.07841%0.413CS..  trans-72.4138.6-176.631.1-37.9000112.3M48 F53 I60M48-P55 HydrophobicContact CB-CG 3.79Å; M48-P55 HydrophobicContact CE-CB 3.98Å; M48-P55 HydrophobicContact CE-CG 4.09Å; M48-P55 HydrophobicContact CG-CG 4.4Å; M48-P55 HydrophobicContact SD-CB 4.03Å; M48-P55 HydrophobicContact SD-CG 3.75Å; F53-P55 VanDerWaalsContact C-CD 3.41Å; F53-P55 WeakPolarHBondContact O-CD 3.43Å; P55-I60 HydrophobicContact CB-CD1 4.24Å; P55-I60 HydrophobicContact CB-CG1 3.82Å; P55-I60 HydrophobicContact CG-CD1 3.92Å; P55-I60 HydrophobicContact CG-CG1 3.98Å
56K79.5Confident77.1Confident143 Ų14381.8 Ų81.862%0.62242%0.415SS*.  trans-73.4156172.1-63.9-178.8-177.9-178.90111E58 E59 I60K56-E58 PolarHBondContact O-N 2.91Å; K56-E59 HydrophobicContact CB-CG 4.21Å; K56-E59 WeakPolarHBondContact CB-OE2 3.42Å; K56-E59 PolarHBondContact N-OE2 3.19Å; K56-E59 WeakPolarHBondContact O-CB 3.37Å; K56-E59 PolarHBondContact O-N 3.45Å; K56-I60 WeakPolarHBondContact O-CG1 3.39Å; K56-I60 PolarHBondContact O-N 3.14Å
57K78Confident76.9Confident180 Ų18078.8 Ų78.878%0.78340%0.396SS*.Hα-helixtrans-55-38.8180-170.9-179.4-178.3-1790112.6K61K57-K61 WeakPolarHBondContact O-CB 3.45Å; K57-K61 PolarHBondContact O-N 2.91Å
58E80.4Confident77.2Confident157 Ų15780.1 Ų80.173%0.73440%0.403SS*.Hα-helixtrans-67.5-40.3178.6-68.3161.4178.700112.1K56 K61 K62K56-E58 PolarHBondContact O-N 2.91Å; E58-K61 PolarHBondContact O-N 3.38Å; E58-K62 WeakPolarHBondContact O-CB 3.46Å; E58-K62 PolarHBondContact O-N 3.24Å
59E76.2Confident77.2Confident71 Ų7188.4 Ų88.433%0.33244%0.439SS..Hα-helixtrans-65.2-43.8176.9-65.4-179.695.700111.2K56 K61 K62 M63 K87K56-E59 HydrophobicContact CB-CG 4.21Å; K56-E59 WeakPolarHBondContact CB-OE2 3.42Å; K56-E59 PolarHBondContact N-OE2 3.19Å; K56-E59 WeakPolarHBondContact O-CB 3.37Å; K56-E59 PolarHBondContact O-N 3.45Å; E59-K61 VanDerWaalsContact C-N 3.34Å; E59-K61 PolarHBondContact O-N 3.26Å; E59-K62 WeakPolarHBondContact O-CB 3.26Å; E59-K62 PolarHBondContact O-N 3.32Å; E59-M63 HydrophobicContact CB-CE 3.96Å; E59-M63 WeakPolarHBondContact O-CG 3.3Å; E59-M63 PolarHBondContact O-N 2.84Å; E59-K87 IonicContact OE1-NZ 3.46Å; E59-K87 PolarHBondContact OE1-NZ 2.79Å
60I79.4Confident77.2Confident16 Ų1690.4 Ų90.48%0.08245%0.454CS..Hα-helixtrans-60.6-47.4174.9-61.4178.2000109.8K45 P55 K56 K62 M63 I64K45-I60 HydrophobicContact CB-CD1 3.61Å; K45-I60 HydrophobicContact CD-CD1 3.68Å; K45-I60 HydrophobicContact CG-CD1 3.47Å; K45-I60 VanDerWaalsContact CG-CD1 3.47Å; P55-I60 HydrophobicContact CB-CD1 4.24Å; P55-I60 HydrophobicContact CB-CG1 3.82Å; P55-I60 HydrophobicContact CG-CD1 3.92Å; P55-I60 HydrophobicContact CG-CG1 3.98Å; K56-I60 WeakPolarHBondContact O-CG1 3.39Å; K56-I60 PolarHBondContact O-N 3.14Å; I60-K62 PolarHBondContact O-N 2.98Å; I60-M63 PolarHBondContact O-N 3.23Å; I60-M63 VanDerWaalsContact O-N 3.17Å; I60-I64 HydrophobicContact CG2-CD1 3.66Å; I60-I64 HydrophobicContact CG2-CG1 4.22Å; I60-I64 WeakPolarHBondContact O-CG1 3.44Å; I60-I64 PolarHBondContact O-N 3.14Å
61K80.4Confident77.5Confident161 Ų16190.1 Ų90.170%0.746%0.457SS*.Hα-helixtrans-58.9-38.7178.6-168.7-179.3-179.6-173.90111.7K57 E58 E59 S65K57-K61 WeakPolarHBondContact O-CB 3.45Å; K57-K61 PolarHBondContact O-N 2.91Å; E58-K61 PolarHBondContact O-N 3.38Å; E59-K61 VanDerWaalsContact C-N 3.34Å; E59-K61 PolarHBondContact O-N 3.26Å; K61-S65 PolarHBondContact O-N 3.35Å; K61-S65 PolarHBondContact O-OG 2.89Å
62K80.4Confident78Confident119 Ų11991.2 Ų91.252%0.51747%0.467SS..Hα-helixtrans-63.9-49.9175.1-168.9-171.4170.5-166.60111.2E58 E59 I60 I64 S65 E66E58-K62 WeakPolarHBondContact O-CB 3.46Å; E58-K62 PolarHBondContact O-N 3.24Å; E59-K62 WeakPolarHBondContact O-CB 3.26Å; E59-K62 PolarHBondContact O-N 3.32Å; I60-K62 PolarHBondContact O-N 2.98Å; K62-I64 VanDerWaalsContact C-N 3.3Å; K62-I64 PolarHBondContact O-N 3.27Å; K62-S65 PolarHBondContact O-N 2.93Å; K62-S65 VanDerWaalsContact O-N 3.08Å; K62-S65 PolarHBondContact O-OG 2.99Å; K62-E66 WeakPolarHBondContact O-CG 3.49Å; K62-E66 PolarHBondContact O-N 2.83Å
63M76.4Confident78.5Confident12 Ų1289.2 Ų89.26%0.05945%0.446CS..Hα-helixtrans-56.3-46.2176.6-69.2166.9-14900111.7M48 E59 I60 S65 E66 I67 V83 K87M48-M63 HydrophobicContact CE-CE 3.98Å; M48-M63 HydrophobicContact CE-SD 3.89Å; M48-M63 HydrophobicContact SD-CE 4.44Å; M48-M63 HydrophobicContact SD-SD 3.75Å; E59-M63 HydrophobicContact CB-CE 3.96Å; E59-M63 WeakPolarHBondContact O-CG 3.3Å; E59-M63 PolarHBondContact O-N 2.84Å; I60-M63 PolarHBondContact O-N 3.23Å; I60-M63 VanDerWaalsContact O-N 3.17Å; M63-S65 VanDerWaalsContact C-N 3.3Å; M63-S65 PolarHBondContact O-N 2.8Å; M63-E66 PolarHBondContact O-N 3.34Å; M63-I67 HydrophobicContact CB-CD1 4.22Å; M63-I67 WeakPolarHBondContact O-CD1 3.31Å; M63-I67 WeakPolarHBondContact O-CG1 3.31Å; M63-I67 PolarHBondContact O-N 2.98Å; M63-V83 HydrophobicContact CG-CG1 4.38Å; M63-V83 HydrophobicContact SD-CG1 4.05Å; M63-K87 HydrophobicContact CE-CD 4.35Å
64I79.6Confident79Confident48 Ų4892.5 Ų92.525%0.24646%0.46CS..Hα-helixtrans-57.2-46.7177.3-66.5171.8000110.4I41 L44 I60 K62 E66 I67 D68I41-I64 HydrophobicContact CD1-CG2 4.28Å; I41-I64 HydrophobicContact CG2-CB 4.24Å; I41-I64 HydrophobicContact CG2-CD1 3.2Å; I41-I64 HydrophobicContact CG2-CG1 3.31Å; I41-I64 HydrophobicContact CG2-CG2 3.94Å; L44-I64 HydrophobicContact CD2-CG1 4.45Å; I60-I64 HydrophobicContact CG2-CD1 3.66Å; I60-I64 HydrophobicContact CG2-CG1 4.22Å; I60-I64 WeakPolarHBondContact O-CG1 3.44Å; I60-I64 PolarHBondContact O-N 3.14Å; K62-I64 VanDerWaalsContact C-N 3.3Å; K62-I64 PolarHBondContact O-N 3.27Å; I64-E66 PolarHBondContact O-N 2.84Å; I64-I67 PolarHBondContact O-N 3.36Å; I64-D68 HydrophobicContact CG2-CB 4.34Å; I64-D68 WeakPolarHBondContact O-CB 3.37Å; I64-D68 PolarHBondContact O-N 2.91Å
65S80.9Confident79.3Confident76 Ų7684.3 Ų84.353%0.53142%0.422SS..Hα-helixtrans-66.5-25178.966.80000114K61 K62 M63K61-S65 PolarHBondContact O-N 3.35Å; K61-S65 PolarHBondContact O-OG 2.89Å; K62-S65 PolarHBondContact O-N 2.93Å; K62-S65 VanDerWaalsContact O-N 3.08Å; K62-S65 PolarHBondContact O-OG 2.99Å; M63-S65 VanDerWaalsContact C-N 3.3Å; M63-S65 PolarHBondContact O-N 2.8Å
66E75.3Confident79.9Confident85 Ų8586.9 Ų86.940%0.39744%0.435SS..Hα-helixtrans-80.3-29.4178.4-72.5175.8129.900112.1K62 M63 I64 K69K62-E66 WeakPolarHBondContact O-CG 3.49Å; K62-E66 PolarHBondContact O-N 2.83Å; M63-E66 PolarHBondContact O-N 3.34Å; I64-E66 PolarHBondContact O-N 2.84Å; E66-K69 VanDerWaalsContact O-CE 3.23Å; E66-K69 WeakPolarHBondContact O-CE 3.46Å
67I76.4Confident80.1Confident30 Ų3082.6 Ų82.615%0.15442%0.417CS..Hα-helixtrans-99.9-53.2-173.4-60.4155.5000111.6M63 I64 K69 M75 D79 V83M63-I67 HydrophobicContact CB-CD1 4.22Å; M63-I67 WeakPolarHBondContact O-CD1 3.31Å; M63-I67 WeakPolarHBondContact O-CG1 3.31Å; M63-I67 PolarHBondContact O-N 2.98Å; I64-I67 PolarHBondContact O-N 3.36Å; I67-K69 PolarHBondContact O-N 3.18Å; I67-M75 HydrophobicContact CD1-CE 3.35Å; I67-M75 HydrophobicContact CD1-SD 4.26Å; I67-M75 HydrophobicContact CG1-CE 4.5Å; I67-M75 HydrophobicContact CG2-CE 4.19Å; I67-M75 HydrophobicContact CG2-CG 4.17Å; I67-D79 HydrophobicContact CG2-CB 3.55Å; I67-V83 HydrophobicContact CD1-CG2 3.11Å; I67-V83 HydrophobicContact CG1-CG2 3.77Å
68D81.3Confident80.4Confident28 Ų2877.8 Ų77.815%0.1541%0.405CS..  trans-89.554.4-172.6-166.930000111.5I41 I64 E70 G71 T72 G73I41-D68 HydrophobicContact CD1-CB 3.4Å; I41-D68 VanDerWaalsContact CD1-CB 3.4Å; I41-D68 WeakPolarHBondContact CD1-OD2 3.19Å; I64-D68 HydrophobicContact CG2-CB 4.34Å; I64-D68 WeakPolarHBondContact O-CB 3.37Å; I64-D68 PolarHBondContact O-N 2.91Å; D68-E70 PolarHBondContact O-N 2.97Å; D68-G71 PolarHBondContact O-N 2.86Å; D68-G71 VanDerWaalsContact O-N 3.09Å; D68-G71 PolarHBondContact OD1-N 3.24Å; D68-G71 WeakPolarHBondContact OD2-CA 3.26Å; D68-T72 WeakPolarHBondContact OD1-CA 3.45Å; D68-T72 PolarHBondContact OD1-N 2.94Å; D68-T72 PolarHBondContact OD1-OG1 2.92Å; D68-T72 PolarHBondContact OD2-N 3.14Å; D68-G73 PolarHBondContact OD1-N 3.01Å; D68-G73 WeakPolarHBondContact OD2-CA 3.42Å; D68-G73 PolarHBondContact OD2-N 3.12Å
69K75Confident80.5Confident175 Ų17572.6 Ų72.676%0.76138%0.383SS*.THydrogen-bonded Turntrans-61.4-26.7180-64.8-177.7-176.4172.50112.3E66 I67E66-K69 VanDerWaalsContact O-CE 3.23Å; E66-K69 WeakPolarHBondContact O-CE 3.46Å; I67-K69 PolarHBondContact O-N 3.18Å
70E78.3Confident80.8Confident178 Ų17869.2 Ų69.283%0.83237%0.367SS*.THydrogen-bonded Turntrans-92-4.4-179.3-63.3-175.2104.300112.9D68 T72D68-E70 PolarHBondContact O-N 2.97Å; E70-T72 VanDerWaalsContact C-N 3.29Å; E70-T72 HydrophobicContact CB-CG2 3.89Å; E70-T72 PolarHBondContact O-N 3.45Å
71G80.1Confident80.9Confident62 Ų6270.6 Ų70.664%0.63937%0.374SS*.  trans66.529.6177.500000113.8D68 G73D68-G71 PolarHBondContact O-N 2.86Å; D68-G71 VanDerWaalsContact O-N 3.09Å; D68-G71 PolarHBondContact OD1-N 3.24Å; D68-G71 WeakPolarHBondContact OD2-CA 3.26Å; G71-G73 VanDerWaalsContact C-N 3.25Å; G71-G73 PolarHBondContact O-N 3.25Å
72T80.1Confident81Confident82 Ų8267 Ų6750%0.50337%0.366SS..  trans-69.8-22.5179.867.10000112.7D68 E70 K74D68-T72 WeakPolarHBondContact OD1-CA 3.45Å; D68-T72 PolarHBondContact OD1-N 2.94Å; D68-T72 PolarHBondContact OD1-OG1 2.92Å; D68-T72 PolarHBondContact OD2-N 3.14Å; E70-T72 VanDerWaalsContact C-N 3.29Å; E70-T72 HydrophobicContact CB-CG2 3.89Å; E70-T72 PolarHBondContact O-N 3.45Å; T72-K74 PolarHBondContact O-N 3.42Å; T72-K74 PolarHBondContact OG1-N 3.03Å; T72-K74 PolarHBondContact OG1-O 2.93Å
73G82.7Confident80.9Confident26 Ų2661.8 Ų61.827%0.26834%0.344SS..SBendtrans71.26.7-173.100000113.8I41 D68 G71I41-G73 VanDerWaalsContact CD1-C 3.49Å; I41-G73 WeakPolarHBondContact CG1-O 3.33Å; I41-G73 PolarHBondContact N-O 2.79Å; I41-G73 VanDerWaalsContact N-O 3.08Å; D68-G73 PolarHBondContact OD1-N 3.01Å; D68-G73 WeakPolarHBondContact OD2-CA 3.42Å; D68-G73 PolarHBondContact OD2-N 3.12Å; G71-G73 VanDerWaalsContact C-N 3.25Å; G71-G73 PolarHBondContact O-N 3.25Å
74K84Confident81Confident109 Ų10961.3 Ų61.347%0.47434%0.342SS..EExtended strand (participates in β ladder)trans-125.8148-173.4-67.9-171.6169.6-147.70111T38 I39 T72T38-K74 HydrophobicContact CG2-CB 4.47Å; I39-K74 WeakPolarHBondContact O-CA 3.36Å; T72-K74 PolarHBondContact O-N 3.42Å; T72-K74 PolarHBondContact OG1-N 3.03Å; T72-K74 PolarHBondContact OG1-O 2.93Å
75M85.6Confident81Confident1 Ų160.6 Ų60.61%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-123.2121.3177.4-176.4179.1-5500109.6T38 I39 I41 L44 I67 D79 F80T38-M75 CarbonylContact C-O 3.49Å; T38-M75 VanDerWaalsContact CA-O 3.25Å; T38-M75 WeakPolarHBondContact CA-O 3.33Å; I39-M75 PolarHBondContact N-O 2.79Å; I39-M75 PolarHBondContact O-N 3.45Å; I41-M75 HydrophobicContact CG1-CB 4.47Å; L44-M75 HydrophobicContact CD1-CE 3.75Å; L44-M75 HydrophobicContact CD1-SD 4.04Å; L44-M75 HydrophobicContact CD2-CE 3.61Å; L44-M75 HydrophobicContact CG-CE 4.2Å; I67-M75 HydrophobicContact CD1-CE 3.35Å; I67-M75 HydrophobicContact CD1-SD 4.26Å; I67-M75 HydrophobicContact CG1-CE 4.5Å; I67-M75 HydrophobicContact CG2-CE 4.19Å; I67-M75 HydrophobicContact CG2-CG 4.17Å; M75-D79 HydrophobicContact CG-CB 3.69Å; M75-F80 HydrophobicContact CG-CB 4.22Å; M75-F80 HydrophobicContact SD-CB 3.81Å; M75-F80 HydrophobicContact SD-CD2 3.77Å; M75-F80 HydrophobicContact SD-CG 4.3Å
76N87.1Confident80.7Confident66 Ų6661 Ų6135%0.35333%0.333SS..EExtended strand (participates in β ladder)trans-82.1171.1173.865.956.1000111.1T38 S78 D79 F80T38-N76 HydrophobicContact CG2-CB 4.45Å; N76-S78 VanDerWaalsContact C-N 3.3Å; N76-S78 PolarHBondContact O-N 3.36Å; N76-S78 WeakPolarHBondContact OD1-CA 3.35Å; N76-S78 VanDerWaalsContact OD1-CB 3.27Å; N76-S78 WeakPolarHBondContact OD1-CB 3.4Å; N76-S78 PolarHBondContact OD1-N 3.21Å; N76-D79 PolarHBondContact ND2-OD2 2.91Å; N76-D79 PolarHBondContact O-N 2.89Å; N76-D79 PolarHBondContact OD1-N 3.43Å; N76-D79 PolarHBondContact OD1-OD2 3.43Å; N76-F80 PolarHBondContact O-N 3.38Å
77F84.4Confident80.6Confident53 Ų5358.2 Ų58.223%0.23232%0.32CS..Hα-helixtrans-59.8-36.5-179.8-179.8-115.3000113.8I24 R25 F28 D79 F80 L81I24-F77 HydrophobicContact CG2-CE2 4.36Å; R25-F77 HydrophobicContact CB-CE2 4.14Å; R25-F77 HydrophobicContact CB-CZ 4.04Å; R25-F77 HydrophobicContact CG-CZ 4.41Å; F28-F77 HydrophobicContact CB-CD2 3.7Å; F28-F77 HydrophobicContact CB-CE2 3.98Å; F28-F77 HydrophobicContact CD1-CB 4.24Å; F28-F77 AromaticContact CD1-CD2 3.86Å; F28-F77 HydrophobicContact CD1-CD2 3.86Å; F28-F77 HydrophobicContact CD1-CG 4.43Å; F28-F77 HydrophobicContact CD2-CB 4.2Å; F28-F77 AromaticContact CD2-CD2 3.75Å; F28-F77 HydrophobicContact CD2-CD2 3.75Å; F28-F77 HydrophobicContact CD2-CG 4.49Å; F28-F77 HydrophobicContact CE1-CB 3.99Å; F28-F77 HydrophobicContact CE1-CD2 4.46Å; F28-F77 VanDerWaalsContact CE2-CA 3.41Å; F28-F77 HydrophobicContact CE2-CB 3.95Å; F28-F77 HydrophobicContact CE2-CD2 4.37Å; F28-F77 HydrophobicContact CG-CB 4.35Å; F28-F77 AromaticContact CG-CD2 3.48Å; F28-F77 HydrophobicContact CG-CD2 3.48Å; F28-F77 VanDerWaalsContact CG-CD2 3.48Å; F28-F77 HydrophobicContact CG-CE2 4.26Å; F28-F77 HydrophobicContact CG-CG 4.36Å; F28-F77 HydrophobicContact CZ-CB 3.85Å; F77-D79 VanDerWaalsContact C-N 3.33Å; F77-D79 PolarHBondContact O-N 2.86Å; F77-F80 PolarHBondContact O-N 2.96Å; F77-L81 VanDerWaalsContact O-CB 3.27Å; F77-L81 WeakPolarHBondContact O-CB 3.46Å; F77-L81 PolarHBondContact O-N 3.04Å
78S84.1Confident80.3Confident78 Ų7858.3 Ų58.355%0.54532%0.32SS..Hα-helixtrans-64.8-40.3179.3-176.50000111.6N76 T82N76-S78 VanDerWaalsContact C-N 3.3Å; N76-S78 PolarHBondContact O-N 3.36Å; N76-S78 WeakPolarHBondContact OD1-CA 3.35Å; N76-S78 VanDerWaalsContact OD1-CB 3.27Å; N76-S78 WeakPolarHBondContact OD1-CB 3.4Å; N76-S78 PolarHBondContact OD1-N 3.21Å; S78-T82 PolarHBondContact O-N 3.05Å; S78-T82 VanDerWaalsContact O-N 3.1Å; S78-T82 PolarHBondContact O-OG1 3.23Å
79D83.5Confident79.8Confident48 Ų4858.2 Ų58.226%0.25732%0.321SS..Hα-helixtrans-67.8-45.8176.3-65-31.5000111I67 M75 N76 F77 L81 T82 V83I67-D79 HydrophobicContact CG2-CB 3.55Å; M75-D79 HydrophobicContact CG-CB 3.69Å; N76-D79 PolarHBondContact ND2-OD2 2.91Å; N76-D79 PolarHBondContact O-N 2.89Å; N76-D79 PolarHBondContact OD1-N 3.43Å; N76-D79 PolarHBondContact OD1-OD2 3.43Å; F77-D79 VanDerWaalsContact C-N 3.33Å; F77-D79 PolarHBondContact O-N 2.86Å; D79-L81 PolarHBondContact O-N 2.94Å; D79-T82 WeakPolarHBondContact O-CB 3.41Å; D79-T82 PolarHBondContact O-N 3.24Å; D79-V83 WeakPolarHBondContact O-CG2 3.3Å; D79-V83 PolarHBondContact O-N 3.46Å
80F81.2Confident79.5Confident0 Ų053.5 Ų53.50%030%0.302CS..Hα-helixtrans-59-45.7176.5-173.2-102.4000111.9I24 F28 I39 L44 A47 L51 M75 N76 F77 T82 V83 M84I24-F80 HydrophobicContact CG2-CD1 3.82Å; I24-F80 HydrophobicContact CG2-CE1 3.83Å; F28-F80 HydrophobicContact CB-CD1 3.91Å; F28-F80 HydrophobicContact CB-CE1 4.01Å; F28-F80 HydrophobicContact CD2-CB 3.73Å; F28-F80 AromaticContact CD2-CD1 3.78Å; F28-F80 HydrophobicContact CD2-CD1 3.78Å; F28-F80 HydrophobicContact CD2-CD2 4.45Å; F28-F80 HydrophobicContact CD2-CE1 4.49Å; F28-F80 AromaticContact CD2-CG 3.75Å; F28-F80 HydrophobicContact CD2-CG 3.75Å; F28-F80 HydrophobicContact CE2-CB 4.09Å; F28-F80 HydrophobicContact CE2-CG 4.49Å; F28-F80 HydrophobicContact CG-CD1 4.34Å; I39-F80 HydrophobicContact CD1-CD2 4.06Å; I39-F80 HydrophobicContact CD1-CE2 4.25Å; I39-F80 HydrophobicContact CD1-CG 4.42Å; L44-F80 HydrophobicContact CD1-CD2 4.3Å; L44-F80 HydrophobicContact CD1-CE2 4.22Å; A47-F80 HydrophobicContact CB-CE2 4.47Å; L51-F80 HydrophobicContact CD1-CZ 4.2Å; M75-F80 HydrophobicContact CG-CB 4.22Å; M75-F80 HydrophobicContact SD-CB 3.81Å; M75-F80 HydrophobicContact SD-CD2 3.77Å; M75-F80 HydrophobicContact SD-CG 4.3Å; N76-F80 PolarHBondContact O-N 3.38Å; F77-F80 PolarHBondContact O-N 2.96Å; F80-T82 VanDerWaalsContact C-N 3.3Å; F80-T82 PolarHBondContact O-N 3.18Å; F80-V83 PolarHBondContact O-N 2.92Å; F80-M84 HydrophobicContact CD1-CG 4.03Å; F80-M84 HydrophobicContact CE1-CG 3.75Å; F80-M84 HydrophobicContact CE2-CG 4.24Å; F80-M84 HydrophobicContact CE2-SD 4.44Å; F80-M84 HydrophobicContact CG-CG 4.41Å; F80-M84 HydrophobicContact CZ-CG 3.86Å; F80-M84 HydrophobicContact CZ-SD 4.17Å; F80-M84 WeakPolarHBondContact O-CB 3.44Å; F80-M84 VanDerWaalsContact O-CG 3.29Å; F80-M84 WeakPolarHBondContact O-CG 3.49Å; F80-M84 PolarHBondContact O-N 2.99Å
81L83.2Confident79Confident45 Ų4550 Ų5024%0.23628%0.284CS..Hα-helixtrans-59.3-41.9176.2-17765.6000111.5L16 I24 F77 D79 V83 M84 T85L16-L81 HydrophobicContact CD1-CD1 3.77Å; I24-L81 HydrophobicContact CB-CD1 4.4Å; I24-L81 HydrophobicContact CD1-CD1 4.07Å; I24-L81 HydrophobicContact CG2-CD1 3.84Å; F77-L81 VanDerWaalsContact O-CB 3.27Å; F77-L81 WeakPolarHBondContact O-CB 3.46Å; F77-L81 PolarHBondContact O-N 3.04Å; D79-L81 PolarHBondContact O-N 2.94Å; L81-V83 PolarHBondContact O-N 2.66Å; L81-M84 PolarHBondContact O-N 2.79Å; L81-T85 VanDerWaalsContact O-CB 3.31Å; L81-T85 WeakPolarHBondContact O-CB 3.43Å; L81-T85 PolarHBondContact O-N 3.32Å; L81-T85 PolarHBondContact O-OG1 3.45Å
82T81.2Confident78.5Confident86 Ų8650.6 Ų50.653%0.52827%0.273SS..Hα-helixtrans-61.2-45.8177.9-60.20000111.2S78 D79 F80 Q86S78-T82 PolarHBondContact O-N 3.05Å; S78-T82 VanDerWaalsContact O-N 3.1Å; S78-T82 PolarHBondContact O-OG1 3.23Å; D79-T82 WeakPolarHBondContact O-CB 3.41Å; D79-T82 PolarHBondContact O-N 3.24Å; F80-T82 VanDerWaalsContact C-N 3.3Å; F80-T82 PolarHBondContact O-N 3.18Å; T82-Q86 PolarHBondContact O-N 2.88Å; T82-Q86 VanDerWaalsContact O-N 3.09Å
83V78.9Confident78.3Confident10 Ų1049.3 Ų49.36%0.06127%0.265CS..Hα-helixtrans-63-48.7177.4176.70000111.7M63 I67 D79 F80 L81 T85 Q86 K87M63-V83 HydrophobicContact CG-CG1 4.38Å; M63-V83 HydrophobicContact SD-CG1 4.05Å; I67-V83 HydrophobicContact CD1-CG2 3.11Å; I67-V83 HydrophobicContact CG1-CG2 3.77Å; D79-V83 WeakPolarHBondContact O-CG2 3.3Å; D79-V83 PolarHBondContact O-N 3.46Å; F80-V83 PolarHBondContact O-N 2.92Å; L81-V83 PolarHBondContact O-N 2.66Å; V83-T85 VanDerWaalsContact C-N 3.33Å; V83-T85 PolarHBondContact O-N 3.09Å; V83-Q86 PolarHBondContact O-N 2.96Å; V83-K87 HydrophobicContact CG1-CG 4.47Å; V83-K87 WeakPolarHBondContact O-CB 3.46Å; V83-K87 PolarHBondContact O-N 3.11Å
84M77.8Confident78Confident2 Ų252.3 Ų52.31%0.0127%0.271CS..Hα-helixtrans-66.9-37.6-176.3-68-57.8-62.300111.3I24 L51 F53 F80 L81 K87 M88I24-M84 HydrophobicContact CD1-CB 3.76Å; I24-M84 HydrophobicContact CG1-CB 3.93Å; I24-M84 HydrophobicContact CG2-CB 4.08Å; I24-M84 HydrophobicContact CG2-CG 4.22Å; L51-M84 HydrophobicContact CD1-CE 3.32Å; L51-M84 HydrophobicContact CD1-SD 4.11Å; F53-M84 HydrophobicContact CD2-CE 4.33Å; F53-M84 HydrophobicContact CE2-CE 3.67Å; F53-M84 HydrophobicContact CZ-CE 4.28Å; F80-M84 HydrophobicContact CD1-CG 4.03Å; F80-M84 HydrophobicContact CE1-CG 3.75Å; F80-M84 HydrophobicContact CE2-CG 4.24Å; F80-M84 HydrophobicContact CE2-SD 4.44Å; F80-M84 HydrophobicContact CG-CG 4.41Å; F80-M84 HydrophobicContact CZ-CG 3.86Å; F80-M84 HydrophobicContact CZ-SD 4.17Å; F80-M84 WeakPolarHBondContact O-CB 3.44Å; F80-M84 VanDerWaalsContact O-CG 3.29Å; F80-M84 WeakPolarHBondContact O-CG 3.49Å; F80-M84 PolarHBondContact O-N 2.99Å; L81-M84 PolarHBondContact O-N 2.79Å; M84-K87 PolarHBondContact O-N 2.92Å; M84-M88 WeakPolarHBondContact O-CB 3.48Å; M84-M88 WeakPolarHBondContact O-CG 3.22Å; M84-M88 PolarHBondContact O-N 2.83Å
85T79.1Confident77.9Confident33 Ų3351.1 Ų51.120%0.20227%0.267CS..Hα-helixtrans-58.9-49.3172.2-550000111.1L16 L81 V83 K87 M88 S89L16-T85 HydrophobicContact CD1-CG2 4.25Å; L16-T85 WeakPolarHBondContact CD1-OG1 3.45Å; L16-T85 HydrophobicContact CD2-CG2 4.3Å; L16-T85 HydrophobicContact CG-CG2 3.97Å; L81-T85 VanDerWaalsContact O-CB 3.31Å; L81-T85 WeakPolarHBondContact O-CB 3.43Å; L81-T85 PolarHBondContact O-N 3.32Å; L81-T85 PolarHBondContact O-OG1 3.45Å; V83-T85 VanDerWaalsContact C-N 3.33Å; V83-T85 PolarHBondContact O-N 3.09Å; T85-K87 VanDerWaalsContact C-N 3.3Å; T85-K87 PolarHBondContact O-N 3.44Å; T85-M88 PolarHBondContact O-N 3.38Å; T85-S89 PolarHBondContact O-N 2.89Å; T85-S89 PolarHBondContact O-OG 3.45Å
86Q75.7Confident77.7Confident84 Ų8457 Ų5739%0.39329%0.294SS..Hα-helixtrans-62-39.8177.8-177.2178.5-14.700111.5T82 V83 S89 E90T82-Q86 PolarHBondContact O-N 2.88Å; T82-Q86 VanDerWaalsContact O-N 3.09Å; V83-Q86 PolarHBondContact O-N 2.96Å; Q86-S89 WeakPolarHBondContact O-CB 3.48Å; Q86-S89 PolarHBondContact O-N 3.46Å; Q86-E90 PolarHBondContact NE2-OE1 3.49Å; Q86-E90 WeakPolarHBondContact O-CG 3.39Å; Q86-E90 PolarHBondContact O-N 3.33Å
87K72.1Confident77.5Confident27 Ų2754.7 Ų54.712%0.11728%0.282CS..Hα-helixtrans-70.2-38.8-179.9-81.9-69.6172.7-160.20114.3M48 E59 M63 V83 M84 T85 S89 E90 K91M48-K87 HydrophobicContact CE-CD 4.41Å; M48-K87 HydrophobicContact CE-CG 4.25Å; E59-K87 IonicContact OE1-NZ 3.46Å; E59-K87 PolarHBondContact OE1-NZ 2.79Å; M63-K87 HydrophobicContact CE-CD 4.35Å; V83-K87 HydrophobicContact CG1-CG 4.47Å; V83-K87 WeakPolarHBondContact O-CB 3.46Å; V83-K87 PolarHBondContact O-N 3.11Å; M84-K87 PolarHBondContact O-N 2.92Å; T85-K87 VanDerWaalsContact C-N 3.3Å; T85-K87 PolarHBondContact O-N 3.44Å; K87-S89 VanDerWaalsContact C-N 3.31Å; K87-E90 WeakPolarHBondContact CE-OE2 3.5Å; K87-E90 IonicContact NZ-OE2 2.76Å; K87-E90 PolarHBondContact NZ-OE2 2.89Å; K87-E90 PolarHBondContact O-N 3.2Å; K87-K91 WeakPolarHBondContact O-CB 3.21Å; K87-K91 PolarHBondContact O-N 3.29Å
88M70.8Confident77.6Confident31 Ų3154.1 Ų54.115%0.15328%0.281CS..Hα-helixtrans-61.6-45.1171.7-75.4-177.7168.400110.1L16 Q20 I24 M84 T85 E90 K91 D92L16-M88 HydrophobicContact CD2-CB 4.46Å; L16-M88 HydrophobicContact CD2-SD 3.63Å; Q20-M88 HydrophobicContact CB-SD 4.3Å; Q20-M88 HydrophobicContact CG-SD 4.28Å; I24-M88 HydrophobicContact CD1-CE 4.06Å; I24-M88 HydrophobicContact CD1-SD 3.99Å; I24-M88 HydrophobicContact CG1-CE 4.05Å; M84-M88 WeakPolarHBondContact O-CB 3.48Å; M84-M88 WeakPolarHBondContact O-CG 3.22Å; M84-M88 PolarHBondContact O-N 2.83Å; T85-M88 PolarHBondContact O-N 3.38Å; M88-E90 PolarHBondContact O-N 3.1Å; M88-K91 WeakPolarHBondContact O-CB 3.14Å; M88-K91 PolarHBondContact O-N 3.17Å; M88-K91 VanDerWaalsContact O-N 3.11Å; M88-D92 VanDerWaalsContact O-CG 3.26Å; M88-D92 PolarHBondContact O-N 2.93Å
89S71.3Confident77.8Confident26 Ų2656.8 Ų56.818%0.18228%0.282CS..Hα-helixtrans-58.8-46.2175.6-48.60000112.5P14 T85 Q86 K87 K91 D92 T93P14-S89 WeakPolarHBondContact CG-OG 3.28Å; T85-S89 PolarHBondContact O-N 2.89Å; T85-S89 PolarHBondContact O-OG 3.45Å; Q86-S89 WeakPolarHBondContact O-CB 3.48Å; Q86-S89 PolarHBondContact O-N 3.46Å; K87-S89 VanDerWaalsContact C-N 3.31Å; S89-K91 VanDerWaalsContact C-N 3.31Å; S89-K91 PolarHBondContact O-N 2.93Å; S89-D92 PolarHBondContact O-N 2.76Å; S89-T93 WeakPolarHBondContact O-CB 3.42Å; S89-T93 PolarHBondContact O-N 2.94Å; S89-T93 PolarHBondContact O-OG1 3.08Å
90E68.6Low77.9Confident76 Ų7656 Ų5636%0.35528%0.282SS..Hα-helixtrans-63.2-36.1176.3-75.3176-174.700112.5Q86 K87 M88 K94Q86-E90 PolarHBondContact NE2-OE1 3.49Å; Q86-E90 WeakPolarHBondContact O-CG 3.39Å; Q86-E90 PolarHBondContact O-N 3.33Å; K87-E90 WeakPolarHBondContact CE-OE2 3.5Å; K87-E90 IonicContact NZ-OE2 2.76Å; K87-E90 PolarHBondContact NZ-OE2 2.89Å; K87-E90 PolarHBondContact O-N 3.2Å; M88-E90 PolarHBondContact O-N 3.1Å; E90-K94 WeakPolarHBondContact O-CB 3.3Å; E90-K94 PolarHBondContact O-N 3.34Å
91K67.9Low78.5Confident104 Ų10456.4 Ų56.445%0.45229%0.285SS..Hα-helixtrans-69.4-46.6177.1-175.3-176.7172.7-169.40110.7F53 K87 M88 S89 T93 K94 E95F53-K91 HydrophobicContact CE1-CD 4.06Å; K87-K91 WeakPolarHBondContact O-CB 3.21Å; K87-K91 PolarHBondContact O-N 3.29Å; M88-K91 WeakPolarHBondContact O-CB 3.14Å; M88-K91 PolarHBondContact O-N 3.17Å; M88-K91 VanDerWaalsContact O-N 3.11Å; S89-K91 VanDerWaalsContact C-N 3.31Å; S89-K91 PolarHBondContact O-N 2.93Å; K91-T93 VanDerWaalsContact C-N 3.33Å; K91-T93 PolarHBondContact O-N 3.23Å; K91-K94 WeakPolarHBondContact O-CB 3.47Å; K91-K94 PolarHBondContact O-N 3Å; K91-K94 VanDerWaalsContact O-N 3.1Å; K91-E95 VanDerWaalsContact CE-OE1 3.3Å; K91-E95 WeakPolarHBondContact CE-OE1 3.39Å; K91-E95 WeakPolarHBondContact O-CG 3.3Å; K91-E95 PolarHBondContact O-N 3.42Å
92D70.3Confident78.8Confident76 Ų7661.8 Ų61.841%0.40631%0.306SS..Hα-helixtrans-59.8-46.4176.8-66.3-20.2000110.1M88 S89 K94 E95 E96M88-D92 VanDerWaalsContact O-CG 3.26Å; M88-D92 PolarHBondContact O-N 2.93Å; S89-D92 PolarHBondContact O-N 2.76Å; D92-K94 VanDerWaalsContact C-N 3.33Å; D92-K94 PolarHBondContact O-N 2.67Å; D92-E95 PolarHBondContact O-N 2.97Å; D92-E96 WeakPolarHBondContact O-CG 3.32Å; D92-E96 PolarHBondContact O-N 2.92Å
93T75.9Confident79.2Confident55 Ų5563.8 Ų63.834%0.33731%0.313SS..Hα-helixtrans-60.5-41174.1-56.30000111.9S89 K91 E96 I97S89-T93 WeakPolarHBondContact O-CB 3.42Å; S89-T93 PolarHBondContact O-N 2.94Å; S89-T93 PolarHBondContact O-OG1 3.08Å; K91-T93 VanDerWaalsContact C-N 3.33Å; K91-T93 PolarHBondContact O-N 3.23Å; T93-E96 PolarHBondContact O-N 3.32Å; T93-I97 HydrophobicContact CG2-CD1 3.9Å; T93-I97 HydrophobicContact CG2-CG1 4.49Å; T93-I97 WeakPolarHBondContact O-CD1 3.18Å; T93-I97 WeakPolarHBondContact O-CG1 3.38Å; T93-I97 PolarHBondContact O-N 2.95Å
94K76.3Confident79.9Confident88 Ų8865 Ų6538%0.38332%0.317SS..Hα-helixtrans-61.9-48175.5-173.2-171.3178.3-165.10110.5E90 K91 D92 E96 I97 L98 L154E90-K94 WeakPolarHBondContact O-CB 3.3Å; E90-K94 PolarHBondContact O-N 3.34Å; K91-K94 WeakPolarHBondContact O-CB 3.47Å; K91-K94 PolarHBondContact O-N 3Å; K91-K94 VanDerWaalsContact O-N 3.1Å; D92-K94 VanDerWaalsContact C-N 3.33Å; D92-K94 PolarHBondContact O-N 2.67Å; K94-E96 VanDerWaalsContact C-N 3.31Å; K94-E96 PolarHBondContact O-N 3.04Å; K94-I97 PolarHBondContact O-N 3.4Å; K94-L98 HydrophobicContact CG-CD1 4.34Å; K94-L98 HydrophobicContact CG-CG 4.37Å; K94-L98 VanDerWaalsContact O-CG 3.3Å; K94-L98 WeakPolarHBondContact O-CG 3.45Å; K94-L98 PolarHBondContact O-N 3.21Å; K94-L154 HydrophobicContact CG-CD1 4.46Å; K94-L154 HydrophobicContact CG-CD2 3.87Å
95E80.3Confident80.7Confident84 Ų8465.5 Ų65.539%0.39332%0.32SS..Hα-helixtrans-61.7-38.7179.7-73.4-173.9-177.400112.1K91 D92 L98 K99K91-E95 VanDerWaalsContact CE-OE1 3.3Å; K91-E95 WeakPolarHBondContact CE-OE1 3.39Å; K91-E95 WeakPolarHBondContact O-CG 3.3Å; K91-E95 PolarHBondContact O-N 3.42Å; D92-E95 PolarHBondContact O-N 2.97Å; E95-L98 PolarHBondContact O-N 3.27Å; E95-K99 VanDerWaalsContact O-CG 3.3Å; E95-K99 WeakPolarHBondContact O-CG 3.46Å; E95-K99 PolarHBondContact O-N 3.24Å
96E81.8Confident81.3Confident126 Ų12667.9 Ų67.959%0.58933%0.331SS*.Hα-helixtrans-63.5-44.9172.8-72.5-175.9132.500112.2D92 T93 K94 L98 K99 A100D92-E96 WeakPolarHBondContact O-CG 3.32Å; D92-E96 PolarHBondContact O-N 2.92Å; T93-E96 PolarHBondContact O-N 3.32Å; K94-E96 VanDerWaalsContact C-N 3.31Å; K94-E96 PolarHBondContact O-N 3.04Å; E96-L98 VanDerWaalsContact C-N 3.31Å; E96-L98 PolarHBondContact O-N 2.86Å; E96-K99 WeakPolarHBondContact O-CB 3.42Å; E96-K99 PolarHBondContact O-N 3.47Å; E96-A100 PolarHBondContact O-N 2.91Å
97I84.5Confident82.1Confident17 Ų1767.2 Ų67.29%0.08733%0.33CS..Hα-helixtrans-62.9-39.6175.8-66163.7000110.9T93 K94 A100 F101 F153 L154 M157T93-I97 HydrophobicContact CG2-CD1 3.9Å; T93-I97 HydrophobicContact CG2-CG1 4.49Å; T93-I97 WeakPolarHBondContact O-CD1 3.18Å; T93-I97 WeakPolarHBondContact O-CG1 3.38Å; T93-I97 PolarHBondContact O-N 2.95Å; K94-I97 PolarHBondContact O-N 3.4Å; I97-A100 WeakPolarHBondContact O-CB 3.35Å; I97-A100 PolarHBondContact O-N 3.42Å; I97-F101 PolarHBondContact O-N 3.34Å; I97-F153 HydrophobicContact CG2-CD1 3.73Å; I97-F153 HydrophobicContact CG2-CE1 3.8Å; I97-L154 HydrophobicContact CB-CD2 3.91Å; I97-L154 HydrophobicContact CD1-CD2 4.2Å; I97-L154 HydrophobicContact CG2-CD2 3.58Å; I97-L154 HydrophobicContact CG2-CG 4.27Å; I97-M157 HydrophobicContact CD1-CB 3.88Å; I97-M157 HydrophobicContact CG1-CB 4.05Å; I97-M157 HydrophobicContact CG2-CB 3.9Å; I97-M157 HydrophobicContact CG2-CG 3.88Å
98L86.3Confident83.1Confident40 Ų4074.3 Ų74.321%0.20936%0.364CS..Hα-helixtrans-67.7-36.1176.7-68.8-175.9000112.5K94 E95 E96 A100 F101 K102 E150 L154K94-L98 HydrophobicContact CG-CD1 4.34Å; K94-L98 HydrophobicContact CG-CG 4.37Å; K94-L98 VanDerWaalsContact O-CG 3.3Å; K94-L98 WeakPolarHBondContact O-CG 3.45Å; K94-L98 PolarHBondContact O-N 3.21Å; E95-L98 PolarHBondContact O-N 3.27Å; E96-L98 VanDerWaalsContact C-N 3.31Å; E96-L98 PolarHBondContact O-N 2.86Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-F101 WeakPolarHBondContact O-CB 3.37Å; L98-F101 PolarHBondContact O-N 3.01Å; L98-K102 WeakPolarHBondContact O-CG 3.45Å; L98-K102 PolarHBondContact O-N 3.26Å; L98-K102 VanDerWaalsContact O-N 3.14Å; L98-E150 HydrophobicContact CD2-CG 3.27Å; L98-E150 WeakPolarHBondContact CD2-OE1 3.41Å; L98-L154 HydrophobicContact CD2-CD1 4.24Å; L98-L154 HydrophobicContact CD2-CG 4.41Å
99K87.1Confident84.2Confident134 Ų13476.4 Ų76.458%0.58338%0.379SS*.Hα-helixtrans-62.6-42.6171.2-74169.2-174.51690110.6E95 E96 K102 L103E95-K99 VanDerWaalsContact O-CG 3.3Å; E95-K99 WeakPolarHBondContact O-CG 3.46Å; E95-K99 PolarHBondContact O-N 3.24Å; E96-K99 WeakPolarHBondContact O-CB 3.42Å; E96-K99 PolarHBondContact O-N 3.47Å; K99-K102 PolarHBondContact O-N 3.3Å; K99-L103 PolarHBondContact O-N 3.31Å
100A87.1Confident85.3Confident31 Ų3177.1 Ų77.126%0.25639%0.39SS..Hα-helixtrans-62.3-45.1174.600000111.5E96 I97 L98 K102 L103 F104 F153E96-A100 PolarHBondContact O-N 2.91Å; I97-A100 WeakPolarHBondContact O-CB 3.35Å; I97-A100 PolarHBondContact O-N 3.42Å; L98-A100 VanDerWaalsContact C-N 3.32Å; A100-K102 VanDerWaalsContact C-N 3.26Å; A100-K102 PolarHBondContact O-N 3.43Å; A100-L103 WeakPolarHBondContact O-CA 3.48Å; A100-L103 VanDerWaalsContact O-CB 3.31Å; A100-L103 WeakPolarHBondContact O-CB 3.46Å; A100-L103 PolarHBondContact O-N 3.12Å; A100-F104 VanDerWaalsContact O-CD2 3.31Å; A100-F104 WeakPolarHBondContact O-CD2 3.27Å; A100-F104 PolarHBondContact O-N 3.4Å; A100-F153 HydrophobicContact CB-CE1 4.43Å
101F91.9Very high86.6Confident10 Ų1076.5 Ų76.54%0.04439%0.386CS..Hα-helixtrans-52.1-45.7176.5-179.1-90.7000111.9I97 L98 L103 F104 D105 G110 I112 F153I97-F101 PolarHBondContact O-N 3.34Å; L98-F101 WeakPolarHBondContact O-CB 3.37Å; L98-F101 PolarHBondContact O-N 3.01Å; F101-L103 PolarHBondContact O-N 2.8Å; F101-F104 WeakPolarHBondContact O-CA 3.42Å; F101-F104 WeakPolarHBondContact O-CB 3.4Å; F101-F104 PolarHBondContact O-N 3.21Å; F101-D105 HydrophobicContact CD1-CB 4.5Å; F101-D105 HydrophobicContact CE1-CB 4.07Å; F101-D105 PolarHBondContact O-N 3.46Å; F101-G110 WeakPolarHBondContact CZ-O 3.42Å; F101-I112 HydrophobicContact CD2-CD1 3.5Å; F101-I112 VanDerWaalsContact CD2-CD1 3.5Å; F101-I112 HydrophobicContact CD2-CG1 3.93Å; F101-I112 HydrophobicContact CE2-CD1 3.61Å; F101-I112 HydrophobicContact CE2-CG1 3.59Å; F101-I112 HydrophobicContact CG-CD1 4.38Å; F101-I112 HydrophobicContact CZ-CG1 4.1Å; F101-F153 HydrophobicContact CB-CD1 3.84Å; F101-F153 HydrophobicContact CB-CE1 3.86Å; F101-F153 HydrophobicContact CD2-CB 3.64Å; F101-F153 AromaticContact CD2-CD1 3.71Å; F101-F153 HydrophobicContact CD2-CD1 3.71Å; F101-F153 HydrophobicContact CD2-CD2 4.29Å; F101-F153 HydrophobicContact CD2-CE1 4.35Å; F101-F153 AromaticContact CD2-CG 3.64Å; F101-F153 HydrophobicContact CD2-CG 3.64Å; F101-F153 HydrophobicContact CE2-CB 4Å; F101-F153 HydrophobicContact CE2-CG 4.39Å; F101-F153 HydrophobicContact CG-CD1 4.28Å
102K91.3Very high87.9Confident158 Ų15871.7 Ų71.769%0.68737%0.365SS*.Hα-helixtrans-65.7-20.9177-68.5-174.9179.2-164.70114.5L98 K99 A100 F104L98-K102 WeakPolarHBondContact O-CG 3.45Å; L98-K102 PolarHBondContact O-N 3.26Å; L98-K102 VanDerWaalsContact O-N 3.14Å; K99-K102 PolarHBondContact O-N 3.3Å; A100-K102 VanDerWaalsContact C-N 3.26Å; A100-K102 PolarHBondContact O-N 3.43Å; K102-F104 VanDerWaalsContact C-N 3.34Å
103L89.5Confident89.2Confident127 Ų12768.9 Ų68.967%0.66535%0.352SS*.Hα-helixtrans-76.2-25.9171.9-63.4173.4000111.9K99 A100 F101 R119K99-L103 PolarHBondContact O-N 3.31Å; A100-L103 WeakPolarHBondContact O-CA 3.48Å; A100-L103 VanDerWaalsContact O-CB 3.31Å; A100-L103 WeakPolarHBondContact O-CB 3.46Å; A100-L103 PolarHBondContact O-N 3.12Å; F101-L103 PolarHBondContact O-N 2.8Å; L103-R119 PolarHBondContact O-NH2 3.36Å
104F92.3Very high90.1Very high35 Ų3569 Ų6915%0.15435%0.347CS..Hα-helixtrans-78.9-55.5172.1-73.3-96.4000110.8A100 F101 K102 D106 I112 N116 L117 R119 V120 F153A100-F104 VanDerWaalsContact O-CD2 3.31Å; A100-F104 WeakPolarHBondContact O-CD2 3.27Å; A100-F104 PolarHBondContact O-N 3.4Å; F101-F104 WeakPolarHBondContact O-CA 3.42Å; F101-F104 WeakPolarHBondContact O-CB 3.4Å; F101-F104 PolarHBondContact O-N 3.21Å; K102-F104 VanDerWaalsContact C-N 3.34Å; F104-D106 VanDerWaalsContact C-N 3.29Å; F104-D106 PolarHBondContact O-N 2.86Å; F104-I112 HydrophobicContact CB-CD1 3.56Å; F104-I112 HydrophobicContact CB-CG1 3.67Å; F104-I112 HydrophobicContact CB-CG2 4.1Å; F104-I112 HydrophobicContact CD1-CG2 4.35Å; F104-I112 HydrophobicContact CD2-CD1 4.45Å; F104-I112 HydrophobicContact CG-CD1 3.97Å; F104-N116 VanDerWaalsContact O-CB 3.27Å; F104-N116 WeakPolarHBondContact O-CB 3.46Å; F104-N116 PolarHBondContact O-ND2 2.97Å; F104-L117 HydrophobicContact CD1-CD1 4.12Å; F104-L117 HydrophobicContact CE1-CD1 3.75Å; F104-R119 PolarHBondContact O-NH2 2.85Å; F104-V120 HydrophobicContact CB-CG2 4.48Å; F104-V120 HydrophobicContact CD1-CB 3.84Å; F104-V120 HydrophobicContact CD1-CG1 4.01Å; F104-V120 HydrophobicContact CD1-CG2 3.65Å; F104-V120 HydrophobicContact CE1-CB 3.73Å; F104-V120 HydrophobicContact CE1-CG1 3.49Å; F104-V120 VanDerWaalsContact CE1-CG1 3.49Å; F104-V120 HydrophobicContact CE1-CG2 4.03Å; F104-V120 HydrophobicContact CE2-CG1 4.48Å; F104-V120 HydrophobicContact CG-CG2 4.08Å; F104-V120 HydrophobicContact CZ-CB 4.48Å; F104-V120 HydrophobicContact CZ-CG1 3.76Å; F104-F153 HydrophobicContact CD2-CE2 4.16Å; F104-F153 AromaticContact CD2-CZ 3.91Å; F104-F153 HydrophobicContact CD2-CZ 3.91Å; F104-F153 HydrophobicContact CE2-CE2 4.21Å; F104-F153 AromaticContact CE2-CZ 3.91Å; F104-F153 HydrophobicContact CE2-CZ 3.91Å
105D94.7Very high91.1Very high13 Ų1371.2 Ų71.27%0.0736%0.357CS..  trans-77.468.4-178.8-179.231.8000112.3F101 D107 E108 T109 G110 K111F101-D105 HydrophobicContact CD1-CB 4.5Å; F101-D105 HydrophobicContact CE1-CB 4.07Å; F101-D105 PolarHBondContact O-N 3.46Å; D105-D107 VanDerWaalsContact C-N 3.27Å; D105-D107 PolarHBondContact O-N 3.43Å; D105-E108 PolarHBondContact O-N 2.82Å; D105-E108 PolarHBondContact OD1-N 2.87Å; D105-T109 PolarHBondContact OD1-N 3.4Å; D105-T109 PolarHBondContact OD1-OG1 2.9Å; D105-T109 PolarHBondContact OD2-N 3.25Å; D105-G110 VanDerWaalsContact OD2-CA 3.29Å; D105-G110 WeakPolarHBondContact OD2-CA 3.42Å; D105-G110 PolarHBondContact OD2-N 2.88Å; D105-K111 VanDerWaalsContact CG-O 3.31Å; D105-K111 VanDerWaalsContact OD1-O 3.13Å
106D91.2Very high91.8Very high83 Ų8367.2 Ų67.244%0.44434%0.339SS..THydrogen-bonded Turntrans-71.5-18.2-178.260.4-66.5000114.4F104 N116 R119F104-D106 VanDerWaalsContact C-N 3.29Å; F104-D106 PolarHBondContact O-N 2.86Å; D106-N116 PolarHBondContact OD1-ND2 3.04Å; D106-R119 IonicContact OD1-CZ 2.8Å; D106-R119 VanDerWaalsContact OD1-CZ 3.32Å; D106-R119 IonicContact OD1-NE 3.65Å; D106-R119 PolarHBondContact OD1-NE 3Å; D106-R119 IonicContact OD1-NH2 2.91Å; D106-R119 PolarHBondContact OD1-NH2 3.4Å; D106-R119 IonicContact OD2-CZ 3.83Å; D106-R119 IonicContact OD2-NE 3.68Å; D106-R119 PolarHBondContact OD2-NE 3.45Å
107D92.7Very high92.3Very high70 Ų7062.1 Ų62.137%0.37432%0.315SS..THydrogen-bonded Turntrans-94.78.4174.744.30.8000113.9D105 T109 K115 N116D105-D107 VanDerWaalsContact C-N 3.27Å; D105-D107 PolarHBondContact O-N 3.43Å; D107-T109 HydrophobicContact CB-CG2 4.21Å; D107-T109 PolarHBondContact O-N 3.47Å; D107-K115 IonicContact OD2-NZ 3.32Å; D107-N116 PolarHBondContact OD1-ND2 3.03Å
108E92.8Very high92.8Very high177 Ų17763.8 Ų63.883%0.82732%0.322SS*.  trans53.337172.8-57.7-171.9105.600113.7D105 G110D105-E108 PolarHBondContact O-N 2.82Å; D105-E108 PolarHBondContact OD1-N 2.87Å; E108-G110 VanDerWaalsContact C-N 3.25Å; E108-G110 PolarHBondContact O-N 3.25Å
109T94.4Very high93.2Very high75 Ų7564.8 Ų64.846%0.4632%0.323SS..  trans-76.8-16.6179.867.20000112.4D105 D107 K111D105-T109 PolarHBondContact OD1-N 3.4Å; D105-T109 PolarHBondContact OD1-OG1 2.9Å; D105-T109 PolarHBondContact OD2-N 3.25Å; D107-T109 HydrophobicContact CB-CG2 4.21Å; D107-T109 PolarHBondContact O-N 3.47Å; T109-K111 VanDerWaalsContact C-N 3.31Å; T109-K111 PolarHBondContact OG1-N 3.36Å; T109-K111 PolarHBondContact OG1-O 3.04Å
110G93.8Very high93.5Very high40 Ų4059 Ų5941%0.41230%0.299SS..SBendtrans82.87.6-171.100000113.4F101 D105 E108F101-G110 WeakPolarHBondContact CZ-O 3.42Å; D105-G110 VanDerWaalsContact OD2-CA 3.29Å; D105-G110 WeakPolarHBondContact OD2-CA 3.42Å; D105-G110 PolarHBondContact OD2-N 2.88Å; E108-G110 VanDerWaalsContact C-N 3.25Å; E108-G110 PolarHBondContact O-N 3.25Å
111K96.4Very high93.6Very high63 Ų6358 Ų5827%0.27429%0.29SS..EExtended strand (participates in β ladder)trans-144.4154.5-177.9-61.2-177.6-175.8-178.90110.9D105 T109 D145 E147 V148 N149D105-K111 VanDerWaalsContact CG-O 3.31Å; D105-K111 VanDerWaalsContact OD1-O 3.13Å; T109-K111 VanDerWaalsContact C-N 3.31Å; T109-K111 PolarHBondContact OG1-N 3.36Å; T109-K111 PolarHBondContact OG1-O 3.04Å; K111-D145 WeakPolarHBondContact CE-OD2 3.25Å; K111-D145 IonicContact NZ-OD2 2.67Å; K111-D145 PolarHBondContact NZ-OD2 3.34Å; K111-E147 HydrophobicContact CB-CB 4.02Å; K111-E147 HydrophobicContact CD-CB 3.97Å; K111-E147 WeakPolarHBondContact CD-OE2 3.29Å; K111-E147 IonicContact NZ-OE2 2.58Å; K111-V148 CarbonylContact C-O 3.58Å; K111-V148 WeakPolarHBondContact CA-O 3.43Å; K111-N149 HydrophobicContact CG-CB 4.37Å
112I96.3Very high93.6Very high4 Ų464.6 Ų64.62%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-98.1108.3173.4-59.9169000107.7F101 F104 N116 L117 V148 F153F101-I112 HydrophobicContact CD2-CD1 3.5Å; F101-I112 VanDerWaalsContact CD2-CD1 3.5Å; F101-I112 HydrophobicContact CD2-CG1 3.93Å; F101-I112 HydrophobicContact CE2-CD1 3.61Å; F101-I112 HydrophobicContact CE2-CG1 3.59Å; F101-I112 HydrophobicContact CG-CD1 4.38Å; F101-I112 HydrophobicContact CZ-CG1 4.1Å; F104-I112 HydrophobicContact CB-CD1 3.56Å; F104-I112 HydrophobicContact CB-CG1 3.67Å; F104-I112 HydrophobicContact CB-CG2 4.1Å; F104-I112 HydrophobicContact CD1-CG2 4.35Å; F104-I112 HydrophobicContact CD2-CD1 4.45Å; F104-I112 HydrophobicContact CG-CD1 3.97Å; I112-N116 HydrophobicContact CG2-CB 4.01Å; I112-L117 HydrophobicContact CG2-CB 4.3Å; I112-V148 HydrophobicContact CB-CB 4.22Å; I112-V148 PolarHBondContact N-O 2.82Å; I112-V148 PolarHBondContact O-N 2.92Å; I112-F153 HydrophobicContact CD1-CB 4.48Å; I112-F153 HydrophobicContact CD1-CD2 3.34Å; I112-F153 HydrophobicContact CD1-CE2 3.51Å; I112-F153 HydrophobicContact CD1-CG 3.97Å; I112-F153 HydrophobicContact CD1-CZ 4.26Å
113S96.4Very high93.5Very high17 Ų1763.3 Ų63.312%0.11932%0.315CS..  trans-80.8165.9173.173.40000111.6K115 N116 L117 E147S113-K115 PolarHBondContact O-N 3.37Å; S113-K115 PolarHBondContact OG-N 2.81Å; S113-N116 WeakPolarHBondContact CB-OD1 3.41Å; S113-N116 PolarHBondContact N-OD1 2.86Å; S113-N116 WeakPolarHBondContact O-CB 3.47Å; S113-N116 PolarHBondContact O-N 3.06Å; S113-N116 PolarHBondContact OG-N 3.09Å; S113-N116 PolarHBondContact OG-OD1 3.08Å; S113-L117 PolarHBondContact O-N 3.3Å; S113-E147 WeakPolarHBondContact CB-OE1 3.42Å
114F95.9Very high93.3Very high56 Ų5663.1 Ų63.125%0.24632%0.315CS..Hα-helixtrans-51.7-38169.5-178.5-90.9000112.6L117 K118 D130 L133 Q134F114-L117 PolarHBondContact O-N 3.45Å; F114-K118 HydrophobicContact CD1-CD 4.46Å; F114-K118 HydrophobicContact CE1-CB 4.44Å; F114-K118 HydrophobicContact CE1-CD 3.67Å; F114-K118 HydrophobicContact CZ-CD 4.22Å; F114-K118 WeakPolarHBondContact O-CB 3.44Å; F114-K118 PolarHBondContact O-N 3.05Å; F114-D130 WeakPolarHBondContact CE2-O 3.37Å; F114-D130 HydrophobicContact CZ-CB 3.9Å; F114-L133 HydrophobicContact CD2-CB 4.3Å; F114-L133 HydrophobicContact CE2-CB 3.62Å; F114-L133 HydrophobicContact CZ-CB 4.17Å; F114-L133 HydrophobicContact CZ-CD1 4.45Å; F114-Q134 HydrophobicContact CE2-CB 4.19Å
115K95.8Very high93.1Very high135 Ų13564.2 Ų64.259%0.58734%0.336SS*.Hα-helixtrans-64.6-44.3178.2177.7-168.3161.6-1460111.2D107 S113 R119D107-K115 IonicContact OD2-NZ 3.32Å; S113-K115 PolarHBondContact O-N 3.37Å; S113-K115 PolarHBondContact OG-N 2.81Å; K115-R119 WeakPolarHBondContact O-CB 3.26Å; K115-R119 PolarHBondContact O-N 3.32Å
116N95.3Very high92.8Very high1 Ų169 Ų691%0.00536%0.358CS..Hα-helixtrans-61.7-49.1177.1-60.8116.6000110.5F104 D106 D107 I112 S113 K118 R119 V120F104-N116 VanDerWaalsContact O-CB 3.27Å; F104-N116 WeakPolarHBondContact O-CB 3.46Å; F104-N116 PolarHBondContact O-ND2 2.97Å; D106-N116 PolarHBondContact OD1-ND2 3.04Å; D107-N116 PolarHBondContact OD1-ND2 3.03Å; I112-N116 HydrophobicContact CG2-CB 4.01Å; S113-N116 WeakPolarHBondContact CB-OD1 3.41Å; S113-N116 PolarHBondContact N-OD1 2.86Å; S113-N116 WeakPolarHBondContact O-CB 3.47Å; S113-N116 PolarHBondContact O-N 3.06Å; S113-N116 PolarHBondContact OG-N 3.09Å; S113-N116 PolarHBondContact OG-OD1 3.08Å; N116-K118 PolarHBondContact O-N 3.21Å; N116-R119 WeakPolarHBondContact O-CB 3.37Å; N116-R119 PolarHBondContact O-N 3.06Å; N116-V120 WeakPolarHBondContact O-CG2 3.46Å; N116-V120 PolarHBondContact O-N 2.66Å
117L93.8Very high92.6Very high18 Ų1872.9 Ų72.99%0.09438%0.378CS..Hα-helixtrans-61.7-44.2-179.7-173.161.6000111.9F104 I112 S113 F114 R119 V120 A121 L133 M136 I137F104-L117 HydrophobicContact CD1-CD1 4.12Å; F104-L117 HydrophobicContact CE1-CD1 3.75Å; I112-L117 HydrophobicContact CG2-CB 4.3Å; S113-L117 PolarHBondContact O-N 3.3Å; F114-L117 PolarHBondContact O-N 3.45Å; L117-R119 VanDerWaalsContact C-N 3.35Å; L117-R119 PolarHBondContact O-N 3.5Å; L117-V120 PolarHBondContact O-N 2.87Å; L117-A121 WeakPolarHBondContact O-CB 3.23Å; L117-A121 PolarHBondContact O-N 2.7Å; L117-L133 HydrophobicContact CD2-CD2 4.18Å; L117-L133 HydrophobicContact CG-CD2 3.98Å; L117-M136 HydrophobicContact CD1-CE 4.35Å; L117-M136 HydrophobicContact CD2-CB 3.91Å; L117-M136 HydrophobicContact CD2-CE 4.48Å; L117-M136 HydrophobicContact CD2-SD 4.41Å; L117-I137 HydrophobicContact CB-CD1 4.41Å; L117-I137 HydrophobicContact CD2-CD1 3.78Å; L117-I137 HydrophobicContact CD2-CG1 3.93Å
118K94.2Very high92.5Very high53 Ų5372.4 Ų72.423%0.2338%0.375CS..Hα-helixtrans-63.6-36.9176.6-174.7165.6-179.8168.50112.9F114 N116 K122 D130 L133F114-K118 HydrophobicContact CD1-CD 4.46Å; F114-K118 HydrophobicContact CE1-CB 4.44Å; F114-K118 HydrophobicContact CE1-CD 3.67Å; F114-K118 HydrophobicContact CZ-CD 4.22Å; F114-K118 WeakPolarHBondContact O-CB 3.44Å; F114-K118 PolarHBondContact O-N 3.05Å; N116-K118 PolarHBondContact O-N 3.21Å; K118-K122 WeakPolarHBondContact O-CG 3.14Å; K118-K122 PolarHBondContact O-N 3.38Å; K118-D130 WeakPolarHBondContact CE-OD1 3.46Å; K118-D130 IonicContact NZ-OD1 2.77Å; K118-D130 PolarHBondContact NZ-OD1 3.25Å; K118-D130 IonicContact NZ-OD2 2.95Å; K118-D130 PolarHBondContact NZ-OD2 3.23Å; K118-L133 HydrophobicContact CB-CD1 3.84Å; K118-L133 HydrophobicContact CD-CD1 4.29Å; K118-L133 HydrophobicContact CG-CD1 3.85Å
119R94.8Very high92.6Very high60 Ų6067.1 Ų67.123%0.22636%0.356CS..Hα-helixtrans-62.4-53174.2178.9-174.663.572.92.7110L103 F104 D106 K115 N116 L117 A121 K122 E123L103-R119 PolarHBondContact O-NH2 3.36Å; F104-R119 PolarHBondContact O-NH2 2.85Å; D106-R119 IonicContact OD1-CZ 2.8Å; D106-R119 VanDerWaalsContact OD1-CZ 3.32Å; D106-R119 IonicContact OD1-NE 3.65Å; D106-R119 PolarHBondContact OD1-NE 3Å; D106-R119 IonicContact OD1-NH2 2.91Å; D106-R119 PolarHBondContact OD1-NH2 3.4Å; D106-R119 IonicContact OD2-CZ 3.83Å; D106-R119 IonicContact OD2-NE 3.68Å; D106-R119 PolarHBondContact OD2-NE 3.45Å; K115-R119 WeakPolarHBondContact O-CB 3.26Å; K115-R119 PolarHBondContact O-N 3.32Å; N116-R119 WeakPolarHBondContact O-CB 3.37Å; N116-R119 PolarHBondContact O-N 3.06Å; L117-R119 VanDerWaalsContact C-N 3.35Å; L117-R119 PolarHBondContact O-N 3.5Å; R119-A121 PolarHBondContact O-N 2.92Å; R119-K122 WeakPolarHBondContact O-CB 3.43Å; R119-K122 PolarHBondContact O-N 3.38Å; R119-E123 WeakPolarHBondContact CG-OE1 3.19Å; R119-E123 IonicContact CZ-OE1 3.31Å; R119-E123 IonicContact NH1-OE1 3.93Å; R119-E123 PolarHBondContact NH1-OE1 3.17Å; R119-E123 IonicContact NH1-OE2 2.9Å; R119-E123 PolarHBondContact NH1-OE2 3.09Å; R119-E123 WeakPolarHBondContact O-CG 3.13Å; R119-E123 PolarHBondContact O-N 3.38Å
120V92.1Very high92.6Very high14 Ų1467.4 Ų67.49%0.08535%0.354CS..Hα-helixtrans-62.7-42.4-178.1176.40000111.6F104 N116 L117 K122 E123 L124F104-V120 HydrophobicContact CB-CG2 4.48Å; F104-V120 HydrophobicContact CD1-CB 3.84Å; F104-V120 HydrophobicContact CD1-CG1 4.01Å; F104-V120 HydrophobicContact CD1-CG2 3.65Å; F104-V120 HydrophobicContact CE1-CB 3.73Å; F104-V120 HydrophobicContact CE1-CG1 3.49Å; F104-V120 VanDerWaalsContact CE1-CG1 3.49Å; F104-V120 HydrophobicContact CE1-CG2 4.03Å; F104-V120 HydrophobicContact CE2-CG1 4.48Å; F104-V120 HydrophobicContact CG-CG2 4.08Å; F104-V120 HydrophobicContact CZ-CB 4.48Å; F104-V120 HydrophobicContact CZ-CG1 3.76Å; N116-V120 WeakPolarHBondContact O-CG2 3.46Å; N116-V120 PolarHBondContact O-N 2.66Å; L117-V120 PolarHBondContact O-N 2.87Å; V120-K122 VanDerWaalsContact C-N 3.29Å; V120-K122 PolarHBondContact O-N 3.3Å; V120-E123 PolarHBondContact O-N 3.42Å; V120-E123 VanDerWaalsContact O-N 3.14Å; V120-L124 HydrophobicContact CG1-CD1 3.8Å; V120-L124 HydrophobicContact CG1-CG 4.19Å; V120-L124 WeakPolarHBondContact O-CG 2.82Å; V120-L124 PolarHBondContact O-N 3.1Å
121A90.8Very high92.6Very high9 Ų972.8 Ų72.87%0.07437%0.368CS..Hα-helixtrans-56.2-43.5175.700000112L117 R119 L124 G125 E126 L128 L133L117-A121 WeakPolarHBondContact O-CB 3.23Å; L117-A121 PolarHBondContact O-N 2.7Å; R119-A121 PolarHBondContact O-N 2.92Å; A121-L124 PolarHBondContact O-N 3.2Å; A121-G125 PolarHBondContact O-N 2.77Å; A121-E126 HydrophobicContact CB-CB 4.47Å; A121-E126 PolarHBondContact O-N 3.45Å; A121-L128 HydrophobicContact CB-CD1 4.41Å; A121-L133 HydrophobicContact CB-CD2 3.97Å
122K91Very high92.4Very high149 Ų14973.7 Ų73.765%0.64837%0.374SS*.Hα-helixtrans-66.3-41.3175.3-73.4179.3178.4-174.40113.2K118 R119 V120 L124 G125K118-K122 WeakPolarHBondContact O-CG 3.14Å; K118-K122 PolarHBondContact O-N 3.38Å; R119-K122 WeakPolarHBondContact O-CB 3.43Å; R119-K122 PolarHBondContact O-N 3.38Å; V120-K122 VanDerWaalsContact C-N 3.29Å; V120-K122 PolarHBondContact O-N 3.3Å; K122-L124 VanDerWaalsContact C-N 3.27Å; K122-L124 PolarHBondContact O-N 3.19Å; K122-G125 PolarHBondContact O-N 3.26Å; K122-G125 VanDerWaalsContact O-N 3.12Å
123E88.9Confident92.3Very high130 Ų13073.6 Ų73.661%0.60737%0.373SS*.Hα-helixtrans-64.5-33.2177.9-74.3175.5-169.400112.3R119 V120 G125R119-E123 WeakPolarHBondContact CG-OE1 3.19Å; R119-E123 IonicContact CZ-OE1 3.31Å; R119-E123 IonicContact NH1-OE1 3.93Å; R119-E123 PolarHBondContact NH1-OE1 3.17Å; R119-E123 IonicContact NH1-OE2 2.9Å; R119-E123 PolarHBondContact NH1-OE2 3.09Å; R119-E123 WeakPolarHBondContact O-CG 3.13Å; R119-E123 PolarHBondContact O-N 3.38Å; V120-E123 PolarHBondContact O-N 3.42Å; V120-E123 VanDerWaalsContact O-N 3.14Å; E123-G125 VanDerWaalsContact C-N 3.29Å
124L86.3Confident92.2Very high124 Ų12476.2 Ų76.265%0.64938%0.384SS*.THydrogen-bonded Turntrans-80.8-8174.8-64.9176.9000113.3V120 A121 K122 E126V120-L124 HydrophobicContact CG1-CD1 3.8Å; V120-L124 HydrophobicContact CG1-CG 4.19Å; V120-L124 WeakPolarHBondContact O-CG 2.82Å; V120-L124 PolarHBondContact O-N 3.1Å; A121-L124 PolarHBondContact O-N 3.2Å; K122-L124 VanDerWaalsContact C-N 3.27Å; K122-L124 PolarHBondContact O-N 3.19Å; L124-E126 VanDerWaalsContact C-N 3.28Å; L124-E126 HydrophobicContact CB-CG 4.21Å
125G87.6Confident92.1Very high58 Ų5879.9 Ų79.960%0.59840%0.401SS*.THydrogen-bonded Turntrans73.718.1-177.300000114A121 K122 E123A121-G125 PolarHBondContact O-N 2.77Å; K122-G125 PolarHBondContact O-N 3.26Å; K122-G125 VanDerWaalsContact O-N 3.12Å; E123-G125 VanDerWaalsContact C-N 3.29Å
126E87.8Confident91.9Very high114 Ų11478 Ų7853%0.53340%0.396SS..  trans-76.9126.2174.7-67.2-65159.900109.7A121 L124 L128A121-E126 HydrophobicContact CB-CB 4.47Å; A121-E126 PolarHBondContact O-N 3.45Å; L124-E126 VanDerWaalsContact C-N 3.28Å; L124-E126 HydrophobicContact CB-CG 4.21Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 HydrophobicContact CB-CD1 4.41Å; E126-L128 HydrophobicContact CB-CG 4.34Å; E126-L128 PolarHBondContact O-N 2.69Å
127N88.6Confident91.9Very high163 Ų16378 Ų7887%0.87240%0.396SS*.  trans-9369178-85.5-24.3000110.3
128L89.7Confident91.9Very high60 Ų6081.6 Ų81.631%0.31442%0.415SS..  trans-91.7138.6173-62.7170.2000110.3A121 E126 E132 L133 M136A121-L128 HydrophobicContact CB-CD1 4.41Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 HydrophobicContact CB-CD1 4.41Å; E126-L128 HydrophobicContact CB-CG 4.34Å; E126-L128 PolarHBondContact O-N 2.69Å; L128-E132 HydrophobicContact CB-CB 4.44Å; L128-E132 HydrophobicContact CD2-CB 4.31Å; L128-L133 HydrophobicContact CB-CD2 3.92Å; L128-L133 HydrophobicContact CB-CG 3.95Å; L128-L133 HydrophobicContact CD1-CD2 3.79Å; L128-M136 HydrophobicContact CD1-SD 3.96Å
129T94.4Very high91.8Very high67 Ų6785.6 Ų85.641%0.41144%0.435SS..  trans-73160.2172.259.90000111E131 E132 L133T129-E131 PolarHBondContact O-N 2.91Å; T129-E132 WeakPolarHBondContact CB-OE2 3.29Å; T129-E132 PolarHBondContact N-OE2 3.2Å; T129-E132 PolarHBondContact O-N 3.42Å; T129-E132 VanDerWaalsContact OG1-CG 3.28Å; T129-E132 WeakPolarHBondContact OG1-CG 3.33Å; T129-E132 PolarHBondContact OG1-N 3.05Å; T129-E132 PolarHBondContact OG1-OE2 2.97Å; T129-L133 WeakPolarHBondContact O-CG 3.47Å; T129-L133 PolarHBondContact O-N 3.13Å
130D94.1Very high91.7Very high81 Ų8183 Ų8343%0.43343%0.427SS..Hα-helixtrans-60.8-30174.8-757.1000111.6F114 K118 Q134F114-D130 WeakPolarHBondContact CE2-O 3.37Å; F114-D130 HydrophobicContact CZ-CB 3.9Å; K118-D130 WeakPolarHBondContact CE-OD1 3.46Å; K118-D130 IonicContact NZ-OD1 2.77Å; K118-D130 PolarHBondContact NZ-OD1 3.25Å; K118-D130 IonicContact NZ-OD2 2.95Å; K118-D130 PolarHBondContact NZ-OD2 3.23Å; D130-Q134 WeakPolarHBondContact O-CB 3.4Å; D130-Q134 PolarHBondContact O-N 3.01Å
131E95.2Very high91.9Very high152 Ų15283.6 Ų83.671%0.7143%0.429SS*.Hα-helixtrans-68.3-48.2175.7-65.4167.4157.200111.1T129 L133 Q134 E135T129-E131 PolarHBondContact O-N 2.91Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 3.16Å; E131-Q134 WeakPolarHBondContact O-CB 3.48Å; E131-Q134 PolarHBondContact O-N 2.91Å; E131-Q134 VanDerWaalsContact O-N 3.16Å; E131-E135 WeakPolarHBondContact O-CG 3.39Å; E131-E135 PolarHBondContact O-N 3.25Å
132E92.5Very high92Very high82 Ų8291.4 Ų91.438%0.38346%0.457SS..Hα-helixtrans-62.8-39.7176.6-72.6164.5130.900112.2L128 T129 Q134 E135 M136L128-E132 HydrophobicContact CB-CB 4.44Å; L128-E132 HydrophobicContact CD2-CB 4.31Å; T129-E132 WeakPolarHBondContact CB-OE2 3.29Å; T129-E132 PolarHBondContact N-OE2 3.2Å; T129-E132 PolarHBondContact O-N 3.42Å; T129-E132 VanDerWaalsContact OG1-CG 3.28Å; T129-E132 WeakPolarHBondContact OG1-CG 3.33Å; T129-E132 PolarHBondContact OG1-N 3.05Å; T129-E132 PolarHBondContact OG1-OE2 2.97Å; E132-Q134 VanDerWaalsContact C-N 3.31Å; E132-Q134 PolarHBondContact O-N 2.85Å; E132-E135 PolarHBondContact O-N 3.01Å; E132-M136 WeakPolarHBondContact O-CG 3.34Å; E132-M136 PolarHBondContact O-N 3.15Å
133L92.9Very high92.2Very high3 Ų388.8 Ų88.82%0.01645%0.45CS..Hα-helixtrans-65.4-36.7175.8-68.1171.8000111.7F114 L117 K118 A121 L128 T129 E131 M136 I137F114-L133 HydrophobicContact CD2-CB 4.3Å; F114-L133 HydrophobicContact CE2-CB 3.62Å; F114-L133 HydrophobicContact CZ-CB 4.17Å; F114-L133 HydrophobicContact CZ-CD1 4.45Å; L117-L133 HydrophobicContact CD2-CD2 4.18Å; L117-L133 HydrophobicContact CG-CD2 3.98Å; K118-L133 HydrophobicContact CB-CD1 3.84Å; K118-L133 HydrophobicContact CD-CD1 4.29Å; K118-L133 HydrophobicContact CG-CD1 3.85Å; A121-L133 HydrophobicContact CB-CD2 3.97Å; L128-L133 HydrophobicContact CB-CD2 3.92Å; L128-L133 HydrophobicContact CB-CG 3.95Å; L128-L133 HydrophobicContact CD1-CD2 3.79Å; T129-L133 WeakPolarHBondContact O-CG 3.47Å; T129-L133 PolarHBondContact O-N 3.13Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 3.16Å; L133-M136 HydrophobicContact CD2-SD 4.43Å; L133-M136 PolarHBondContact O-N 3.3Å; L133-I137 PolarHBondContact O-N 3.44Å
134Q94.1Very high92.4Very high71 Ų7185.5 Ų85.533%0.33245%0.451SS..Hα-helixtrans-68.3-43.2175.8-171.661.454.400110.8F114 D130 E131 E132 M136 I137 D138F114-Q134 HydrophobicContact CE2-CB 4.19Å; D130-Q134 WeakPolarHBondContact O-CB 3.4Å; D130-Q134 PolarHBondContact O-N 3.01Å; E131-Q134 WeakPolarHBondContact O-CB 3.48Å; E131-Q134 PolarHBondContact O-N 2.91Å; E131-Q134 VanDerWaalsContact O-N 3.16Å; E132-Q134 VanDerWaalsContact C-N 3.31Å; E132-Q134 PolarHBondContact O-N 2.85Å; Q134-M136 PolarHBondContact O-N 3.01Å; Q134-I137 PolarHBondContact O-N 3.49Å; Q134-D138 PolarHBondContact NE2-OD1 2.92Å; Q134-D138 PolarHBondContact O-N 2.9Å
135E94.2Very high92.9Very high133 Ų13382.7 Ų82.762%0.62144%0.437SS*.Hα-helixtrans-58.8-36.6174.9-72.6-176.3174.600112.2E131 E132 D138 E139E131-E135 WeakPolarHBondContact O-CG 3.39Å; E131-E135 PolarHBondContact O-N 3.25Å; E132-E135 PolarHBondContact O-N 3.01Å; E135-D138 PolarHBondContact O-N 3.12Å; E135-E139 WeakPolarHBondContact O-CB 3.48Å; E135-E139 PolarHBondContact O-N 3.39Å
136M91.8Very high93.2Very high95 Ų9581.7 Ų81.747%0.46843%0.427SS..Hα-helixtrans-64-38.4174.8-72.1178.971.600113L117 L128 E132 L133 Q134 A140L117-M136 HydrophobicContact CD1-CE 4.35Å; L117-M136 HydrophobicContact CD2-CB 3.91Å; L117-M136 HydrophobicContact CD2-CE 4.48Å; L117-M136 HydrophobicContact CD2-SD 4.41Å; L128-M136 HydrophobicContact CD1-SD 3.96Å; E132-M136 WeakPolarHBondContact O-CG 3.34Å; E132-M136 PolarHBondContact O-N 3.15Å; L133-M136 HydrophobicContact CD2-SD 4.43Å; L133-M136 PolarHBondContact O-N 3.3Å; Q134-M136 PolarHBondContact O-N 3.01Å; M136-A140 WeakPolarHBondContact O-CB 3.31Å; M136-A140 PolarHBondContact O-N 3.47Å
137I94.5Very high93.6Very high2 Ų279 Ų791%0.0141%0.414CS..Hα-helixtrans-68.5-49.5174.7-63.8-67.3000109.3L117 L133 Q134 E139 A140 D141 G146 V148L117-I137 HydrophobicContact CB-CD1 4.41Å; L117-I137 HydrophobicContact CD2-CD1 3.78Å; L117-I137 HydrophobicContact CD2-CG1 3.93Å; L133-I137 PolarHBondContact O-N 3.44Å; Q134-I137 PolarHBondContact O-N 3.49Å; I137-E139 VanDerWaalsContact C-N 3.28Å; I137-E139 PolarHBondContact O-N 2.98Å; I137-A140 CarbonylContact O-C 3.44Å; I137-A140 WeakPolarHBondContact O-CA 3.43Å; I137-A140 WeakPolarHBondContact O-CB 3.1Å; I137-A140 PolarHBondContact O-N 2.87Å; I137-D141 WeakPolarHBondContact O-CB 2.9Å; I137-D141 PolarHBondContact O-N 3.43Å; I137-G146 WeakPolarHBondContact CG2-O 3.41Å; I137-V148 HydrophobicContact CD1-CG2 3.71Å; I137-V148 HydrophobicContact CG2-CG2 4.32Å
138D94.2Very high94Very high93 Ų9371.6 Ų71.650%0.49737%0.374SS..Hα-helixtrans-61.9-33.6-176.3-63.4-12.3000112.6Q134 E135 A140Q134-D138 PolarHBondContact NE2-OD1 2.92Å; Q134-D138 PolarHBondContact O-N 2.9Å; E135-D138 PolarHBondContact O-N 3.12Å; D138-A140 VanDerWaalsContact C-N 3.33Å
139E92.1Very high94.3Very high137 Ų13770.2 Ų70.264%0.6437%0.367SS*.Hα-helixtrans-73.2-26.5175-177.663.6-152.800112.5E135 I137 R155E135-E139 WeakPolarHBondContact O-CB 3.48Å; E135-E139 PolarHBondContact O-N 3.39Å; I137-E139 VanDerWaalsContact C-N 3.28Å; I137-E139 PolarHBondContact O-N 2.98Å; E139-R155 PolarHBondContact O-NH2 2.93Å
140A92.9Very high94.2Very high7 Ų770.9 Ų70.96%0.05837%0.366CS..Hα-helixtrans-87.8-45-178.800000112.5M136 I137 D138 R142 V148 R155 I156M136-A140 WeakPolarHBondContact O-CB 3.31Å; M136-A140 PolarHBondContact O-N 3.47Å; I137-A140 CarbonylContact O-C 3.44Å; I137-A140 WeakPolarHBondContact O-CA 3.43Å; I137-A140 WeakPolarHBondContact O-CB 3.1Å; I137-A140 PolarHBondContact O-N 2.87Å; D138-A140 VanDerWaalsContact C-N 3.33Å; A140-R142 PolarHBondContact O-N 3.48Å; A140-V148 HydrophobicContact CB-CB 4.43Å; A140-V148 HydrophobicContact CB-CG1 3.95Å; A140-V148 HydrophobicContact CB-CG2 3.55Å; A140-R155 VanDerWaalsContact O-CZ 3.23Å; A140-R155 PolarHBondContact O-NH1 3Å; A140-R155 PolarHBondContact O-NH2 3.34Å; A140-I156 HydrophobicContact CB-CD1 4.22Å; A140-I156 HydrophobicContact CB-CG1 3.73Å
141D95.5Very high94Very high25 Ų2574.4 Ų74.413%0.13438%0.38CS..  trans-65116.2-178.3179.57.5000111.1I137 D143 G144 D145 G146I137-D141 WeakPolarHBondContact O-CB 2.9Å; I137-D141 PolarHBondContact O-N 3.43Å; D141-D143 PolarHBondContact OD1-N 2.97Å; D141-G144 WeakPolarHBondContact OD1-CA 3.38Å; D141-G144 PolarHBondContact OD1-N 2.87Å; D141-G144 VanDerWaalsContact OD2-C 3.24Å; D141-G144 WeakPolarHBondContact OD2-CA 3.45Å; D141-D145 PolarHBondContact OD1-N 3.1Å; D141-D145 PolarHBondContact OD2-N 3.16Å; D141-D145 VanDerWaalsContact OD2-N 3.15Å; D141-G146 WeakPolarHBondContact OD2-CA 3.48Å; D141-G146 PolarHBondContact OD2-N 3.16Å
142R94.3Very high94Very high173 Ų17367.6 Ų67.665%0.65335%0.348SS*.SBendtrans-109.1-24179.2-93.1-170.3-178.1-164.1-6.3113.4A140 E152 R155A140-R142 PolarHBondContact O-N 3.48Å; R142-E152 HydrophobicContact CB-CG 4.49Å; R142-E152 PolarHBondContact N-OE1 3.48Å; R142-R155 VanDerWaalsContact NE-CZ 3.26Å
143D94.5Very high93.9Very high94 Ų9464.4 Ų64.450%0.50333%0.333SS..SBendtrans-88.9-10.6177.46528.5000112.5D141 D145 N149 E152D141-D143 PolarHBondContact OD1-N 2.97Å; D143-D145 WeakPolarHBondContact OD1-CB 3.44Å; D143-D145 PolarHBondContact OD1-N 3.16Å; D143-N149 PolarHBondContact OD2-ND2 3.46Å; D143-N149 VanDerWaalsContact OD2-ND2 3.09Å; D143-E152 PolarHBondContact N-OE1 3.44Å
144G94.3Very high93.7Very high62 Ų6265.1 Ų65.164%0.63934%0.337SS*.  trans78.124.2172.900000112.9D141 G146D141-G144 WeakPolarHBondContact OD1-CA 3.38Å; D141-G144 PolarHBondContact OD1-N 2.87Å; D141-G144 VanDerWaalsContact OD2-C 3.24Å; D141-G144 WeakPolarHBondContact OD2-CA 3.45Å; G144-G146 VanDerWaalsContact C-N 3.33Å
145D95.1Very high93.4Very high64 Ų6463.9 Ų63.934%0.34233%0.329SS..SBendtrans-85.6-4.5-178.677.710.4000114.2K111 D141 D143 E147K111-D145 WeakPolarHBondContact CE-OD2 3.25Å; K111-D145 IonicContact NZ-OD2 2.67Å; K111-D145 PolarHBondContact NZ-OD2 3.34Å; D141-D145 PolarHBondContact OD1-N 3.1Å; D141-D145 PolarHBondContact OD2-N 3.16Å; D141-D145 VanDerWaalsContact OD2-N 3.15Å; D143-D145 WeakPolarHBondContact OD1-CB 3.44Å; D143-D145 PolarHBondContact OD1-N 3.16Å; D145-E147 VanDerWaalsContact C-N 3.34Å; D145-E147 WeakPolarHBondContact OD1-CA 3.43Å; D145-E147 PolarHBondContact OD1-N 3.43Å
146G94.2Very high93.1Very high38 Ų3859.4 Ų59.439%0.39231%0.309SS..SBendtrans82.58.2178.100000114.2I137 D141 G144I137-G146 WeakPolarHBondContact CG2-O 3.41Å; D141-G146 WeakPolarHBondContact OD2-CA 3.48Å; D141-G146 PolarHBondContact OD2-N 3.16Å; G144-G146 VanDerWaalsContact C-N 3.33Å
147E96.3Very high92.7Very high58 Ų5857.8 Ų57.827%0.27130%0.301SS..SBendtrans-132.7171.2178.1-56.6-174.812000110K111 S113 D145K111-E147 HydrophobicContact CB-CB 4.02Å; K111-E147 HydrophobicContact CD-CB 3.97Å; K111-E147 WeakPolarHBondContact CD-OE2 3.29Å; K111-E147 IonicContact NZ-OE2 2.58Å; S113-E147 WeakPolarHBondContact CB-OE1 3.42Å; D145-E147 VanDerWaalsContact C-N 3.34Å; D145-E147 WeakPolarHBondContact OD1-CA 3.43Å; D145-E147 PolarHBondContact OD1-N 3.43Å
148V96.6Very high92Very high6 Ų663.8 Ų63.84%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-115.1110.3179.7-1760000109.9K111 I112 I137 A140 E152 F153K111-V148 CarbonylContact C-O 3.58Å; K111-V148 WeakPolarHBondContact CA-O 3.43Å; I112-V148 HydrophobicContact CB-CB 4.22Å; I112-V148 PolarHBondContact N-O 2.82Å; I112-V148 PolarHBondContact O-N 2.92Å; I137-V148 HydrophobicContact CD1-CG2 3.71Å; I137-V148 HydrophobicContact CG2-CG2 4.32Å; A140-V148 HydrophobicContact CB-CB 4.43Å; A140-V148 HydrophobicContact CB-CG1 3.95Å; A140-V148 HydrophobicContact CB-CG2 3.55Å; V148-E152 WeakPolarHBondContact CA-OE2 3.46Å; V148-E152 HydrophobicContact CG1-CB 3.65Å; V148-F153 HydrophobicContact CG1-CB 4.01Å
149N95.7Very high91Very high31 Ų3165.8 Ų65.817%0.16633%0.331CS..EExtended strand (participates in β ladder)trans-78.3170.6176.769.351000112.4K111 D143 Q151 E152 F153K111-N149 HydrophobicContact CG-CB 4.37Å; D143-N149 PolarHBondContact OD2-ND2 3.46Å; D143-N149 VanDerWaalsContact OD2-ND2 3.09Å; N149-Q151 PolarHBondContact O-N 3.19Å; N149-Q151 WeakPolarHBondContact OD1-CB 3.21Å; N149-Q151 PolarHBondContact OD1-N 3.44Å; N149-E152 PolarHBondContact N-OE2 2.9Å; N149-E152 PolarHBondContact ND2-OE1 2.92Å; N149-E152 PolarHBondContact ND2-OE2 2.96Å; N149-E152 VanDerWaalsContact ND2-OE2 3.09Å; N149-E152 PolarHBondContact O-N 3.34Å; N149-E152 VanDerWaalsContact O-N 3.14Å; N149-E152 WeakPolarHBondContact OD1-CG 2.98Å; N149-E152 PolarHBondContact OD1-N 2.81Å; N149-F153 PolarHBondContact O-N 2.79Å
150E92.7Very high89.7Confident81 Ų8163.8 Ų63.838%0.37933%0.329SS..Hα-helixtrans-52.9-41-178.8-172.6-172.2116.100112.8L98 L154L98-E150 HydrophobicContact CD2-CG 3.27Å; L98-E150 WeakPolarHBondContact CD2-OE1 3.41Å; E150-L154 HydrophobicContact CG-CD1 4.03Å; E150-L154 VanDerWaalsContact O-CB 3.3Å; E150-L154 WeakPolarHBondContact O-CB 3.46Å; E150-L154 VanDerWaalsContact O-CG 3.26Å; E150-L154 WeakPolarHBondContact O-CG 3.41Å; E150-L154 PolarHBondContact O-N 3.24Å
151Q91.3Very high87.7Confident156 Ų15665.8 Ų65.873%0.72934%0.342SS*.Hα-helixtrans-70.8-37.3-177.1-62.2-169.23.200111.8N149 R155N149-Q151 PolarHBondContact O-N 3.19Å; N149-Q151 WeakPolarHBondContact OD1-CB 3.21Å; N149-Q151 PolarHBondContact OD1-N 3.44Å; Q151-R155 WeakPolarHBondContact O-CB 3.45Å; Q151-R155 PolarHBondContact O-N 3.32Å
152E94.1Very high85.1Confident9 Ų972.9 Ų72.94%0.04238%0.379CS..Hα-helixtrans-69.6-44.1176.8-69164.1157.900111.4R142 D143 V148 N149 R155 I156R142-E152 HydrophobicContact CB-CG 4.49Å; R142-E152 PolarHBondContact N-OE1 3.48Å; D143-E152 PolarHBondContact N-OE1 3.44Å; V148-E152 WeakPolarHBondContact CA-OE2 3.46Å; V148-E152 HydrophobicContact CG1-CB 3.65Å; N149-E152 PolarHBondContact N-OE2 2.9Å; N149-E152 PolarHBondContact ND2-OE1 2.92Å; N149-E152 PolarHBondContact ND2-OE2 2.96Å; N149-E152 VanDerWaalsContact ND2-OE2 3.09Å; N149-E152 PolarHBondContact O-N 3.34Å; N149-E152 VanDerWaalsContact O-N 3.14Å; N149-E152 WeakPolarHBondContact OD1-CG 2.98Å; N149-E152 PolarHBondContact OD1-N 2.81Å; E152-R155 WeakPolarHBondContact O-CB 3.34Å; E152-R155 PolarHBondContact O-N 2.85Å; E152-R155 VanDerWaalsContact O-N 3.14Å; E152-I156 WeakPolarHBondContact O-CG1 3.29Å; E152-I156 PolarHBondContact O-N 2.93Å
153F91.4Very high82.4Confident15 Ų1575.2 Ų75.27%0.06639%0.389CS..Hα-helixtrans-62.2-45.5175.3-170.4-102.9000111.8I97 A100 F101 F104 I112 V148 N149 R155 I156 M157I97-F153 HydrophobicContact CG2-CD1 3.73Å; I97-F153 HydrophobicContact CG2-CE1 3.8Å; A100-F153 HydrophobicContact CB-CE1 4.43Å; F101-F153 HydrophobicContact CB-CD1 3.84Å; F101-F153 HydrophobicContact CB-CE1 3.86Å; F101-F153 HydrophobicContact CD2-CB 3.64Å; F101-F153 AromaticContact CD2-CD1 3.71Å; F101-F153 HydrophobicContact CD2-CD1 3.71Å; F101-F153 HydrophobicContact CD2-CD2 4.29Å; F101-F153 HydrophobicContact CD2-CE1 4.35Å; F101-F153 AromaticContact CD2-CG 3.64Å; F101-F153 HydrophobicContact CD2-CG 3.64Å; F101-F153 HydrophobicContact CE2-CB 4Å; F101-F153 HydrophobicContact CE2-CG 4.39Å; F101-F153 HydrophobicContact CG-CD1 4.28Å; F104-F153 HydrophobicContact CD2-CE2 4.16Å; F104-F153 AromaticContact CD2-CZ 3.91Å; F104-F153 HydrophobicContact CD2-CZ 3.91Å; F104-F153 HydrophobicContact CE2-CE2 4.21Å; F104-F153 AromaticContact CE2-CZ 3.91Å; F104-F153 HydrophobicContact CE2-CZ 3.91Å; I112-F153 HydrophobicContact CD1-CB 4.48Å; I112-F153 HydrophobicContact CD1-CD2 3.34Å; I112-F153 HydrophobicContact CD1-CE2 3.51Å; I112-F153 HydrophobicContact CD1-CG 3.97Å; I112-F153 HydrophobicContact CD1-CZ 4.26Å; V148-F153 HydrophobicContact CG1-CB 4.01Å; N149-F153 PolarHBondContact O-N 2.79Å; F153-R155 VanDerWaalsContact C-N 3.27Å; F153-R155 PolarHBondContact O-N 2.91Å; F153-I156 PolarHBondContact O-N 2.95Å; F153-M157 HydrophobicContact CD1-CG 4.06Å; F153-M157 HydrophobicContact CE1-CE 3.89Å; F153-M157 HydrophobicContact CE1-CG 3.82Å; F153-M157 HydrophobicContact CE2-CE 3.61Å; F153-M157 HydrophobicContact CZ-CE 3.23Å; F153-M157 HydrophobicContact CZ-CG 4.11Å; F153-M157 WeakPolarHBondContact O-CB 3.31Å; F153-M157 WeakPolarHBondContact O-CG 3.25Å; F153-M157 PolarHBondContact O-N 3.29Å
154L88.6Confident81.8Confident18 Ų1874.3 Ų74.39%0.09438%0.384CS..Hα-helixtrans-58-40.6173.2-81.1168.3000111.8K94 I97 L98 E150 K158K94-L154 HydrophobicContact CG-CD1 4.46Å; K94-L154 HydrophobicContact CG-CD2 3.87Å; I97-L154 HydrophobicContact CB-CD2 3.91Å; I97-L154 HydrophobicContact CD1-CD2 4.2Å; I97-L154 HydrophobicContact CG2-CD2 3.58Å; I97-L154 HydrophobicContact CG2-CG 4.27Å; L98-L154 HydrophobicContact CD2-CD1 4.24Å; L98-L154 HydrophobicContact CD2-CG 4.41Å; E150-L154 HydrophobicContact CG-CD1 4.03Å; E150-L154 VanDerWaalsContact O-CB 3.3Å; E150-L154 WeakPolarHBondContact O-CB 3.46Å; E150-L154 VanDerWaalsContact O-CG 3.26Å; E150-L154 WeakPolarHBondContact O-CG 3.41Å; E150-L154 PolarHBondContact O-N 3.24Å; L154-K158 VanDerWaalsContact O-CB 3.26Å; L154-K158 WeakPolarHBondContact O-CB 3.27Å; L154-K158 WeakPolarHBondContact O-CG 3.27Å; L154-K158 PolarHBondContact O-N 2.79Å
155R87.7Confident81.2Confident45 Ų4574.9 Ų74.917%0.1737%0.37CS..Hα-helixtrans-63.2-46.9177.5-175.5-166.584.5-128.713.5111.1E139 A140 R142 Q151 E152 F153 K158 K159E139-R155 PolarHBondContact O-NH2 2.93Å; A140-R155 VanDerWaalsContact O-CZ 3.23Å; A140-R155 PolarHBondContact O-NH1 3Å; A140-R155 PolarHBondContact O-NH2 3.34Å; R142-R155 VanDerWaalsContact NE-CZ 3.26Å; Q151-R155 WeakPolarHBondContact O-CB 3.45Å; Q151-R155 PolarHBondContact O-N 3.32Å; E152-R155 WeakPolarHBondContact O-CB 3.34Å; E152-R155 PolarHBondContact O-N 2.85Å; E152-R155 VanDerWaalsContact O-N 3.14Å; F153-R155 VanDerWaalsContact C-N 3.27Å; F153-R155 PolarHBondContact O-N 2.91Å; R155-K158 PolarHBondContact O-N 2.86Å; R155-K159 WeakPolarHBondContact O-CB 3.41Å; R155-K159 PolarHBondContact O-N 2.9Å
156I87.7Confident80.4Confident38 Ų3875.5 Ų75.520%0.19537%0.372CS..Hα-helixtrans-64.5-50.2179.5-68.4-63.6000110.2A140 E152 F153 K158 K159 T160A140-I156 HydrophobicContact CB-CD1 4.22Å; A140-I156 HydrophobicContact CB-CG1 3.73Å; E152-I156 WeakPolarHBondContact O-CG1 3.29Å; E152-I156 PolarHBondContact O-N 2.93Å; F153-I156 PolarHBondContact O-N 2.95Å; I156-K158 VanDerWaalsContact C-N 3.26Å; I156-K158 PolarHBondContact O-N 3.35Å; I156-K159 PolarHBondContact O-N 3.42Å; I156-T160 WeakPolarHBondContact O-CB 3.46Å; I156-T160 PolarHBondContact O-N 3.44Å; I156-T160 PolarHBondContact O-OG1 2.74Å
157M83.8Confident79.6Confident61 Ų6177.7 Ų77.730%0.337%0.371SS..Hα-helixtrans-59.7-37178.5-71.7-63.3178.900112.4I97 F153 S161I97-M157 HydrophobicContact CD1-CB 3.88Å; I97-M157 HydrophobicContact CG1-CB 4.05Å; I97-M157 HydrophobicContact CG2-CB 3.9Å; I97-M157 HydrophobicContact CG2-CG 3.88Å; F153-M157 HydrophobicContact CD1-CG 4.06Å; F153-M157 HydrophobicContact CE1-CE 3.89Å; F153-M157 HydrophobicContact CE1-CG 3.82Å; F153-M157 HydrophobicContact CE2-CE 3.61Å; F153-M157 HydrophobicContact CZ-CE 3.23Å; F153-M157 HydrophobicContact CZ-CG 4.11Å; F153-M157 WeakPolarHBondContact O-CB 3.31Å; F153-M157 WeakPolarHBondContact O-CG 3.25Å; F153-M157 PolarHBondContact O-N 3.29Å; M157-S161 VanDerWaalsContact O-CB 3.28Å; M157-S161 WeakPolarHBondContact O-CB 3.21Å; M157-S161 PolarHBondContact O-N 3.27Å; M157-S161 VanDerWaalsContact O-N 3.09Å; M157-S161 PolarHBondContact O-OG 3.03Å
158K78.6Confident78.6Confident128 Ų12878.9 Ų78.956%0.55738%0.377SS*.Hα-helixtrans-71.5-31.8173.9-74.5179.1178.5-170.10114.1L154 R155 I156L154-K158 VanDerWaalsContact O-CB 3.26Å; L154-K158 WeakPolarHBondContact O-CB 3.27Å; L154-K158 WeakPolarHBondContact O-CG 3.27Å; L154-K158 PolarHBondContact O-N 2.79Å; R155-K158 PolarHBondContact O-N 2.86Å; I156-K158 VanDerWaalsContact C-N 3.26Å; I156-K158 PolarHBondContact O-N 3.35Å
159K74.4Confident77.3Confident135 Ų13583.8 Ų83.859%0.58740%0.4SS*.Hα-helixtrans-77.8-40.6176.7-90.1-172.4168.4-166.60112.7R155 I156 S161R155-K159 WeakPolarHBondContact O-CB 3.41Å; R155-K159 PolarHBondContact O-N 2.9Å; I156-K159 PolarHBondContact O-N 3.42Å; K159-S161 VanDerWaalsContact C-N 3.31Å
160T64.8Low76Confident96 Ų9687.6 Ų87.659%0.58942%0.416SS*.Hα-helixtrans-80.5-17.1-176.8-53.40000111.8I156 L162I156-T160 WeakPolarHBondContact O-CB 3.46Å; I156-T160 PolarHBondContact O-N 3.44Å; I156-T160 PolarHBondContact O-OG1 2.74Å; T160-L162 VanDerWaalsContact C-N 3.33Å; T160-L162 PolarHBondContact O-N 2.73Å
161S50.2Low74.8Confident49 Ų4988.1 Ų88.134%0.34342%0.419SS..  trans-57.693.7168.9-76.40000111.7M157 K159 Y163M157-S161 VanDerWaalsContact O-CB 3.28Å; M157-S161 WeakPolarHBondContact O-CB 3.21Å; M157-S161 PolarHBondContact O-N 3.27Å; M157-S161 VanDerWaalsContact O-N 3.09Å; M157-S161 PolarHBondContact O-OG 3.03Å; K159-S161 VanDerWaalsContact C-N 3.31Å; S161-Y163 PolarHBondContact O-N 3.17Å
162L41.1Very low73.4Confident174 Ų17482.4 Ų82.491%0.91139%0.393SS*.  trans-5082.9144.1-76.6148.2000109.5T160T160-L162 VanDerWaalsContact C-N 3.33Å; T160-L162 PolarHBondContact O-N 2.73Å
163Y38.2Very low71.5Confident221 Ų22189.1 Ų89.187%0.86743%0.425SS*.  trans-125.50158.5-72.1-65.8000109.7S161S161-Y163 PolarHBondContact O-N 3.17Å

Retrieved 163 of 163 residues in 52.3 ms (Link to these results)

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