A0A077ZGU6_TRITR Loading...

NUDIX and Nudix N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGU6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 204 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
1M72.5Confident89.8Confident81 Ų8180.9 Ų80.940%0.39938%0.379SS..  0137.90-176.3160.35600107.4L5 L6 L43 H46M1-L5 HydrophobicContact CG-CB 3.55Å; M1-L5 HydrophobicContact CG-CD1 4.31Å; M1-L5 HydrophobicContact SD-CB 3.91Å; M1-L6 HydrophobicContact CE-CB 3.54Å; M1-L6 HydrophobicContact CE-CD1 3.4Å; M1-L6 VanDerWaalsContact CE-CD1 3.4Å; M1-L6 HydrophobicContact CE-CG 3.98Å; M1-L43 HydrophobicContact CE-CD2 3.4Å; M1-L43 VanDerWaalsContact CE-CD2 3.4Å; M1-L43 HydrophobicContact SD-CD2 4.35Å; M1-H46 HydrophobicContact CB-CB 3.86Å
2E84.4Confident90.4Very high142 Ų14278.8 Ų78.866%0.66437%0.372SS*.  trans-60.5146.9172.2-64.4178.4178.900110.4Q4 L5 L6E2-Q4 VanDerWaalsContact C-N 3.26Å; E2-Q4 PolarHBondContact O-N 2.84Å; E2-L5 HydrophobicContact CB-CD1 4.19Å; E2-L5 HydrophobicContact CB-CG 4.3Å; E2-L5 PolarHBondContact O-N 3.46Å; E2-L5 VanDerWaalsContact O-N 3.11Å; E2-L6 PolarHBondContact O-N 3.3Å
3E85.2Confident90.9Very high156 Ų15673.2 Ų73.273%0.72935%0.345SS*.Hα-helixtrans-57.1-41.1-176.4-67.8-173.4160.300112L5 L6 D7E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 3.38Å; E3-L6 WeakPolarHBondContact O-CB 3.25Å; E3-L6 PolarHBondContact O-N 2.95Å; E3-L6 VanDerWaalsContact O-N 3.15Å; E3-D7 PolarHBondContact O-N 3.45Å
4Q90.6Very high91.3Very high95 Ų9570.3 Ų70.344%0.44434%0.34SS..Hα-helixtrans-63.5-36.4178.9-172.363.174.700113.3E2 L6 D7 W8E2-Q4 VanDerWaalsContact C-N 3.26Å; E2-Q4 PolarHBondContact O-N 2.84Å; Q4-L6 VanDerWaalsContact C-N 3.33Å; Q4-D7 WeakPolarHBondContact O-CB 3.46Å; Q4-D7 PolarHBondContact O-N 2.58Å; Q4-W8 HydrophobicContact CG-CD2 4.24Å; Q4-W8 HydrophobicContact CG-CH2 3.97Å; Q4-W8 HydrophobicContact CG-CZ2 3.55Å; Q4-W8 HydrophobicContact CG-CZ3 4.48Å; Q4-W8 PolarHBondContact O-N 3.44Å; Q4-W8 VanDerWaalsContact O-N 3.07Å
5L91.4Very high91.7Very high49 Ų4972.1 Ų72.126%0.25735%0.351SS..Hα-helixtrans-69.3-35.1176.8-70.5174.5000111.1M1 E2 E3 W8 A9M1-L5 HydrophobicContact CG-CB 3.55Å; M1-L5 HydrophobicContact CG-CD1 4.31Å; M1-L5 HydrophobicContact SD-CB 3.91Å; E2-L5 HydrophobicContact CB-CD1 4.19Å; E2-L5 HydrophobicContact CB-CG 4.3Å; E2-L5 PolarHBondContact O-N 3.46Å; E2-L5 VanDerWaalsContact O-N 3.11Å; E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 3.38Å; L5-W8 HydrophobicContact CD2-CE3 3.8Å; L5-W8 HydrophobicContact CD2-CZ3 3.82Å; L5-A9 WeakPolarHBondContact O-CB 3.33Å; L5-A9 PolarHBondContact O-N 3.3Å
6L91.1Very high92Very high28 Ų2867.6 Ų67.615%0.14733%0.329CS..Hα-helixtrans-65.3-43.2172.3-177.557.6000111.2M1 E2 E3 Q4 W8 A9 I10 L43 R138 A140M1-L6 HydrophobicContact CE-CB 3.54Å; M1-L6 HydrophobicContact CE-CD1 3.4Å; M1-L6 VanDerWaalsContact CE-CD1 3.4Å; M1-L6 HydrophobicContact CE-CG 3.98Å; E2-L6 PolarHBondContact O-N 3.3Å; E3-L6 WeakPolarHBondContact O-CB 3.25Å; E3-L6 PolarHBondContact O-N 2.95Å; E3-L6 VanDerWaalsContact O-N 3.15Å; Q4-L6 VanDerWaalsContact C-N 3.33Å; L6-W8 PolarHBondContact O-N 2.83Å; L6-A9 PolarHBondContact O-N 3.07Å; L6-I10 HydrophobicContact CD1-CD1 3.9Å; L6-I10 HydrophobicContact CD1-CG1 4.11Å; L6-I10 HydrophobicContact CG-CD1 3.82Å; L6-I10 HydrophobicContact CG-CG1 4.44Å; L6-I10 VanDerWaalsContact O-CG1 3.3Å; L6-I10 WeakPolarHBondContact O-CG1 3.49Å; L6-I10 PolarHBondContact O-N 3.25Å; L6-L43 HydrophobicContact CD1-CD2 3.92Å; L6-R138 HydrophobicContact CD2-CG 4.21Å; L6-A140 HydrophobicContact CD1-CB 4.32Å
7D92.5Very high92.3Very high56 Ų5664.2 Ų64.230%0.29931%0.312SS..Hα-helixtrans-55.6-51.2176.1-67.6-35.6000111.4E3 Q4 A9 I10 E11 R138E3-D7 PolarHBondContact O-N 3.45Å; Q4-D7 WeakPolarHBondContact O-CB 3.46Å; Q4-D7 PolarHBondContact O-N 2.58Å; D7-A9 PolarHBondContact O-N 3.13Å; D7-I10 PolarHBondContact O-N 2.96Å; D7-E11 WeakPolarHBondContact O-CB 3.34Å; D7-E11 PolarHBondContact O-N 2.87Å; D7-R138 IonicContact OD1-CZ 2.71Å; D7-R138 IonicContact OD1-NH1 3.47Å; D7-R138 PolarHBondContact OD1-NH1 3.47Å; D7-R138 IonicContact OD1-NH2 2.83Å; D7-R138 PolarHBondContact OD1-NH2 2.89Å; D7-R138 IonicContact OD2-NH1 3.81Å
8W95.1Very high92.6Very high128 Ų12861.7 Ų61.749%0.48530%0.304SS..Hα-helixtrans-63.2-40.3179.1-66-22000112.4Q4 L5 L6 E11 L12 M42Q4-W8 HydrophobicContact CG-CD2 4.24Å; Q4-W8 HydrophobicContact CG-CH2 3.97Å; Q4-W8 HydrophobicContact CG-CZ2 3.55Å; Q4-W8 HydrophobicContact CG-CZ3 4.48Å; Q4-W8 PolarHBondContact O-N 3.44Å; Q4-W8 VanDerWaalsContact O-N 3.07Å; L5-W8 HydrophobicContact CD2-CE3 3.8Å; L5-W8 HydrophobicContact CD2-CZ3 3.82Å; L6-W8 PolarHBondContact O-N 2.83Å; W8-E11 PolarHBondContact O-N 3.33Å; W8-L12 WeakPolarHBondContact O-CB 3.31Å; W8-L12 WeakPolarHBondContact O-CD1 3.24Å; W8-L12 WeakPolarHBondContact O-CG 3.24Å; W8-L12 PolarHBondContact O-N 2.8Å; W8-M42 HydrophobicContact CB-CE 3.8Å
9A94.9Very high92.9Very high0 Ų059.1 Ų59.10%030%0.295CS..Hα-helixtrans-61.6-46.4176.900000111.4L5 L6 D7 Q13 A39 M42 L43 F58L5-A9 WeakPolarHBondContact O-CB 3.33Å; L5-A9 PolarHBondContact O-N 3.3Å; L6-A9 PolarHBondContact O-N 3.07Å; D7-A9 PolarHBondContact O-N 3.13Å; A9-Q13 WeakPolarHBondContact O-CB 3.38Å; A9-Q13 PolarHBondContact O-N 2.89Å; A9-A39 WeakPolarHBondContact O-CB 3.29Å; A9-M42 HydrophobicContact CB-CB 4.14Å; A9-M42 HydrophobicContact CB-CE 4.21Å; A9-M42 HydrophobicContact CB-SD 4.41Å; A9-L43 HydrophobicContact CB-CD2 3.9Å; A9-L43 HydrophobicContact CB-CG 4.33Å; A9-F58 WeakPolarHBondContact O-CZ 3.47Å
10I94.4Very high93.1Very high39 Ų3958.4 Ų58.420%0.229%0.291CS..Hα-helixtrans-61.3-48.9177.5-66.4168.1000110.7L6 D7 Q13 A14 F58L6-I10 HydrophobicContact CD1-CD1 3.9Å; L6-I10 HydrophobicContact CD1-CG1 4.11Å; L6-I10 HydrophobicContact CG-CD1 3.82Å; L6-I10 HydrophobicContact CG-CG1 4.44Å; L6-I10 VanDerWaalsContact O-CG1 3.3Å; L6-I10 WeakPolarHBondContact O-CG1 3.49Å; L6-I10 PolarHBondContact O-N 3.25Å; D7-I10 PolarHBondContact O-N 2.96Å; I10-Q13 PolarHBondContact O-N 2.96Å; I10-A14 WeakPolarHBondContact O-CB 3.16Å; I10-A14 PolarHBondContact O-N 2.9Å; I10-F58 HydrophobicContact CG1-CE2 4.28Å
11E96Very high93.2Very high116 Ų11658 Ų5854%0.54229%0.292SS..Hα-helixtrans-65.2-45.4-178.3-173.2177.6-168.700112.1D7 W8 Q13 A14 L15D7-E11 WeakPolarHBondContact O-CB 3.34Å; D7-E11 PolarHBondContact O-N 2.87Å; W8-E11 PolarHBondContact O-N 3.33Å; E11-Q13 VanDerWaalsContact C-N 3.31Å; E11-Q13 PolarHBondContact O-N 2.86Å; E11-A14 PolarHBondContact O-N 3.17Å; E11-L15 HydrophobicContact CG-CD1 4.21Å; E11-L15 WeakPolarHBondContact O-CG 3.34Å; E11-L15 PolarHBondContact O-N 3.31Å
12L96.9Very high94.4Very high56 Ų5661.1 Ų61.129%0.29330%0.301SS..Hα-helixtrans-60.3-42.1177.1-74.8171.2000111.6W8 L15 A16 I35 A39 M42W8-L12 WeakPolarHBondContact O-CB 3.31Å; W8-L12 WeakPolarHBondContact O-CD1 3.24Å; W8-L12 WeakPolarHBondContact O-CG 3.24Å; W8-L12 PolarHBondContact O-N 2.8Å; L12-L15 PolarHBondContact O-N 2.89Å; L12-A16 WeakPolarHBondContact O-CB 3.49Å; L12-A16 PolarHBondContact O-N 3.15Å; L12-I35 HydrophobicContact CB-CG2 4.04Å; L12-I35 HydrophobicContact CD2-CG2 4.01Å; L12-I35 WeakPolarHBondContact O-CG2 3.43Å; L12-A39 HydrophobicContact CB-CB 4.02Å; L12-M42 HydrophobicContact CD1-SD 3.74Å
13Q96.9Very high95Very high5 Ų555.6 Ų55.62%0.02328%0.277CS..Hα-helixtrans-66.7-42.2175.5167.846.99.800111.8A9 I10 E11 L15 A16 Q17 R36 A39 F58A9-Q13 WeakPolarHBondContact O-CB 3.38Å; A9-Q13 PolarHBondContact O-N 2.89Å; I10-Q13 PolarHBondContact O-N 2.96Å; E11-Q13 VanDerWaalsContact C-N 3.31Å; E11-Q13 PolarHBondContact O-N 2.86Å; Q13-L15 VanDerWaalsContact C-N 3.31Å; Q13-L15 PolarHBondContact O-N 2.59Å; Q13-A16 PolarHBondContact O-N 3.33Å; Q13-Q17 WeakPolarHBondContact O-CB 3.46Å; Q13-Q17 PolarHBondContact O-N 3.01Å; Q13-R36 VanDerWaalsContact OE1-CG 3.29Å; Q13-A39 HydrophobicContact CB-CB 3.94Å; Q13-F58 HydrophobicContact CB-CD1 4.42Å; Q13-F58 HydrophobicContact CB-CE1 3.51Å; Q13-F58 HydrophobicContact CB-CE2 4.25Å; Q13-F58 HydrophobicContact CB-CZ 3.41Å; Q13-F58 VanDerWaalsContact CB-CZ 3.41Å; Q13-F58 HydrophobicContact CG-CD1 4.28Å; Q13-F58 HydrophobicContact CG-CE1 3.81Å; Q13-F58 HydrophobicContact CG-CE2 4.22Å; Q13-F58 HydrophobicContact CG-CZ 3.79Å
14A96Very high95.5Very high33 Ų3356.5 Ų56.527%0.27328%0.281SS..Hα-helixtrans-59-44.2176.500000111.5I10 E11 Q17 A18 P65I10-A14 WeakPolarHBondContact O-CB 3.16Å; I10-A14 PolarHBondContact O-N 2.9Å; E11-A14 PolarHBondContact O-N 3.17Å; A14-Q17 PolarHBondContact O-N 3.34Å; A14-A18 WeakPolarHBondContact O-CB 3.17Å; A14-A18 PolarHBondContact O-N 3.39Å; A14-P65 HydrophobicContact CB-CB 4.3Å; A14-P65 HydrophobicContact CB-CG 3.89Å; A14-P65 WeakPolarHBondContact O-CG 3.17Å
15L97Very high95.8Very high98 Ų9855 Ų5551%0.51328%0.276SS..Hα-helixtrans-63-44.7175.4-69.9170.3000112E11 L12 Q13 A18 G19E11-L15 HydrophobicContact CG-CD1 4.21Å; E11-L15 WeakPolarHBondContact O-CG 3.34Å; E11-L15 PolarHBondContact O-N 3.31Å; L12-L15 PolarHBondContact O-N 2.89Å; Q13-L15 VanDerWaalsContact C-N 3.31Å; Q13-L15 PolarHBondContact O-N 2.59Å; L15-A18 PolarHBondContact O-N 2.67Å; L15-G19 PolarHBondContact O-N 2.9Å
16A97.7Very high96.1Very high0 Ų056.5 Ų56.50%029%0.289CS..Hα-helixtrans-63.7-43.3178.200000112.4L12 Q13 G19 L20 F32 I35 R36L12-A16 WeakPolarHBondContact O-CB 3.49Å; L12-A16 PolarHBondContact O-N 3.15Å; Q13-A16 PolarHBondContact O-N 3.33Å; A16-G19 PolarHBondContact O-N 2.92Å; A16-L20 WeakPolarHBondContact O-CB 3.34Å; A16-L20 WeakPolarHBondContact O-CG 3.45Å; A16-L20 PolarHBondContact O-N 2.92Å; A16-F32 HydrophobicContact CB-CB 4.5Å; A16-F32 WeakPolarHBondContact CB-O 3.3Å; A16-I35 HydrophobicContact CB-CB 4.09Å; A16-I35 HydrophobicContact CB-CG2 3.91Å; A16-R36 HydrophobicContact CB-CB 3.81Å
17Q97.3Very high96.5Very high9 Ų961.3 Ų61.34%0.04231%0.308CS..Hα-helixtrans-64.7-44.1177.5177.3174.7-18.700112.1Q13 A14 L20 T21 G63 P65Q13-Q17 WeakPolarHBondContact O-CB 3.46Å; Q13-Q17 PolarHBondContact O-N 3.01Å; A14-Q17 PolarHBondContact O-N 3.34Å; Q17-L20 PolarHBondContact O-N 2.92Å; Q17-T21 WeakPolarHBondContact O-CB 3.49Å; Q17-T21 PolarHBondContact O-N 2.88Å; Q17-T21 PolarHBondContact O-OG1 2.91Å; Q17-G63 WeakPolarHBondContact CG-O 3.39Å; Q17-G63 PolarHBondContact NE2-O 2.9Å; Q17-P65 HydrophobicContact CG-CB 4.5Å
18A97Very high96.7Very high20 Ų2061.2 Ų61.217%0.16531%0.308CS..Hα-helixtrans-62.9-43.917400000111.3A14 L15 T21 Y22 Y64A14-A18 WeakPolarHBondContact O-CB 3.17Å; A14-A18 PolarHBondContact O-N 3.39Å; L15-A18 PolarHBondContact O-N 2.67Å; A18-T21 WeakPolarHBondContact O-CB 3.28Å; A18-T21 PolarHBondContact O-N 3.17Å; A18-Y22 VanDerWaalsContact O-CD2 3.25Å; A18-Y22 WeakPolarHBondContact O-CD2 3.48Å; A18-Y22 PolarHBondContact O-N 3.18Å; A18-Y22 VanDerWaalsContact O-N 3.17Å; A18-Y64 HydrophobicContact CB-CD2 4.09Å; A18-Y64 HydrophobicContact CB-CE2 4.26Å
19G97.5Very high96.9Very high12 Ų1259.2 Ų59.212%0.12430%0.304CS..Hα-helixtrans-56.1-52.6175.300000112.3L15 A16 T21 Y22 T23 F32L15-G19 PolarHBondContact O-N 2.9Å; A16-G19 PolarHBondContact O-N 2.92Å; G19-T21 PolarHBondContact O-N 3.34Å; G19-Y22 PolarHBondContact O-N 3.18Å; G19-T23 VanDerWaalsContact O-CB 3.24Å; G19-T23 WeakPolarHBondContact O-CB 3.49Å; G19-T23 WeakPolarHBondContact O-CG2 3.36Å; G19-T23 PolarHBondContact O-N 2.68Å; G19-F32 VanDerWaalsContact C-CD2 3.46Å; G19-F32 VanDerWaalsContact CA-CE2 3.43Å
20L96.9Very high97Very high44 Ų4466 Ų6623%0.2334%0.336CS..Hα-helixtrans-63.2-27.7177.3-73.6165.4000113.6A16 Q17 Q29 F32A16-L20 WeakPolarHBondContact O-CB 3.34Å; A16-L20 WeakPolarHBondContact O-CG 3.45Å; A16-L20 PolarHBondContact O-N 2.92Å; Q17-L20 PolarHBondContact O-N 2.92Å; L20-Q29 HydrophobicContact CD2-CB 4.25Å; L20-Q29 HydrophobicContact CD2-CG 4.49Å; L20-F32 HydrophobicContact CD1-CB 4.32Å; L20-F32 HydrophobicContact CD2-CB 4Å; L20-F32 HydrophobicContact CG-CB 3.67Å
21T96.6Very high97.2Very high51 Ų5171.1 Ų71.131%0.31335%0.352SS..Hα-helixtrans-72.6-38.4178.4-64.40000112.2Q17 A18 G19 G63Q17-T21 WeakPolarHBondContact O-CB 3.49Å; Q17-T21 PolarHBondContact O-N 2.88Å; Q17-T21 PolarHBondContact O-OG1 2.91Å; A18-T21 WeakPolarHBondContact O-CB 3.28Å; A18-T21 PolarHBondContact O-N 3.17Å; G19-T21 PolarHBondContact O-N 3.34Å; T21-G63 WeakPolarHBondContact OG1-CA 3.42Å; T21-G63 PolarHBondContact OG1-N 2.8Å; T21-G63 PolarHBondContact OG1-O 2.87Å; T21-G63 VanDerWaalsContact OG1-O 3.06Å
22Y96.6Very high97.3Very high147 Ų14768 Ų6858%0.57634%0.337SS*.Hα-helixtrans-111.2-18.4-169.7-64.3-62.9000114.7A18 G19 H24 Y64A18-Y22 VanDerWaalsContact O-CD2 3.25Å; A18-Y22 WeakPolarHBondContact O-CD2 3.48Å; A18-Y22 PolarHBondContact O-N 3.18Å; A18-Y22 VanDerWaalsContact O-N 3.17Å; G19-Y22 PolarHBondContact O-N 3.18Å; Y22-H24 PolarHBondContact O-CE1 2.93Å; Y22-H24 PolarHBondContact O-ND1 2.91Å; Y22-H24 VanDerWaalsContact O-ND1 3.1Å; Y22-Y64 AromaticContact CE2-CD2 3.98Å; Y22-Y64 HydrophobicContact CE2-CD2 3.98Å
23T96.8Very high97.3Very high26 Ų2668.1 Ų68.116%0.1634%0.336CS..  trans-71.8140.9177.8-166.70000111.4G19 D25 D28 Q29 F32G19-T23 VanDerWaalsContact O-CB 3.24Å; G19-T23 WeakPolarHBondContact O-CB 3.49Å; G19-T23 WeakPolarHBondContact O-CG2 3.36Å; G19-T23 PolarHBondContact O-N 2.68Å; T23-D25 PolarHBondContact OG1-N 3.36Å; T23-D28 HydrophobicContact CG2-CB 4.29Å; T23-D28 WeakPolarHBondContact OG1-CB 3.39Å; T23-Q29 HydrophobicContact CG2-CB 4.45Å; T23-Q29 HydrophobicContact CG2-CG 3.44Å; T23-Q29 VanDerWaalsContact CG2-CG 3.44Å; T23-F32 HydrophobicContact CG2-CD2 4.01Å; T23-F32 HydrophobicContact CG2-CE2 4.14Å
24H96Very high97.4Very high175 Ų17573.6 Ų73.681%0.8136%0.357SS*.  trans-110-4.8170.3-5877.1000111.3Y22Y22-H24 PolarHBondContact O-CE1 2.93Å; Y22-H24 PolarHBondContact O-ND1 2.91Å; Y22-H24 VanDerWaalsContact O-ND1 3.1Å
25D98Very high97.4Very high63 Ų6374.5 Ų74.534%0.33736%0.356SS..  trans-88.2124.2-178.2-179.1-86.4000110.5T23 F27 D28 Q29T23-D25 PolarHBondContact OG1-N 3.36Å; D25-F27 VanDerWaalsContact C-N 3.29Å; D25-F27 PolarHBondContact O-N 3.24Å; D25-F27 WeakPolarHBondContact OD1-CA 3.43Å; D25-F27 WeakPolarHBondContact OD1-CB 3.5Å; D25-F27 PolarHBondContact OD1-N 2.88Å; D25-D28 HydrophobicContact CB-CB 4.17Å; D25-D28 PolarHBondContact O-N 3.46Å; D25-D28 PolarHBondContact OD1-N 3.33Å; D25-Q29 WeakPolarHBondContact O-CG 3.37Å; D25-Q29 PolarHBondContact O-N 2.87Å
26P97.7Very high97.4Very high81 Ų8170.7 Ų70.753%0.52634%0.335SS..Hα-helixtrans-66.6-26.9-176.525.9-34.2000113.6E30P26-E30 PolarHBondContact O-N 3.15Å
27F98.2Very high97.3Very high128 Ų12872.4 Ų72.456%0.56135%0.346SS*.Hα-helixtrans-73.8-37.4176.8-55.7-79.5000111.1D25 E30 R31D25-F27 VanDerWaalsContact C-N 3.29Å; D25-F27 PolarHBondContact O-N 3.24Å; D25-F27 WeakPolarHBondContact OD1-CA 3.43Å; D25-F27 WeakPolarHBondContact OD1-CB 3.5Å; D25-F27 PolarHBondContact OD1-N 2.88Å; F27-E30 PolarHBondContact O-N 3.47Å; F27-R31 VanDerWaalsContact O-CG 3.3Å; F27-R31 WeakPolarHBondContact O-CG 3.34Å; F27-R31 PolarHBondContact O-N 2.83Å; F27-R31 VanDerWaalsContact O-N 3.12Å
28D98Very high97.3Very high55 Ų5575 Ų7529%0.29436%0.359SS..Hα-helixtrans-67.3-37.9172.6-74.7-15.9000111.9T23 D25 E30 R31 F32T23-D28 HydrophobicContact CG2-CB 4.29Å; T23-D28 WeakPolarHBondContact OG1-CB 3.39Å; D25-D28 HydrophobicContact CB-CB 4.17Å; D25-D28 PolarHBondContact O-N 3.46Å; D25-D28 PolarHBondContact OD1-N 3.33Å; D28-E30 VanDerWaalsContact C-N 3.32Å; D28-E30 PolarHBondContact O-N 2.86Å; D28-R31 PolarHBondContact O-N 2.75Å; D28-R31 IonicContact OD1-CZ 3.07Å; D28-R31 IonicContact OD1-NH1 3.17Å; D28-R31 PolarHBondContact OD1-NH1 2.75Å; D28-F32 HydrophobicContact CB-CD2 4.21Å; D28-F32 HydrophobicContact CB-CE2 3.88Å; D28-F32 WeakPolarHBondContact O-CD2 3.39Å; D28-F32 WeakPolarHBondContact O-CG 3.28Å; D28-F32 PolarHBondContact O-N 2.71Å
29Q97.7Very high97.2Very high86 Ų8674 Ų7440%0.40235%0.351SS..Hα-helixtrans-56.7-46.4173.1-69173.73.400111.5L20 T23 D25 R31 F32 E33L20-Q29 HydrophobicContact CD2-CB 4.25Å; L20-Q29 HydrophobicContact CD2-CG 4.49Å; T23-Q29 HydrophobicContact CG2-CB 4.45Å; T23-Q29 HydrophobicContact CG2-CG 3.44Å; T23-Q29 VanDerWaalsContact CG2-CG 3.44Å; D25-Q29 WeakPolarHBondContact O-CG 3.37Å; D25-Q29 PolarHBondContact O-N 2.87Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-R31 PolarHBondContact O-N 3.3Å; Q29-F32 PolarHBondContact O-N 3.27Å; Q29-E33 VanDerWaalsContact O-CB 3.28Å; Q29-E33 WeakPolarHBondContact O-CB 3.45Å; Q29-E33 PolarHBondContact O-N 3.07Å
30E98.1Very high97.1Very high142 Ų14273.5 Ų73.566%0.66435%0.346SS*.Hα-helixtrans-59.9-43.6176.2-171.7-175.3149.200111.9P26 F27 D28 E33 R34P26-E30 PolarHBondContact O-N 3.15Å; F27-E30 PolarHBondContact O-N 3.47Å; D28-E30 VanDerWaalsContact C-N 3.32Å; D28-E30 PolarHBondContact O-N 2.86Å; E30-E33 PolarHBondContact O-N 3.49Å; E30-R34 PolarHBondContact O-N 3.33Å
31R98.5Very high97Very high146 Ų14674.6 Ų74.655%0.55135%0.35SS*.Hα-helixtrans-64.8-47178.9-69.3168.5-170.3135.35.4112F27 D28 Q29 E33 R34 I35F27-R31 VanDerWaalsContact O-CG 3.3Å; F27-R31 WeakPolarHBondContact O-CG 3.34Å; F27-R31 PolarHBondContact O-N 2.83Å; F27-R31 VanDerWaalsContact O-N 3.12Å; D28-R31 PolarHBondContact O-N 2.75Å; D28-R31 IonicContact OD1-CZ 3.07Å; D28-R31 IonicContact OD1-NH1 3.17Å; D28-R31 PolarHBondContact OD1-NH1 2.75Å; Q29-R31 VanDerWaalsContact C-N 3.34Å; Q29-R31 PolarHBondContact O-N 3.3Å; R31-E33 VanDerWaalsContact C-N 3.34Å; R31-R34 PolarHBondContact O-N 3.19Å; R31-I35 WeakPolarHBondContact O-CG1 3.36Å; R31-I35 PolarHBondContact O-N 2.68Å
32F98.1Very high96.8Very high50 Ų5074 Ų7422%0.21934%0.344CS..Hα-helixtrans-66-38178.7-67.3-53.2000111.7A16 G19 L20 T23 D28 Q29 R34 I35 R36A16-F32 HydrophobicContact CB-CB 4.5Å; A16-F32 WeakPolarHBondContact CB-O 3.3Å; G19-F32 VanDerWaalsContact C-CD2 3.46Å; G19-F32 VanDerWaalsContact CA-CE2 3.43Å; L20-F32 HydrophobicContact CD1-CB 4.32Å; L20-F32 HydrophobicContact CD2-CB 4Å; L20-F32 HydrophobicContact CG-CB 3.67Å; T23-F32 HydrophobicContact CG2-CD2 4.01Å; T23-F32 HydrophobicContact CG2-CE2 4.14Å; D28-F32 HydrophobicContact CB-CD2 4.21Å; D28-F32 HydrophobicContact CB-CE2 3.88Å; D28-F32 WeakPolarHBondContact O-CD2 3.39Å; D28-F32 WeakPolarHBondContact O-CG 3.28Å; D28-F32 PolarHBondContact O-N 2.71Å; Q29-F32 PolarHBondContact O-N 3.27Å; F32-R34 VanDerWaalsContact C-N 3.29Å; F32-R34 PolarHBondContact O-N 3.39Å; F32-I35 HydrophobicContact CD1-CD1 4.12Å; F32-I35 PolarHBondContact O-N 3.1Å; F32-R36 WeakPolarHBondContact O-CB 3.31Å; F32-R36 PolarHBondContact O-N 2.85Å
33E97.3Very high96.6Very high59 Ų5967.8 Ų67.828%0.27632%0.32SS..Hα-helixtrans-63.3-36.6173.5-172.451.4-123.200111.7Q29 E30 R31 R36 T37 R55Q29-E33 VanDerWaalsContact O-CB 3.28Å; Q29-E33 WeakPolarHBondContact O-CB 3.45Å; Q29-E33 PolarHBondContact O-N 3.07Å; E30-E33 PolarHBondContact O-N 3.49Å; R31-E33 VanDerWaalsContact C-N 3.34Å; E33-R36 IonicContact OE2-NH1 3.45Å; E33-T37 WeakPolarHBondContact O-CB 3.47Å; E33-T37 PolarHBondContact O-N 3.01Å; E33-T37 PolarHBondContact O-OG1 3.07Å; E33-R55 VanDerWaalsContact CD-NH2 3.29Å; E33-R55 IonicContact OE1-CZ 3.35Å; E33-R55 IonicContact OE1-NH1 2.7Å; E33-R55 PolarHBondContact OE1-NH1 3.1Å; E33-R55 IonicContact OE1-NH2 2.73Å; E33-R55 PolarHBondContact OE1-NH2 2.85Å; E33-R55 IonicContact OE2-NH2 3.97Å; E33-R55 PolarHBondContact OE2-NH2 2.9Å; E33-R55 VanDerWaalsContact OE2-NH2 3.17Å
34R97.7Very high96.4Very high120 Ų12068.2 Ų68.245%0.45332%0.324SS..Hα-helixtrans-66.8-42.1171.3-177.360-167.614811.1112.3E30 R31 F32 T37 I38 E41E30-R34 PolarHBondContact O-N 3.33Å; R31-R34 PolarHBondContact O-N 3.19Å; F32-R34 VanDerWaalsContact C-N 3.29Å; F32-R34 PolarHBondContact O-N 3.39Å; R34-T37 WeakPolarHBondContact O-CB 3.38Å; R34-T37 PolarHBondContact O-N 2.81Å; R34-I38 HydrophobicContact CG-CD1 4.1Å; R34-I38 WeakPolarHBondContact O-CG1 3.39Å; R34-I38 PolarHBondContact O-N 3.1Å; R34-E41 IonicContact CZ-OE1 3.65Å; R34-E41 IonicContact CZ-OE2 2.97Å; R34-E41 IonicContact NH1-OE1 3.86Å; R34-E41 PolarHBondContact NH1-OE1 3.07Å; R34-E41 IonicContact NH1-OE2 3.77Å; R34-E41 PolarHBondContact NH1-OE2 3.43Å; R34-E41 IonicContact NH2-OE1 2.72Å; R34-E41 IonicContact NH2-OE2 2.9Å; R34-E41 PolarHBondContact NH2-OE2 3.15Å
35I97.8Very high96.1Very high52 Ų5265 Ų6527%0.26732%0.317SS..Hα-helixtrans-60.2-46.8176.3-67.6165.9000110.5L12 A16 R31 F32 T37 I38 A39L12-I35 HydrophobicContact CB-CG2 4.04Å; L12-I35 HydrophobicContact CD2-CG2 4.01Å; L12-I35 WeakPolarHBondContact O-CG2 3.43Å; A16-I35 HydrophobicContact CB-CB 4.09Å; A16-I35 HydrophobicContact CB-CG2 3.91Å; R31-I35 WeakPolarHBondContact O-CG1 3.36Å; R31-I35 PolarHBondContact O-N 2.68Å; F32-I35 HydrophobicContact CD1-CD1 4.12Å; F32-I35 PolarHBondContact O-N 3.1Å; I35-T37 VanDerWaalsContact C-N 3.27Å; I35-T37 PolarHBondContact O-N 2.86Å; I35-I38 WeakPolarHBondContact O-CB 3.37Å; I35-I38 PolarHBondContact O-N 2.82Å; I35-I38 VanDerWaalsContact O-N 3.14Å; I35-A39 PolarHBondContact O-N 2.99Å
36R95.7Very high95.5Very high19 Ų1967.2 Ų67.27%0.07233%0.325CS..Hα-helixtrans-55.6-42.6173.6171.9176.9-71.5-173.5-14.4112.3Q13 A16 F32 E33 A39 T40 A59 E61Q13-R36 VanDerWaalsContact OE1-CG 3.29Å; A16-R36 HydrophobicContact CB-CB 3.81Å; F32-R36 WeakPolarHBondContact O-CB 3.31Å; F32-R36 PolarHBondContact O-N 2.85Å; E33-R36 IonicContact OE2-NH1 3.45Å; R36-A39 PolarHBondContact O-N 3.23Å; R36-T40 PolarHBondContact O-N 3.4Å; R36-T40 VanDerWaalsContact O-N 3.08Å; R36-T40 PolarHBondContact O-OG1 2.82Å; R36-A59 WeakPolarHBondContact CD-O 3.24Å; R36-A59 HydrophobicContact CG-CB 3.75Å; R36-A59 PolarHBondContact NE-O 3.09Å; R36-A59 PolarHBondContact NH1-O 2.75Å; R36-E61 PolarHBondContact NH2-O 3.35Å
37T96Very high94.9Very high36 Ų3665 Ų6522%0.22131%0.311CS..Hα-helixtrans-64.3-45.4176.3-58.40000111.1E33 R34 I35 A39 T40 E41E33-T37 WeakPolarHBondContact O-CB 3.47Å; E33-T37 PolarHBondContact O-N 3.01Å; E33-T37 PolarHBondContact O-OG1 3.07Å; R34-T37 WeakPolarHBondContact O-CB 3.38Å; R34-T37 PolarHBondContact O-N 2.81Å; I35-T37 VanDerWaalsContact C-N 3.27Å; I35-T37 PolarHBondContact O-N 2.86Å; T37-A39 PolarHBondContact O-N 2.93Å; T37-T40 WeakPolarHBondContact O-CB 3.48Å; T37-T40 PolarHBondContact O-N 3.2Å; T37-T40 VanDerWaalsContact O-N 3.17Å; T37-E41 HydrophobicContact CG2-CG 4.34Å; T37-E41 WeakPolarHBondContact CG2-OE1 3.29Å; T37-E41 VanDerWaalsContact O-CG 3.32Å; T37-E41 WeakPolarHBondContact O-CG 3.3Å; T37-E41 PolarHBondContact O-N 2.91Å
38I96.2Very high94.5Very high63 Ų6365.2 Ų65.232%0.32333%0.326SS..Hα-helixtrans-59.3-46.2176.1-69.2165.1000110.8R34 I35 T40 E41 M42R34-I38 HydrophobicContact CG-CD1 4.1Å; R34-I38 WeakPolarHBondContact O-CG1 3.39Å; R34-I38 PolarHBondContact O-N 3.1Å; I35-I38 WeakPolarHBondContact O-CB 3.37Å; I35-I38 PolarHBondContact O-N 2.82Å; I35-I38 VanDerWaalsContact O-N 3.14Å; I38-T40 VanDerWaalsContact C-N 3.27Å; I38-T40 PolarHBondContact O-N 2.83Å; I38-E41 WeakPolarHBondContact O-CB 3.44Å; I38-E41 PolarHBondContact O-N 3.15Å; I38-E41 VanDerWaalsContact O-N 3.14Å; I38-M42 HydrophobicContact CG2-CG 4.41Å; I38-M42 HydrophobicContact CG2-SD 4.19Å; I38-M42 VanDerWaalsContact O-CG 3.28Å; I38-M42 WeakPolarHBondContact O-CG 3.16Å; I38-M42 PolarHBondContact O-N 3.42Å
39A96Very high94.1Very high0 Ų065.7 Ų65.70%033%0.328CS..Hα-helixtrans-58.6-39.8177.200000112.1A9 L12 Q13 I35 R36 T37 M42 L43 F58A9-A39 WeakPolarHBondContact O-CB 3.29Å; L12-A39 HydrophobicContact CB-CB 4.02Å; Q13-A39 HydrophobicContact CB-CB 3.94Å; I35-A39 PolarHBondContact O-N 2.99Å; R36-A39 PolarHBondContact O-N 3.23Å; T37-A39 PolarHBondContact O-N 2.93Å; A39-M42 WeakPolarHBondContact O-CB 3.47Å; A39-M42 PolarHBondContact O-N 3.38Å; A39-L43 PolarHBondContact O-N 2.91Å; A39-F58 HydrophobicContact CB-CE1 4.13Å
40T94.9Very high93.8Very high1 Ų165.8 Ų65.81%0.00634%0.335CS..Hα-helixtrans-68.8-41.6175-52.30000111.9R36 T37 I38 M42 L43 S44 V51 L54 R55R36-T40 PolarHBondContact O-N 3.4Å; R36-T40 VanDerWaalsContact O-N 3.08Å; R36-T40 PolarHBondContact O-OG1 2.82Å; T37-T40 WeakPolarHBondContact O-CB 3.48Å; T37-T40 PolarHBondContact O-N 3.2Å; T37-T40 VanDerWaalsContact O-N 3.17Å; I38-T40 VanDerWaalsContact C-N 3.27Å; I38-T40 PolarHBondContact O-N 2.83Å; T40-M42 VanDerWaalsContact C-N 3.31Å; T40-M42 PolarHBondContact O-N 3.3Å; T40-L43 PolarHBondContact O-N 2.74Å; T40-S44 PolarHBondContact O-N 3.38Å; T40-V51 HydrophobicContact CG2-CG1 3.97Å; T40-L54 HydrophobicContact CG2-CB 3.66Å; T40-R55 HydrophobicContact CG2-CB 4.03Å
41E94.3Very high93.5Very high67 Ų6761.6 Ų61.631%0.31332%0.32SS..Hα-helixtrans-59.5-41.4175.2-73.3167.6179.300110.5R34 T37 I38 L43 S44 V45R34-E41 IonicContact CZ-OE1 3.65Å; R34-E41 IonicContact CZ-OE2 2.97Å; R34-E41 IonicContact NH1-OE1 3.86Å; R34-E41 PolarHBondContact NH1-OE1 3.07Å; R34-E41 IonicContact NH1-OE2 3.77Å; R34-E41 PolarHBondContact NH1-OE2 3.43Å; R34-E41 IonicContact NH2-OE1 2.72Å; R34-E41 IonicContact NH2-OE2 2.9Å; R34-E41 PolarHBondContact NH2-OE2 3.15Å; T37-E41 HydrophobicContact CG2-CG 4.34Å; T37-E41 WeakPolarHBondContact CG2-OE1 3.29Å; T37-E41 VanDerWaalsContact O-CG 3.32Å; T37-E41 WeakPolarHBondContact O-CG 3.3Å; T37-E41 PolarHBondContact O-N 2.91Å; I38-E41 WeakPolarHBondContact O-CB 3.44Å; I38-E41 PolarHBondContact O-N 3.15Å; I38-E41 VanDerWaalsContact O-N 3.14Å; E41-L43 VanDerWaalsContact C-N 3.35Å; E41-L43 PolarHBondContact O-N 2.94Å; E41-S44 WeakPolarHBondContact O-CB 3.46Å; E41-S44 PolarHBondContact O-N 3.11Å; E41-S44 PolarHBondContact O-OG 2.96Å; E41-V45 PolarHBondContact O-N 3.4Å
42M93.8Very high93.2Very high38 Ų3859.5 Ų59.519%0.18733%0.325CS..Hα-helixtrans-57.5-44.4176-70.2170.370.200112.2W8 A9 L12 I38 A39 T40 S44 V45W8-M42 HydrophobicContact CB-CE 3.8Å; A9-M42 HydrophobicContact CB-CB 4.14Å; A9-M42 HydrophobicContact CB-CE 4.21Å; A9-M42 HydrophobicContact CB-SD 4.41Å; L12-M42 HydrophobicContact CD1-SD 3.74Å; I38-M42 HydrophobicContact CG2-CG 4.41Å; I38-M42 HydrophobicContact CG2-SD 4.19Å; I38-M42 VanDerWaalsContact O-CG 3.28Å; I38-M42 WeakPolarHBondContact O-CG 3.16Å; I38-M42 PolarHBondContact O-N 3.42Å; A39-M42 WeakPolarHBondContact O-CB 3.47Å; A39-M42 PolarHBondContact O-N 3.38Å; T40-M42 VanDerWaalsContact C-N 3.31Å; T40-M42 PolarHBondContact O-N 3.3Å; M42-S44 VanDerWaalsContact C-N 3.27Å; M42-S44 PolarHBondContact O-N 3.38Å; M42-V45 PolarHBondContact O-N 3.05Å
43L91.3Very high92.9Very high16 Ų1661.8 Ų61.88%0.08433%0.334CS..Hα-helixtrans-62.7-36.2175.4-63.1-175.4000112M1 L6 A9 A39 T40 E41 V45 H46 S47 L54 F58M1-L43 HydrophobicContact CE-CD2 3.4Å; M1-L43 VanDerWaalsContact CE-CD2 3.4Å; M1-L43 HydrophobicContact SD-CD2 4.35Å; L6-L43 HydrophobicContact CD1-CD2 3.92Å; A9-L43 HydrophobicContact CB-CD2 3.9Å; A9-L43 HydrophobicContact CB-CG 4.33Å; A39-L43 PolarHBondContact O-N 2.91Å; T40-L43 PolarHBondContact O-N 2.74Å; E41-L43 VanDerWaalsContact C-N 3.35Å; E41-L43 PolarHBondContact O-N 2.94Å; L43-V45 VanDerWaalsContact C-N 3.32Å; L43-V45 PolarHBondContact O-N 2.84Å; L43-H46 PolarHBondContact O-N 3.23Å; L43-S47 WeakPolarHBondContact O-CB 2.78Å; L43-S47 PolarHBondContact O-N 2.77Å; L43-L54 HydrophobicContact CB-CD1 4.11Å; L43-L54 HydrophobicContact CB-CD2 4.39Å; L43-F58 HydrophobicContact CD1-CB 4.14Å; L43-F58 HydrophobicContact CD1-CD1 3.41Å; L43-F58 VanDerWaalsContact CD1-CD1 3.41Å; L43-F58 HydrophobicContact CD1-CD2 4.12Å; L43-F58 HydrophobicContact CD1-CE1 3.7Å; L43-F58 HydrophobicContact CD1-CE2 4.39Å; L43-F58 HydrophobicContact CD1-CG 3.62Å; L43-F58 HydrophobicContact CD1-CZ 4.18Å; L43-F58 HydrophobicContact CG-CD1 4.45Å; L43-F58 HydrophobicContact CG-CE1 4.37Å
44S92.1Very high92.7Very high35 Ų3559.6 Ų59.625%0.24533%0.325CS..Hα-helixtrans-68.9-26.3-177.179.20000114T40 E41 M42 H46 S47T40-S44 PolarHBondContact O-N 3.38Å; E41-S44 WeakPolarHBondContact O-CB 3.46Å; E41-S44 PolarHBondContact O-N 3.11Å; E41-S44 PolarHBondContact O-OG 2.96Å; M42-S44 VanDerWaalsContact C-N 3.27Å; M42-S44 PolarHBondContact O-N 3.38Å; S44-H46 PolarHBondContact O-N 3.05Å; S44-H46 VanDerWaalsContact O-N 3.14Å; S44-S47 PolarHBondContact O-N 3.14Å
45V90.5Very high92.5Very high108 Ų10856.9 Ų56.966%0.65531%0.314SS*.THydrogen-bonded Turntrans-58.4-31179175.50000112E41 M42 L43E41-V45 PolarHBondContact O-N 3.4Å; M42-V45 PolarHBondContact O-N 3.05Å; L43-V45 VanDerWaalsContact C-N 3.32Å; L43-V45 PolarHBondContact O-N 2.84Å
46H85.3Confident92.1Very high110 Ų11059 Ų5951%0.50932%0.323SS..THydrogen-bonded Turntrans-12216-177.7-66.9-68.2000113.5M1 L43 S44M1-H46 HydrophobicContact CB-CB 3.86Å; L43-H46 PolarHBondContact O-N 3.23Å; S44-H46 PolarHBondContact O-N 3.05Å; S44-H46 VanDerWaalsContact O-N 3.14Å
47S85.9Confident91.8Very high33 Ų3363.4 Ų63.423%0.23135%0.347CS..  trans-123.6136.3-178.7-178.60000110.3L43 S44 I49L43-S47 WeakPolarHBondContact O-CB 2.78Å; L43-S47 PolarHBondContact O-N 2.77Å; S44-S47 PolarHBondContact O-N 3.14Å; S47-I49 PolarHBondContact O-N 3.44Å; S47-I49 WeakPolarHBondContact OG-CB 3.41Å; S47-I49 WeakPolarHBondContact OG-CG1 3.37Å; S47-I49 PolarHBondContact OG-N 3.37Å
48P89Confident91.6Very high134 Ų13463 Ų6387%0.8734%0.343SS*.SBendtrans-72.1-4171.332.8-36.1000112.5
49I90.2Very high91.4Very high65 Ų6560 Ų6033%0.33333%0.327SS..SBendtrans-80.9128.1-175.9-55.5173.4000109.5S47 K53 L54S47-I49 PolarHBondContact O-N 3.44Å; S47-I49 WeakPolarHBondContact OG-CB 3.41Å; S47-I49 WeakPolarHBondContact OG-CG1 3.37Å; S47-I49 PolarHBondContact OG-N 3.37Å; I49-K53 HydrophobicContact CG2-CB 3.73Å; I49-K53 HydrophobicContact CG2-CG 3.75Å; I49-L54 HydrophobicContact CB-CD1 4.39Å; I49-L54 HydrophobicContact CB-CD2 3.9Å; I49-L54 HydrophobicContact CB-CG 3.86Å; I49-L54 HydrophobicContact CD1-CD2 4.1Å; I49-L54 HydrophobicContact CG2-CD2 3.99Å; I49-L54 HydrophobicContact CG2-CG 3.75Å; I49-L54 WeakPolarHBondContact O-CD1 3.32Å
50P91.9Very high91.1Very high87 Ų8764.8 Ų64.857%0.56535%0.35SS*.  trans-58142.3175.3-25.534.7000112.8P52 K53 L54P50-P52 VanDerWaalsContact C-CD 3.46Å; P50-P52 VanDerWaalsContact C-N 3.34Å; P50-K53 WeakPolarHBondContact O-CA 3.42Å; P50-K53 WeakPolarHBondContact O-CB 3.44Å; P50-K53 PolarHBondContact O-N 2.74Å; P50-L54 PolarHBondContact O-N 3.38Å
51V91.3Very high90.9Very high55 Ų5569 Ų6933%0.33337%0.369SS..Hα-helixtrans-48.3-45179.9173.60000113.5T40 K53 L54 R55T40-V51 HydrophobicContact CG2-CG1 3.97Å; V51-K53 VanDerWaalsContact C-N 3.25Å; V51-K53 PolarHBondContact O-N 2.95Å; V51-L54 PolarHBondContact O-N 3.14Å; V51-R55 PolarHBondContact O-N 2.79Å
52P92.5Very high90.7Very high101 Ų10171.9 Ų71.966%0.65639%0.391SS*.Hα-helixtrans-59.6-36177.9-25.335.6000113.3P50 Q56P50-P52 VanDerWaalsContact C-CD 3.46Å; P50-P52 VanDerWaalsContact C-N 3.34Å; P52-Q56 PolarHBondContact O-N 3.02Å
53K92Very high90.7Very high98 Ų9871.4 Ų71.443%0.42640%0.396SS..Hα-helixtrans-76.3-37.6178.5-17562.8-179.9179.20111.7I49 P50 V51 R55 Q56 L57I49-K53 HydrophobicContact CG2-CB 3.73Å; I49-K53 HydrophobicContact CG2-CG 3.75Å; P50-K53 WeakPolarHBondContact O-CA 3.42Å; P50-K53 WeakPolarHBondContact O-CB 3.44Å; P50-K53 PolarHBondContact O-N 2.74Å; V51-K53 VanDerWaalsContact C-N 3.25Å; V51-K53 PolarHBondContact O-N 2.95Å; K53-R55 VanDerWaalsContact C-N 3.31Å; K53-Q56 PolarHBondContact O-N 2.96Å; K53-L57 HydrophobicContact CG-CD1 4.21Å; K53-L57 WeakPolarHBondContact O-CG 3.37Å; K53-L57 PolarHBondContact O-N 2.67Å; K53-L57 VanDerWaalsContact O-N 3.14Å
54L92.2Very high90.8Very high13 Ų1377.4 Ų77.47%0.06842%0.419CS..Hα-helixtrans-60.2-44.1171.7-75.6170.1000111.1T40 L43 I49 P50 V51 Q56 L57 F58T40-L54 HydrophobicContact CG2-CB 3.66Å; L43-L54 HydrophobicContact CB-CD1 4.11Å; L43-L54 HydrophobicContact CB-CD2 4.39Å; I49-L54 HydrophobicContact CB-CD1 4.39Å; I49-L54 HydrophobicContact CB-CD2 3.9Å; I49-L54 HydrophobicContact CB-CG 3.86Å; I49-L54 HydrophobicContact CD1-CD2 4.1Å; I49-L54 HydrophobicContact CG2-CD2 3.99Å; I49-L54 HydrophobicContact CG2-CG 3.75Å; I49-L54 WeakPolarHBondContact O-CD1 3.32Å; P50-L54 PolarHBondContact O-N 3.38Å; V51-L54 PolarHBondContact O-N 3.14Å; L54-Q56 VanDerWaalsContact C-N 3.31Å; L54-Q56 PolarHBondContact O-N 2.75Å; L54-L57 PolarHBondContact O-N 2.93Å; L54-L57 VanDerWaalsContact O-N 3.1Å; L54-F58 VanDerWaalsContact O-CB 3.3Å; L54-F58 WeakPolarHBondContact O-CB 3.48Å; L54-F58 PolarHBondContact O-N 3.39Å
55R92.6Very high90.8Very high63 Ų6377.1 Ų77.124%0.23842%0.416CS..Hα-helixtrans-55.9-48.7176.5-172.4-172.1169.981.1-1.2111E33 T40 V51 K53 L57 F58 A59 E60E33-R55 VanDerWaalsContact CD-NH2 3.29Å; E33-R55 IonicContact OE1-CZ 3.35Å; E33-R55 IonicContact OE1-NH1 2.7Å; E33-R55 PolarHBondContact OE1-NH1 3.1Å; E33-R55 IonicContact OE1-NH2 2.73Å; E33-R55 PolarHBondContact OE1-NH2 2.85Å; E33-R55 IonicContact OE2-NH2 3.97Å; E33-R55 PolarHBondContact OE2-NH2 2.9Å; E33-R55 VanDerWaalsContact OE2-NH2 3.17Å; T40-R55 HydrophobicContact CG2-CB 4.03Å; V51-R55 PolarHBondContact O-N 2.79Å; K53-R55 VanDerWaalsContact C-N 3.31Å; R55-L57 VanDerWaalsContact C-N 3.27Å; R55-L57 PolarHBondContact O-N 2.87Å; R55-F58 PolarHBondContact O-N 2.89Å; R55-A59 HydrophobicContact CG-CB 4.01Å; R55-A59 CarbonylContact O-C 3.5Å; R55-A59 WeakPolarHBondContact O-CA 3.23Å; R55-A59 WeakPolarHBondContact O-CB 3.42Å; R55-A59 PolarHBondContact O-N 2.89Å; R55-E60 HydrophobicContact CG-CG 4.27Å; R55-E60 PolarHBondContact O-N 3.03Å
56Q91.2Very high91Very high98 Ų9876.4 Ų76.446%0.45841%0.412SS..Hα-helixtrans-56.7-40.6177.2-173.9-177.835.200113.1P52 K53 L54 E60P52-Q56 PolarHBondContact O-N 3.02Å; K53-Q56 PolarHBondContact O-N 2.96Å; L54-Q56 VanDerWaalsContact C-N 3.31Å; L54-Q56 PolarHBondContact O-N 2.75Å; Q56-E60 VanDerWaalsContact CA-CD 3.45Å
57L89.6Confident91.5Very high110 Ų11074.6 Ų74.658%0.57641%0.41SS*.Hα-helixtrans-82.6-23.4-174.6-66.9172.7000114K53 L54 R55K53-L57 HydrophobicContact CG-CD1 4.21Å; K53-L57 WeakPolarHBondContact O-CG 3.37Å; K53-L57 PolarHBondContact O-N 2.67Å; K53-L57 VanDerWaalsContact O-N 3.14Å; L54-L57 PolarHBondContact O-N 2.93Å; L54-L57 VanDerWaalsContact O-N 3.1Å; R55-L57 VanDerWaalsContact C-N 3.27Å; R55-L57 PolarHBondContact O-N 2.87Å
58F91.4Very high91.9Very high28 Ų2876.9 Ų76.912%0.12342%0.416CS..Hα-helixtrans-123.9-27.8-167.7173.8-117000113.8A9 I10 Q13 A39 L43 L54 R55 A140A9-F58 WeakPolarHBondContact O-CZ 3.47Å; I10-F58 HydrophobicContact CG1-CE2 4.28Å; Q13-F58 HydrophobicContact CB-CD1 4.42Å; Q13-F58 HydrophobicContact CB-CE1 3.51Å; Q13-F58 HydrophobicContact CB-CE2 4.25Å; Q13-F58 HydrophobicContact CB-CZ 3.41Å; Q13-F58 VanDerWaalsContact CB-CZ 3.41Å; Q13-F58 HydrophobicContact CG-CD1 4.28Å; Q13-F58 HydrophobicContact CG-CE1 3.81Å; Q13-F58 HydrophobicContact CG-CE2 4.22Å; Q13-F58 HydrophobicContact CG-CZ 3.79Å; A39-F58 HydrophobicContact CB-CE1 4.13Å; L43-F58 HydrophobicContact CD1-CB 4.14Å; L43-F58 HydrophobicContact CD1-CD1 3.41Å; L43-F58 VanDerWaalsContact CD1-CD1 3.41Å; L43-F58 HydrophobicContact CD1-CD2 4.12Å; L43-F58 HydrophobicContact CD1-CE1 3.7Å; L43-F58 HydrophobicContact CD1-CE2 4.39Å; L43-F58 HydrophobicContact CD1-CG 3.62Å; L43-F58 HydrophobicContact CD1-CZ 4.18Å; L43-F58 HydrophobicContact CG-CD1 4.45Å; L43-F58 HydrophobicContact CG-CE1 4.37Å; L54-F58 VanDerWaalsContact O-CB 3.3Å; L54-F58 WeakPolarHBondContact O-CB 3.48Å; L54-F58 PolarHBondContact O-N 3.39Å; R55-F58 PolarHBondContact O-N 2.89Å; F58-A140 HydrophobicContact CD2-CB 4.01Å; F58-A140 WeakPolarHBondContact CD2-O 3.29Å; F58-A140 HydrophobicContact CE2-CB 4.16Å; F58-A140 WeakPolarHBondContact CE2-O 3.34Å
59A91.7Very high92.4Very high0 Ų073.8 Ų73.80%039%0.392CS..THydrogen-bonded Turntrans-1280.5-162.800000115.5R36 R55R36-A59 WeakPolarHBondContact CD-O 3.24Å; R36-A59 HydrophobicContact CG-CB 3.75Å; R36-A59 PolarHBondContact NE-O 3.09Å; R36-A59 PolarHBondContact NH1-O 2.75Å; R55-A59 HydrophobicContact CG-CB 4.01Å; R55-A59 CarbonylContact O-C 3.5Å; R55-A59 WeakPolarHBondContact O-CA 3.23Å; R55-A59 WeakPolarHBondContact O-CB 3.42Å; R55-A59 PolarHBondContact O-N 2.89Å
60E90.3Very high92.8Very high101 Ų10171.1 Ų71.147%0.47238%0.378SS..  trans-94.1-3.5-179.9-76.5-174.8-174.600114.3R55 Q56R55-E60 HydrophobicContact CG-CG 4.27Å; R55-E60 PolarHBondContact O-N 3.03Å; Q56-E60 VanDerWaalsContact CA-CD 3.45Å
61E89.6Confident93.1Very high88 Ų8867 Ų6741%0.41135%0.351SS..  trans-65.2145.7170.6-65.2-168.317500111.1R36 K68R36-E61 PolarHBondContact NH2-O 3.35Å; E61-K68 IonicContact OE1-NZ 3.03Å; E61-K68 PolarHBondContact OE1-NZ 3.15Å
62V90Very high93.4Very high128 Ų12864.9 Ų64.978%0.77634%0.337SS*.  trans-121.8159.7-178.4-63.10000110
63G93.3Very high93.7Very high28 Ų2860.1 Ų60.129%0.28931%0.306SS..SBendtrans82.8179.4-171.500000111.4Q17 T21Q17-G63 WeakPolarHBondContact CG-O 3.39Å; Q17-G63 PolarHBondContact NE2-O 2.9Å; T21-G63 WeakPolarHBondContact OG1-CA 3.42Å; T21-G63 PolarHBondContact OG1-N 2.8Å; T21-G63 PolarHBondContact OG1-O 2.87Å; T21-G63 VanDerWaalsContact OG1-O 3.06Å
64Y93.5Very high94.1Very high142 Ų14255.4 Ų55.456%0.55729%0.286SS*.SBendtrans-62.3131.2178.2-173.4-101.7000110.5A18 Y22 T66A18-Y64 HydrophobicContact CB-CD2 4.09Å; A18-Y64 HydrophobicContact CB-CE2 4.26Å; Y22-Y64 AromaticContact CE2-CD2 3.98Å; Y22-Y64 HydrophobicContact CE2-CD2 3.98Å; Y64-T66 HydrophobicContact CD1-CG2 3.92Å; Y64-T66 PolarHBondContact O-N 2.73Å
65P93.4Very high94.4Very high30 Ų3054.8 Ų54.820%0.19528%0.283CS..  trans-66.1127.8179.928.6-36000110.6A14 Q17A14-P65 HydrophobicContact CB-CB 4.3Å; A14-P65 HydrophobicContact CB-CG 3.89Å; A14-P65 WeakPolarHBondContact O-CG 3.17Å; Q17-P65 HydrophobicContact CG-CB 4.5Å
66T94.3Very high94.7Very high92 Ų9253 Ų5356%0.56428%0.276SS*.  trans-133.6152.3178.556.80000110.9Y64Y64-T66 HydrophobicContact CD1-CG2 3.92Å; Y64-T66 PolarHBondContact O-N 2.73Å
67P95Very high95Very high72 Ų7253.4 Ų53.447%0.46828%0.277SS..  trans-65147171.128.5-34.5000110.4G142P67-G142 CarbonylContact C-O 3.6Å; P67-G142 VanDerWaalsContact CA-O 3.28Å; P67-G142 WeakPolarHBondContact CA-O 3.1Å
68K95.9Very high95.3Very high81 Ų8154.8 Ų54.835%0.35229%0.285SS..EExtended strand (participates in β ladder)trans-72.1162.1168.2-59.7-169.8-170.6-62.50110.2E61 W97 Y141 G142 V143 C144E61-K68 IonicContact OE1-NZ 3.03Å; E61-K68 PolarHBondContact OE1-NZ 3.15Å; K68-W97 HydrophobicContact CB-CE3 4.2Å; K68-W97 HydrophobicContact CB-CZ3 3.83Å; K68-W97 HydrophobicContact CD-CZ3 4.37Å; K68-Y141 HydrophobicContact CD-CD2 4.49Å; K68-Y141 HydrophobicContact CD-CE2 4.31Å; K68-G142 PolarHBondContact N-O 3.2Å; K68-V143 CarbonylContact O-C 3.55Å; K68-V143 WeakPolarHBondContact O-CA 3.39Å; K68-C144 PolarHBondContact O-N 3.3Å
69L98Very high95.5Very high70 Ų7057.9 Ų57.937%0.36630%0.303SS..EExtended strand (participates in β ladder)trans-107.6131.2177.2-64.3-174.4000110.7V98 C144L69-V98 HydrophobicContact CB-CB 3.76Å; L69-V98 HydrophobicContact CB-CG2 3.79Å; L69-V98 PolarHBondContact O-N 3.37Å; L69-C144 HydrophobicContact CD2-CB 3.76Å
70D98.4Very high95.8Very high8 Ų859.3 Ų59.34%0.04331%0.312CS..EExtended strand (participates in β ladder)trans-123.2139.9173.2170.2-92.3000108.3R72 G96 W97 V143 C144 K145 I146D70-R72 IonicContact OD1-CZ 3.87Å; D70-R72 IonicContact OD1-NE 3.46Å; D70-R72 PolarHBondContact OD1-NE 3.35Å; D70-R72 IonicContact OD1-NH2 2.67Å; D70-R72 IonicContact OD2-CZ 2.75Å; D70-R72 IonicContact OD2-NE 3.87Å; D70-R72 PolarHBondContact OD2-NE 3.37Å; D70-R72 IonicContact OD2-NH2 3.9Å; D70-R72 PolarHBondContact OD2-NH2 2.87Å; D70-G96 WeakPolarHBondContact CA-O 3.4Å; D70-W97 HydrophobicContact CB-CE3 4.3Å; D70-W97 HydrophobicContact CB-CZ3 4.37Å; D70-V143 HydrophobicContact CB-CG1 3.68Å; D70-C144 PolarHBondContact N-O 3.19Å; D70-K145 HydrophobicContact CB-CG 4.18Å; D70-K145 CarbonylContact O-C 3.57Å; D70-K145 WeakPolarHBondContact O-CA 3.48Å; D70-K145 IonicContact OD1-NZ 2.75Å; D70-K145 PolarHBondContact OD1-NZ 2.9Å; D70-K145 IonicContact OD2-NZ 3.03Å; D70-I146 PolarHBondContact O-N 3.22Å
71T98.7Very high96.2Very high0 Ų054.5 Ų54.50%029%0.29CS..EExtended strand (participates in β ladder)trans-121.3145.8176.3-167.20000111.6G95 G96 V98 N107 T108 I146T71-G95 CarbonylContact O-C 3.6Å; T71-G95 VanDerWaalsContact O-CA 3.29Å; T71-G95 WeakPolarHBondContact O-CA 3.43Å; T71-G96 PolarHBondContact N-O 2.88Å; T71-G96 PolarHBondContact O-N 3.07Å; T71-V98 HydrophobicContact CG2-CG2 4.13Å; T71-N107 HydrophobicContact CG2-CB 4.03Å; T71-T108 PolarHBondContact OG1-OG1 2.79Å; T71-I146 CarbonylContact C-O 3.59Å; T71-I146 VanDerWaalsContact CA-O 3.3Å; T71-I146 WeakPolarHBondContact CA-O 3.29Å; T71-I146 PolarHBondContact OG1-O 3.18Å
72R98.8Very high96.7Very high11 Ų1150.3 Ų50.34%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-134.5122.6-179.2-61.2-67163.7-176.7-13.2110.3D70 L93 P94 G95 I146 F147 V148D70-R72 IonicContact OD1-CZ 3.87Å; D70-R72 IonicContact OD1-NE 3.46Å; D70-R72 PolarHBondContact OD1-NE 3.35Å; D70-R72 IonicContact OD1-NH2 2.67Å; D70-R72 IonicContact OD2-CZ 2.75Å; D70-R72 IonicContact OD2-NE 3.87Å; D70-R72 PolarHBondContact OD2-NE 3.37Å; D70-R72 IonicContact OD2-NH2 3.9Å; D70-R72 PolarHBondContact OD2-NH2 2.87Å; R72-L93 HydrophobicContact CB-CB 4.11Å; R72-L93 HydrophobicContact CB-CD1 4.25Å; R72-L93 PolarHBondContact NH1-O 3.12Å; R72-L93 VanDerWaalsContact NH1-O 3.15Å; R72-P94 CarbonylContact C-O 3.56Å; R72-P94 WeakPolarHBondContact CA-O 3.38Å; R72-G95 PolarHBondContact NH1-O 3.29Å; R72-G95 PolarHBondContact NH2-O 3.32Å; R72-I146 PolarHBondContact N-O 3.32Å; R72-F147 HydrophobicContact CB-CD1 3.76Å; R72-F147 HydrophobicContact CB-CE1 3.99Å; R72-F147 HydrophobicContact CB-CG 4.49Å; R72-F147 HydrophobicContact CG-CD1 4.37Å; R72-F147 HydrophobicContact CG-CE1 4.12Å; R72-F147 CarbonylContact O-C 3.56Å; R72-F147 WeakPolarHBondContact O-CA 3.37Å; R72-V148 PolarHBondContact O-N 3.05Å
73A98.9Very high97.1Very high1 Ų144.2 Ų44.21%0.00823%0.233CC..EExtended strand (participates in β ladder)trans-84.1127.4177.400000110.6I75 P94 T108 T112 V148A73-I75 HydrophobicContact CB-CD1 4.2Å; A73-I75 HydrophobicContact CB-CG1 4.38Å; A73-P94 HydrophobicContact CB-CB 4.41Å; A73-P94 PolarHBondContact N-O 2.96Å; A73-T108 HydrophobicContact CB-CG2 3.78Å; A73-T112 WeakPolarHBondContact CB-OG1 3.39Å; A73-V148 WeakPolarHBondContact CA-O 3.41Å
74A98.9Very high97.3Very high0 Ų042.9 Ų42.90%022%0.219CC..EExtended strand (participates in β ladder)trans-105.3112.6167.100000108.6F76 I81 I126 V148 E149 C150 C190A74-F76 HydrophobicContact CB-CE2 3.94Å; A74-F76 HydrophobicContact CB-CZ 4.35Å; A74-I81 HydrophobicContact CB-CD1 3.94Å; A74-I126 HydrophobicContact CB-CD1 3.44Å; A74-I126 VanDerWaalsContact CB-CD1 3.44Å; A74-V148 PolarHBondContact N-O 3.45Å; A74-E149 WeakPolarHBondContact O-CA 3.37Å; A74-C150 PolarHBondContact O-N 2.64Å; A74-C190 HydrophobicContact CB-CB 3.9Å
75I98.8Very high97.5Very high0 Ų037.5 Ų37.50%020%0.2CC..EExtended strand (participates in β ladder)trans-118.2129.3-177.1-56.1147.8000107.8A73 I81 L82 T112 V120 C150 L152 W168A73-I75 HydrophobicContact CB-CD1 4.2Å; A73-I75 HydrophobicContact CB-CG1 4.38Å; I75-I81 CarbonylContact O-C 3.59Å; I75-I81 WeakPolarHBondContact O-CA 3.4Å; I75-L82 HydrophobicContact CB-CB 4.1Å; I75-L82 HydrophobicContact CD1-CD2 3.78Å; I75-L82 PolarHBondContact O-N 2.99Å; I75-T112 HydrophobicContact CD1-CG2 3.68Å; I75-V120 HydrophobicContact CD1-CG1 3.78Å; I75-V120 HydrophobicContact CG1-CG1 4.04Å; I75-C150 HydrophobicContact CG1-CB 3.83Å; I75-L152 HydrophobicContact CG2-CB 3.98Å; I75-W168 HydrophobicContact CG2-CH2 3.94Å; I75-W168 HydrophobicContact CG2-CZ3 4.28Å; I75-W168 WeakPolarHBondContact O-CZ3 3.28Å
76F98.6Very high97.6Very high24 Ų2437.7 Ų37.711%0.10520%0.198CC..EExtended strand (participates in β ladder)trans-114.3140.5-174.7-65.9-83.2000112.6A74 C80 I81 E149 C190 F191 H194A74-F76 HydrophobicContact CB-CE2 3.94Å; A74-F76 HydrophobicContact CB-CZ 4.35Å; F76-C80 VanDerWaalsContact CA-O 3.31Å; F76-C80 WeakPolarHBondContact CA-O 3.3Å; F76-I81 HydrophobicContact CD1-CB 4.13Å; F76-I81 HydrophobicContact CD1-CG1 4.34Å; F76-I81 HydrophobicContact CE1-CB 3.84Å; F76-I81 HydrophobicContact CE1-CD1 3.89Å; F76-I81 HydrophobicContact CE1-CG1 3.93Å; F76-I81 HydrophobicContact CE2-CD1 4.48Å; F76-I81 HydrophobicContact CZ-CD1 3.74Å; F76-I81 HydrophobicContact CZ-CG1 4.15Å; F76-E149 HydrophobicContact CD2-CG 4.29Å; F76-E149 HydrophobicContact CE2-CG 4.28Å; F76-C190 HydrophobicContact CZ-CB 3.93Å; F76-C190 WeakPolarHBondContact CZ-O 3.3Å; F76-F191 HydrophobicContact CD1-CD1 4.25Å; F76-F191 HydrophobicContact CD1-CE1 4.03Å; F76-F191 AromaticContact CE1-CD1 3.6Å; F76-F191 HydrophobicContact CE1-CD1 3.6Å; F76-F191 HydrophobicContact CE1-CD2 4.33Å; F76-F191 AromaticContact CE1-CE1 3.67Å; F76-F191 HydrophobicContact CE1-CE1 3.67Å; F76-F191 HydrophobicContact CE1-CE2 4.38Å; F76-F191 AromaticContact CE1-CG 3.96Å; F76-F191 HydrophobicContact CE1-CG 3.96Å; F76-F191 HydrophobicContact CE1-CZ 4.07Å; F76-H194 HydrophobicContact CD1-CB 4.49Å; F76-H194 AromaticContact CD1-CD2 3.89Å; F76-H194 HydrophobicContact CD2-CB 3.87Å; F76-H194 AromaticContact CD2-CE1 3.96Å; F76-H194 AromaticContact CD2-CG 3.52Å; F76-H194 AromaticContact CD2-ND1 3.48Å; F76-H194 WeakPolarHBondContact CD2-ND1 3.41Å; F76-H194 HydrophobicContact CE1-CB 4.22Å; F76-H194 HydrophobicContact CE2-CB 3.57Å; F76-H194 AromaticContact CE2-CG 3.78Å; F76-H194 HydrophobicContact CG-CB 4.32Å; F76-H194 AromaticContact CG-CD2 3.69Å; F76-H194 AromaticContact CG-CE1 3.9Å; F76-H194 AromaticContact CG-CG 3.7Å; F76-H194 AromaticContact CG-ND1 3.83Å; F76-H194 AromaticContact CG-NE2 3.83Å; F76-H194 HydrophobicContact CZ-CB 3.75Å
77K97.3Very high97.5Very high108 Ų10838.7 Ų38.747%0.4720%0.2SC..EExtended strand (participates in β ladder)trans-149.2131170.1-175.5179.9176.1-178.10108.7N79 C80 W168K77-N79 VanDerWaalsContact C-N 3.27Å; K77-N79 PolarHBondContact O-N 3.39Å; K77-C80 PolarHBondContact N-O 2.88Å; K77-C80 WeakPolarHBondContact O-CA 3.42Å; K77-C80 WeakPolarHBondContact O-CB 3.39Å; K77-C80 PolarHBondContact O-N 2.95Å; K77-W168 HydrophobicContact CB-CD2 4.12Å; K77-W168 HydrophobicContact CB-CE3 3.66Å; K77-W168 HydrophobicContact CB-CH2 3.55Å; K77-W168 HydrophobicContact CB-CZ2 4.02Å; K77-W168 HydrophobicContact CB-CZ3 3.36Å; K77-W168 HydrophobicContact CD-CH2 4.35Å; K77-W168 HydrophobicContact CD-CZ2 4.02Å
78D96.1Very high97.4Very high139 Ų13940.1 Ų40.174%0.74320%0.204SC*.THydrogen-bonded Turntrans50.642.9176.6-55.6-42.1000113.8C80D78-C80 PolarHBondContact O-N 2.82Å
79N96.2Very high97.4Very high92 Ų9237.6 Ų37.649%0.49220%0.2SC..THydrogen-bonded Turntrans56.726.2-176.1-17258.8000114.1K77 F191 K195K77-N79 VanDerWaalsContact C-N 3.27Å; K77-N79 PolarHBondContact O-N 3.39Å; N79-F191 WeakPolarHBondContact O-CE1 3.38Å; N79-K195 VanDerWaalsContact OD1-CE 3.3Å; N79-K195 WeakPolarHBondContact OD1-CE 3.31Å
80C98.6Very high97.4Very high30 Ų3037 Ų3720%0.20320%0.197CC..EExtended strand (participates in β ladder)trans-117.8151.2169.8-61.50000109.6F76 K77 D78 W168 F169F76-C80 VanDerWaalsContact CA-O 3.31Å; F76-C80 WeakPolarHBondContact CA-O 3.3Å; K77-C80 PolarHBondContact N-O 2.88Å; K77-C80 WeakPolarHBondContact O-CA 3.42Å; K77-C80 WeakPolarHBondContact O-CB 3.39Å; K77-C80 PolarHBondContact O-N 2.95Å; D78-C80 PolarHBondContact O-N 2.82Å; C80-W168 HydrophobicContact CB-CB 3.78Å; C80-F169 CarbonylContact C-O 3.57Å; C80-F169 VanDerWaalsContact CA-O 3.24Å; C80-F169 WeakPolarHBondContact CA-O 3.4Å; C80-F169 WeakPolarHBondContact CB-O 3.34Å
81I98.8Very high97.4Very high0 Ų037.5 Ų37.50%020%0.198CC..EExtended strand (participates in β ladder)trans-103.7142.4176.2-163.7167.5000109.9A74 I75 F76 L83 L93 W168 F169 I187 C190 F191A74-I81 HydrophobicContact CB-CD1 3.94Å; I75-I81 CarbonylContact O-C 3.59Å; I75-I81 WeakPolarHBondContact O-CA 3.4Å; F76-I81 HydrophobicContact CD1-CB 4.13Å; F76-I81 HydrophobicContact CD1-CG1 4.34Å; F76-I81 HydrophobicContact CE1-CB 3.84Å; F76-I81 HydrophobicContact CE1-CD1 3.89Å; F76-I81 HydrophobicContact CE1-CG1 3.93Å; F76-I81 HydrophobicContact CE2-CD1 4.48Å; F76-I81 HydrophobicContact CZ-CD1 3.74Å; F76-I81 HydrophobicContact CZ-CG1 4.15Å; I81-L83 HydrophobicContact CG2-CD2 4.42Å; I81-L83 HydrophobicContact CG2-CG 4.4Å; I81-L93 HydrophobicContact CD1-CD2 3.55Å; I81-L93 HydrophobicContact CG1-CD2 4.1Å; I81-W168 WeakPolarHBondContact O-CA 3.38Å; I81-F169 PolarHBondContact N-O 2.85Å; I81-F169 PolarHBondContact O-N 2.86Å; I81-I187 HydrophobicContact CD1-CG2 4.5Å; I81-I187 HydrophobicContact CG2-CG2 4.1Å; I81-C190 HydrophobicContact CD1-CB 3.91Å; I81-F191 HydrophobicContact CB-CE2 3.94Å; I81-F191 HydrophobicContact CB-CZ 3.77Å; I81-F191 HydrophobicContact CG2-CE2 3.68Å; I81-F191 HydrophobicContact CG2-CZ 3.81Å
82L98.7Very high97.4Very high0 Ų037.5 Ų37.50%020%0.198CC..EExtended strand (participates in β ladder)trans-74.3130.7173.8-170.172.2000110.8I75 P94 T116 L118 I166 W168I75-L82 HydrophobicContact CB-CB 4.1Å; I75-L82 HydrophobicContact CD1-CD2 3.78Å; I75-L82 PolarHBondContact O-N 2.99Å; L82-P94 HydrophobicContact CD2-CG 4.3Å; L82-T116 HydrophobicContact CD2-CG2 4.05Å; L82-L118 HydrophobicContact CD2-CD1 3.63Å; L82-I166 HydrophobicContact CD1-CB 4Å; L82-I166 HydrophobicContact CD1-CD1 4.02Å; L82-I166 HydrophobicContact CD1-CG1 4.2Å; L82-W168 HydrophobicContact CB-CE3 4.04Å; L82-W168 HydrophobicContact CB-CH2 4.06Å; L82-W168 HydrophobicContact CB-CZ3 3.79Å; L82-W168 HydrophobicContact CD1-CD2 3.98Å; L82-W168 HydrophobicContact CD1-CE3 4.34Å; L82-W168 HydrophobicContact CD1-CH2 4.18Å; L82-W168 HydrophobicContact CD1-CZ2 3.8Å; L82-W168 HydrophobicContact CD1-CZ3 4.42Å
83L98.8Very high97.4Very high0 Ų037 Ų370%020%0.196CC..EExtended strand (participates in β ladder)trans-125.2153.3167-58.2177.8000110.3I81 W91 S92 L93 I166 D167 F169 P175 L177 I187I81-L83 HydrophobicContact CG2-CD2 4.42Å; I81-L83 HydrophobicContact CG2-CG 4.4Å; L83-W91 HydrophobicContact CB-CB 4.34Å; L83-W91 HydrophobicContact CB-CE3 3.76Å; L83-W91 HydrophobicContact CD1-CB 4.25Å; L83-W91 WeakPolarHBondContact O-CZ3 3.2Å; L83-S92 CarbonylContact C-O 3.56Å; L83-S92 VanDerWaalsContact CA-O 3.29Å; L83-S92 WeakPolarHBondContact CA-O 3.41Å; L83-S92 WeakPolarHBondContact CB-O 3.38Å; L83-L93 HydrophobicContact CD2-CD2 3.78Å; L83-L93 HydrophobicContact CD2-CG 4.07Å; L83-I166 WeakPolarHBondContact O-CA 3.3Å; L83-D167 PolarHBondContact N-O 3.06Å; L83-D167 PolarHBondContact O-N 3.4Å; L83-D167 VanDerWaalsContact O-N 3.15Å; L83-F169 HydrophobicContact CB-CD2 3.89Å; L83-F169 HydrophobicContact CB-CE2 3.96Å; L83-F169 HydrophobicContact CD1-CB 4.43Å; L83-F169 HydrophobicContact CD1-CD2 3.63Å; L83-F169 HydrophobicContact CD1-CE2 4.18Å; L83-F169 HydrophobicContact CD1-CG 4.21Å; L83-F169 HydrophobicContact CG-CD2 3.85Å; L83-F169 HydrophobicContact CG-CE2 4.4Å; L83-P175 HydrophobicContact CD1-CG 3.82Å; L83-L177 HydrophobicContact CD1-CD2 3.99Å; L83-I187 HydrophobicContact CD1-CD1 4.26Å; L83-I187 HydrophobicContact CD2-CD1 4.09Å
84V98.2Very high97.4Very high0 Ų036.9 Ų36.90%020%0.196CC..EExtended strand (participates in β ladder)trans-103.5142.7171.4-69.40000110.1W91 S92 P94 E115 T116 T163 I166V84-W91 VanDerWaalsContact C-CE3 3.44Å; V84-W91 CarbonylContact O-C 3.6Å; V84-W91 VanDerWaalsContact O-CA 3.23Å; V84-W91 WeakPolarHBondContact O-CA 3.38Å; V84-S92 WeakPolarHBondContact CG2-O 3.38Å; V84-S92 PolarHBondContact N-O 2.95Å; V84-S92 PolarHBondContact O-N 3.11Å; V84-P94 HydrophobicContact CG1-CB 4.41Å; V84-P94 HydrophobicContact CG1-CG 3.99Å; V84-E115 HydrophobicContact CG1-CB 4.18Å; V84-T116 HydrophobicContact CG1-CG2 3.52Å; V84-T163 HydrophobicContact CB-CG2 3.76Å; V84-T163 HydrophobicContact CG1-CG2 4.02Å; V84-T163 HydrophobicContact CG2-CG2 4.2Å; V84-I166 HydrophobicContact CB-CG2 4.47Å; V84-I166 HydrophobicContact CG1-CG2 3.66Å
85Q98Very high97.3Very high30 Ų3037 Ų3714%0.1420%0.197CC..EExtended strand (participates in β ladder)trans-100.4127.4170.8-164.2-178.33800110.6G89 L90 W91 T163 L164 Q165Q85-G89 PolarHBondContact NE2-O 3.48Å; Q85-L90 WeakPolarHBondContact CA-O 3.36Å; Q85-W91 HydrophobicContact CB-CD2 3.72Å; Q85-W91 HydrophobicContact CB-CE3 3.86Å; Q85-W91 HydrophobicContact CB-CG 4.39Å; Q85-W91 HydrophobicContact CB-CH2 3.86Å; Q85-W91 HydrophobicContact CB-CZ2 3.69Å; Q85-W91 HydrophobicContact CB-CZ3 3.92Å; Q85-W91 HydrophobicContact CG-CD2 4.07Å; Q85-W91 HydrophobicContact CG-CG 4.36Å; Q85-W91 HydrophobicContact CG-CZ2 4.04Å; Q85-T163 CarbonylContact O-C 3.58Å; Q85-T163 WeakPolarHBondContact O-CA 3.5Å; Q85-L164 PolarHBondContact O-N 3.46Å; Q85-Q165 HydrophobicContact CB-CG 3.93Å; Q85-Q165 PolarHBondContact N-O 2.87Å
86E94.4Very high97.2Very high33 Ų3337.4 Ų37.415%0.15420%0.201CC..EExtended strand (participates in β ladder)trans-90.5174.8177.9-70.4173.1-129.600112.2D88 G89 L90 S92 L164 K181E86-D88 PolarHBondContact O-N 2.99Å; E86-D88 VanDerWaalsContact O-N 3.1Å; E86-G89 PolarHBondContact O-N 2.85Å; E86-L90 PolarHBondContact N-O 3.25Å; E86-S92 PolarHBondContact OE1-OG 2.84Å; E86-L164 VanDerWaalsContact O-CD1 3.32Å; E86-L164 WeakPolarHBondContact O-CD1 3.45Å; E86-K181 WeakPolarHBondContact OE1-CD 3.45Å; E86-K181 VanDerWaalsContact OE1-CE 3.27Å; E86-K181 WeakPolarHBondContact OE1-CE 3.35Å; E86-K181 IonicContact OE1-NZ 3.75Å; E86-K181 PolarHBondContact OE1-NZ 2.85Å; E86-K181 WeakPolarHBondContact OE2-CE 3.04Å; E86-K181 IonicContact OE2-NZ 3.8Å; E86-K181 PolarHBondContact OE2-NZ 2.91Å
87N92.7Very high97.2Very high113 Ų11341.6 Ų41.660%0.60422%0.216SC*.THydrogen-bonded Turntrans-59.8-20.3-178.8-71.3-50.2000114.5G89 I161 L164N87-G89 VanDerWaalsContact C-N 3.28Å; N87-I161 PolarHBondContact ND2-O 3.35Å; N87-L164 WeakPolarHBondContact OD1-CD2 3.48Å
88D93.8Very high97.3Very high103 Ų10337.6 Ų37.655%0.55120%0.201SC*.THydrogen-bonded Turntrans-83.3-2.8174.468.6-1.3000113.5E86 L90E86-D88 PolarHBondContact O-N 2.99Å; E86-D88 VanDerWaalsContact O-N 3.1Å; D88-L90 VanDerWaalsContact C-N 3.28Å; D88-L90 PolarHBondContact O-N 2.99Å; D88-L90 WeakPolarHBondContact OD1-CB 3.27Å; D88-L90 PolarHBondContact OD1-N 3.06Å
89G95.8Very high97.3Very high27 Ų2734 Ų3428%0.27818%0.182SC..SBendtrans80.81.1-179.200000114.5Q85 E86 N87Q85-G89 PolarHBondContact NE2-O 3.48Å; E86-G89 PolarHBondContact O-N 2.85Å; N87-G89 VanDerWaalsContact C-N 3.28Å
90L97.7Very high97.2Very high59 Ų5938.1 Ų38.131%0.30920%0.202SC..  trans-88.7158.5175.9-59179.6000111.2Q85 E86 D88 P176 A178Q85-L90 WeakPolarHBondContact CA-O 3.36Å; E86-L90 PolarHBondContact N-O 3.25Å; D88-L90 VanDerWaalsContact C-N 3.28Å; D88-L90 PolarHBondContact O-N 2.99Å; D88-L90 WeakPolarHBondContact OD1-CB 3.27Å; D88-L90 PolarHBondContact OD1-N 3.06Å; L90-P176 HydrophobicContact CD2-CB 3.91Å; L90-A178 HydrophobicContact CB-CB 3.87Å; L90-A178 HydrophobicContact CD1-CB 4.44Å
91W98.5Very high97.1Very high17 Ų1742.9 Ų42.96%0.06423%0.226CC..EExtended strand (participates in β ladder)trans-112.9141.3-173.6-66.377.1000112.8L83 V84 Q85 Q165 D167 F169 P175 P176 L177 A178L83-W91 HydrophobicContact CB-CB 4.34Å; L83-W91 HydrophobicContact CB-CE3 3.76Å; L83-W91 HydrophobicContact CD1-CB 4.25Å; L83-W91 WeakPolarHBondContact O-CZ3 3.2Å; V84-W91 VanDerWaalsContact C-CE3 3.44Å; V84-W91 CarbonylContact O-C 3.6Å; V84-W91 VanDerWaalsContact O-CA 3.23Å; V84-W91 WeakPolarHBondContact O-CA 3.38Å; Q85-W91 HydrophobicContact CB-CD2 3.72Å; Q85-W91 HydrophobicContact CB-CE3 3.86Å; Q85-W91 HydrophobicContact CB-CG 4.39Å; Q85-W91 HydrophobicContact CB-CH2 3.86Å; Q85-W91 HydrophobicContact CB-CZ2 3.69Å; Q85-W91 HydrophobicContact CB-CZ3 3.92Å; Q85-W91 HydrophobicContact CG-CD2 4.07Å; Q85-W91 HydrophobicContact CG-CG 4.36Å; Q85-W91 HydrophobicContact CG-CZ2 4.04Å; W91-Q165 HydrophobicContact CH2-CG 3.82Å; W91-Q165 HydrophobicContact CZ2-CG 4.22Å; W91-D167 HydrophobicContact CH2-CB 3.65Å; W91-D167 HydrophobicContact CZ3-CB 3.85Å; W91-F169 AromaticContact CD2-CE2 3.99Å; W91-F169 HydrophobicContact CD2-CE2 3.99Å; W91-F169 AromaticContact CD2-CZ 3.98Å; W91-F169 HydrophobicContact CD2-CZ 3.98Å; W91-F169 AromaticContact CE2-CZ 3.97Å; W91-F169 AromaticContact CE3-CE2 3.53Å; W91-F169 HydrophobicContact CE3-CE2 3.53Å; W91-F169 AromaticContact CE3-CZ 3.91Å; W91-F169 HydrophobicContact CE3-CZ 3.91Å; W91-F169 HydrophobicContact CH2-CE2 4.01Å; W91-F169 AromaticContact CH2-CZ 3.8Å; W91-F169 HydrophobicContact CH2-CZ 3.8Å; W91-F169 HydrophobicContact CZ2-CE2 4.45Å; W91-F169 AromaticContact CZ2-CZ 3.9Å; W91-F169 HydrophobicContact CZ2-CZ 3.9Å; W91-F169 AromaticContact CZ3-CE2 3.55Å; W91-F169 HydrophobicContact CZ3-CE2 3.55Å; W91-F169 AromaticContact CZ3-CZ 3.83Å; W91-F169 HydrophobicContact CZ3-CZ 3.83Å; W91-P175 HydrophobicContact CB-CB 4.33Å; W91-P175 HydrophobicContact CB-CG 3.55Å; W91-P175 HydrophobicContact CD2-CB 4.34Å; W91-P175 HydrophobicContact CD2-CG 3.97Å; W91-P175 HydrophobicContact CG-CB 3.82Å; W91-P175 HydrophobicContact CG-CG 3.44Å; W91-P175 VanDerWaalsContact CG-CG 3.44Å; W91-P176 PolarHBondContact N-O 3.21Å; W91-L177 HydrophobicContact CB-CD2 4.41Å; W91-L177 CarbonylContact O-C 3.5Å; W91-L177 WeakPolarHBondContact O-CA 3.15Å; W91-A178 PolarHBondContact O-N 3.18Å
92S98.3Very high97.1Very high0 Ų045.7 Ų45.70%024%0.239CC..EExtended strand (participates in β ladder)trans-141.7162.8178.566.10000113.4L83 V84 E86 N182L83-S92 CarbonylContact C-O 3.56Å; L83-S92 VanDerWaalsContact CA-O 3.29Å; L83-S92 WeakPolarHBondContact CA-O 3.41Å; L83-S92 WeakPolarHBondContact CB-O 3.38Å; V84-S92 WeakPolarHBondContact CG2-O 3.38Å; V84-S92 PolarHBondContact N-O 2.95Å; V84-S92 PolarHBondContact O-N 3.11Å; E86-S92 PolarHBondContact OE1-OG 2.84Å; S92-N182 WeakPolarHBondContact CA-OD1 3.01Å; S92-N182 WeakPolarHBondContact CB-OD1 3.37Å
93L98.7Very high97Very high0 Ų048.3 Ų48.30%026%0.257CS..  trans-66.8136.4166-70.5167.1000108.8R72 I81 L83 G95 F147 N182R72-L93 HydrophobicContact CB-CB 4.11Å; R72-L93 HydrophobicContact CB-CD1 4.25Å; R72-L93 PolarHBondContact NH1-O 3.12Å; R72-L93 VanDerWaalsContact NH1-O 3.15Å; I81-L93 HydrophobicContact CD1-CD2 3.55Å; I81-L93 HydrophobicContact CG1-CD2 4.1Å; L83-L93 HydrophobicContact CD2-CD2 3.78Å; L83-L93 HydrophobicContact CD2-CG 4.07Å; L93-G95 PolarHBondContact O-N 3.46Å; L93-F147 HydrophobicContact CD1-CD1 3.79Å; L93-F147 HydrophobicContact CD1-CE1 3.76Å; L93-N182 HydrophobicContact CD1-CB 4.48Å; L93-N182 PolarHBondContact N-OD1 2.85Å
94P98.3Very high97Very high0 Ų050.6 Ų50.60%027%0.269CS..SBendtrans-53.1136.4175.6-21.829.1000111.1R72 A73 L82 V84 E115 T116R72-P94 CarbonylContact C-O 3.56Å; R72-P94 WeakPolarHBondContact CA-O 3.38Å; A73-P94 HydrophobicContact CB-CB 4.41Å; A73-P94 PolarHBondContact N-O 2.96Å; L82-P94 HydrophobicContact CD2-CG 4.3Å; V84-P94 HydrophobicContact CG1-CB 4.41Å; V84-P94 HydrophobicContact CG1-CG 3.99Å; P94-E115 WeakPolarHBondContact CA-OE2 3.33Å; P94-T116 HydrophobicContact CB-CG2 4.08Å; P94-T116 HydrophobicContact CG-CG2 3.83Å
95G97.9Very high97Very high2 Ų256.9 Ų56.92%0.02130%0.296CS..  trans148.7173.3175.300000115.6T71 R72 L93 E115T71-G95 CarbonylContact O-C 3.6Å; T71-G95 VanDerWaalsContact O-CA 3.29Å; T71-G95 WeakPolarHBondContact O-CA 3.43Å; R72-G95 PolarHBondContact NH1-O 3.29Å; R72-G95 PolarHBondContact NH2-O 3.32Å; L93-G95 PolarHBondContact O-N 3.46Å; G95-E115 PolarHBondContact N-OE2 3.21Å
96G96.9Very high97.1Very high9 Ų960.5 Ų60.59%0.09331%0.313CS..  trans-164.2-157.1-174.100000112.2D70 T71 E111D70-G96 WeakPolarHBondContact CA-O 3.4Å; T71-G96 PolarHBondContact N-O 2.88Å; T71-G96 PolarHBondContact O-N 3.07Å; G96-E111 WeakPolarHBondContact CA-OE2 3.26Å; G96-E111 PolarHBondContact N-OE2 2.75Å
97W97.7Very high97.3Very high111 Ų11158.9 Ų58.942%0.4231%0.305SS..BIsolated β-bridgetrans-69.7144.9178.8-61111.4000110.9K68 D70 D99 N107 Y141 V143K68-W97 HydrophobicContact CB-CE3 4.2Å; K68-W97 HydrophobicContact CB-CZ3 3.83Å; K68-W97 HydrophobicContact CD-CZ3 4.37Å; D70-W97 HydrophobicContact CB-CE3 4.3Å; D70-W97 HydrophobicContact CB-CZ3 4.37Å; W97-D99 PolarHBondContact O-N 2.7Å; W97-N107 PolarHBondContact O-OD1 3.23Å; W97-Y141 HydrophobicContact CH2-CE2 4.09Å; W97-V143 HydrophobicContact CH2-CG1 4.26Å; W97-V143 HydrophobicContact CH2-CG2 3.7Å; W97-V143 HydrophobicContact CZ3-CB 4.36Å; W97-V143 HydrophobicContact CZ3-CG1 3.67Å; W97-V143 HydrophobicContact CZ3-CG2 3.73Å
98V98.4Very high97.5Very high24 Ų2453.6 Ų53.615%0.14528%0.277CS..  trans-82.4113.5171.6-178.90000108.5L69 T71 I104 N107L69-V98 HydrophobicContact CB-CB 3.76Å; L69-V98 HydrophobicContact CB-CG2 3.79Å; L69-V98 PolarHBondContact O-N 3.37Å; T71-V98 HydrophobicContact CG2-CG2 4.13Å; V98-I104 HydrophobicContact CG1-CG1 4.46Å; V98-I104 HydrophobicContact CG2-CG1 4.41Å; V98-N107 HydrophobicContact CG1-CB 4.42Å; V98-N107 VanDerWaalsContact CG1-ND2 3.34Å; V98-N107 WeakPolarHBondContact CG1-ND2 3.35Å
99D97.5Very high97.8Very high64 Ų6450.4 Ų50.434%0.34226%0.261SS..  trans-58.8141.7176.1-73.8-38.6000112.3W97 N101 Q102 N107 K110W97-D99 PolarHBondContact O-N 2.7Å; D99-N101 PolarHBondContact O-N 2.95Å; D99-Q102 HydrophobicContact CB-CB 4.2Å; D99-Q102 HydrophobicContact CB-CG 4.43Å; D99-Q102 PolarHBondContact O-N 2.82Å; D99-Q102 PolarHBondContact OD2-NE2 2.77Å; D99-N107 PolarHBondContact N-ND2 3.12Å; D99-N107 VanDerWaalsContact N-ND2 3.15Å; D99-N107 PolarHBondContact N-OD1 2.85Å; D99-N107 PolarHBondContact OD2-OD1 3.11Å; D99-K110 IonicContact OD2-NZ 2.68Å; D99-K110 PolarHBondContact OD2-NZ 2.71Å
100I94.3Very high97.9Very high178 Ų17851 Ų5191%0.91326%0.256SS*.THydrogen-bonded Turntrans-58-27.1-172.3-169.459.3000114.6
101N96.1Very high97.9Very high131 Ų13149.2 Ų49.270%0.70125%0.246SC*.THydrogen-bonded Turntrans-107.111.2-175.767.7-33.1000113.2D99D99-N101 PolarHBondContact O-N 2.95Å
102Q97.5Very high97.9Very high59 Ų5948.4 Ų48.428%0.27624%0.243SC..SBendtrans-130.6147.2-176.8-73.6177.873.800110.6D99 E106 N107D99-Q102 HydrophobicContact CB-CB 4.2Å; D99-Q102 HydrophobicContact CB-CG 4.43Å; D99-Q102 PolarHBondContact O-N 2.82Å; D99-Q102 PolarHBondContact OD2-NE2 2.77Å; Q102-E106 HydrophobicContact CB-CB 4.21Å; Q102-N107 WeakPolarHBondContact CB-ND2 3.45Å
103S98.3Very high97.8Very high54 Ų5451.7 Ų51.738%0.37826%0.26SS..  trans-70.5165.9173.7670000111.7K105 E106 N107S103-K105 VanDerWaalsContact C-N 3.26Å; S103-K105 PolarHBondContact O-N 3.3Å; S103-E106 VanDerWaalsContact CB-OE2 3.29Å; S103-E106 WeakPolarHBondContact CB-OE2 3.09Å; S103-E106 PolarHBondContact N-OE2 3.1Å; S103-E106 PolarHBondContact O-N 3.38Å; S103-E106 VanDerWaalsContact OG-CD 3.32Å; S103-E106 WeakPolarHBondContact OG-CG 3.39Å; S103-E106 PolarHBondContact OG-N 3.14Å; S103-E106 PolarHBondContact OG-OE2 3.39Å; S103-N107 PolarHBondContact O-N 2.82Å; S103-N107 PolarHBondContact O-ND2 2.86Å; S103-N107 VanDerWaalsContact O-ND2 3.1Å
104I98.4Very high97.7Very high49 Ų4956 Ų5625%0.25128%0.28SS..Hα-helixtrans-58.3-41.4172.7-64.6152.4000110.5V98 N107 T108 I146 V148V98-I104 HydrophobicContact CG1-CG1 4.46Å; V98-I104 HydrophobicContact CG2-CG1 4.41Å; I104-N107 PolarHBondContact O-N 2.91Å; I104-T108 WeakPolarHBondContact O-CB 3.43Å; I104-T108 PolarHBondContact O-N 2.84Å; I104-T108 PolarHBondContact O-OG1 2.84Å; I104-I146 HydrophobicContact CD1-CD1 3.3Å; I104-I146 HydrophobicContact CG1-CD1 3.92Å; I104-I146 HydrophobicContact CG2-CB 4.4Å; I104-I146 HydrophobicContact CG2-CG2 4.05Å; I104-V148 HydrophobicContact CG2-CG2 4.05Å
105K98.4Very high97.6Very high131 Ų13156.2 Ų56.257%0.5728%0.281SS*.Hα-helixtrans-62.3-47.7178.6-74-167.3175-1650111.5S103 T108 V109 P122S103-K105 VanDerWaalsContact C-N 3.26Å; S103-K105 PolarHBondContact O-N 3.3Å; K105-T108 PolarHBondContact O-N 3.12Å; K105-V109 WeakPolarHBondContact O-CG2 3.39Å; K105-V109 PolarHBondContact O-N 3.12Å; K105-V109 VanDerWaalsContact O-N 3.15Å; K105-P122 HydrophobicContact CB-CB 4.48Å; K105-P122 HydrophobicContact CB-CG 4.33Å; K105-P122 HydrophobicContact CD-CB 4.44Å; K105-P122 HydrophobicContact CG-CB 4.12Å
106E98.6Very high97.5Very high106 Ų10656.1 Ų56.150%0.49528%0.28SS..Hα-helixtrans-62-46.8179.3-73159.8143.100111.3Q102 S103 T108 V109 K110Q102-E106 HydrophobicContact CB-CB 4.21Å; S103-E106 VanDerWaalsContact CB-OE2 3.29Å; S103-E106 WeakPolarHBondContact CB-OE2 3.09Å; S103-E106 PolarHBondContact N-OE2 3.1Å; S103-E106 PolarHBondContact O-N 3.38Å; S103-E106 VanDerWaalsContact OG-CD 3.32Å; S103-E106 WeakPolarHBondContact OG-CG 3.39Å; S103-E106 PolarHBondContact OG-N 3.14Å; S103-E106 PolarHBondContact OG-OE2 3.39Å; E106-T108 PolarHBondContact O-N 3.25Å; E106-V109 PolarHBondContact O-N 3.3Å; E106-K110 WeakPolarHBondContact O-CB 3.39Å; E106-K110 PolarHBondContact O-N 3.41Å
107N98.7Very high97.5Very high0 Ų057 Ų570%029%0.289CS..Hα-helixtrans-63.6-40.3176.4-82.1-78.8000112.6T71 W97 V98 D99 Q102 S103 I104 V109 K110 E111T71-N107 HydrophobicContact CG2-CB 4.03Å; W97-N107 PolarHBondContact O-OD1 3.23Å; V98-N107 HydrophobicContact CG1-CB 4.42Å; V98-N107 VanDerWaalsContact CG1-ND2 3.34Å; V98-N107 WeakPolarHBondContact CG1-ND2 3.35Å; D99-N107 PolarHBondContact N-ND2 3.12Å; D99-N107 VanDerWaalsContact N-ND2 3.15Å; D99-N107 PolarHBondContact N-OD1 2.85Å; D99-N107 PolarHBondContact OD2-OD1 3.11Å; Q102-N107 WeakPolarHBondContact CB-ND2 3.45Å; S103-N107 PolarHBondContact O-N 2.82Å; S103-N107 PolarHBondContact O-ND2 2.86Å; S103-N107 VanDerWaalsContact O-ND2 3.1Å; I104-N107 PolarHBondContact O-N 2.91Å; N107-V109 PolarHBondContact O-N 3.18Å; N107-K110 PolarHBondContact O-N 2.98Å; N107-K110 PolarHBondContact OD1-NZ 3.47Å; N107-E111 WeakPolarHBondContact O-CB 3.08Å; N107-E111 WeakPolarHBondContact O-CG 3.15Å; N107-E111 PolarHBondContact O-N 3.24Å
108T98.7Very high97.5Very high2 Ų252.1 Ų52.11%0.01227%0.271CS..Hα-helixtrans-56.5-43.9177.3-56.50000110.7T71 A73 I104 K105 E106 T112 V148 C150T71-T108 PolarHBondContact OG1-OG1 2.79Å; A73-T108 HydrophobicContact CB-CG2 3.78Å; I104-T108 WeakPolarHBondContact O-CB 3.43Å; I104-T108 PolarHBondContact O-N 2.84Å; I104-T108 PolarHBondContact O-OG1 2.84Å; K105-T108 PolarHBondContact O-N 3.12Å; E106-T108 PolarHBondContact O-N 3.25Å; T108-T112 VanDerWaalsContact O-CB 3.3Å; T108-T112 WeakPolarHBondContact O-CB 3.39Å; T108-T112 PolarHBondContact O-N 3.06Å; T108-T112 PolarHBondContact O-OG1 2.89Å; T108-V148 HydrophobicContact CG2-CB 4Å; T108-V148 HydrophobicContact CG2-CG1 4.18Å; T108-C150 VanDerWaalsContact CG2-SG 3.5Å
109V98.6Very high97.5Very high35 Ų3553.6 Ų53.621%0.21228%0.28CS..Hα-helixtrans-68.6-48.6177.6175.70000111K105 E106 N107 T112 I113 V120 P122K105-V109 WeakPolarHBondContact O-CG2 3.39Å; K105-V109 PolarHBondContact O-N 3.12Å; K105-V109 VanDerWaalsContact O-N 3.15Å; E106-V109 PolarHBondContact O-N 3.3Å; N107-V109 PolarHBondContact O-N 3.18Å; V109-T112 PolarHBondContact O-N 3.37Å; V109-I113 HydrophobicContact CG1-CD1 3.65Å; V109-I113 HydrophobicContact CG1-CG1 4.42Å; V109-I113 VanDerWaalsContact O-CG1 3.31Å; V109-I113 WeakPolarHBondContact O-CG1 3.4Å; V109-I113 PolarHBondContact O-N 2.75Å; V109-V120 HydrophobicContact CG2-CG2 4.41Å; V109-P122 HydrophobicContact CG2-CG 3.52Å
110K98Very high97.5Very high40 Ų4050.9 Ų50.917%0.17427%0.266CS..Hα-helixtrans-54.2-57.3-180-172.4-156.481.3-157.80111.4D99 E106 N107 T112 I113 E114D99-K110 IonicContact OD2-NZ 2.68Å; D99-K110 PolarHBondContact OD2-NZ 2.71Å; E106-K110 WeakPolarHBondContact O-CB 3.39Å; E106-K110 PolarHBondContact O-N 3.41Å; N107-K110 PolarHBondContact O-N 2.98Å; N107-K110 PolarHBondContact OD1-NZ 3.47Å; K110-T112 VanDerWaalsContact C-N 3.32Å; K110-T112 PolarHBondContact O-N 3.27Å; K110-I113 PolarHBondContact O-N 2.83Å; K110-I113 VanDerWaalsContact O-N 3.13Å; K110-E114 VanDerWaalsContact CE-OE2 3.28Å; K110-E114 WeakPolarHBondContact CE-OE2 3.36Å; K110-E114 WeakPolarHBondContact O-CG 3.28Å; K110-E114 PolarHBondContact O-N 3.2Å
111E97.8Very high97.7Very high21 Ų2147.3 Ų47.310%0.09825%0.246CC..Hα-helixtrans-62.6-39.9-178.1-61.3-76.4153.100111.1G96 N107 I113 E114 E115G96-E111 WeakPolarHBondContact CA-OE2 3.26Å; G96-E111 PolarHBondContact N-OE2 2.75Å; N107-E111 WeakPolarHBondContact O-CB 3.08Å; N107-E111 WeakPolarHBondContact O-CG 3.15Å; N107-E111 PolarHBondContact O-N 3.24Å; E111-I113 VanDerWaalsContact C-N 3.35Å; E111-I113 PolarHBondContact O-N 3.37Å; E111-E114 PolarHBondContact O-N 3.39Å; E111-E115 WeakPolarHBondContact O-CB 3.35Å; E111-E115 PolarHBondContact O-N 2.88Å
112T98.1Very high97.9Very high0 Ų041.9 Ų41.90%022%0.217CC..Hα-helixtrans-61-44.5175.3-59.20000111.2A73 I75 T108 V109 K110 T116 V120A73-T112 WeakPolarHBondContact CB-OG1 3.39Å; I75-T112 HydrophobicContact CD1-CG2 3.68Å; T108-T112 VanDerWaalsContact O-CB 3.3Å; T108-T112 WeakPolarHBondContact O-CB 3.39Å; T108-T112 PolarHBondContact O-N 3.06Å; T108-T112 PolarHBondContact O-OG1 2.89Å; V109-T112 PolarHBondContact O-N 3.37Å; K110-T112 VanDerWaalsContact C-N 3.32Å; K110-T112 PolarHBondContact O-N 3.27Å; T112-T116 HydrophobicContact CG2-CG2 4.44Å; T112-T116 WeakPolarHBondContact O-CA 3.43Å; T112-T116 VanDerWaalsContact O-CB 3.28Å; T112-T116 WeakPolarHBondContact O-CB 3.45Å; T112-T116 WeakPolarHBondContact O-CG2 3.46Å; T112-T116 PolarHBondContact O-N 3.26Å; T112-T116 PolarHBondContact O-OG1 2.94Å; T112-V120 HydrophobicContact CG2-CB 4.44Å; T112-V120 HydrophobicContact CG2-CG1 3.72Å; T112-V120 HydrophobicContact CG2-CG2 3.83Å
113I96.9Very high97.9Very high70 Ų7043 Ų4336%0.35923%0.225SC..Hα-helixtrans-65.2-44.4178.4-68.4166.4000110.5V109 K110 E111 G117 L118V109-I113 HydrophobicContact CG1-CD1 3.65Å; V109-I113 HydrophobicContact CG1-CG1 4.42Å; V109-I113 VanDerWaalsContact O-CG1 3.31Å; V109-I113 WeakPolarHBondContact O-CG1 3.4Å; V109-I113 PolarHBondContact O-N 2.75Å; K110-I113 PolarHBondContact O-N 2.83Å; K110-I113 VanDerWaalsContact O-N 3.13Å; E111-I113 VanDerWaalsContact C-N 3.35Å; E111-I113 PolarHBondContact O-N 3.37Å; I113-G117 VanDerWaalsContact O-CA 3.24Å; I113-G117 WeakPolarHBondContact O-CA 3.36Å; I113-G117 PolarHBondContact O-N 3.35Å; I113-L118 WeakPolarHBondContact CG1-O 3.2Å
114E95.9Very high97.9Very high90 Ų9043.8 Ų43.842%0.42122%0.221SC..Hα-helixtrans-63-45.7-178.8-73.6171.1163.900112K110 E111 N160K110-E114 VanDerWaalsContact CE-OE2 3.28Å; K110-E114 WeakPolarHBondContact CE-OE2 3.36Å; K110-E114 WeakPolarHBondContact O-CG 3.28Å; K110-E114 PolarHBondContact O-N 3.2Å; E111-E114 PolarHBondContact O-N 3.39Å; E114-N160 PolarHBondContact O-ND2 3.27Å; E114-N160 VanDerWaalsContact O-ND2 3.17Å
115E96.6Very high97.9Very high5 Ų544.8 Ų44.82%0.02323%0.226CC..Hα-helixtrans-84.2-24.3-176.2-71.7-172.8152.700113.5V84 P94 G95 E111 N160 T163V84-E115 HydrophobicContact CG1-CB 4.18Å; P94-E115 WeakPolarHBondContact CA-OE2 3.33Å; G95-E115 PolarHBondContact N-OE2 3.21Å; E111-E115 WeakPolarHBondContact O-CB 3.35Å; E111-E115 PolarHBondContact O-N 2.88Å; E115-N160 PolarHBondContact O-ND2 3.15Å; E115-T163 HydrophobicContact CB-CG2 3.75Å; E115-T163 HydrophobicContact CG-CG2 3.99Å; E115-T163 WeakPolarHBondContact O-CG2 3.16Å; E115-T163 PolarHBondContact O-OG1 3.18Å
116T96.6Very high97.9Very high0 Ų038.5 Ų38.50%020%0.199CC..Hα-helixtrans-125.6-15.9-171.378.10000115.1L82 V84 P94 T112 L118 F157 I166L82-T116 HydrophobicContact CD2-CG2 4.05Å; V84-T116 HydrophobicContact CG1-CG2 3.52Å; P94-T116 HydrophobicContact CB-CG2 4.08Å; P94-T116 HydrophobicContact CG-CG2 3.83Å; T112-T116 HydrophobicContact CG2-CG2 4.44Å; T112-T116 WeakPolarHBondContact O-CA 3.43Å; T112-T116 VanDerWaalsContact O-CB 3.28Å; T112-T116 WeakPolarHBondContact O-CB 3.45Å; T112-T116 WeakPolarHBondContact O-CG2 3.46Å; T112-T116 PolarHBondContact O-N 3.26Å; T112-T116 PolarHBondContact O-OG1 2.94Å; T116-L118 PolarHBondContact O-N 2.78Å; T116-L118 VanDerWaalsContact OG1-CB 3.24Å; T116-L118 WeakPolarHBondContact OG1-CB 3.5Å; T116-L118 WeakPolarHBondContact OG1-CG 3.1Å; T116-L118 PolarHBondContact OG1-N 3.37Å; T116-F157 WeakPolarHBondContact O-CA 3.35Å; T116-F157 WeakPolarHBondContact O-CD2 3.13Å; T116-I166 HydrophobicContact CG2-CG2 3.99Å
117G96.5Very high97.9Very high27 Ų2733.5 Ų33.528%0.27818%0.176SC..SBendtrans70.11.5-169.200000114.5I113I113-G117 VanDerWaalsContact O-CA 3.24Å; I113-G117 WeakPolarHBondContact O-CA 3.36Å; I113-G117 PolarHBondContact O-N 3.35Å
118L97.8Very high97.9Very high8 Ų835.2 Ų35.24%0.04219%0.186CC..  trans-92.7138.7-177.5-53.3-179.3000111.5L82 I113 T116 L152 S154 G155 I166L82-L118 HydrophobicContact CD2-CD1 3.63Å; I113-L118 WeakPolarHBondContact CG1-O 3.2Å; T116-L118 PolarHBondContact O-N 2.78Å; T116-L118 VanDerWaalsContact OG1-CB 3.24Å; T116-L118 WeakPolarHBondContact OG1-CB 3.5Å; T116-L118 WeakPolarHBondContact OG1-CG 3.1Å; T116-L118 PolarHBondContact OG1-N 3.37Å; L118-L152 HydrophobicContact CB-CD1 3.89Å; L118-L152 HydrophobicContact CD1-CD1 3.88Å; L118-L152 HydrophobicContact CD2-CD1 4.29Å; L118-L152 HydrophobicContact CG-CD1 4.24Å; L118-S154 WeakPolarHBondContact CA-O 3.15Å; L118-G155 VanDerWaalsContact CD2-O 3.25Å; L118-G155 WeakPolarHBondContact CD2-O 3.24Å; L118-I166 HydrophobicContact CD1-CD1 3.99Å; L118-I166 HydrophobicContact CG-CD1 4.36Å
119T98.2Very high97.9Very high56 Ų5636 Ų3634%0.34419%0.19SC..EExtended strand (participates in β ladder)trans-90.6131.9168.6-590000109.5I153 S154T119-I153 HydrophobicContact CG2-CB 4.34Å; T119-I153 WeakPolarHBondContact O-CB 3.49Å; T119-I153 PolarHBondContact O-N 3.18Å; T119-S154 PolarHBondContact N-O 3.19Å; T119-S154 PolarHBondContact O-N 3.08Å
120V98.7Very high97.9Very high7 Ų736.8 Ų36.84%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-132.4156.5-178.1-60.10000112.4I75 V109 T112 C150 Q151I75-V120 HydrophobicContact CD1-CG1 3.78Å; I75-V120 HydrophobicContact CG1-CG1 4.04Å; V109-V120 HydrophobicContact CG2-CG2 4.41Å; T112-V120 HydrophobicContact CG2-CB 4.44Å; T112-V120 HydrophobicContact CG2-CG1 3.72Å; T112-V120 HydrophobicContact CG2-CG2 3.83Å; V120-C150 HydrophobicContact CB-CB 3.95Å; V120-C150 HydrophobicContact CG2-CB 4.04Å; V120-Q151 CarbonylContact C-O 3.56Å; V120-Q151 WeakPolarHBondContact CA-O 3.4Å; V120-Q151 WeakPolarHBondContact CB-O 3.38Å
121E98.5Very high97.8Very high103 Ų10335.2 Ų35.248%0.48119%0.186SC..EExtended strand (participates in β ladder)trans-110.6116.9171.7-178176-171.900110.2L123 C150 Q151 I153E121-L123 HydrophobicContact CG-CD2 4.39Å; E121-L123 PolarHBondContact O-N 3.17Å; E121-C150 CarbonylContact O-C 3.55Å; E121-C150 VanDerWaalsContact O-CA 3.29Å; E121-C150 WeakPolarHBondContact O-CA 3.33Å; E121-Q151 HydrophobicContact CB-CB 4.47Å; E121-Q151 PolarHBondContact N-O 3.33Å; E121-Q151 PolarHBondContact O-N 2.93Å; E121-I153 HydrophobicContact CB-CD1 3.91Å; E121-I153 HydrophobicContact CB-CG1 4.09Å
122P98.7Very high97.7Very high17 Ų1735.9 Ų35.911%0.1119%0.19CC..EExtended strand (participates in β ladder)trans-66.6119.2174.8-23.535.3000112.4K105 V109 V148K105-P122 HydrophobicContact CB-CB 4.48Å; K105-P122 HydrophobicContact CB-CG 4.33Å; K105-P122 HydrophobicContact CD-CB 4.44Å; K105-P122 HydrophobicContact CG-CB 4.12Å; V109-P122 HydrophobicContact CG2-CG 3.52Å; P122-V148 HydrophobicContact CB-CG1 3.86Å
123L98Very high97.6Very high83 Ų8341.5 Ų41.544%0.43521%0.214SC..EExtended strand (participates in β ladder)trans-94.4-57.8-175.3-58-177.3000112.6E121 E149 Q151E121-L123 HydrophobicContact CG-CD2 4.39Å; E121-L123 PolarHBondContact O-N 3.17Å; L123-E149 WeakPolarHBondContact CB-O 3.13Å; L123-E149 PolarHBondContact N-O 2.72Å; L123-Q151 HydrophobicContact CD1-CB 4.07Å; L123-Q151 HydrophobicContact CD2-CB 4.09Å; L123-Q151 HydrophobicContact CG-CB 4.18Å
124K98.1Very high97.6Very high69 Ų6941.4 Ų41.430%0.321%0.212SC..EExtended strand (participates in β ladder)trans-150.3156.7-175.664175.6177.8179.10112.1V148 E149 A193K124-V148 CarbonylContact O-C 3.52Å; K124-V148 WeakPolarHBondContact O-CA 3.25Å; K124-E149 WeakPolarHBondContact CE-OE2 3.37Å; K124-E149 HydrophobicContact CG-CB 3.93Å; K124-E149 IonicContact NZ-OE2 2.72Å; K124-E149 PolarHBondContact O-N 3.41Å; K124-A193 PolarHBondContact NZ-O 3.27Å
125I98.7Very high97.6Very high70 Ų7037.3 Ų37.336%0.35919%0.193SC..EExtended strand (participates in β ladder)trans-74.9131.9167.8-61.7175.6000108V128 I146 V201I125-V128 HydrophobicContact CG2-CG2 3.97Å; I125-I146 HydrophobicContact CD1-CG2 4.47Å; I125-I146 HydrophobicContact CG1-CG2 4.39Å; I125-I146 HydrophobicContact CG2-CG2 4.05Å; I125-V201 HydrophobicContact CB-CG2 4.47Å; I125-V201 HydrophobicContact CG2-CG1 3.77Å; I125-V201 WeakPolarHBondContact O-CG2 3.36Å
126I98.7Very high97.4Very high0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-86.7-51.2174.6-70.7168.5000109.6A74 F147 E149 L189 C190 A193 W199 P202A74-I126 HydrophobicContact CB-CD1 3.44Å; A74-I126 VanDerWaalsContact CB-CD1 3.44Å; I126-F147 HydrophobicContact CB-CB 3.81Å; I126-F147 HydrophobicContact CG2-CB 4.1Å; I126-F147 PolarHBondContact N-O 3.27Å; I126-E149 HydrophobicContact CD1-CB 3.81Å; I126-E149 HydrophobicContact CG1-CB 3.91Å; I126-L189 HydrophobicContact CG2-CG 4.32Å; I126-C190 HydrophobicContact CD1-CB 4Å; I126-A193 HydrophobicContact CB-CB 4.28Å; I126-A193 HydrophobicContact CG1-CB 3.93Å; I126-A193 HydrophobicContact CG2-CB 3.8Å; I126-W199 PolarHBondContact O-NE1 2.88Å; I126-P202 WeakPolarHBondContact O-CD 3.21Å
127A98.7Very high97.2Very high0 Ų047 Ų470%025%0.249CC..EExtended strand (participates in β ladder)trans-159157.1-176.300000111Q129 F147 L189 P202A127-Q129 HydrophobicContact CB-CG 4.36Å; A127-F147 HydrophobicContact CB-CD2 4.12Å; A127-F147 PolarHBondContact O-N 3.17Å; A127-L189 HydrophobicContact CB-CD2 3.51Å; A127-P202 WeakPolarHBondContact CA-O 3.45Å; A127-P202 HydrophobicContact CB-CG 3.99Å
128V98.7Very high96.9Very high37 Ų3749.5 Ų49.522%0.22425%0.25CS..EExtended strand (participates in β ladder)trans-125.3113.8172.5-178.10000107.9I125 C144 K145 I146 V201 P202 F203 D204I125-V128 HydrophobicContact CG2-CG2 3.97Å; V128-C144 WeakPolarHBondContact CG1-SG 3.48Å; V128-K145 CarbonylContact C-O 3.5Å; V128-K145 WeakPolarHBondContact CA-O 3.46Å; V128-I146 HydrophobicContact CG1-CG1 4.39Å; V128-I146 HydrophobicContact CG2-CG1 4.49Å; V128-V201 HydrophobicContact CG2-CG1 4.47Å; V128-P202 PolarHBondContact N-O 2.9Å; V128-P202 VanDerWaalsContact N-O 3.11Å; V128-F203 HydrophobicContact CB-CB 3.94Å; V128-F203 WeakPolarHBondContact O-CA 3.3Å; V128-D204 PolarHBondContact O-N 3.18Å
129Q98.5Very high96.6Very high18 Ų1852.1 Ų52.18%0.08426%0.26CS..EExtended strand (participates in β ladder)trans-131.7140.8-169.3-72.6-174.3-20.300112.4A127 R131 K145 F147A127-Q129 HydrophobicContact CB-CG 4.36Å; Q129-R131 PolarHBondContact O-N 3.48Å; Q129-K145 PolarHBondContact N-O 3.01Å; Q129-K145 PolarHBondContact O-N 3.1Å; Q129-F147 HydrophobicContact CB-CE2 4.45Å
130D97.7Very high96.2Very high51 Ų5150.9 Ų50.927%0.27326%0.256SS..EExtended strand (participates in β ladder)trans-70114.4163.9-178.7-17.5000109.7N132 K133 H134 D204D130-N132 PolarHBondContact O-N 3.46Å; D130-N132 VanDerWaalsContact O-N 3.12Å; D130-N132 PolarHBondContact OD1-N 2.84Å; D130-K133 HydrophobicContact CB-CB 4.4Å; D130-K133 HydrophobicContact CB-CD 3.91Å; D130-K133 HydrophobicContact CB-CG 3.93Å; D130-K133 WeakPolarHBondContact O-CB 3.33Å; D130-K133 PolarHBondContact O-N 3.36Å; D130-H134 PolarHBondContact O-CD2 3.4Å; D130-H134 VanDerWaalsContact O-CD2 3.27Å; D130-D204 WeakPolarHBondContact CB-OD1 3.47Å; D130-D204 PolarHBondContact N-OD1 3.26Å
131R97.4Very high95.8Very high7 Ų754.9 Ų54.93%0.02627%0.271CS..Hα-helixtrans-48.4-43.6178.1-177.9179.8178.1-71.2-6.9112.7Q129 K133 H134 N135 P137 Y139 V143 K145 A180Q129-R131 PolarHBondContact O-N 3.48Å; R131-K133 PolarHBondContact O-N 2.92Å; R131-H134 PolarHBondContact O-N 3Å; R131-H134 VanDerWaalsContact O-N 3.12Å; R131-N135 HydrophobicContact CG-CB 3.89Å; R131-N135 WeakPolarHBondContact O-CB 3.3Å; R131-N135 PolarHBondContact O-N 3.5Å; R131-P137 PolarHBondContact NH1-O 3.48Å; R131-P137 PolarHBondContact NH2-O 3.4Å; R131-Y139 VanDerWaalsContact CZ-CE1 3.43Å; R131-Y139 VanDerWaalsContact NH1-CE1 3.3Å; R131-Y139 VanDerWaalsContact NH1-CG 3.29Å; R131-Y139 VanDerWaalsContact NH2-CE1 3.33Å; R131-Y139 PolarHBondContact NH2-OH 3.24Å; R131-V143 HydrophobicContact CB-CB 3.77Å; R131-V143 HydrophobicContact CB-CG1 4.32Å; R131-V143 WeakPolarHBondContact CB-O 3.35Å; R131-V143 HydrophobicContact CG-CB 4.5Å; R131-V143 PolarHBondContact N-O 3.17Å; R131-K145 HydrophobicContact CB-CD 3.82Å; R131-K145 HydrophobicContact CB-CG 4Å; R131-K145 HydrophobicContact CG-CD 3.88Å; R131-K145 HydrophobicContact CG-CG 4.49Å; R131-A180 PolarHBondContact NE-O 3.18Å; R131-A180 PolarHBondContact NH2-O 3.44Å
132N95.1Very high95.5Very high36 Ų3651.3 Ų51.319%0.19326%0.262CS..Hα-helixtrans-70.3-16.8-174.2-77.2-23.8000112.8D130 R138 Y139 Y141D130-N132 PolarHBondContact O-N 3.46Å; D130-N132 VanDerWaalsContact O-N 3.12Å; D130-N132 PolarHBondContact OD1-N 2.84Å; N132-R138 HydrophobicContact CB-CG 4.24Å; N132-Y139 PolarHBondContact ND2-O 3.18Å; N132-Y139 PolarHBondContact OD1-N 2.87Å; N132-Y141 PolarHBondContact ND2-O 3.29Å
133K95.7Very high95.5Very high117 Ų11750.6 Ų50.651%0.50926%0.257SS..Hα-helixtrans-83.6-21.3172.8-61-178.5-162.4151.20113.1D130 R131 D204D130-K133 HydrophobicContact CB-CB 4.4Å; D130-K133 HydrophobicContact CB-CD 3.91Å; D130-K133 HydrophobicContact CB-CG 3.93Å; D130-K133 WeakPolarHBondContact O-CB 3.33Å; D130-K133 PolarHBondContact O-N 3.36Å; R131-K133 PolarHBondContact O-N 2.92Å; K133-D204 HydrophobicContact CD-CB 4.41Å; K133-D204 IonicContact NZ-OD1 3.63Å; K133-D204 PolarHBondContact NZ-OD1 3.07Å; K133-D204 PolarHBondContact NZ-OXT 2.72Å
134H96.6Very high95.5Very high68 Ų6848 Ų4832%0.31525%0.245SC..Hα-helixtrans-123.6-15.2-170.2-61.9-82.9000115.1D130 R131 D204D130-H134 PolarHBondContact O-CD2 3.4Å; D130-H134 VanDerWaalsContact O-CD2 3.27Å; R131-H134 PolarHBondContact O-N 3Å; R131-H134 VanDerWaalsContact O-N 3.12Å; H134-D204 IonicContact CD2-OD2 2.59Å; H134-D204 PolarHBondContact CD2-OD2 3.12Å; H134-D204 IonicContact CE1-OD2 2.71Å; H134-D204 IonicContact NE2-OD2 3.91Å; H134-D204 PolarHBondContact NE2-OD2 3.18Å
135N96.6Very high95.5Very high4 Ų444.8 Ų44.82%0.02123%0.231CC..SBendtrans-131.5150.3-173.8-60.9105.5000112.3R131 K145 K179 Q186R131-N135 HydrophobicContact CG-CB 3.89Å; R131-N135 WeakPolarHBondContact O-CB 3.3Å; R131-N135 PolarHBondContact O-N 3.5Å; N135-K145 WeakPolarHBondContact OD1-CD 3.32Å; N135-K179 PolarHBondContact ND2-O 3.46Å; N135-K179 VanDerWaalsContact ND2-O 3.12Å; N135-Q186 PolarHBondContact ND2-OE1 2.97Å; N135-Q186 PolarHBondContact OD1-NE2 3.45Å; N135-Q186 VanDerWaalsContact OD1-NE2 3.12Å
136L92.6Very high95.5Very high126 Ų12642 Ų4266%0.6622%0.217SC*.SBendtrans-119.4146.9176.2-64.3175.6000110.1K179 A180L136-K179 CarbonylContact O-C 3.5Å; L136-A180 WeakPolarHBondContact O-CA 3.45Å; L136-A180 WeakPolarHBondContact O-CB 3.35Å; L136-A180 PolarHBondContact O-N 3.43Å
137P91.8Very high95.5Very high83 Ų8342 Ų4254%0.53922%0.217SC..SBendcis-76.3157.5-1.632.5-35.6000111.7R131 Y139R131-P137 PolarHBondContact NH1-O 3.48Å; R131-P137 PolarHBondContact NH2-O 3.4Å; P137-Y139 HydrophobicContact CG-CE1 4.31Å; P137-Y139 WeakPolarHBondContact O-CD1 3.48Å
138R90Very high95.5Very high80 Ų8042.3 Ų42.330%0.30222%0.219SC..PPolyproline II helixtrans-63.5136.2172.3-175.6175.4174.3-158.2-2.9110.6L6 D7 N132L6-R138 HydrophobicContact CD2-CG 4.21Å; D7-R138 IonicContact OD1-CZ 2.71Å; D7-R138 IonicContact OD1-NH1 3.47Å; D7-R138 PolarHBondContact OD1-NH1 3.47Å; D7-R138 IonicContact OD1-NH2 2.83Å; D7-R138 PolarHBondContact OD1-NH2 2.89Å; D7-R138 IonicContact OD2-NH1 3.81Å; N132-R138 HydrophobicContact CB-CG 4.24Å
139Y91.1Very high95.5Very high62 Ų6241.2 Ų41.224%0.24321%0.212CC..PPolyproline II helixtrans-95.7152176.7-69.9-4.9000111.6R131 N132 P137 Y141 V143R131-Y139 VanDerWaalsContact CZ-CE1 3.43Å; R131-Y139 VanDerWaalsContact NH1-CE1 3.3Å; R131-Y139 VanDerWaalsContact NH1-CG 3.29Å; R131-Y139 VanDerWaalsContact NH2-CE1 3.33Å; R131-Y139 PolarHBondContact NH2-OH 3.24Å; N132-Y139 PolarHBondContact ND2-O 3.18Å; N132-Y139 PolarHBondContact OD1-N 2.87Å; P137-Y139 HydrophobicContact CG-CE1 4.31Å; P137-Y139 WeakPolarHBondContact O-CD1 3.48Å; Y139-Y141 WeakPolarHBondContact CB-O 3.43Å; Y139-Y141 HydrophobicContact CD2-CD2 4.47Å; Y139-Y141 HydrophobicContact CD2-CE1 4.02Å; Y139-Y141 AromaticContact CD2-CE2 3.7Å; Y139-Y141 HydrophobicContact CD2-CE2 3.7Å; Y139-Y141 AromaticContact CD2-CZ 3.43Å; Y139-Y141 VanDerWaalsContact CD2-CZ 3.43Å; Y139-Y141 WeakPolarHBondContact CD2-OH 3.48Å; Y139-Y141 HydrophobicContact CE2-CE2 4.36Å; Y139-Y141 AromaticContact CE2-CZ 3.96Å; Y139-Y141 WeakPolarHBondContact CE2-OH 3.2Å; Y139-Y141 HydrophobicContact CG-CE1 4.21Å; Y139-Y141 PolarHBondContact O-N 2.85Å; Y139-V143 HydrophobicContact CD2-CG2 4.18Å
140A89.1Confident95.5Very high31 Ų3140.6 Ų40.626%0.25621%0.209SC..SBendtrans-76.712.6171.700000113.1L6 F58L6-A140 HydrophobicContact CD1-CB 4.32Å; F58-A140 HydrophobicContact CD2-CB 4.01Å; F58-A140 WeakPolarHBondContact CD2-O 3.29Å; F58-A140 HydrophobicContact CE2-CB 4.16Å; F58-A140 WeakPolarHBondContact CE2-O 3.34Å
141Y90.7Very high95.5Very high90 Ų9043 Ų4335%0.35322%0.218SC..SBendtrans-146.4159.3175.858-88.8000109.1K68 W97 N132 Y139 V143K68-Y141 HydrophobicContact CD-CD2 4.49Å; K68-Y141 HydrophobicContact CD-CE2 4.31Å; W97-Y141 HydrophobicContact CH2-CE2 4.09Å; N132-Y141 PolarHBondContact ND2-O 3.29Å; Y139-Y141 WeakPolarHBondContact CB-O 3.43Å; Y139-Y141 HydrophobicContact CD2-CD2 4.47Å; Y139-Y141 HydrophobicContact CD2-CE1 4.02Å; Y139-Y141 AromaticContact CD2-CE2 3.7Å; Y139-Y141 HydrophobicContact CD2-CE2 3.7Å; Y139-Y141 AromaticContact CD2-CZ 3.43Å; Y139-Y141 VanDerWaalsContact CD2-CZ 3.43Å; Y139-Y141 WeakPolarHBondContact CD2-OH 3.48Å; Y139-Y141 HydrophobicContact CE2-CE2 4.36Å; Y139-Y141 AromaticContact CE2-CZ 3.96Å; Y139-Y141 WeakPolarHBondContact CE2-OH 3.2Å; Y139-Y141 HydrophobicContact CG-CE1 4.21Å; Y139-Y141 PolarHBondContact O-N 2.85Å; Y141-V143 HydrophobicContact CD2-CG2 3.82Å; Y141-V143 HydrophobicContact CE2-CG2 3.51Å
142G93.3Very high95.6Very high29 Ų2945.3 Ų45.330%0.29923%0.231SC..  trans-81.4145.2178.200000112.2P67 K68P67-G142 CarbonylContact C-O 3.6Å; P67-G142 VanDerWaalsContact CA-O 3.28Å; P67-G142 WeakPolarHBondContact CA-O 3.1Å; K68-G142 PolarHBondContact N-O 3.2Å
143V97.2Very high95.7Very high2 Ų247.9 Ų47.91%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-136122.2169.3179.80000108.3K68 D70 W97 R131 Y139 Y141 K145K68-V143 CarbonylContact O-C 3.55Å; K68-V143 WeakPolarHBondContact O-CA 3.39Å; D70-V143 HydrophobicContact CB-CG1 3.68Å; W97-V143 HydrophobicContact CH2-CG1 4.26Å; W97-V143 HydrophobicContact CH2-CG2 3.7Å; W97-V143 HydrophobicContact CZ3-CB 4.36Å; W97-V143 HydrophobicContact CZ3-CG1 3.67Å; W97-V143 HydrophobicContact CZ3-CG2 3.73Å; R131-V143 HydrophobicContact CB-CB 3.77Å; R131-V143 HydrophobicContact CB-CG1 4.32Å; R131-V143 WeakPolarHBondContact CB-O 3.35Å; R131-V143 HydrophobicContact CG-CB 4.5Å; R131-V143 PolarHBondContact N-O 3.17Å; Y139-V143 HydrophobicContact CD2-CG2 4.18Å; Y141-V143 HydrophobicContact CD2-CG2 3.82Å; Y141-V143 HydrophobicContact CE2-CG2 3.51Å; V143-K145 HydrophobicContact CG1-CG 4.22Å
144C98.2Very high95.8Very high27 Ų2745.3 Ų45.318%0.18224%0.241CC..EExtended strand (participates in β ladder)trans-89115.1169.3176.40000108.5K68 L69 D70 V128K68-C144 PolarHBondContact O-N 3.3Å; L69-C144 HydrophobicContact CD2-CB 3.76Å; D70-C144 PolarHBondContact N-O 3.19Å; V128-C144 WeakPolarHBondContact CG1-SG 3.48Å
145K98.3Very high95.7Very high2 Ų243.8 Ų43.81%0.00924%0.243CC..EExtended strand (participates in β ladder)trans-94.7126.4178.7-66.7-177.765.970.10109.8D70 V128 Q129 R131 N135 V143 F147 K181D70-K145 HydrophobicContact CB-CG 4.18Å; D70-K145 CarbonylContact O-C 3.57Å; D70-K145 WeakPolarHBondContact O-CA 3.48Å; D70-K145 IonicContact OD1-NZ 2.75Å; D70-K145 PolarHBondContact OD1-NZ 2.9Å; D70-K145 IonicContact OD2-NZ 3.03Å; V128-K145 CarbonylContact C-O 3.5Å; V128-K145 WeakPolarHBondContact CA-O 3.46Å; Q129-K145 PolarHBondContact N-O 3.01Å; Q129-K145 PolarHBondContact O-N 3.1Å; R131-K145 HydrophobicContact CB-CD 3.82Å; R131-K145 HydrophobicContact CB-CG 4Å; R131-K145 HydrophobicContact CG-CD 3.88Å; R131-K145 HydrophobicContact CG-CG 4.49Å; N135-K145 WeakPolarHBondContact OD1-CD 3.32Å; V143-K145 HydrophobicContact CG1-CG 4.22Å; K145-F147 HydrophobicContact CB-CE2 4.01Å; K145-F147 HydrophobicContact CB-CZ 4.48Å; K145-K181 WeakPolarHBondContact CE-O 3.34Å; K145-K181 PolarHBondContact NZ-O 3.43Å
146I98.8Very high95.6Very high11 Ų1150.1 Ų50.16%0.05628%0.277CS..EExtended strand (participates in β ladder)trans-116.8112.6-179.1-54.7178.6000108.9D70 T71 R72 I104 I125 V128 V148D70-I146 PolarHBondContact O-N 3.22Å; T71-I146 CarbonylContact C-O 3.59Å; T71-I146 VanDerWaalsContact CA-O 3.3Å; T71-I146 WeakPolarHBondContact CA-O 3.29Å; T71-I146 PolarHBondContact OG1-O 3.18Å; R72-I146 PolarHBondContact N-O 3.32Å; I104-I146 HydrophobicContact CD1-CD1 3.3Å; I104-I146 HydrophobicContact CG1-CD1 3.92Å; I104-I146 HydrophobicContact CG2-CB 4.4Å; I104-I146 HydrophobicContact CG2-CG2 4.05Å; I125-I146 HydrophobicContact CD1-CG2 4.47Å; I125-I146 HydrophobicContact CG1-CG2 4.39Å; I125-I146 HydrophobicContact CG2-CG2 4.05Å; V128-I146 HydrophobicContact CG1-CG1 4.39Å; V128-I146 HydrophobicContact CG2-CG1 4.49Å; I146-V148 HydrophobicContact CG2-CG2 4.1Å
147F98.8Very high95.6Very high1 Ų147.1 Ų47.10%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-88.4132.7177.2-62.7-94.3000109.1R72 L93 I126 A127 Q129 K145 Q186R72-F147 HydrophobicContact CB-CD1 3.76Å; R72-F147 HydrophobicContact CB-CE1 3.99Å; R72-F147 HydrophobicContact CB-CG 4.49Å; R72-F147 HydrophobicContact CG-CD1 4.37Å; R72-F147 HydrophobicContact CG-CE1 4.12Å; R72-F147 CarbonylContact O-C 3.56Å; R72-F147 WeakPolarHBondContact O-CA 3.37Å; L93-F147 HydrophobicContact CD1-CD1 3.79Å; L93-F147 HydrophobicContact CD1-CE1 3.76Å; I126-F147 HydrophobicContact CB-CB 3.81Å; I126-F147 HydrophobicContact CG2-CB 4.1Å; I126-F147 PolarHBondContact N-O 3.27Å; A127-F147 HydrophobicContact CB-CD2 4.12Å; A127-F147 PolarHBondContact O-N 3.17Å; Q129-F147 HydrophobicContact CB-CE2 4.45Å; K145-F147 HydrophobicContact CB-CE2 4.01Å; K145-F147 HydrophobicContact CB-CZ 4.48Å; F147-Q186 HydrophobicContact CE1-CB 4.2Å; F147-Q186 HydrophobicContact CZ-CB 4.06Å; F147-Q186 HydrophobicContact CZ-CG 3.98Å
148V98.9Very high95.4Very high6 Ų648.2 Ų48.24%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-130120.1-173.1-174.70000109.4R72 A73 A74 I104 T108 P122 K124 I146 C150R72-V148 PolarHBondContact O-N 3.05Å; A73-V148 WeakPolarHBondContact CA-O 3.41Å; A74-V148 PolarHBondContact N-O 3.45Å; I104-V148 HydrophobicContact CG2-CG2 4.05Å; T108-V148 HydrophobicContact CG2-CB 4Å; T108-V148 HydrophobicContact CG2-CG1 4.18Å; P122-V148 HydrophobicContact CB-CG1 3.86Å; K124-V148 CarbonylContact O-C 3.52Å; K124-V148 WeakPolarHBondContact O-CA 3.25Å; I146-V148 HydrophobicContact CG2-CG2 4.1Å; V148-C150 PolarHBondContact O-SG 2.82Å
149E98.8Very high95.3Very high15 Ų1551.4 Ų51.47%0.0728%0.28CS..EExtended strand (participates in β ladder)trans-72.7130.7171.8-167.9171.8154.200109.4A74 F76 L123 K124 I126 H194A74-E149 WeakPolarHBondContact O-CA 3.37Å; F76-E149 HydrophobicContact CD2-CG 4.29Å; F76-E149 HydrophobicContact CE2-CG 4.28Å; L123-E149 WeakPolarHBondContact CB-O 3.13Å; L123-E149 PolarHBondContact N-O 2.72Å; K124-E149 WeakPolarHBondContact CE-OE2 3.37Å; K124-E149 HydrophobicContact CG-CB 3.93Å; K124-E149 IonicContact NZ-OE2 2.72Å; K124-E149 PolarHBondContact O-N 3.41Å; I126-E149 HydrophobicContact CD1-CB 3.81Å; I126-E149 HydrophobicContact CG1-CB 3.91Å; E149-H194 IonicContact OE1-CE1 3.67Å; E149-H194 IonicContact OE1-CG 3.75Å; E149-H194 IonicContact OE1-ND1 2.75Å; E149-H194 PolarHBondContact OE1-ND1 3.2Å
150C98.9Very high95.1Very high4 Ų450.6 Ų50.63%0.02728%0.28CS..EExtended strand (participates in β ladder)trans-128.7141.8-176.8-60.20000111.1A74 I75 T108 V120 E121 V148A74-C150 PolarHBondContact O-N 2.64Å; I75-C150 HydrophobicContact CG1-CB 3.83Å; T108-C150 VanDerWaalsContact CG2-SG 3.5Å; V120-C150 HydrophobicContact CB-CB 3.95Å; V120-C150 HydrophobicContact CG2-CB 4.04Å; E121-C150 CarbonylContact O-C 3.55Å; E121-C150 VanDerWaalsContact O-CA 3.29Å; E121-C150 WeakPolarHBondContact O-CA 3.33Å; V148-C150 PolarHBondContact O-SG 2.82Å
151Q98.4Very high95.1Very high101 Ų10156.1 Ų56.147%0.47230%0.303SS..EExtended strand (participates in β ladder)trans-87.8132.3170.2-174.4173700110.1V120 E121 L123 I153V120-Q151 CarbonylContact C-O 3.56Å; V120-Q151 WeakPolarHBondContact CA-O 3.4Å; V120-Q151 WeakPolarHBondContact CB-O 3.38Å; E121-Q151 HydrophobicContact CB-CB 4.47Å; E121-Q151 PolarHBondContact N-O 3.33Å; E121-Q151 PolarHBondContact O-N 2.93Å; L123-Q151 HydrophobicContact CD1-CB 4.07Å; L123-Q151 HydrophobicContact CD2-CB 4.09Å; L123-Q151 HydrophobicContact CG-CB 4.18Å; Q151-I153 HydrophobicContact CB-CD1 4.48Å; Q151-I153 HydrophobicContact CG-CD1 4.22Å; Q151-I153 PolarHBondContact O-N 3.17Å
152L98.3Very high95Very high56 Ų5656.1 Ų56.129%0.29331%0.307SS..EExtended strand (participates in β ladder)trans-69.4124.3168.9179.260.9000110.4I75 L118 W168I75-L152 HydrophobicContact CG2-CB 3.98Å; L118-L152 HydrophobicContact CB-CD1 3.89Å; L118-L152 HydrophobicContact CD1-CD1 3.88Å; L118-L152 HydrophobicContact CD2-CD1 4.29Å; L118-L152 HydrophobicContact CG-CD1 4.24Å; L152-W168 HydrophobicContact CD2-CH2 4.25Å; L152-W168 HydrophobicContact CD2-CZ2 4.19Å
153I98.2Very high94.8Very high90 Ų9054.8 Ų54.846%0.46229%0.293SS..EExtended strand (participates in β ladder)trans-100.3-52.2177.6-56.3-53000110.7T119 E121 Q151T119-I153 HydrophobicContact CG2-CB 4.34Å; T119-I153 WeakPolarHBondContact O-CB 3.49Å; T119-I153 PolarHBondContact O-N 3.18Å; E121-I153 HydrophobicContact CB-CD1 3.91Å; E121-I153 HydrophobicContact CB-CG1 4.09Å; Q151-I153 HydrophobicContact CB-CD1 4.48Å; Q151-I153 HydrophobicContact CG-CD1 4.22Å; Q151-I153 PolarHBondContact O-N 3.17Å
154S97.4Very high94.7Very high63 Ų6357.4 Ų57.444%0.44131%0.306SS..EExtended strand (participates in β ladder)trans-168.5178.4-175.263.30000111.7L118 T119L118-S154 WeakPolarHBondContact CA-O 3.15Å; T119-S154 PolarHBondContact N-O 3.19Å; T119-S154 PolarHBondContact O-N 3.08Å
155G94.7Very high94.6Very high36 Ų3660.4 Ų60.437%0.37132%0.318SS..  trans107.2166.317500000112.4L118L118-G155 VanDerWaalsContact CD2-O 3.25Å; L118-G155 WeakPolarHBondContact CD2-O 3.24Å
156D93.5Very high94.6Very high138 Ų13861.7 Ų61.774%0.73833%0.325SS*.  trans-138.1151.3176.3-69.5-69.9000108V158D156-V158 PolarHBondContact O-N 3.47Å
157F93.2Very high94.6Very high63 Ų6364.9 Ų64.928%0.27634%0.342SS..  trans-61.9128.7179.5-176.7-110.1000112.1T116 K159 Q165 I166T116-F157 WeakPolarHBondContact O-CA 3.35Å; T116-F157 WeakPolarHBondContact O-CD2 3.13Å; F157-K159 HydrophobicContact CE1-CB 3.99Å; F157-K159 HydrophobicContact CZ-CB 4.33Å; F157-Q165 HydrophobicContact CE1-CB 4.46Å; F157-Q165 VanDerWaalsContact CZ-CA 3.47Å; F157-I166 HydrophobicContact CB-CD1 3.65Å; F157-I166 HydrophobicContact CB-CG1 3.85Å; F157-I166 HydrophobicContact CD2-CB 4.3Å; F157-I166 HydrophobicContact CD2-CD1 3.98Å; F157-I166 HydrophobicContact CD2-CG1 3.95Å; F157-I166 HydrophobicContact CD2-CG2 3.6Å; F157-I166 HydrophobicContact CE2-CG2 3.8Å; F157-I166 HydrophobicContact CG-CD1 4.12Å; F157-I166 HydrophobicContact CG-CG1 3.97Å; F157-I166 HydrophobicContact CG-CG2 4.43Å
158V88.2Confident94.5Very high105 Ų10568 Ų6864%0.63635%0.353SS*.  trans-119.9119.2166.8-176.20000107.7D156 N160D156-V158 PolarHBondContact O-N 3.47Å; V158-N160 PolarHBondContact O-N 3.47Å; V158-N160 PolarHBondContact O-ND2 2.98Å
159K86.4Confident94.5Very high147 Ų14768.8 Ų68.864%0.63936%0.356SS*.  trans-54.2130.6177.4-175.6178.2-179.8177.10110.4F157F157-K159 HydrophobicContact CE1-CB 3.99Å; F157-K159 HydrophobicContact CZ-CB 4.33Å
160N88.6Confident94.5Very high45 Ų4569.9 Ų69.924%0.24137%0.365CS..  trans-128.1-170.5-17962.168.7000110.5E114 E115 V158 E162 T163E114-N160 PolarHBondContact O-ND2 3.27Å; E114-N160 VanDerWaalsContact O-ND2 3.17Å; E115-N160 PolarHBondContact O-ND2 3.15Å; V158-N160 PolarHBondContact O-N 3.47Å; V158-N160 PolarHBondContact O-ND2 2.98Å; N160-E162 WeakPolarHBondContact OD1-CA 3.48Å; N160-E162 PolarHBondContact OD1-N 2.96Å; N160-T163 PolarHBondContact ND2-OG1 3.39Å; N160-T163 PolarHBondContact OD1-N 2.71Å; N160-T163 PolarHBondContact OD1-OG1 2.97Å
161I88.7Confident94.4Very high147 Ų14770.9 Ų70.975%0.75437%0.374SS*.SBendtrans-78.6-21.8-176.160.7174.4000113.1N87N87-I161 PolarHBondContact ND2-O 3.35Å
162E87.4Confident94.3Very high90 Ų9073.9 Ų73.942%0.42139%0.394SS..SBendtrans-95.8-40.4-173.3-52-163.7-166.100111.4N160N160-E162 WeakPolarHBondContact OD1-CA 3.48Å; N160-E162 PolarHBondContact OD1-N 2.96Å
163T90.9Very high94.3Very high1 Ų176.8 Ų76.81%0.00641%0.41CS..EExtended strand (participates in β ladder)trans-121.9137.8-175670000112.8V84 Q85 E115 N160V84-T163 HydrophobicContact CB-CG2 3.76Å; V84-T163 HydrophobicContact CG1-CG2 4.02Å; V84-T163 HydrophobicContact CG2-CG2 4.2Å; Q85-T163 CarbonylContact O-C 3.58Å; Q85-T163 WeakPolarHBondContact O-CA 3.5Å; E115-T163 HydrophobicContact CB-CG2 3.75Å; E115-T163 HydrophobicContact CG-CG2 3.99Å; E115-T163 WeakPolarHBondContact O-CG2 3.16Å; E115-T163 PolarHBondContact O-OG1 3.18Å; N160-T163 PolarHBondContact ND2-OG1 3.39Å; N160-T163 PolarHBondContact OD1-N 2.71Å; N160-T163 PolarHBondContact OD1-OG1 2.97Å
164L94.2Very high94.3Very high57 Ų5774.3 Ų74.330%0.29840%0.397SS..EExtended strand (participates in β ladder)trans-82.1-40.3-179.6-64.8-179.2000112Q85 E86 N87Q85-L164 PolarHBondContact O-N 3.46Å; E86-L164 VanDerWaalsContact O-CD1 3.32Å; E86-L164 WeakPolarHBondContact O-CD1 3.45Å; N87-L164 WeakPolarHBondContact OD1-CD2 3.48Å
165Q96.7Very high94.3Very high90 Ų9072.2 Ų72.242%0.42138%0.382SS..EExtended strand (participates in β ladder)trans-165.3167.9-177.557.1-175.4-26.100110.7Q85 W91 F157Q85-Q165 HydrophobicContact CB-CG 3.93Å; Q85-Q165 PolarHBondContact N-O 2.87Å; W91-Q165 HydrophobicContact CH2-CG 3.82Å; W91-Q165 HydrophobicContact CZ2-CG 4.22Å; F157-Q165 HydrophobicContact CE1-CB 4.46Å; F157-Q165 VanDerWaalsContact CZ-CA 3.47Å
166I97.7Very high94.5Very high30 Ų3075 Ų7515%0.15439%0.393CS..EExtended strand (participates in β ladder)trans-123.2152.9168.767.5-178.3000109.3L82 L83 V84 T116 L118 F157L82-I166 HydrophobicContact CD1-CB 4Å; L82-I166 HydrophobicContact CD1-CD1 4.02Å; L82-I166 HydrophobicContact CD1-CG1 4.2Å; L83-I166 WeakPolarHBondContact O-CA 3.3Å; V84-I166 HydrophobicContact CB-CG2 4.47Å; V84-I166 HydrophobicContact CG1-CG2 3.66Å; T116-I166 HydrophobicContact CG2-CG2 3.99Å; L118-I166 HydrophobicContact CD1-CD1 3.99Å; L118-I166 HydrophobicContact CG-CD1 4.36Å; F157-I166 HydrophobicContact CB-CD1 3.65Å; F157-I166 HydrophobicContact CB-CG1 3.85Å; F157-I166 HydrophobicContact CD2-CB 4.3Å; F157-I166 HydrophobicContact CD2-CD1 3.98Å; F157-I166 HydrophobicContact CD2-CG1 3.95Å; F157-I166 HydrophobicContact CD2-CG2 3.6Å; F157-I166 HydrophobicContact CE2-CG2 3.8Å; F157-I166 HydrophobicContact CG-CD1 4.12Å; F157-I166 HydrophobicContact CG-CG1 3.97Å; F157-I166 HydrophobicContact CG-CG2 4.43Å
167D97.8Very high94.7Very high77 Ų7769.6 Ų69.641%0.41236%0.364SS..EExtended strand (participates in β ladder)trans-155.7166.5173.8-157.8-1.1000110.5L83 W91 F169L83-D167 PolarHBondContact N-O 3.06Å; L83-D167 PolarHBondContact O-N 3.4Å; L83-D167 VanDerWaalsContact O-N 3.15Å; W91-D167 HydrophobicContact CH2-CB 3.65Å; W91-D167 HydrophobicContact CZ3-CB 3.85Å; D167-F169 HydrophobicContact CB-CE2 3.65Å; D167-F169 HydrophobicContact CB-CZ 3.7Å
168W98.5Very high94.9Very high67 Ų6767 Ų6725%0.25435%0.354SS..EExtended strand (participates in β ladder)trans-107.7122.6-175.2-61.988.9000110.2I75 K77 C80 I81 L82 L152I75-W168 HydrophobicContact CG2-CH2 3.94Å; I75-W168 HydrophobicContact CG2-CZ3 4.28Å; I75-W168 WeakPolarHBondContact O-CZ3 3.28Å; K77-W168 HydrophobicContact CB-CD2 4.12Å; K77-W168 HydrophobicContact CB-CE3 3.66Å; K77-W168 HydrophobicContact CB-CH2 3.55Å; K77-W168 HydrophobicContact CB-CZ2 4.02Å; K77-W168 HydrophobicContact CB-CZ3 3.36Å; K77-W168 HydrophobicContact CD-CH2 4.35Å; K77-W168 HydrophobicContact CD-CZ2 4.02Å; C80-W168 HydrophobicContact CB-CB 3.78Å; I81-W168 WeakPolarHBondContact O-CA 3.38Å; L82-W168 HydrophobicContact CB-CE3 4.04Å; L82-W168 HydrophobicContact CB-CH2 4.06Å; L82-W168 HydrophobicContact CB-CZ3 3.79Å; L82-W168 HydrophobicContact CD1-CD2 3.98Å; L82-W168 HydrophobicContact CD1-CE3 4.34Å; L82-W168 HydrophobicContact CD1-CH2 4.18Å; L82-W168 HydrophobicContact CD1-CZ2 3.8Å; L82-W168 HydrophobicContact CD1-CZ3 4.42Å; L152-W168 HydrophobicContact CD2-CH2 4.25Å; L152-W168 HydrophobicContact CD2-CZ2 4.19Å
169F98.7Very high95.2Very high23 Ų2369.2 Ų69.210%0.10136%0.355CS..EExtended strand (participates in β ladder)trans-120.3137.5-175.6-59.7-85.1000111.6C80 I81 L83 W91 D167 N173 L174 P175C80-F169 CarbonylContact C-O 3.57Å; C80-F169 VanDerWaalsContact CA-O 3.24Å; C80-F169 WeakPolarHBondContact CA-O 3.4Å; C80-F169 WeakPolarHBondContact CB-O 3.34Å; I81-F169 PolarHBondContact N-O 2.85Å; I81-F169 PolarHBondContact O-N 2.86Å; L83-F169 HydrophobicContact CB-CD2 3.89Å; L83-F169 HydrophobicContact CB-CE2 3.96Å; L83-F169 HydrophobicContact CD1-CB 4.43Å; L83-F169 HydrophobicContact CD1-CD2 3.63Å; L83-F169 HydrophobicContact CD1-CE2 4.18Å; L83-F169 HydrophobicContact CD1-CG 4.21Å; L83-F169 HydrophobicContact CG-CD2 3.85Å; L83-F169 HydrophobicContact CG-CE2 4.4Å; W91-F169 AromaticContact CD2-CE2 3.99Å; W91-F169 HydrophobicContact CD2-CE2 3.99Å; W91-F169 AromaticContact CD2-CZ 3.98Å; W91-F169 HydrophobicContact CD2-CZ 3.98Å; W91-F169 AromaticContact CE2-CZ 3.97Å; W91-F169 AromaticContact CE3-CE2 3.53Å; W91-F169 HydrophobicContact CE3-CE2 3.53Å; W91-F169 AromaticContact CE3-CZ 3.91Å; W91-F169 HydrophobicContact CE3-CZ 3.91Å; W91-F169 HydrophobicContact CH2-CE2 4.01Å; W91-F169 AromaticContact CH2-CZ 3.8Å; W91-F169 HydrophobicContact CH2-CZ 3.8Å; W91-F169 HydrophobicContact CZ2-CE2 4.45Å; W91-F169 AromaticContact CZ2-CZ 3.9Å; W91-F169 HydrophobicContact CZ2-CZ 3.9Å; W91-F169 AromaticContact CZ3-CE2 3.55Å; W91-F169 HydrophobicContact CZ3-CE2 3.55Å; W91-F169 AromaticContact CZ3-CZ 3.83Å; W91-F169 HydrophobicContact CZ3-CZ 3.83Å; D167-F169 HydrophobicContact CB-CE2 3.65Å; D167-F169 HydrophobicContact CB-CZ 3.7Å; F169-N173 WeakPolarHBondContact CD1-O 3.45Å; F169-L174 HydrophobicContact CB-CD2 4.04Å; F169-P175 HydrophobicContact CD1-CB 4.34Å; F169-P175 HydrophobicContact CD1-CG 3.98Å; F169-P175 HydrophobicContact CD2-CG 4.13Å; F169-P175 HydrophobicContact CE1-CB 3.82Å; F169-P175 HydrophobicContact CE1-CG 3.74Å; F169-P175 HydrophobicContact CE2-CG 3.91Å; F169-P175 HydrophobicContact CG-CG 4.14Å; F169-P175 HydrophobicContact CZ-CB 4Å; F169-P175 HydrophobicContact CZ-CG 3.7Å
170S98.2Very high95.6Very high37 Ų3763.8 Ų63.826%0.25934%0.338SS..  trans-78.5158.3169.369.90000110.5D172 N173 L174S170-D172 PolarHBondContact O-N 3.46Å; S170-D172 VanDerWaalsContact O-N 3.1Å; S170-N173 CarbonylContact O-C 3.6Å; S170-N173 PolarHBondContact O-N 2.89Å; S170-N173 VanDerWaalsContact O-N 3.07Å; S170-N173 WeakPolarHBondContact OG-CB 3.49Å; S170-N173 PolarHBondContact OG-N 3.3Å; S170-L174 WeakPolarHBondContact O-CD2 3.2Å
171A96.6Very high96Very high26 Ų2664 Ų6422%0.21534%0.337CS..THydrogen-bonded Turntrans-56.2-28.2178.200000113.7F191A171-F191 HydrophobicContact CB-CD1 4.4Å; A171-F191 HydrophobicContact CB-CD2 3.74Å; A171-F191 HydrophobicContact CB-CE1 4.44Å; A171-F191 HydrophobicContact CB-CE2 3.78Å; A171-F191 HydrophobicContact CB-CG 4.06Å; A171-F191 HydrophobicContact CB-CZ 4.14Å
172D96.7Very high96.4Very high164 Ų16457 Ų5788%0.87730%0.301SS*.THydrogen-bonded Turntrans-94.5-6.7-177.6-58.1-45.8000113.4S170S170-D172 PolarHBondContact O-N 3.46Å; S170-D172 VanDerWaalsContact O-N 3.1Å
173N97.5Very high96.9Very high117 Ų11753.6 Ų53.663%0.62629%0.286SS*.SBendtrans-133.655.8-178-169.940.7000111F169 S170F169-N173 WeakPolarHBondContact CD1-O 3.45Å; S170-N173 CarbonylContact O-C 3.6Å; S170-N173 PolarHBondContact O-N 2.89Å; S170-N173 VanDerWaalsContact O-N 3.07Å; S170-N173 WeakPolarHBondContact OG-CB 3.49Å; S170-N173 PolarHBondContact OG-N 3.3Å
174L98.3Very high97.2Very high38 Ų3859.2 Ų59.220%0.19931%0.313CS..  trans-79.8143.8178.8-64.1176000111.7F169 S170 Q184 I187F169-L174 HydrophobicContact CB-CD2 4.04Å; S170-L174 WeakPolarHBondContact O-CD2 3.2Å; L174-Q184 HydrophobicContact CD1-CB 4.48Å; L174-Q184 HydrophobicContact CD1-CG 3.92Å; L174-I187 HydrophobicContact CD1-CB 4.3Å; L174-I187 HydrophobicContact CD1-CD1 4.29Å; L174-I187 HydrophobicContact CD1-CG2 3.99Å; L174-I187 HydrophobicContact CD2-CD1 4.35Å; L174-I187 HydrophobicContact CD2-CG2 3.87Å
175P98.1Very high97.4Very high19 Ų1962.7 Ų62.712%0.12333%0.328CS..  trans-78.9176176.736.5-36.8000111L83 W91 F169 L177L83-P175 HydrophobicContact CD1-CG 3.82Å; W91-P175 HydrophobicContact CB-CB 4.33Å; W91-P175 HydrophobicContact CB-CG 3.55Å; W91-P175 HydrophobicContact CD2-CB 4.34Å; W91-P175 HydrophobicContact CD2-CG 3.97Å; W91-P175 HydrophobicContact CG-CB 3.82Å; W91-P175 HydrophobicContact CG-CG 3.44Å; W91-P175 VanDerWaalsContact CG-CG 3.44Å; F169-P175 HydrophobicContact CD1-CB 4.34Å; F169-P175 HydrophobicContact CD1-CG 3.98Å; F169-P175 HydrophobicContact CD2-CG 4.13Å; F169-P175 HydrophobicContact CE1-CB 3.82Å; F169-P175 HydrophobicContact CE1-CG 3.74Å; F169-P175 HydrophobicContact CE2-CG 3.91Å; F169-P175 HydrophobicContact CG-CG 4.14Å; F169-P175 HydrophobicContact CZ-CB 4Å; F169-P175 HydrophobicContact CZ-CG 3.7Å; P175-L177 HydrophobicContact CG-CD2 4.3Å; P175-L177 WeakPolarHBondContact O-CG 3.14Å; P175-L177 PolarHBondContact O-N 3.44Å; P175-L177 VanDerWaalsContact O-N 3.09Å
176P97.9Very high97.4Very high93 Ų9358.6 Ų58.660%0.60431%0.308SS*.  trans-57.2114.6169.1-25.335.9000111.8L90 W91L90-P176 HydrophobicContact CD2-CB 3.91Å; W91-P176 PolarHBondContact N-O 3.21Å
177L98.1Very high97.5Very high26 Ų2657.2 Ų57.214%0.13630%0.301CS..BIsolated β-bridgetrans-89.7144.3-173.3-59.2178.5000113L83 W91 P175 K179 Q184 I187L83-L177 HydrophobicContact CD1-CD2 3.99Å; W91-L177 HydrophobicContact CB-CD2 4.41Å; W91-L177 CarbonylContact O-C 3.5Å; W91-L177 WeakPolarHBondContact O-CA 3.15Å; P175-L177 HydrophobicContact CG-CD2 4.3Å; P175-L177 WeakPolarHBondContact O-CG 3.14Å; P175-L177 PolarHBondContact O-N 3.44Å; P175-L177 VanDerWaalsContact O-N 3.09Å; L177-K179 PolarHBondContact O-N 2.92Å; L177-Q184 HydrophobicContact CD1-CB 4.31Å; L177-I187 HydrophobicContact CD1-CD1 3.64Å; L177-I187 HydrophobicContact CD2-CD1 3.64Å; L177-I187 HydrophobicContact CG-CD1 4.3Å
178A96.9Very high97.5Very high7 Ų759.5 Ų59.56%0.05831%0.307CS..  trans-72.588.7166.500000109.8L90 W91 A180 K181 N182L90-A178 HydrophobicContact CB-CB 3.87Å; L90-A178 HydrophobicContact CD1-CB 4.44Å; W91-A178 PolarHBondContact O-N 3.18Å; A178-A180 PolarHBondContact O-N 3.42Å; A178-K181 HydrophobicContact CB-CB 4.43Å; A178-K181 PolarHBondContact O-N 2.59Å; A178-N182 PolarHBondContact O-N 3.35Å
179K95.9Very high97.5Very high152 Ų15257.8 Ų57.866%0.66130%0.303SS*.THydrogen-bonded Turntrans-57-21.9-174.1-65-174.8178.9-176.90114.9N135 L136 L177 K181 N182N135-K179 PolarHBondContact ND2-O 3.46Å; N135-K179 VanDerWaalsContact ND2-O 3.12Å; L136-K179 CarbonylContact O-C 3.5Å; L177-K179 PolarHBondContact O-N 2.92Å; K179-K181 VanDerWaalsContact C-N 3.3Å; K179-N182 WeakPolarHBondContact CA-O 3.37Å
180A95.2Very high97.5Very high33 Ų3356.7 Ų56.727%0.27330%0.298SS..THydrogen-bonded Turntrans-73.1-20174.800000113.9R131 L136 A178R131-A180 PolarHBondContact NE-O 3.18Å; R131-A180 PolarHBondContact NH2-O 3.44Å; L136-A180 WeakPolarHBondContact O-CA 3.45Å; L136-A180 WeakPolarHBondContact O-CB 3.35Å; L136-A180 PolarHBondContact O-N 3.43Å; A178-A180 PolarHBondContact O-N 3.42Å
181K96.2Very high97.5Very high51 Ų5155 Ų5522%0.22229%0.286CS..THydrogen-bonded Turntrans-110.4-37.2-177-67.2-174.5172.6-169.90112.7E86 K145 A178 K179E86-K181 WeakPolarHBondContact OE1-CD 3.45Å; E86-K181 VanDerWaalsContact OE1-CE 3.27Å; E86-K181 WeakPolarHBondContact OE1-CE 3.35Å; E86-K181 IonicContact OE1-NZ 3.75Å; E86-K181 PolarHBondContact OE1-NZ 2.85Å; E86-K181 WeakPolarHBondContact OE2-CE 3.04Å; E86-K181 IonicContact OE2-NZ 3.8Å; E86-K181 PolarHBondContact OE2-NZ 2.91Å; K145-K181 WeakPolarHBondContact CE-O 3.34Å; K145-K181 PolarHBondContact NZ-O 3.43Å; A178-K181 HydrophobicContact CB-CB 4.43Å; A178-K181 PolarHBondContact O-N 2.59Å; K179-K181 VanDerWaalsContact C-N 3.3Å
182N97.4Very high97.6Very high0 Ų057.1 Ų57.10%029%0.294CS..  trans-155.9156.8173.846.6-114.9000113.3S92 L93 A178 K179S92-N182 WeakPolarHBondContact CA-OD1 3.01Å; S92-N182 WeakPolarHBondContact CB-OD1 3.37Å; L93-N182 HydrophobicContact CD1-CB 4.48Å; L93-N182 PolarHBondContact N-OD1 2.85Å; A178-N182 PolarHBondContact O-N 3.35Å; K179-N182 WeakPolarHBondContact CA-O 3.37Å
183S97.2Very high97.7Very high17 Ų1749.3 Ų49.312%0.11925%0.252CS..  trans-109.4169170.582.30000112.6E185 Q186 I187S183-E185 VanDerWaalsContact C-N 3.27Å; S183-E185 VanDerWaalsContact CB-OE2 3.26Å; S183-E185 WeakPolarHBondContact CB-OE2 3.42Å; S183-E185 PolarHBondContact O-N 2.93Å; S183-E185 PolarHBondContact OG-N 3.2Å; S183-E185 PolarHBondContact OG-OE2 3.29Å; S183-Q186 PolarHBondContact O-N 2.85Å; S183-Q186 PolarHBondContact OG-N 3.14Å; S183-Q186 VanDerWaalsContact OG-N 3.11Å; S183-I187 PolarHBondContact O-N 3.33Å
184Q97.5Very high97.7Very high119 Ų11947.2 Ų47.256%0.55624%0.238SC*.Hα-helixtrans-62.8-37.2173.5177.1167.712.400111.3L174 L177 I187 K188L174-Q184 HydrophobicContact CD1-CB 4.48Å; L174-Q184 HydrophobicContact CD1-CG 3.92Å; L177-Q184 HydrophobicContact CD1-CB 4.31Å; Q184-I187 PolarHBondContact O-N 3.02Å; Q184-K188 WeakPolarHBondContact O-CB 3.45Å; Q184-K188 PolarHBondContact O-N 3.26Å
185E97.5Very high97.7Very high131 Ų13151.1 Ų51.161%0.61225%0.254SS*.Hα-helixtrans-64.7-40.8176.7-60.872.5-158.500111.4S183 K188 L189S183-E185 VanDerWaalsContact C-N 3.27Å; S183-E185 VanDerWaalsContact CB-OE2 3.26Å; S183-E185 WeakPolarHBondContact CB-OE2 3.42Å; S183-E185 PolarHBondContact O-N 2.93Å; S183-E185 PolarHBondContact OG-N 3.2Å; S183-E185 PolarHBondContact OG-OE2 3.29Å; E185-K188 PolarHBondContact O-N 3.27Å; E185-L189 WeakPolarHBondContact O-CB 3.43Å; E185-L189 PolarHBondContact O-N 2.64Å
186Q98.5Very high97.6Very high4 Ų451.7 Ų51.72%0.01926%0.26CS..Hα-helixtrans-66.2-40.2175.7-73.2171.7-39.300111.9N135 F147 S183 L189 C190N135-Q186 PolarHBondContact ND2-OE1 2.97Å; N135-Q186 PolarHBondContact OD1-NE2 3.45Å; N135-Q186 VanDerWaalsContact OD1-NE2 3.12Å; F147-Q186 HydrophobicContact CE1-CB 4.2Å; F147-Q186 HydrophobicContact CZ-CB 4.06Å; F147-Q186 HydrophobicContact CZ-CG 3.98Å; S183-Q186 PolarHBondContact O-N 2.85Å; S183-Q186 PolarHBondContact OG-N 3.14Å; S183-Q186 VanDerWaalsContact OG-N 3.11Å; Q186-L189 WeakPolarHBondContact O-CB 3.41Å; Q186-L189 PolarHBondContact O-N 3.3Å; Q186-C190 PolarHBondContact O-N 3.39Å; Q186-C190 VanDerWaalsContact O-N 3.15Å; Q186-C190 PolarHBondContact O-SG 2.9Å
187I98.5Very high97.4Very high0 Ų055.8 Ų55.80%028%0.277CS..Hα-helixtrans-66-43.7174.4-68.5174.9000110.7I81 L83 L174 L177 S183 Q184 L189 C190 F191I81-I187 HydrophobicContact CD1-CG2 4.5Å; I81-I187 HydrophobicContact CG2-CG2 4.1Å; L83-I187 HydrophobicContact CD1-CD1 4.26Å; L83-I187 HydrophobicContact CD2-CD1 4.09Å; L174-I187 HydrophobicContact CD1-CB 4.3Å; L174-I187 HydrophobicContact CD1-CD1 4.29Å; L174-I187 HydrophobicContact CD1-CG2 3.99Å; L174-I187 HydrophobicContact CD2-CD1 4.35Å; L174-I187 HydrophobicContact CD2-CG2 3.87Å; L177-I187 HydrophobicContact CD1-CD1 3.64Å; L177-I187 HydrophobicContact CD2-CD1 3.64Å; L177-I187 HydrophobicContact CG-CD1 4.3Å; S183-I187 PolarHBondContact O-N 3.33Å; Q184-I187 PolarHBondContact O-N 3.02Å; I187-L189 VanDerWaalsContact C-N 3.27Å; I187-L189 PolarHBondContact O-N 3.03Å; I187-C190 VanDerWaalsContact O-CB 3.3Å; I187-C190 WeakPolarHBondContact O-CB 3.32Å; I187-C190 PolarHBondContact O-N 3.4Å; I187-F191 HydrophobicContact CG2-CD2 4Å; I187-F191 HydrophobicContact CG2-CE2 3.79Å; I187-F191 WeakPolarHBondContact O-CD2 3.28Å; I187-F191 PolarHBondContact O-N 3.46Å; I187-F191 VanDerWaalsContact O-N 3.14Å
188K98.1Very high97.3Very high125 Ų12560.4 Ų60.454%0.54330%0.302SS..Hα-helixtrans-58.5-41.4174.9-175.2179.7176.8-177.70111.5Q184 E185 C190 F191 D192Q184-K188 WeakPolarHBondContact O-CB 3.45Å; Q184-K188 PolarHBondContact O-N 3.26Å; E185-K188 PolarHBondContact O-N 3.27Å; K188-C190 PolarHBondContact O-N 3.37Å; K188-F191 WeakPolarHBondContact O-CB 3.42Å; K188-F191 PolarHBondContact O-N 2.83Å; K188-D192 PolarHBondContact O-N 3.42Å
189L98.2Very high97.3Very high31 Ų3162.9 Ų62.916%0.16231%0.31CS..Hα-helixtrans-58.1-38174.9-173.868.7000112.1I126 A127 E185 Q186 I187 D192 A193 W199 P202I126-L189 HydrophobicContact CG2-CG 4.32Å; A127-L189 HydrophobicContact CB-CD2 3.51Å; E185-L189 WeakPolarHBondContact O-CB 3.43Å; E185-L189 PolarHBondContact O-N 2.64Å; Q186-L189 WeakPolarHBondContact O-CB 3.41Å; Q186-L189 PolarHBondContact O-N 3.3Å; I187-L189 VanDerWaalsContact C-N 3.27Å; I187-L189 PolarHBondContact O-N 3.03Å; L189-D192 PolarHBondContact O-N 3.03Å; L189-A193 WeakPolarHBondContact O-CB 3.49Å; L189-A193 PolarHBondContact O-N 3.11Å; L189-W199 HydrophobicContact CD1-CH2 3.64Å; L189-W199 HydrophobicContact CD1-CZ2 3.78Å; L189-W199 HydrophobicContact CG-CH2 4.43Å; L189-W199 HydrophobicContact CG-CZ2 4.23Å; L189-P202 HydrophobicContact CD1-CG 4.11Å; L189-P202 HydrophobicContact CD2-CG 4.13Å
190C98.7Very high97.4Very high0 Ų062.2 Ų62.20%031%0.309CS..Hα-helixtrans-63.8-43.5174-590000111.6A74 F76 I81 I126 Q186 I187 K188 A193 H194A74-C190 HydrophobicContact CB-CB 3.9Å; F76-C190 HydrophobicContact CZ-CB 3.93Å; F76-C190 WeakPolarHBondContact CZ-O 3.3Å; I81-C190 HydrophobicContact CD1-CB 3.91Å; I126-C190 HydrophobicContact CD1-CB 4Å; Q186-C190 PolarHBondContact O-N 3.39Å; Q186-C190 VanDerWaalsContact O-N 3.15Å; Q186-C190 PolarHBondContact O-SG 2.9Å; I187-C190 VanDerWaalsContact O-CB 3.3Å; I187-C190 WeakPolarHBondContact O-CB 3.32Å; I187-C190 PolarHBondContact O-N 3.4Å; K188-C190 PolarHBondContact O-N 3.37Å; C190-A193 PolarHBondContact O-N 3.45Å; C190-H194 WeakPolarHBondContact O-CB 3.45Å; C190-H194 PolarHBondContact O-N 2.97Å
191F98.7Very high97.5Very high2 Ų263.3 Ų63.31%0.00931%0.312CS..Hα-helixtrans-63.3-40.7175-81.8-79.7000112.7F76 N79 I81 A171 I187 K188 A193 H194 K195F76-F191 HydrophobicContact CD1-CD1 4.25Å; F76-F191 HydrophobicContact CD1-CE1 4.03Å; F76-F191 AromaticContact CE1-CD1 3.6Å; F76-F191 HydrophobicContact CE1-CD1 3.6Å; F76-F191 HydrophobicContact CE1-CD2 4.33Å; F76-F191 AromaticContact CE1-CE1 3.67Å; F76-F191 HydrophobicContact CE1-CE1 3.67Å; F76-F191 HydrophobicContact CE1-CE2 4.38Å; F76-F191 AromaticContact CE1-CG 3.96Å; F76-F191 HydrophobicContact CE1-CG 3.96Å; F76-F191 HydrophobicContact CE1-CZ 4.07Å; N79-F191 WeakPolarHBondContact O-CE1 3.38Å; I81-F191 HydrophobicContact CB-CE2 3.94Å; I81-F191 HydrophobicContact CB-CZ 3.77Å; I81-F191 HydrophobicContact CG2-CE2 3.68Å; I81-F191 HydrophobicContact CG2-CZ 3.81Å; A171-F191 HydrophobicContact CB-CD1 4.4Å; A171-F191 HydrophobicContact CB-CD2 3.74Å; A171-F191 HydrophobicContact CB-CE1 4.44Å; A171-F191 HydrophobicContact CB-CE2 3.78Å; A171-F191 HydrophobicContact CB-CG 4.06Å; A171-F191 HydrophobicContact CB-CZ 4.14Å; I187-F191 HydrophobicContact CG2-CD2 4Å; I187-F191 HydrophobicContact CG2-CE2 3.79Å; I187-F191 WeakPolarHBondContact O-CD2 3.28Å; I187-F191 PolarHBondContact O-N 3.46Å; I187-F191 VanDerWaalsContact O-N 3.14Å; K188-F191 WeakPolarHBondContact O-CB 3.42Å; K188-F191 PolarHBondContact O-N 2.83Å; F191-A193 VanDerWaalsContact C-N 3.34Å; F191-H194 PolarHBondContact O-N 2.85Å; F191-K195 VanDerWaalsContact O-CG 3.31Å; F191-K195 WeakPolarHBondContact O-CG 3.45Å; F191-K195 PolarHBondContact O-N 3.14Å; F191-K195 VanDerWaalsContact O-N 3.11Å
192D98.3Very high97.6Very high70 Ų7063.3 Ų63.337%0.37432%0.317SS..Hα-helixtrans-63.6-43.3177.9-67.7-20.8000110.3K188 L189 K195 A196 W199K188-D192 PolarHBondContact O-N 3.42Å; L189-D192 PolarHBondContact O-N 3.03Å; D192-K195 PolarHBondContact O-N 3.42Å; D192-A196 WeakPolarHBondContact O-CB 3.36Å; D192-A196 PolarHBondContact O-N 3.2Å; D192-A196 VanDerWaalsContact O-N 3.14Å; D192-W199 HydrophobicContact CB-CH2 4.11Å; D192-W199 HydrophobicContact CB-CZ3 4.06Å
193A98.4Very high97.6Very high0 Ų071.2 Ų71.20%035%0.352CS..Hα-helixtrans-62.1-42.9174.800000113.1K124 I126 L189 C190 F191 K195 A196 W199K124-A193 PolarHBondContact NZ-O 3.27Å; I126-A193 HydrophobicContact CB-CB 4.28Å; I126-A193 HydrophobicContact CG1-CB 3.93Å; I126-A193 HydrophobicContact CG2-CB 3.8Å; L189-A193 WeakPolarHBondContact O-CB 3.49Å; L189-A193 PolarHBondContact O-N 3.11Å; C190-A193 PolarHBondContact O-N 3.45Å; F191-A193 VanDerWaalsContact C-N 3.34Å; A193-K195 VanDerWaalsContact C-N 3.31Å; A193-K195 PolarHBondContact O-N 3.14Å; A193-A196 PolarHBondContact O-N 2.96Å; A193-W199 VanDerWaalsContact CA-CD2 3.5Å; A193-W199 VanDerWaalsContact CA-CE3 3.47Å; A193-W199 HydrophobicContact CB-CD2 3.59Å; A193-W199 HydrophobicContact CB-CE3 4.05Å; A193-W199 HydrophobicContact CB-CG 4.03Å; A193-W199 HydrophobicContact CB-CH2 4.01Å; A193-W199 HydrophobicContact CB-CZ2 3.59Å; A193-W199 HydrophobicContact CB-CZ3 4.23Å
194H98.2Very high97.5Very high73 Ų7374.8 Ų74.834%0.33837%0.37SS..Hα-helixtrans-64.2-35.4179.7-178.260.3000112.5F76 E149 C190 F191F76-H194 HydrophobicContact CD1-CB 4.49Å; F76-H194 AromaticContact CD1-CD2 3.89Å; F76-H194 HydrophobicContact CD2-CB 3.87Å; F76-H194 AromaticContact CD2-CE1 3.96Å; F76-H194 AromaticContact CD2-CG 3.52Å; F76-H194 AromaticContact CD2-ND1 3.48Å; F76-H194 WeakPolarHBondContact CD2-ND1 3.41Å; F76-H194 HydrophobicContact CE1-CB 4.22Å; F76-H194 HydrophobicContact CE2-CB 3.57Å; F76-H194 AromaticContact CE2-CG 3.78Å; F76-H194 HydrophobicContact CG-CB 4.32Å; F76-H194 AromaticContact CG-CD2 3.69Å; F76-H194 AromaticContact CG-CE1 3.9Å; F76-H194 AromaticContact CG-CG 3.7Å; F76-H194 AromaticContact CG-ND1 3.83Å; F76-H194 AromaticContact CG-NE2 3.83Å; F76-H194 HydrophobicContact CZ-CB 3.75Å; E149-H194 IonicContact OE1-CE1 3.67Å; E149-H194 IonicContact OE1-CG 3.75Å; E149-H194 IonicContact OE1-ND1 2.75Å; E149-H194 PolarHBondContact OE1-ND1 3.2Å; C190-H194 WeakPolarHBondContact O-CB 3.45Å; C190-H194 PolarHBondContact O-N 2.97Å; F191-H194 PolarHBondContact O-N 2.85Å
195K97.6Very high97.5Very high120 Ų12072.6 Ų72.652%0.52236%0.36SS..Hα-helixtrans-84.9-15.3-178.9-67.6168.8-173.5171.10113.7N79 F191 D192 A193N79-K195 VanDerWaalsContact OD1-CE 3.3Å; N79-K195 WeakPolarHBondContact OD1-CE 3.31Å; F191-K195 VanDerWaalsContact O-CG 3.31Å; F191-K195 WeakPolarHBondContact O-CG 3.45Å; F191-K195 PolarHBondContact O-N 3.14Å; F191-K195 VanDerWaalsContact O-N 3.11Å; D192-K195 PolarHBondContact O-N 3.42Å; A193-K195 VanDerWaalsContact C-N 3.31Å; A193-K195 PolarHBondContact O-N 3.14Å
196A97Very high97.5Very high31 Ų3169.5 Ų69.526%0.25635%0.347SS..  trans-83128.6-176.400000112.3D192 A193 W199D192-A196 WeakPolarHBondContact O-CB 3.36Å; D192-A196 PolarHBondContact O-N 3.2Å; D192-A196 VanDerWaalsContact O-N 3.14Å; A193-A196 PolarHBondContact O-N 2.96Å; A196-W199 HydrophobicContact CB-CB 4.21Å; A196-W199 HydrophobicContact CB-CE3 3.68Å; A196-W199 HydrophobicContact CB-CZ3 4.46Å
197N93.3Very high97.4Very high179 Ų17973.2 Ų73.296%0.95737%0.365SS*.SBendtrans-71.8-32.5173.7-70.3-29.8000112.9
198D95.2Very high97.4Very high123 Ų12377.5 Ų77.566%0.65839%0.387SS*.SBendtrans-128.887.5177.7-175.737.5000108.9H200D198-H200 IonicContact OD1-NE2 2.89Å; D198-H200 IonicContact OD2-CD2 3.68Å; D198-H200 IonicContact OD2-CE1 2.64Å; D198-H200 IonicContact OD2-NE2 3.55Å; D198-H200 PolarHBondContact OD2-NE2 2.89Å
199W97.7Very high97.3Very high59 Ų5974.5 Ų74.522%0.22338%0.377CS..  trans-89.5117.1-175.8-177.1-108.6000111.4I126 L189 D192 A193 A196 P202I126-W199 PolarHBondContact O-NE1 2.88Å; L189-W199 HydrophobicContact CD1-CH2 3.64Å; L189-W199 HydrophobicContact CD1-CZ2 3.78Å; L189-W199 HydrophobicContact CG-CH2 4.43Å; L189-W199 HydrophobicContact CG-CZ2 4.23Å; D192-W199 HydrophobicContact CB-CH2 4.11Å; D192-W199 HydrophobicContact CB-CZ3 4.06Å; A193-W199 VanDerWaalsContact CA-CD2 3.5Å; A193-W199 VanDerWaalsContact CA-CE3 3.47Å; A193-W199 HydrophobicContact CB-CD2 3.59Å; A193-W199 HydrophobicContact CB-CE3 4.05Å; A193-W199 HydrophobicContact CB-CG 4.03Å; A193-W199 HydrophobicContact CB-CH2 4.01Å; A193-W199 HydrophobicContact CB-CZ2 3.59Å; A193-W199 HydrophobicContact CB-CZ3 4.23Å; A196-W199 HydrophobicContact CB-CB 4.21Å; A196-W199 HydrophobicContact CB-CE3 3.68Å; A196-W199 HydrophobicContact CB-CZ3 4.46Å; W199-P202 HydrophobicContact CZ2-CG 4.18Å
200H97.7Very high97.2Very high138 Ų13877.4 Ų77.464%0.63939%0.392SS*.  trans-91.7115.7172.4-67.4-97.9000108.5D198 P202D198-H200 IonicContact OD1-NE2 2.89Å; D198-H200 IonicContact OD2-CD2 3.68Å; D198-H200 IonicContact OD2-CE1 2.64Å; D198-H200 IonicContact OD2-NE2 3.55Å; D198-H200 PolarHBondContact OD2-NE2 2.89Å; H200-P202 WeakPolarHBondContact O-CD 3.33Å; H200-P202 VanDerWaalsContact O-N 3.14Å
201V98.4Very high97.1Very high57 Ų5782.9 Ų82.935%0.34542%0.42SS..  trans-64.8111.1-175-178.50000110.1I125 V128I125-V201 HydrophobicContact CB-CG2 4.47Å; I125-V201 HydrophobicContact CG2-CG1 3.77Å; I125-V201 WeakPolarHBondContact O-CG2 3.36Å; V128-V201 HydrophobicContact CG2-CG1 4.47Å
202P97.9Very high97Very high51 Ų5189.2 Ų89.233%0.33145%0.451SS..  trans-68.9140.5170.930.4-35.5000110.2I126 A127 V128 L189 W199 H200I126-P202 WeakPolarHBondContact O-CD 3.21Å; A127-P202 WeakPolarHBondContact CA-O 3.45Å; A127-P202 HydrophobicContact CB-CG 3.99Å; V128-P202 PolarHBondContact N-O 2.9Å; V128-P202 VanDerWaalsContact N-O 3.11Å; L189-P202 HydrophobicContact CD1-CG 4.11Å; L189-P202 HydrophobicContact CD2-CG 4.13Å; W199-P202 HydrophobicContact CZ2-CG 4.18Å; H200-P202 WeakPolarHBondContact O-CD 3.33Å; H200-P202 VanDerWaalsContact O-N 3.14Å
203F97.6Very high96.9Very high166 Ų16690.8 Ų90.873%0.72846%0.457SS*.BIsolated β-bridgetrans-143.8157.4173.265.8-85.6000111.8V128V128-F203 HydrophobicContact CB-CB 3.94Å; V128-F203 WeakPolarHBondContact O-CA 3.3Å
204D94.1Very high96.8Very high92 Ų9299 Ų9949%0.49250%0.499SS..  trans-135.50177.566.366.2000113.5V128 D130 K133 H134V128-D204 PolarHBondContact O-N 3.18Å; D130-D204 WeakPolarHBondContact CB-OD1 3.47Å; D130-D204 PolarHBondContact N-OD1 3.26Å; K133-D204 HydrophobicContact CD-CB 4.41Å; K133-D204 IonicContact NZ-OD1 3.63Å; K133-D204 PolarHBondContact NZ-OD1 3.07Å; K133-D204 PolarHBondContact NZ-OXT 2.72Å; H134-D204 IonicContact CD2-OD2 2.59Å; H134-D204 PolarHBondContact CD2-OD2 3.12Å; H134-D204 IonicContact CE1-OD2 2.71Å; H134-D204 IonicContact NE2-OD2 3.91Å; H134-D204 PolarHBondContact NE2-OD2 3.18Å

Retrieved 204 of 204 residues in 179 ms (Link to these results)

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