A0A5K4F1J9_SCHMA Loading...

DnaJ homolog subfamily C member 16

Plays an important role in regulating the size of autophagosomes during the formation process.

AlphaFold DB , UniProt , Accession A0A5K4F1J9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 966 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
1M57.1Low62.3Low213 Ų213123 Ų123100%1.04963%0.627SS**  0-49.90-74.1-179.981.300113.9L3 S4 L5M1-L3 PolarHBondContact O-N 3.23Å; M1-S4 PolarHBondContact O-N 2.99Å; M1-L5 PolarHBondContact O-N 3.2Å
2K63.8Low61.2Low192 Ų192125.3 Ų125.384%0.83563%0.63SS**Hα-helixtrans-57.3-38.3-176.8-70.9-174.1176.9-178.40115.1F6K2-F6 PolarHBondContact O-N 3.28Å
3L66.4Low60.1Low140 Ų140122.8 Ų122.873%0.73362%0.618SS**Hα-helixtrans-68-38.5178.5-155.979.8000113M1 F6 I7M1-L3 PolarHBondContact O-N 3.23Å; L3-F6 PolarHBondContact O-N 3.31Å; L3-I7 HydrophobicContact CG-CD1 4.44Å; L3-I7 WeakPolarHBondContact O-CG1 3.28Å; L3-I7 PolarHBondContact O-N 3.45Å
4S70.9Confident59.2Low69 Ų69128.8 Ų128.848%0.48363%0.63SS.*Hα-helixtrans-67.1-38178.2-173.30000112M1 F6 I7 Q8M1-S4 PolarHBondContact O-N 2.99Å; S4-F6 VanDerWaalsContact C-N 3.32Å; S4-I7 PolarHBondContact O-N 3.46Å; S4-Q8 WeakPolarHBondContact O-CB 3.37Å; S4-Q8 PolarHBondContact O-N 3.21Å
5L67.6Low58.5Low120 Ų120133.8 Ų133.863%0.62864%0.641SS**Hα-helixtrans-66.8-37.8176.3-158.1100.2000110.9M1 Q8 L9M1-L5 PolarHBondContact O-N 3.2Å; L5-Q8 PolarHBondContact O-N 3.07Å; L5-L9 VanDerWaalsContact O-CB 3.28Å; L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 PolarHBondContact O-N 2.87Å
6F68Low57.8Low158 Ų158131.4 Ų131.469%0.69364%0.638SS**Hα-helixtrans-66.6-39.8177.2-129.9-87.8000112.3K2 L3 S4 A10K2-F6 PolarHBondContact O-N 3.28Å; L3-F6 PolarHBondContact O-N 3.31Å; S4-F6 VanDerWaalsContact C-N 3.32Å; F6-A10 WeakPolarHBondContact O-CB 3.21Å; F6-A10 PolarHBondContact O-N 2.86Å
7I70.7Confident57.3Low97 Ų97129.4 Ų129.450%0.49764%0.635SS.*Hα-helixtrans-68.6-42.2176.4-65.7164000110.7L3 S4 A10 L11L3-I7 HydrophobicContact CG-CD1 4.44Å; L3-I7 WeakPolarHBondContact O-CG1 3.28Å; L3-I7 PolarHBondContact O-N 3.45Å; S4-I7 PolarHBondContact O-N 3.46Å; I7-A10 PolarHBondContact O-N 2.83Å; I7-L11 HydrophobicContact CG2-CD1 3.89Å; I7-L11 WeakPolarHBondContact O-CB 3.38Å; I7-L11 WeakPolarHBondContact O-CG 3.37Å; I7-L11 PolarHBondContact O-N 3.47Å
8Q60.3Low57.4Low120 Ų120127.9 Ų127.956%0.56164%0.638SS**Hα-helixtrans-65.6-40.9175.9-79-175.6-23.200112.1S4 L5 L11 F12S4-Q8 WeakPolarHBondContact O-CB 3.37Å; S4-Q8 PolarHBondContact O-N 3.21Å; L5-Q8 PolarHBondContact O-N 3.07Å; Q8-L11 PolarHBondContact O-N 3.03Å; Q8-F12 WeakPolarHBondContact O-CB 3.42Å; Q8-F12 PolarHBondContact O-N 2.85Å
9L53.5Low58.7Low101 Ų101122.5 Ų122.553%0.52961%0.612SS.*Hα-helixtrans-66.5-41.4175.7-162.978.4000111L5 F12 I13L5-L9 VanDerWaalsContact O-CB 3.28Å; L5-L9 WeakPolarHBondContact O-CB 3.49Å; L5-L9 PolarHBondContact O-N 2.87Å; L9-F12 PolarHBondContact O-N 3.4Å; L9-I13 HydrophobicContact CD2-CD1 4.28Å; L9-I13 HydrophobicContact CG-CD1 3.98Å; L9-I13 WeakPolarHBondContact O-CB 3.45Å; L9-I13 WeakPolarHBondContact O-CD1 3.41Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 3.41Å
10A54.3Low60.1Low47 Ų47118.4 Ų118.439%0.38859%0.589SS.*Hα-helixtrans-65.2-37.9175.500000112.4F6 I7 R14F6-A10 WeakPolarHBondContact O-CB 3.21Å; F6-A10 PolarHBondContact O-N 2.86Å; I7-A10 PolarHBondContact O-N 2.83Å; A10-R14 WeakPolarHBondContact O-CB 3.34Å; A10-R14 WeakPolarHBondContact O-CG 3.47Å; A10-R14 PolarHBondContact O-N 3.17Å
11L52.1Low61.4Low96 Ų96112.8 Ų112.850%0.50356%0.561SS.*Hα-helixtrans-68-37.9172.8-81.8164.4000111.9I7 Q8 R14 Y15I7-L11 HydrophobicContact CG2-CD1 3.89Å; I7-L11 WeakPolarHBondContact O-CB 3.38Å; I7-L11 WeakPolarHBondContact O-CG 3.37Å; I7-L11 PolarHBondContact O-N 3.47Å; Q8-L11 PolarHBondContact O-N 3.03Å; L11-R14 PolarHBondContact O-N 2.82Å; L11-Y15 PolarHBondContact O-N 3.26Å; L11-Y15 VanDerWaalsContact O-N 3.17Å
12F49.6Very low62.9Low151 Ų151108.5 Ų108.566%0.66254%0.542SS*.Hα-helixtrans-65.6-46.2174.5-113.4-88.1000111.5Q8 L9 R14 Y15 T16Q8-F12 WeakPolarHBondContact O-CB 3.42Å; Q8-F12 PolarHBondContact O-N 2.85Å; L9-F12 PolarHBondContact O-N 3.4Å; F12-R14 VanDerWaalsContact C-N 3.28Å; F12-R14 PolarHBondContact O-N 3.34Å; F12-Y15 PolarHBondContact O-N 3.02Å; F12-T16 WeakPolarHBondContact O-CG2 3.18Å; F12-T16 PolarHBondContact O-N 3.08Å; F12-T16 VanDerWaalsContact O-N 3.12Å; F12-T16 PolarHBondContact O-OG1 3.2Å
13I47.4Very low64Low92 Ų92101 Ų10147%0.47251%0.512SS..Hα-helixtrans-60.7-40.9178-67.2160.7000110.2L9 Y15 T16L9-I13 HydrophobicContact CD2-CD1 4.28Å; L9-I13 HydrophobicContact CG-CD1 3.98Å; L9-I13 WeakPolarHBondContact O-CB 3.45Å; L9-I13 WeakPolarHBondContact O-CD1 3.41Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 3.41Å; I13-Y15 VanDerWaalsContact C-N 3.26Å; I13-Y15 PolarHBondContact O-N 3.37Å; I13-T16 WeakPolarHBondContact CA-OG1 3.42Å; I13-T16 PolarHBondContact O-N 3.24Å; I13-T16 PolarHBondContact O-OG1 3.12Å; I13-T16 VanDerWaalsContact O-OG1 3.08Å
14R46.3Very low64.9Low207 Ų20794.6 Ų94.678%0.78148%0.479SS*.Hα-helixtrans-63.5-27.9175-78.3-168.4-177.9-149.71.6113.8A10 L11 F12A10-R14 WeakPolarHBondContact O-CB 3.34Å; A10-R14 WeakPolarHBondContact O-CG 3.47Å; A10-R14 PolarHBondContact O-N 3.17Å; L11-R14 PolarHBondContact O-N 2.82Å; F12-R14 VanDerWaalsContact C-N 3.28Å; F12-R14 PolarHBondContact O-N 3.34Å
15Y49.4Very low65.7Low204 Ų20494.5 Ų94.580%0.849%0.489SS*.Hα-helixtrans-85-16.4176.5-103.3-80.8000113.9L11 F12 I13L11-Y15 PolarHBondContact O-N 3.26Å; L11-Y15 VanDerWaalsContact O-N 3.17Å; F12-Y15 PolarHBondContact O-N 3.02Å; I13-Y15 VanDerWaalsContact C-N 3.26Å; I13-Y15 PolarHBondContact O-N 3.37Å
16T47.9Very low66.8Low96 Ų9689.9 Ų89.959%0.58947%0.466SS*.Hα-helixtrans-97.8-7.2-174.252.50000115.2F12 I13F12-T16 WeakPolarHBondContact O-CG2 3.18Å; F12-T16 PolarHBondContact O-N 3.08Å; F12-T16 VanDerWaalsContact O-N 3.12Å; F12-T16 PolarHBondContact O-OG1 3.2Å; I13-T16 WeakPolarHBondContact CA-OG1 3.42Å; I13-T16 PolarHBondContact O-N 3.24Å; I13-T16 PolarHBondContact O-OG1 3.12Å; I13-T16 VanDerWaalsContact O-OG1 3.08Å
17T49.4Very low67.7Low97 Ų9785.4 Ų85.460%0.59545%0.454SS*.  trans-98.693.9173.956.10000108.9D19T17-D19 PolarHBondContact O-N 3.28Å
18C59.2Low68.4Low102 Ų10286.9 Ų86.969%0.68946%0.457SS*.  trans-62.8105.3170.6-69.60000108.8V23C18-V23 HydrophobicContact CB-CG2 4.47Å
19D80.8Confident69.5Low25 Ų2586.3 Ų86.313%0.13447%0.466CS..  trans-74.1137.7173.8-165.1-27.9000109.1T17 Y21 D22 V23 K28 Y79T17-D19 PolarHBondContact O-N 3.28Å; D19-Y21 PolarHBondContact O-N 3.13Å; D19-Y21 VanDerWaalsContact OD1-CD2 3.27Å; D19-Y21 WeakPolarHBondContact OD1-CD2 3.3Å; D19-Y21 PolarHBondContact OD1-N 3.45Å; D19-D22 HydrophobicContact CB-CB 4.42Å; D19-D22 WeakPolarHBondContact O-CB 3.43Å; D19-D22 PolarHBondContact O-N 2.68Å; D19-V23 PolarHBondContact O-N 3.5Å; D19-V23 VanDerWaalsContact O-N 3.11Å; D19-K28 WeakPolarHBondContact OD2-CE 3.06Å; D19-K28 IonicContact OD2-NZ 2.69Å; D19-K28 PolarHBondContact OD2-NZ 3.19Å; D19-Y79 WeakPolarHBondContact CA-OH 3.44Å; D19-Y79 WeakPolarHBondContact OD1-CE1 3.4Å; D19-Y79 PolarHBondContact OD1-OH 2.98Å; D19-Y79 VanDerWaalsContact OD1-OH 3.13Å
20Y86.3Confident71Confident41 Ų4181.6 Ų81.616%0.16144%0.441CS..Hα-helixtrans-59.9-29.7-179.8-69-45.1000112.2D22 V23 L24 E65 A66 V69 Y79Y20-D22 VanDerWaalsContact C-N 3.34Å; Y20-V23 PolarHBondContact O-N 2.96Å; Y20-L24 PolarHBondContact O-N 2.69Å; Y20-E65 HydrophobicContact CE1-CG 3.93Å; Y20-E65 PolarHBondContact OH-OE1 3.46Å; Y20-A66 HydrophobicContact CD1-CB 3.66Å; Y20-A66 HydrophobicContact CG-CB 4.05Å; Y20-V69 HydrophobicContact CD2-CB 3.98Å; Y20-V69 HydrophobicContact CD2-CG1 3.8Å; Y20-V69 HydrophobicContact CD2-CG2 4.28Å; Y20-V69 HydrophobicContact CE2-CB 3.99Å; Y20-V69 HydrophobicContact CE2-CG1 3.93Å; Y20-V69 HydrophobicContact CE2-CG2 3.77Å; Y20-Y79 HydrophobicContact CD2-CD1 4Å; Y20-Y79 AromaticContact CD2-CD2 3.52Å; Y20-Y79 HydrophobicContact CD2-CD2 3.52Å; Y20-Y79 AromaticContact CD2-CE1 3.67Å; Y20-Y79 HydrophobicContact CD2-CE1 3.67Å; Y20-Y79 AromaticContact CD2-CE2 3.16Å; Y20-Y79 HydrophobicContact CD2-CE2 3.16Å; Y20-Y79 AromaticContact CD2-CG 3.92Å; Y20-Y79 HydrophobicContact CD2-CG 3.92Å; Y20-Y79 AromaticContact CD2-CZ 3.22Å; Y20-Y79 AromaticContact CE2-CD2 3.5Å; Y20-Y79 HydrophobicContact CE2-CD2 3.5Å; Y20-Y79 AromaticContact CE2-CE2 3.23Å; Y20-Y79 HydrophobicContact CE2-CE2 3.23Å; Y20-Y79 HydrophobicContact CE2-CG 4.27Å; Y20-Y79 AromaticContact CE2-CZ 3.82Å; Y20-Y79 HydrophobicContact CG-CE1 4.26Å; Y20-Y79 HydrophobicContact CG-CE2 4.16Å; Y20-Y79 AromaticContact CG-CZ 3.85Å; Y20-Y79 PolarHBondContact N-OH 2.91Å
21Y88.7Confident72.5Confident1 Ų181.9 Ų81.90%0.00444%0.441CS..Hα-helixtrans-64.6-38173.9-67.2-77.4000112.1D19 L24 G25 V26 S27 K28 L70 R76 Y79 D80D19-Y21 PolarHBondContact O-N 3.13Å; D19-Y21 VanDerWaalsContact OD1-CD2 3.27Å; D19-Y21 WeakPolarHBondContact OD1-CD2 3.3Å; D19-Y21 PolarHBondContact OD1-N 3.45Å; Y21-L24 PolarHBondContact O-N 3.12Å; Y21-G25 PolarHBondContact O-N 3.28Å; Y21-V26 HydrophobicContact CD1-CG2 4.12Å; Y21-V26 PolarHBondContact O-N 3.16Å; Y21-S27 WeakPolarHBondContact CD1-O 3.01Å; Y21-K28 HydrophobicContact CD1-CG 4.49Å; Y21-K28 HydrophobicContact CD2-CB 4.46Å; Y21-K28 HydrophobicContact CD2-CD 4.27Å; Y21-K28 HydrophobicContact CD2-CG 3.77Å; Y21-K28 HydrophobicContact CE2-CB 4.39Å; Y21-K28 HydrophobicContact CE2-CD 4.41Å; Y21-K28 HydrophobicContact CE2-CG 4.07Å; Y21-K28 HydrophobicContact CG-CG 4Å; Y21-L70 HydrophobicContact CD1-CD1 3.94Å; Y21-L70 HydrophobicContact CD1-CD2 4.19Å; Y21-L70 HydrophobicContact CD2-CD2 4.35Å; Y21-L70 HydrophobicContact CE1-CD1 4.15Å; Y21-L70 HydrophobicContact CE1-CD2 3.64Å; Y21-L70 HydrophobicContact CE2-CD2 3.83Å; Y21-L70 HydrophobicContact CG-CD1 4.24Å; Y21-L70 VanDerWaalsContact CZ-CD2 3.44Å; Y21-R76 WeakPolarHBondContact OH-CG 3.45Å; Y21-R76 PolarHBondContact OH-NE 2.86Å; Y21-Y79 HydrophobicContact CD2-CE1 4.38Å; Y21-Y79 HydrophobicContact CE2-CD1 4.31Å; Y21-Y79 HydrophobicContact CE2-CE1 4.25Å; Y21-D80 WeakPolarHBondContact CE2-OD1 3.09Å; Y21-D80 VanDerWaalsContact OH-CG 3.28Å; Y21-D80 PolarHBondContact OH-OD1 3.35Å; Y21-D80 PolarHBondContact OH-OD2 3.19Å; Y21-D80 VanDerWaalsContact OH-OD2 3.05Å
22D87.5Confident73.9Confident122 Ų12281.2 Ų81.265%0.65244%0.438SS*.Hα-helixtrans-71.7-36.2178.1-68.7-24.9000111.5D19 Y20 L24 G25D19-D22 HydrophobicContact CB-CB 4.42Å; D19-D22 WeakPolarHBondContact O-CB 3.43Å; D19-D22 PolarHBondContact O-N 2.68Å; Y20-D22 VanDerWaalsContact C-N 3.34Å; D22-L24 VanDerWaalsContact C-N 3.32Å; D22-L24 PolarHBondContact O-N 3.46Å; D22-G25 PolarHBondContact O-N 2.9Å; D22-G25 VanDerWaalsContact O-N 3.13Å
23V86.9Confident75.4Confident34 Ų3480 Ų8021%0.20644%0.438CS..Hα-helixtrans-60.4-42.5175.1176.60000111.1C18 D19 Y20 L42 E62 I63 A66C18-V23 HydrophobicContact CB-CG2 4.47Å; D19-V23 PolarHBondContact O-N 3.5Å; D19-V23 VanDerWaalsContact O-N 3.11Å; Y20-V23 PolarHBondContact O-N 2.96Å; V23-L42 WeakPolarHBondContact O-CD1 3.48Å; V23-E62 HydrophobicContact CG1-CB 4.12Å; V23-I63 HydrophobicContact CG1-CG1 4.13Å; V23-A66 HydrophobicContact CB-CB 4Å; V23-A66 HydrophobicContact CG1-CB 3.91Å
24L86.4Confident77.1Confident6 Ų680.3 Ų80.33%0.03144%0.437CS..Hα-helixtrans-81.8-14.4175.7-69.4-175.6000113.6Y20 Y21 D22 V26 I35 L42 I63 A66 L70Y20-L24 PolarHBondContact O-N 2.69Å; Y21-L24 PolarHBondContact O-N 3.12Å; D22-L24 VanDerWaalsContact C-N 3.32Å; D22-L24 PolarHBondContact O-N 3.46Å; L24-V26 HydrophobicContact CB-CG2 3.86Å; L24-I35 HydrophobicContact CD1-CG2 3.83Å; L24-L42 HydrophobicContact CD2-CD1 4.09Å; L24-L42 WeakPolarHBondContact O-CD1 3.47Å; L24-I63 HydrophobicContact CD2-CG2 4.04Å; L24-A66 HydrophobicContact CD1-CB 4.44Å; L24-A66 HydrophobicContact CD2-CB 4.41Å; L24-A66 HydrophobicContact CG-CB 3.98Å; L24-L70 HydrophobicContact CD1-CD1 3.81Å
25G87.5Confident79Confident67 Ų6770.5 Ų70.569%0.69140%0.4SS*.THydrogen-bonded Turntrans6836.1-17700000113.3Y21 D22Y21-G25 PolarHBondContact O-N 3.28Å; D22-G25 PolarHBondContact O-N 2.9Å; D22-G25 VanDerWaalsContact O-N 3.13Å
26V90Very high80.5Confident24 Ų2463.7 Ų63.715%0.14537%0.374CS..  trans-119.7155.8-179.4-67.40000111Y21 L24 A30 I35 A38Y21-V26 HydrophobicContact CD1-CG2 4.12Å; Y21-V26 PolarHBondContact O-N 3.16Å; L24-V26 HydrophobicContact CB-CG2 3.86Å; V26-A30 HydrophobicContact CB-CB 3.84Å; V26-A30 HydrophobicContact CG2-CB 4.26Å; V26-I35 HydrophobicContact CG2-CG1 4.25Å; V26-A38 HydrophobicContact CG1-CB 3.4Å; V26-A38 VanDerWaalsContact CG1-CB 3.4Å
27S87.9Confident82Confident63 Ų6361.7 Ų61.744%0.44136%0.362SS..  trans-72.1155.9175.775.50000111.7Y21 S29 A30Y21-S27 WeakPolarHBondContact CD1-O 3.01Å; S27-S29 PolarHBondContact O-N 3.04Å; S27-S29 VanDerWaalsContact O-N 3.16Å; S27-S29 PolarHBondContact OG-N 2.82Å; S27-S29 PolarHBondContact OG-OG 3.13Å; S27-A30 WeakPolarHBondContact O-CB 3.25Å; S27-A30 PolarHBondContact O-N 3.11Å; S27-A30 PolarHBondContact OG-N 2.97Å
28K85.2Confident83.8Confident129 Ų12957.7 Ų57.756%0.56134%0.339SS*.THydrogen-bonded Turntrans-59.4-26.1173.2-61.8-160.4177-154.30113.3D19 Y21 A30 R76D19-K28 WeakPolarHBondContact OD2-CE 3.06Å; D19-K28 IonicContact OD2-NZ 2.69Å; D19-K28 PolarHBondContact OD2-NZ 3.19Å; Y21-K28 HydrophobicContact CD1-CG 4.49Å; Y21-K28 HydrophobicContact CD2-CB 4.46Å; Y21-K28 HydrophobicContact CD2-CD 4.27Å; Y21-K28 HydrophobicContact CD2-CG 3.77Å; Y21-K28 HydrophobicContact CE2-CB 4.39Å; Y21-K28 HydrophobicContact CE2-CD 4.41Å; Y21-K28 HydrophobicContact CE2-CG 4.07Å; Y21-K28 HydrophobicContact CG-CG 4Å; K28-A30 VanDerWaalsContact C-N 3.3Å; K28-R76 PolarHBondContact O-NH2 3.34Å
29S83.3Confident85.2Confident107 Ų10754.6 Ų54.675%0.74831%0.313SS*.THydrogen-bonded Turntrans-84.96.2173.949.40000114.3S27S27-S29 PolarHBondContact O-N 3.04Å; S27-S29 VanDerWaalsContact O-N 3.16Å; S27-S29 PolarHBondContact OG-N 2.82Å; S27-S29 PolarHBondContact OG-OG 3.13Å
30A85.7Confident85.1Confident2 Ų259.4 Ų59.42%0.01733%0.33CS..  trans-63.1139.9-175.600000112V26 S27 K28 E34 I35 R76V26-A30 HydrophobicContact CB-CB 3.84Å; V26-A30 HydrophobicContact CG2-CB 4.26Å; S27-A30 WeakPolarHBondContact O-CB 3.25Å; S27-A30 PolarHBondContact O-N 3.11Å; S27-A30 PolarHBondContact OG-N 2.97Å; K28-A30 VanDerWaalsContact C-N 3.3Å; A30-E34 VanDerWaalsContact CA-OE2 3.25Å; A30-E34 WeakPolarHBondContact CA-OE2 3.44Å; A30-E34 HydrophobicContact CB-CB 4.19Å; A30-E34 WeakPolarHBondContact CB-OE2 3.47Å; A30-I35 HydrophobicContact CB-CG1 4.13Å; A30-R76 VanDerWaalsContact O-CZ 3.29Å; A30-R76 PolarHBondContact O-NH1 3.35Å; A30-R76 PolarHBondContact O-NH2 2.85Å
31S85.5Confident85Confident54 Ų5465 Ų6538%0.37836%0.355SS..  trans-72158.1174.369.90000111.2L33 E34 I35S31-L33 PolarHBondContact O-N 3.01Å; S31-L33 VanDerWaalsContact O-N 3.12Å; S31-E34 PolarHBondContact N-OE2 3.02Å; S31-E34 WeakPolarHBondContact O-CB 3.44Å; S31-E34 PolarHBondContact O-N 3.47Å; S31-E34 WeakPolarHBondContact OG-CG 3.46Å; S31-E34 PolarHBondContact OG-N 3.21Å; S31-I35 PolarHBondContact O-N 2.87Å
32N81.3Confident84.8Confident81 Ų8166.6 Ų66.643%0.43336%0.363SS..Hα-helixtrans-57.3-29.3175.1-69.3-3000112.1K36 R76N32-K36 VanDerWaalsContact O-CB 3.3Å; N32-K36 WeakPolarHBondContact O-CB 3.27Å; N32-K36 PolarHBondContact O-N 3.23Å; N32-R76 PolarHBondContact OD1-NH1 3.24Å
33L80.5Confident84.5Confident127 Ų12761.4 Ų61.467%0.66534%0.337SS*.Hα-helixtrans-68-44.9175.7-132.7164.8000111.1S31 K36 T37S31-L33 PolarHBondContact O-N 3.01Å; S31-L33 VanDerWaalsContact O-N 3.12Å; L33-K36 PolarHBondContact O-N 2.98Å; L33-T37 HydrophobicContact CD2-CG2 4.31Å; L33-T37 VanDerWaalsContact O-CG2 3.3Å; L33-T37 WeakPolarHBondContact O-CG2 3.5Å; L33-T37 PolarHBondContact O-N 2.73Å
34E82.8Confident84.1Confident98 Ų9866.8 Ų66.846%0.45836%0.358SS..Hα-helixtrans-62.6-47175.2-74172.2-179.400111.8A30 S31 K36 T37 A38A30-E34 VanDerWaalsContact CA-OE2 3.25Å; A30-E34 WeakPolarHBondContact CA-OE2 3.44Å; A30-E34 HydrophobicContact CB-CB 4.19Å; A30-E34 WeakPolarHBondContact CB-OE2 3.47Å; S31-E34 PolarHBondContact N-OE2 3.02Å; S31-E34 WeakPolarHBondContact O-CB 3.44Å; S31-E34 PolarHBondContact O-N 3.47Å; S31-E34 WeakPolarHBondContact OG-CG 3.46Å; S31-E34 PolarHBondContact OG-N 3.21Å; E34-K36 VanDerWaalsContact C-N 3.31Å; E34-K36 PolarHBondContact O-N 3.41Å; E34-T37 WeakPolarHBondContact CA-OG1 3.37Å; E34-T37 PolarHBondContact O-N 3.07Å; E34-T37 PolarHBondContact O-OG1 2.92Å; E34-A38 WeakPolarHBondContact O-CB 3.46Å; E34-A38 PolarHBondContact O-N 2.94Å
35I87.4Confident83.8Confident1 Ų172.9 Ų72.91%0.00538%0.384CS..Hα-helixtrans-54.6-47.8175.5-69.8163.1000110.5L24 V26 A30 S31 T37 A38 Y39 Y67 L70L24-I35 HydrophobicContact CD1-CG2 3.83Å; V26-I35 HydrophobicContact CG2-CG1 4.25Å; A30-I35 HydrophobicContact CB-CG1 4.13Å; S31-I35 PolarHBondContact O-N 2.87Å; I35-T37 VanDerWaalsContact C-N 3.34Å; I35-T37 PolarHBondContact O-N 3.41Å; I35-A38 PolarHBondContact O-N 3.15Å; I35-Y39 WeakPolarHBondContact O-CB 3.47Å; I35-Y39 PolarHBondContact O-N 3.44Å; I35-Y67 HydrophobicContact CG2-CD2 4.06Å; I35-Y67 HydrophobicContact CG2-CE2 4.37Å; I35-L70 HydrophobicContact CD1-CB 4.2Å; I35-L70 HydrophobicContact CG2-CB 4.07Å
36K80Confident83.5Confident60 Ų6072.3 Ų72.326%0.26136%0.361SS..Hα-helixtrans-62.7-38.3177.4-167.3169-173167.50112.3N32 L33 E34 R40 Y67N32-K36 VanDerWaalsContact O-CB 3.3Å; N32-K36 WeakPolarHBondContact O-CB 3.27Å; N32-K36 PolarHBondContact O-N 3.23Å; L33-K36 PolarHBondContact O-N 2.98Å; E34-K36 VanDerWaalsContact C-N 3.31Å; E34-K36 PolarHBondContact O-N 3.41Å; K36-R40 WeakPolarHBondContact O-CB 3.48Å; K36-R40 VanDerWaalsContact O-CG 3.24Å; K36-R40 WeakPolarHBondContact O-CG 3.3Å; K36-R40 PolarHBondContact O-N 3.29Å; K36-Y67 HydrophobicContact CB-CE2 4.46Å
37T80.5Confident82.8Confident55 Ų5575.1 Ų75.134%0.33737%0.373SS..Hα-helixtrans-70.9-37.8176.863.70000113L33 E34 I35 R40 K41L33-T37 HydrophobicContact CD2-CG2 4.31Å; L33-T37 VanDerWaalsContact O-CG2 3.3Å; L33-T37 WeakPolarHBondContact O-CG2 3.5Å; L33-T37 PolarHBondContact O-N 2.73Å; E34-T37 WeakPolarHBondContact CA-OG1 3.37Å; E34-T37 PolarHBondContact O-N 3.07Å; E34-T37 PolarHBondContact O-OG1 2.92Å; I35-T37 VanDerWaalsContact C-N 3.34Å; I35-T37 PolarHBondContact O-N 3.41Å; T37-R40 PolarHBondContact O-N 2.96Å; T37-K41 WeakPolarHBondContact O-CG 3.42Å; T37-K41 PolarHBondContact O-N 3.37Å; T37-K41 VanDerWaalsContact O-N 3.09Å
38A86.5Confident82.1Confident13 Ų1373.9 Ų73.911%0.10736%0.363CS..Hα-helixtrans-65.9-48176.800000110.8V26 E34 I35 R40 K41 L42V26-A38 HydrophobicContact CG1-CB 3.4Å; V26-A38 VanDerWaalsContact CG1-CB 3.4Å; E34-A38 WeakPolarHBondContact O-CB 3.46Å; E34-A38 PolarHBondContact O-N 2.94Å; I35-A38 PolarHBondContact O-N 3.15Å; A38-R40 PolarHBondContact O-N 3.41Å; A38-K41 PolarHBondContact O-N 3.03Å; A38-K41 VanDerWaalsContact O-N 3.15Å; A38-L42 WeakPolarHBondContact O-CG 3.26Å; A38-L42 PolarHBondContact O-N 3.31Å
39Y87.9Confident81.4Confident37 Ų3774.5 Ų74.515%0.14537%0.373CS..Hα-helixtrans-54.8-49172.2173.6-106.6000111.6I35 K41 L42 A43 I63 N64 Y67I35-Y39 WeakPolarHBondContact O-CB 3.47Å; I35-Y39 PolarHBondContact O-N 3.44Å; Y39-K41 VanDerWaalsContact C-N 3.31Å; Y39-K41 PolarHBondContact O-N 2.73Å; Y39-L42 PolarHBondContact O-N 3.27Å; Y39-L42 VanDerWaalsContact O-N 3.15Å; Y39-A43 HydrophobicContact CD2-CB 4.48Å; Y39-A43 HydrophobicContact CE1-CB 4.34Å; Y39-A43 HydrophobicContact CE2-CB 4.12Å; Y39-A43 WeakPolarHBondContact O-CB 3.5Å; Y39-A43 PolarHBondContact O-N 3.42Å; Y39-I63 HydrophobicContact CD2-CG2 3.59Å; Y39-I63 HydrophobicContact CE2-CG2 3.85Å; Y39-N64 WeakPolarHBondContact CE2-OD1 3.48Å; Y39-N64 PolarHBondContact OH-OD1 3.09Å; Y39-Y67 VanDerWaalsContact CB-CD2 3.47Å; Y39-Y67 HydrophobicContact CD1-CD1 4.09Å; Y39-Y67 AromaticContact CD1-CD2 3.93Å; Y39-Y67 HydrophobicContact CD1-CD2 3.93Å; Y39-Y67 HydrophobicContact CD1-CE1 4.19Å; Y39-Y67 HydrophobicContact CD1-CE2 4.01Å; Y39-Y67 AromaticContact CD1-CG 3.96Å; Y39-Y67 HydrophobicContact CD1-CG 3.96Å; Y39-Y67 VanDerWaalsContact CD2-CB 3.46Å; Y39-Y67 HydrophobicContact CD2-CD1 4.18Å; Y39-Y67 HydrophobicContact CD2-CD2 4.03Å; Y39-Y67 AromaticContact CD2-CG 3.61Å; Y39-Y67 HydrophobicContact CD2-CG 3.61Å; Y39-Y67 HydrophobicContact CE1-CD1 4.08Å; Y39-Y67 HydrophobicContact CE1-CE1 4.19Å; Y39-Y67 HydrophobicContact CE1-CG 4.34Å; Y39-Y67 HydrophobicContact CE2-CD1 4.18Å; Y39-Y67 HydrophobicContact CE2-CG 4.04Å; Y39-Y67 HydrophobicContact CG-CD1 4.13Å; Y39-Y67 AromaticContact CG-CD2 3.53Å; Y39-Y67 HydrophobicContact CG-CD2 3.53Å; Y39-Y67 HydrophobicContact CG-CE2 4.06Å; Y39-Y67 AromaticContact CG-CG 3.57Å; Y39-Y67 HydrophobicContact CG-CG 3.57Å
40R78.9Confident81Confident126 Ų12675.7 Ų75.748%0.47536%0.364SS..Hα-helixtrans-56.4-41.9177.1-77.5172.2177.4-171-2.4113K36 T37 A38 K44K36-R40 WeakPolarHBondContact O-CB 3.48Å; K36-R40 VanDerWaalsContact O-CG 3.24Å; K36-R40 WeakPolarHBondContact O-CG 3.3Å; K36-R40 PolarHBondContact O-N 3.29Å; T37-R40 PolarHBondContact O-N 2.96Å; A38-R40 PolarHBondContact O-N 3.41Å; R40-K44 VanDerWaalsContact O-CB 3.23Å; R40-K44 WeakPolarHBondContact O-CB 3.15Å; R40-K44 PolarHBondContact O-N 3.44Å; R40-K44 VanDerWaalsContact O-N 3.13Å
41K84.3Confident80.5Confident158 Ų15878 Ų7869%0.68738%0.376SS*.Hα-helixtrans-66.8-43.2178-73.2173.7-178174.70111.3T37 A38 Y39 K45T37-K41 WeakPolarHBondContact O-CG 3.42Å; T37-K41 PolarHBondContact O-N 3.37Å; T37-K41 VanDerWaalsContact O-N 3.09Å; A38-K41 PolarHBondContact O-N 3.03Å; A38-K41 VanDerWaalsContact O-N 3.15Å; Y39-K41 VanDerWaalsContact C-N 3.31Å; Y39-K41 PolarHBondContact O-N 2.73Å; K41-K45 VanDerWaalsContact O-CB 3.3Å; K41-K45 WeakPolarHBondContact O-CB 3.4Å; K41-K45 PolarHBondContact O-N 3.15Å; K41-K45 VanDerWaalsContact O-N 3.12Å
42L85.7Confident79.7Confident34 Ų3481.3 Ų81.318%0.17840%0.396CS..Hα-helixtrans-73.6-45.8-178.7-72.6173.6000112.4V23 L24 A38 Y39 K44 K45 W46 I63V23-L42 WeakPolarHBondContact O-CD1 3.48Å; L24-L42 HydrophobicContact CD2-CD1 4.09Å; L24-L42 WeakPolarHBondContact O-CD1 3.47Å; A38-L42 WeakPolarHBondContact O-CG 3.26Å; A38-L42 PolarHBondContact O-N 3.31Å; Y39-L42 PolarHBondContact O-N 3.27Å; Y39-L42 VanDerWaalsContact O-N 3.15Å; L42-K44 VanDerWaalsContact C-N 3.34Å; L42-K44 PolarHBondContact O-N 3.13Å; L42-K45 CarbonylContact O-C 3.56Å; L42-K45 WeakPolarHBondContact O-CA 3.23Å; L42-K45 WeakPolarHBondContact O-CB 3.21Å; L42-K45 PolarHBondContact O-N 2.8Å; L42-W46 WeakPolarHBondContact O-CB 3.48Å; L42-W46 PolarHBondContact O-N 3.03Å; L42-I63 HydrophobicContact CB-CD1 3.83Å; L42-I63 HydrophobicContact CB-CG1 4.29Å; L42-I63 HydrophobicContact CB-CG2 4.03Å; L42-I63 HydrophobicContact CD1-CG1 4.34Å
43A80.3Confident79.5Confident14 Ų1481.3 Ų81.312%0.11640%0.4CS..Hα-helixtrans-58.9-43.9175.100000111.2Y39 K45 W46 H47 F60Y39-A43 HydrophobicContact CD2-CB 4.48Å; Y39-A43 HydrophobicContact CE1-CB 4.34Å; Y39-A43 HydrophobicContact CE2-CB 4.12Å; Y39-A43 WeakPolarHBondContact O-CB 3.5Å; Y39-A43 PolarHBondContact O-N 3.42Å; A43-K45 VanDerWaalsContact C-N 3.28Å; A43-K45 PolarHBondContact O-N 2.85Å; A43-W46 PolarHBondContact O-N 3.09Å; A43-H47 WeakPolarHBondContact O-CA 3.31Å; A43-H47 VanDerWaalsContact O-CB 3.27Å; A43-H47 WeakPolarHBondContact O-CB 3.17Å; A43-H47 PolarHBondContact O-N 3.39Å; A43-F60 HydrophobicContact CB-CE2 3.96Å
44K78.4Confident79.1Confident146 Ų14681.7 Ų81.764%0.63540%0.398SS*.Hα-helixtrans-64.9-31.2174.4-174.4176-179.2178.30112.9R40 L42R40-K44 VanDerWaalsContact O-CB 3.23Å; R40-K44 WeakPolarHBondContact O-CB 3.15Å; R40-K44 PolarHBondContact O-N 3.44Å; R40-K44 VanDerWaalsContact O-N 3.13Å; L42-K44 VanDerWaalsContact C-N 3.34Å; L42-K44 PolarHBondContact O-N 3.13Å
45K79.8Confident78.8Confident135 Ų13585.1 Ų85.159%0.58741%0.411SS*.Hα-helixtrans-78.8-38.1179.8-176.9176.8179.6178.50112.2K41 L42 A43 N51K41-K45 VanDerWaalsContact O-CB 3.3Å; K41-K45 WeakPolarHBondContact O-CB 3.4Å; K41-K45 PolarHBondContact O-N 3.15Å; K41-K45 VanDerWaalsContact O-N 3.12Å; L42-K45 CarbonylContact O-C 3.56Å; L42-K45 WeakPolarHBondContact O-CA 3.23Å; L42-K45 WeakPolarHBondContact O-CB 3.21Å; L42-K45 PolarHBondContact O-N 2.8Å; A43-K45 VanDerWaalsContact C-N 3.28Å; A43-K45 PolarHBondContact O-N 2.85Å; K45-N51 PolarHBondContact O-ND2 3.11Å
46W82.3Confident78.2Confident55 Ų5585.1 Ų85.121%0.20841%0.411CS..Hα-helixtrans-105.65.4-174.3-65.6108.2000113.8L42 A43 A56 K59 F60 I63L42-W46 WeakPolarHBondContact O-CB 3.48Å; L42-W46 PolarHBondContact O-N 3.03Å; A43-W46 PolarHBondContact O-N 3.09Å; W46-A56 HydrophobicContact CE3-CB 3.76Å; W46-A56 HydrophobicContact CZ3-CB 4.18Å; W46-K59 HydrophobicContact CD2-CB 4.23Å; W46-K59 HydrophobicContact CD2-CD 4.13Å; W46-K59 HydrophobicContact CE3-CB 4.36Å; W46-K59 HydrophobicContact CE3-CD 4.12Å; W46-K59 HydrophobicContact CH2-CD 3.56Å; W46-K59 HydrophobicContact CZ2-CD 3.53Å; W46-K59 HydrophobicContact CZ3-CD 3.85Å; W46-F60 HydrophobicContact CB-CB 4.48Å; W46-F60 HydrophobicContact CB-CD2 4.28Å; W46-I63 HydrophobicContact CB-CD1 4.18Å; W46-I63 HydrophobicContact CG-CD1 3.95Å
47H75.9Confident77.8Confident83 Ų8385 Ų8538%0.38441%0.413SS..  trans-51.5134.6177.6-162.1-92.5000110.7A43 D49 K50 N51A43-H47 WeakPolarHBondContact O-CA 3.31Å; A43-H47 VanDerWaalsContact O-CB 3.27Å; A43-H47 WeakPolarHBondContact O-CB 3.17Å; A43-H47 PolarHBondContact O-N 3.39Å; H47-D49 WeakPolarHBondContact ND1-CB 3.27Å; H47-D49 PolarHBondContact ND1-N 3.31Å; H47-D49 PolarHBondContact O-N 3.37Å; H47-D49 VanDerWaalsContact O-N 3.16Å; H47-K50 PolarHBondContact O-N 3.15Å; H47-N51 PolarHBondContact O-N 3Å; H47-N51 VanDerWaalsContact O-N 3.11Å
48P71.3Confident77.6Confident37 Ų3787.9 Ų87.924%0.2442%0.421CS..THydrogen-bonded Turntrans-55.5-35.6-178.125.6-40.6000112.7K50 N51 F103P48-K50 PolarHBondContact O-N 2.75Å; P48-N51 CarbonylContact O-C 3.57Å; P48-N51 VanDerWaalsContact O-C 3.28Å; P48-N51 PolarHBondContact O-N 3.37Å; P48-F103 HydrophobicContact CB-CE1 3.95Å; P48-F103 HydrophobicContact CB-CZ 4Å; P48-F103 HydrophobicContact CG-CE1 3.58Å; P48-F103 HydrophobicContact CG-CZ 4.07Å
49D71.2Confident77.3Confident142 Ų14291.8 Ų91.876%0.75944%0.436SS*.THydrogen-bonded Turntrans-62.9-27.7179.4-159.437.7000113H47H47-D49 WeakPolarHBondContact ND1-CB 3.27Å; H47-D49 PolarHBondContact ND1-N 3.31Å; H47-D49 PolarHBondContact O-N 3.37Å; H47-D49 VanDerWaalsContact O-N 3.16Å
50K74.5Confident76.9Confident131 Ų13191 Ų9157%0.5743%0.433SS*.THydrogen-bonded Turntrans-95.7-23.4176.3-68.6-170.7177.9-173.80113.6H47 P48H47-K50 PolarHBondContact O-N 3.15Å; P48-K50 PolarHBondContact O-N 2.75Å
51N75.6Confident76.8Confident51 Ų5187.7 Ų87.727%0.27343%0.425SS..  trans-138.985-177.3-50.1-84.8000110.4K45 H47 P48 T53 A56K45-N51 PolarHBondContact O-ND2 3.11Å; H47-N51 PolarHBondContact O-N 3Å; H47-N51 VanDerWaalsContact O-N 3.11Å; P48-N51 CarbonylContact O-C 3.57Å; P48-N51 VanDerWaalsContact O-C 3.28Å; P48-N51 PolarHBondContact O-N 3.37Å; N51-T53 PolarHBondContact O-N 2.97Å; N51-A56 HydrophobicContact CB-CB 3.5Å; N51-A56 VanDerWaalsContact CB-CB 3.5Å; N51-A56 WeakPolarHBondContact O-CB 3.4Å
52P69.7Low76.7Confident123 Ų12384.6 Ų84.680%0.79941%0.413SS*.  trans-76.544.9-179.932.6-36.7000112.5
53T76.3Confident76.6Confident82 Ų8283.3 Ų83.350%0.50341%0.406SS..SBendtrans-113.4145.2178.560.90000110.7N51 K55 A56 N57N51-T53 PolarHBondContact O-N 2.97Å; T53-K55 PolarHBondContact O-N 3.47Å; T53-A56 WeakPolarHBondContact O-CB 3.47Å; T53-A56 PolarHBondContact O-N 2.8Å; T53-A56 WeakPolarHBondContact OG1-CB 3.37Å; T53-A56 PolarHBondContact OG1-N 3.16Å; T53-N57 PolarHBondContact O-N 3.14Å; T53-N57 VanDerWaalsContact O-N 3.14Å
54E72.3Confident76.7Confident135 Ų13584.1 Ų84.163%0.63141%0.408SS*.Hα-helixtrans-58-34.4179.6-161-163.9150.600112.4N57 K58E54-N57 PolarHBondContact O-N 2.85Å; E54-K58 PolarHBondContact O-N 3.01Å; E54-K58 WeakPolarHBondContact OE1-CE 3.19Å; E54-K58 IonicContact OE1-NZ 2.75Å; E54-K58 PolarHBondContact OE1-NZ 3.25Å
55K77.1Confident76.8Confident170 Ų17081.5 Ų81.574%0.73940%0.398SS*.Hα-helixtrans-64.6-38.3175.9-68.7-176.8-180177.90112.6T53 K59T53-K55 PolarHBondContact O-N 3.47Å; K55-K59 WeakPolarHBondContact O-CG 3.38Å; K55-K59 PolarHBondContact O-N 3.05Å; K55-K59 VanDerWaalsContact O-N 3.15Å
56A73.4Confident77.1Confident0 Ų075 Ų750%037%0.37CS..Hα-helixtrans-68.9-38.8176.400000111.1W46 N51 T53 K59 F60W46-A56 HydrophobicContact CE3-CB 3.76Å; W46-A56 HydrophobicContact CZ3-CB 4.18Å; N51-A56 HydrophobicContact CB-CB 3.5Å; N51-A56 VanDerWaalsContact CB-CB 3.5Å; N51-A56 WeakPolarHBondContact O-CB 3.4Å; T53-A56 WeakPolarHBondContact O-CB 3.47Å; T53-A56 PolarHBondContact O-N 2.8Å; T53-A56 WeakPolarHBondContact OG1-CB 3.37Å; T53-A56 PolarHBondContact OG1-N 3.16Å; A56-K59 PolarHBondContact O-N 2.73Å; A56-F60 VanDerWaalsContact O-CB 3.31Å; A56-F60 WeakPolarHBondContact O-CB 3.15Å; A56-F60 PolarHBondContact O-N 3.35Å
57N72.3Confident77.3Confident57 Ų5774 Ų7431%0.30537%0.366SS..Hα-helixtrans-62.5-48.1176.2-163.28.2000111.6T53 E54 K59 F60 I61T53-N57 PolarHBondContact O-N 3.14Å; T53-N57 VanDerWaalsContact O-N 3.14Å; E54-N57 PolarHBondContact O-N 2.85Å; N57-K59 VanDerWaalsContact C-N 3.34Å; N57-K59 PolarHBondContact O-N 2.8Å; N57-F60 WeakPolarHBondContact O-CB 3.14Å; N57-F60 PolarHBondContact O-N 2.82Å; N57-F60 VanDerWaalsContact O-N 3.09Å; N57-I61 WeakPolarHBondContact O-CG1 3.47Å; N57-I61 PolarHBondContact O-N 2.84Å
58K75.8Confident77.5Confident116 Ų11674.1 Ų74.150%0.50437%0.367SS..Hα-helixtrans-56.1-47175.5-72.6178.5-176.3168.10112.2E54 F60 I61 E62E54-K58 PolarHBondContact O-N 3.01Å; E54-K58 WeakPolarHBondContact OE1-CE 3.19Å; E54-K58 IonicContact OE1-NZ 2.75Å; E54-K58 PolarHBondContact OE1-NZ 3.25Å; K58-F60 VanDerWaalsContact C-N 3.34Å; K58-F60 PolarHBondContact O-N 3.19Å; K58-I61 PolarHBondContact O-N 3.25Å; K58-E62 WeakPolarHBondContact O-CG 3.47Å; K58-E62 PolarHBondContact O-N 3.24Å
59K80.6Confident78.1Confident96 Ų9672.8 Ų72.842%0.41736%0.358SS..Hα-helixtrans-63.3-38.8175.8-74.7-171.2175.7-165.90112.9W46 K55 A56 N57 I61 E62 I63W46-K59 HydrophobicContact CD2-CB 4.23Å; W46-K59 HydrophobicContact CD2-CD 4.13Å; W46-K59 HydrophobicContact CE3-CB 4.36Å; W46-K59 HydrophobicContact CE3-CD 4.12Å; W46-K59 HydrophobicContact CH2-CD 3.56Å; W46-K59 HydrophobicContact CZ2-CD 3.53Å; W46-K59 HydrophobicContact CZ3-CD 3.85Å; K55-K59 WeakPolarHBondContact O-CG 3.38Å; K55-K59 PolarHBondContact O-N 3.05Å; K55-K59 VanDerWaalsContact O-N 3.15Å; A56-K59 PolarHBondContact O-N 2.73Å; N57-K59 VanDerWaalsContact C-N 3.34Å; N57-K59 PolarHBondContact O-N 2.8Å; K59-I61 VanDerWaalsContact C-N 3.33Å; K59-E62 PolarHBondContact O-N 3.38Å; K59-I63 WeakPolarHBondContact O-CB 3.3Å; K59-I63 VanDerWaalsContact O-CD1 3.26Å; K59-I63 WeakPolarHBondContact O-CD1 3.24Å; K59-I63 WeakPolarHBondContact O-CG1 3.21Å; K59-I63 PolarHBondContact O-N 2.88Å
60F79.7Confident78.8Confident20 Ų2066 Ų669%0.08832%0.322CS..Hα-helixtrans-65.3-39.5178.4-170.8-99.5000111.4A43 W46 A56 N57 K58 I63 N64A43-F60 HydrophobicContact CB-CE2 3.96Å; W46-F60 HydrophobicContact CB-CB 4.48Å; W46-F60 HydrophobicContact CB-CD2 4.28Å; A56-F60 VanDerWaalsContact O-CB 3.31Å; A56-F60 WeakPolarHBondContact O-CB 3.15Å; A56-F60 PolarHBondContact O-N 3.35Å; N57-F60 WeakPolarHBondContact O-CB 3.14Å; N57-F60 PolarHBondContact O-N 2.82Å; N57-F60 VanDerWaalsContact O-N 3.09Å; K58-F60 VanDerWaalsContact C-N 3.34Å; K58-F60 PolarHBondContact O-N 3.19Å; F60-I63 PolarHBondContact O-N 3.12Å; F60-N64 VanDerWaalsContact CE1-ND2 3.28Å; F60-N64 WeakPolarHBondContact CE1-ND2 3.24Å; F60-N64 WeakPolarHBondContact O-CB 3.32Å; F60-N64 VanDerWaalsContact O-CG 3.31Å; F60-N64 PolarHBondContact O-N 3.05Å; F60-N64 PolarHBondContact O-OD1 2.96Å
61I76.1Confident79.1Confident57 Ų5760.9 Ų60.929%0.29230%0.303SS..Hα-helixtrans-60.7-49.2172.8-64.9164.3000110.4N57 K58 K59 I63 N64 E65 H101N57-I61 WeakPolarHBondContact O-CG1 3.47Å; N57-I61 PolarHBondContact O-N 2.84Å; K58-I61 PolarHBondContact O-N 3.25Å; K59-I61 VanDerWaalsContact C-N 3.33Å; I61-I63 VanDerWaalsContact C-N 3.33Å; I61-I63 PolarHBondContact O-N 3.01Å; I61-N64 PolarHBondContact O-N 3.5Å; I61-E65 PolarHBondContact O-N 3.38Å; I61-H101 HydrophobicContact CD1-CB 4.39Å
62E82.5Confident79.2Confident93 Ų9361.4 Ų61.444%0.43531%0.305SS..Hα-helixtrans-59.2-42.3177.1-70.3167.8-17100112.3V23 K58 K59 N64 E65 A66V23-E62 HydrophobicContact CG1-CB 4.12Å; K58-E62 WeakPolarHBondContact O-CG 3.47Å; K58-E62 PolarHBondContact O-N 3.24Å; K59-E62 PolarHBondContact O-N 3.38Å; E62-N64 VanDerWaalsContact C-N 3.34Å; E62-E65 PolarHBondContact O-N 3.02Å; E62-A66 WeakPolarHBondContact O-CB 3.46Å; E62-A66 PolarHBondContact O-N 2.94Å
63I84.8Confident79.8Confident6 Ų659.6 Ų59.63%0.03130%0.295CS..Hα-helixtrans-63.9-40177.4-71.8158.5000111.2V23 L24 Y39 L42 W46 K59 F60 I61 Y67V23-I63 HydrophobicContact CG1-CG1 4.13Å; L24-I63 HydrophobicContact CD2-CG2 4.04Å; Y39-I63 HydrophobicContact CD2-CG2 3.59Å; Y39-I63 HydrophobicContact CE2-CG2 3.85Å; L42-I63 HydrophobicContact CB-CD1 3.83Å; L42-I63 HydrophobicContact CB-CG1 4.29Å; L42-I63 HydrophobicContact CB-CG2 4.03Å; L42-I63 HydrophobicContact CD1-CG1 4.34Å; W46-I63 HydrophobicContact CB-CD1 4.18Å; W46-I63 HydrophobicContact CG-CD1 3.95Å; K59-I63 WeakPolarHBondContact O-CB 3.3Å; K59-I63 VanDerWaalsContact O-CD1 3.26Å; K59-I63 WeakPolarHBondContact O-CD1 3.24Å; K59-I63 WeakPolarHBondContact O-CG1 3.21Å; K59-I63 PolarHBondContact O-N 2.88Å; F60-I63 PolarHBondContact O-N 3.12Å; I61-I63 VanDerWaalsContact C-N 3.33Å; I61-I63 PolarHBondContact O-N 3.01Å; I63-Y67 WeakPolarHBondContact O-CB 3.43Å; I63-Y67 PolarHBondContact O-N 3.39Å
64N80.6Confident79.9Confident31 Ų3162 Ų6217%0.16630%0.299CS..Hα-helixtrans-67-46.4177.7-77.2-0.3000111.3Y39 F60 I61 E62 A66 Y67 E68Y39-N64 WeakPolarHBondContact CE2-OD1 3.48Å; Y39-N64 PolarHBondContact OH-OD1 3.09Å; F60-N64 VanDerWaalsContact CE1-ND2 3.28Å; F60-N64 WeakPolarHBondContact CE1-ND2 3.24Å; F60-N64 WeakPolarHBondContact O-CB 3.32Å; F60-N64 VanDerWaalsContact O-CG 3.31Å; F60-N64 PolarHBondContact O-N 3.05Å; F60-N64 PolarHBondContact O-OD1 2.96Å; I61-N64 PolarHBondContact O-N 3.5Å; E62-N64 VanDerWaalsContact C-N 3.34Å; N64-A66 PolarHBondContact O-N 2.95Å; N64-Y67 PolarHBondContact O-N 2.9Å; N64-E68 PolarHBondContact O-N 3.18Å
65E82.2Confident80.4Confident91 Ų9158.3 Ų58.343%0.42528%0.281SS..Hα-helixtrans-60.4-46.6177.8-170.1-17316200111.2Y20 I61 E62 Y67 E68 V69Y20-E65 HydrophobicContact CE1-CG 3.93Å; Y20-E65 PolarHBondContact OH-OE1 3.46Å; I61-E65 PolarHBondContact O-N 3.38Å; E62-E65 PolarHBondContact O-N 3.02Å; E65-Y67 VanDerWaalsContact C-N 3.3Å; E65-Y67 PolarHBondContact O-N 3.02Å; E65-E68 PolarHBondContact O-N 3.21Å; E65-V69 PolarHBondContact O-N 2.92Å
66A85.3Confident80.9Confident0 Ų051.7 Ų51.70%025%0.251CS..Hα-helixtrans-60.2-40.6175.900000112.2Y20 V23 L24 E62 N64 L70Y20-A66 HydrophobicContact CD1-CB 3.66Å; Y20-A66 HydrophobicContact CG-CB 4.05Å; V23-A66 HydrophobicContact CB-CB 4Å; V23-A66 HydrophobicContact CG1-CB 3.91Å; L24-A66 HydrophobicContact CD1-CB 4.44Å; L24-A66 HydrophobicContact CD2-CB 4.41Å; L24-A66 HydrophobicContact CG-CB 3.98Å; E62-A66 WeakPolarHBondContact O-CB 3.46Å; E62-A66 PolarHBondContact O-N 2.94Å; N64-A66 PolarHBondContact O-N 2.95Å; A66-L70 VanDerWaalsContact O-CB 3.24Å; A66-L70 WeakPolarHBondContact O-CB 3.34Å; A66-L70 WeakPolarHBondContact O-CG 3.28Å; A66-L70 PolarHBondContact O-N 3.17Å
67Y85.8Confident81.3Confident32 Ų3257.9 Ų57.913%0.12528%0.28CS..Hα-helixtrans-68.5-42.7177.4177.9-103.8000112.3I35 K36 Y39 I63 N64 E65 V69 L70 S71I35-Y67 HydrophobicContact CG2-CD2 4.06Å; I35-Y67 HydrophobicContact CG2-CE2 4.37Å; K36-Y67 HydrophobicContact CB-CE2 4.46Å; Y39-Y67 VanDerWaalsContact CB-CD2 3.47Å; Y39-Y67 HydrophobicContact CD1-CD1 4.09Å; Y39-Y67 AromaticContact CD1-CD2 3.93Å; Y39-Y67 HydrophobicContact CD1-CD2 3.93Å; Y39-Y67 HydrophobicContact CD1-CE1 4.19Å; Y39-Y67 HydrophobicContact CD1-CE2 4.01Å; Y39-Y67 AromaticContact CD1-CG 3.96Å; Y39-Y67 HydrophobicContact CD1-CG 3.96Å; Y39-Y67 VanDerWaalsContact CD2-CB 3.46Å; Y39-Y67 HydrophobicContact CD2-CD1 4.18Å; Y39-Y67 HydrophobicContact CD2-CD2 4.03Å; Y39-Y67 AromaticContact CD2-CG 3.61Å; Y39-Y67 HydrophobicContact CD2-CG 3.61Å; Y39-Y67 HydrophobicContact CE1-CD1 4.08Å; Y39-Y67 HydrophobicContact CE1-CE1 4.19Å; Y39-Y67 HydrophobicContact CE1-CG 4.34Å; Y39-Y67 HydrophobicContact CE2-CD1 4.18Å; Y39-Y67 HydrophobicContact CE2-CG 4.04Å; Y39-Y67 HydrophobicContact CG-CD1 4.13Å; Y39-Y67 AromaticContact CG-CD2 3.53Å; Y39-Y67 HydrophobicContact CG-CD2 3.53Å; Y39-Y67 HydrophobicContact CG-CE2 4.06Å; Y39-Y67 AromaticContact CG-CG 3.57Å; Y39-Y67 HydrophobicContact CG-CG 3.57Å; I63-Y67 WeakPolarHBondContact O-CB 3.43Å; I63-Y67 PolarHBondContact O-N 3.39Å; N64-Y67 PolarHBondContact O-N 2.9Å; E65-Y67 VanDerWaalsContact C-N 3.3Å; E65-Y67 PolarHBondContact O-N 3.02Å; Y67-V69 VanDerWaalsContact C-N 3.28Å; Y67-V69 PolarHBondContact O-N 3.39Å; Y67-L70 PolarHBondContact O-N 2.98Å; Y67-S71 WeakPolarHBondContact O-CA 3.47Å; Y67-S71 WeakPolarHBondContact O-CB 3.36Å; Y67-S71 PolarHBondContact O-N 3.22Å; Y67-S71 PolarHBondContact O-OG 3.36Å
68E81.6Confident81.6Confident86 Ų8657.5 Ų57.540%0.40228%0.276SS..Hα-helixtrans-60.6-37.6-179.9-165-164.4142.300112.5N64 E65 S71 K75N64-E68 PolarHBondContact O-N 3.18Å; E65-E68 PolarHBondContact O-N 3.21Å; E68-S71 PolarHBondContact O-OG 3.47Å; E68-K75 IonicContact OE1-NZ 2.76Å; E68-K75 PolarHBondContact OE1-NZ 3.32Å
69V83.3Confident82Confident10 Ų1053.3 Ų53.36%0.06126%0.257CS..Hα-helixtrans-75.2-45.2176.8172.30000111.4Y20 E65 Y67 K75 R76 Y79 V85Y20-V69 HydrophobicContact CD2-CB 3.98Å; Y20-V69 HydrophobicContact CD2-CG1 3.8Å; Y20-V69 HydrophobicContact CD2-CG2 4.28Å; Y20-V69 HydrophobicContact CE2-CB 3.99Å; Y20-V69 HydrophobicContact CE2-CG1 3.93Å; Y20-V69 HydrophobicContact CE2-CG2 3.77Å; E65-V69 PolarHBondContact O-N 2.92Å; Y67-V69 VanDerWaalsContact C-N 3.28Å; Y67-V69 PolarHBondContact O-N 3.39Å; V69-K75 HydrophobicContact CG1-CB 4.46Å; V69-K75 CarbonylContact O-C 3.52Å; V69-K75 WeakPolarHBondContact O-CB 3.49Å; V69-R76 WeakPolarHBondContact O-CA 3.33Å; V69-R76 PolarHBondContact O-N 2.99Å; V69-Y79 HydrophobicContact CG1-CD2 4.27Å; V69-Y79 HydrophobicContact CG1-CG 3.91Å; V69-V85 HydrophobicContact CB-CG2 4.38Å; V69-V85 HydrophobicContact CG1-CG2 3.54Å; V69-V85 HydrophobicContact CG2-CG2 3.94Å
70L86.3Confident82.2Confident0 Ų052.5 Ų52.50%026%0.258CS..Hα-helixtrans-82.8-21-173.3-64.9178.6000114.1Y21 L24 I35 A66 Y67 R76 Y79Y21-L70 HydrophobicContact CD1-CD1 3.94Å; Y21-L70 HydrophobicContact CD1-CD2 4.19Å; Y21-L70 HydrophobicContact CD2-CD2 4.35Å; Y21-L70 HydrophobicContact CE1-CD1 4.15Å; Y21-L70 HydrophobicContact CE1-CD2 3.64Å; Y21-L70 HydrophobicContact CE2-CD2 3.83Å; Y21-L70 HydrophobicContact CG-CD1 4.24Å; Y21-L70 VanDerWaalsContact CZ-CD2 3.44Å; L24-L70 HydrophobicContact CD1-CD1 3.81Å; I35-L70 HydrophobicContact CD1-CB 4.2Å; I35-L70 HydrophobicContact CG2-CB 4.07Å; A66-L70 VanDerWaalsContact O-CB 3.24Å; A66-L70 WeakPolarHBondContact O-CB 3.34Å; A66-L70 WeakPolarHBondContact O-CG 3.28Å; A66-L70 PolarHBondContact O-N 3.17Å; Y67-L70 PolarHBondContact O-N 2.98Å; L70-R76 HydrophobicContact CD2-CG 3.95Å; L70-Y79 HydrophobicContact CD2-CD1 4.47Å
71S80.2Confident82.1Confident23 Ų2355.3 Ų55.316%0.16128%0.277CS..Hα-helixtrans-71-40.3177.265.60000111.6Y67 E68Y67-S71 WeakPolarHBondContact O-CA 3.47Å; Y67-S71 WeakPolarHBondContact O-CB 3.36Å; Y67-S71 PolarHBondContact O-N 3.22Å; Y67-S71 PolarHBondContact O-OG 3.36Å; E68-S71 PolarHBondContact O-OG 3.47Å
72N77.7Confident82.2Confident62 Ų6259.4 Ų59.433%0.33229%0.293SS..SBendtrans-86117.6-179.4-174.3-39.3000110.4K74 K75 R76N72-K74 PolarHBondContact O-N 2.71Å; N72-K74 VanDerWaalsContact O-N 3.11Å; N72-K74 WeakPolarHBondContact OD1-CB 3.32Å; N72-K74 PolarHBondContact OD1-N 2.99Å; N72-K75 HydrophobicContact CB-CB 4.15Å; N72-K75 HydrophobicContact CB-CD 4.29Å; N72-K75 HydrophobicContact CB-CG 4.23Å; N72-K75 PolarHBondContact O-N 2.84Å; N72-R76 WeakPolarHBondContact O-CB 3.4Å; N72-R76 PolarHBondContact O-N 3.42Å
73S81.4Confident81.7Confident84 Ų8457.2 Ų57.259%0.58730%0.295SS*.Hα-helixtrans-56.5-31.8-177.5-169.50000113.7H77S73-H77 WeakPolarHBondContact O-CB 3.32Å; S73-H77 PolarHBondContact O-N 3.2Å
74K79.9Confident81Confident132 Ų13264.7 Ų64.757%0.57433%0.327SS*.Hα-helixtrans-74.6-50.3179.4-170-172.6173.9-161.70110.9N72 R76 H77 E78N72-K74 PolarHBondContact O-N 2.71Å; N72-K74 VanDerWaalsContact O-N 3.11Å; N72-K74 WeakPolarHBondContact OD1-CB 3.32Å; N72-K74 PolarHBondContact OD1-N 2.99Å; K74-R76 VanDerWaalsContact C-N 3.32Å; K74-R76 PolarHBondContact O-N 3.19Å; K74-H77 PolarHBondContact O-N 2.88Å; K74-E78 WeakPolarHBondContact CE-OE1 3.48Å; K74-E78 PolarHBondContact O-N 3.11Å
75K83.1Confident80.1Confident58 Ų5865.1 Ų65.125%0.25233%0.331SS..Hα-helixtrans-61.5-40.3176.9-69.7-175.1174176.50111.6E68 V69 N72 H77 E78 Y79 V85E68-K75 IonicContact OE1-NZ 2.76Å; E68-K75 PolarHBondContact OE1-NZ 3.32Å; V69-K75 HydrophobicContact CG1-CB 4.46Å; V69-K75 CarbonylContact O-C 3.52Å; V69-K75 WeakPolarHBondContact O-CB 3.49Å; N72-K75 HydrophobicContact CB-CB 4.15Å; N72-K75 HydrophobicContact CB-CD 4.29Å; N72-K75 HydrophobicContact CB-CG 4.23Å; N72-K75 PolarHBondContact O-N 2.84Å; K75-H77 PolarHBondContact O-N 3.43Å; K75-E78 PolarHBondContact O-N 2.77Å; K75-Y79 WeakPolarHBondContact O-CB 3.02Å; K75-Y79 PolarHBondContact O-N 3.3Å; K75-V85 HydrophobicContact CB-CG1 4.38Å; K75-V85 HydrophobicContact CG-CG1 4.18Å
76R86.7Confident78.7Confident31 Ų3167.5 Ų67.512%0.11734%0.342CS..Hα-helixtrans-59.7-45.7174.6-177.9175.5177.1-178.11.7111.6Y21 K28 A30 N32 V69 L70 N72 K74 Y79 D80Y21-R76 WeakPolarHBondContact OH-CG 3.45Å; Y21-R76 PolarHBondContact OH-NE 2.86Å; K28-R76 PolarHBondContact O-NH2 3.34Å; A30-R76 VanDerWaalsContact O-CZ 3.29Å; A30-R76 PolarHBondContact O-NH1 3.35Å; A30-R76 PolarHBondContact O-NH2 2.85Å; N32-R76 PolarHBondContact OD1-NH1 3.24Å; V69-R76 WeakPolarHBondContact O-CA 3.33Å; V69-R76 PolarHBondContact O-N 2.99Å; L70-R76 HydrophobicContact CD2-CG 3.95Å; N72-R76 WeakPolarHBondContact O-CB 3.4Å; N72-R76 PolarHBondContact O-N 3.42Å; K74-R76 VanDerWaalsContact C-N 3.32Å; K74-R76 PolarHBondContact O-N 3.19Å; R76-Y79 PolarHBondContact O-N 3.49Å; R76-D80 WeakPolarHBondContact O-CB 3.49Å; R76-D80 PolarHBondContact O-N 3.17Å
77H82.4Confident77.1Confident131 Ų13172.3 Ų72.361%0.60638%0.375SS*.Hα-helixtrans-63.9-41.5177.4-17661.1000112.4S73 K74 K75 D80 T81S73-H77 WeakPolarHBondContact O-CB 3.32Å; S73-H77 PolarHBondContact O-N 3.2Å; K74-H77 PolarHBondContact O-N 2.88Å; K75-H77 PolarHBondContact O-N 3.43Å; H77-D80 PolarHBondContact O-N 3.04Å; H77-T81 WeakPolarHBondContact O-CB 3.5Å; H77-T81 PolarHBondContact O-N 3.23Å; H77-T81 PolarHBondContact O-OG1 3.38Å
78E78.2Confident75.1Confident49 Ų4977.3 Ų77.323%0.22940%0.404CS..Hα-helixtrans-63.1-44.5174.5-73.4174.9-162.200111.9K74 K75 T81 F82K74-E78 WeakPolarHBondContact CE-OE1 3.48Å; K74-E78 PolarHBondContact O-N 3.11Å; K75-E78 PolarHBondContact O-N 2.77Å; E78-T81 PolarHBondContact O-N 3.3Å; E78-F82 HydrophobicContact CB-CD2 4.45Å; E78-F82 WeakPolarHBondContact O-CD2 2.96Å; E78-F82 PolarHBondContact O-N 2.65Å
79Y83.8Confident72.9Confident27 Ų2776.8 Ų76.811%0.10642%0.422CS..Hα-helixtrans-60.7-45175-177.6-105000112.2D19 Y20 Y21 V69 L70 K75 R76 T81 G83 V85D19-Y79 WeakPolarHBondContact CA-OH 3.44Å; D19-Y79 WeakPolarHBondContact OD1-CE1 3.4Å; D19-Y79 PolarHBondContact OD1-OH 2.98Å; D19-Y79 VanDerWaalsContact OD1-OH 3.13Å; Y20-Y79 HydrophobicContact CD2-CD1 4Å; Y20-Y79 AromaticContact CD2-CD2 3.52Å; Y20-Y79 HydrophobicContact CD2-CD2 3.52Å; Y20-Y79 AromaticContact CD2-CE1 3.67Å; Y20-Y79 HydrophobicContact CD2-CE1 3.67Å; Y20-Y79 AromaticContact CD2-CE2 3.16Å; Y20-Y79 HydrophobicContact CD2-CE2 3.16Å; Y20-Y79 AromaticContact CD2-CG 3.92Å; Y20-Y79 HydrophobicContact CD2-CG 3.92Å; Y20-Y79 AromaticContact CD2-CZ 3.22Å; Y20-Y79 AromaticContact CE2-CD2 3.5Å; Y20-Y79 HydrophobicContact CE2-CD2 3.5Å; Y20-Y79 AromaticContact CE2-CE2 3.23Å; Y20-Y79 HydrophobicContact CE2-CE2 3.23Å; Y20-Y79 HydrophobicContact CE2-CG 4.27Å; Y20-Y79 AromaticContact CE2-CZ 3.82Å; Y20-Y79 HydrophobicContact CG-CE1 4.26Å; Y20-Y79 HydrophobicContact CG-CE2 4.16Å; Y20-Y79 AromaticContact CG-CZ 3.85Å; Y20-Y79 PolarHBondContact N-OH 2.91Å; Y21-Y79 HydrophobicContact CD2-CE1 4.38Å; Y21-Y79 HydrophobicContact CE2-CD1 4.31Å; Y21-Y79 HydrophobicContact CE2-CE1 4.25Å; V69-Y79 HydrophobicContact CG1-CD2 4.27Å; V69-Y79 HydrophobicContact CG1-CG 3.91Å; L70-Y79 HydrophobicContact CD2-CD1 4.47Å; K75-Y79 WeakPolarHBondContact O-CB 3.02Å; K75-Y79 PolarHBondContact O-N 3.3Å; R76-Y79 PolarHBondContact O-N 3.49Å; Y79-T81 PolarHBondContact O-N 3.43Å; Y79-G83 WeakPolarHBondContact CE2-O 3.31Å; Y79-G83 WeakPolarHBondContact O-CA 3.38Å; Y79-G83 PolarHBondContact O-N 2.98Å; Y79-V85 HydrophobicContact CD2-CG2 4.33Å
80D84.4Confident70.6Confident80 Ų8080.6 Ų80.643%0.42845%0.449SS..Hα-helixtrans-64.6-31.1178.1-70.5-20.2000112Y21 R76 H77Y21-D80 WeakPolarHBondContact CE2-OD1 3.09Å; Y21-D80 VanDerWaalsContact OH-CG 3.28Å; Y21-D80 PolarHBondContact OH-OD1 3.35Å; Y21-D80 PolarHBondContact OH-OD2 3.19Å; Y21-D80 VanDerWaalsContact OH-OD2 3.05Å; R76-D80 WeakPolarHBondContact O-CB 3.49Å; R76-D80 PolarHBondContact O-N 3.17Å; H77-D80 PolarHBondContact O-N 3.04Å
81T79.1Confident68Low78 Ų7889.2 Ų89.248%0.47949%0.489SS..Hα-helixtrans-85.4-43.5-177.3-54.60000112.6H77 E78 Y79H77-T81 WeakPolarHBondContact O-CB 3.5Å; H77-T81 PolarHBondContact O-N 3.23Å; H77-T81 PolarHBondContact O-OG1 3.38Å; E78-T81 PolarHBondContact O-N 3.3Å; Y79-T81 PolarHBondContact O-N 3.43Å
82F77.2Confident65.8Low144 Ų14493 Ų9363%0.63251%0.513SS*.Hα-helixtrans-110-10.3-171.6-58.8-68.9000114E78 K84E78-F82 HydrophobicContact CB-CD2 4.45Å; E78-F82 WeakPolarHBondContact O-CD2 2.96Å; E78-F82 PolarHBondContact O-N 2.65Å; F82-K84 PolarHBondContact O-N 2.88Å
83G71.2Confident63.5Low46 Ų4694.5 Ų94.547%0.47453%0.526SS..SBendtrans70.7-0-173.800000114.5Y79Y79-G83 WeakPolarHBondContact CE2-O 3.31Å; Y79-G83 WeakPolarHBondContact O-CA 3.38Å; Y79-G83 PolarHBondContact O-N 2.98Å
84K70.1Confident61Low163 Ų16397.2 Ų97.271%0.70954%0.542SS*.SBendtrans-148.4143.4177.6-67.6-173.8-179.9-178.20109.5F82F82-K84 PolarHBondContact O-N 2.88Å
85V61.8Low58.5Low40 Ų4093.9 Ų93.924%0.24255%0.545CS..PPolyproline II helixtrans-94.3131.1172-176.60000108.3V69 K75 Y79 S87V69-V85 HydrophobicContact CB-CG2 4.38Å; V69-V85 HydrophobicContact CG1-CG2 3.54Å; V69-V85 HydrophobicContact CG2-CG2 3.94Å; K75-V85 HydrophobicContact CB-CG1 4.38Å; K75-V85 HydrophobicContact CG-CG1 4.18Å; Y79-V85 HydrophobicContact CD2-CG2 4.33Å; V85-S87 PolarHBondContact O-N 3.3Å
86H53.4Low55.7Low142 Ų14298.4 Ų98.466%0.65757%0.567SS**PPolyproline II helixtrans-76.8121.8170.1-73.479.2000107.6D88H86-D88 PolarHBondContact O-N 3.43Å
87S51Low53Low101 Ų101106.2 Ų106.271%0.70660%0.598SS**PPolyproline II helixtrans-62.3119.9167.4-179.90000107.5V85 G89V85-S87 PolarHBondContact O-N 3.3Å; S87-G89 VanDerWaalsContact C-N 3.3Å; S87-G89 PolarHBondContact O-N 2.64Å
88D45Very low50.4Low137 Ų137106 Ų10673%0.73361%0.608SS**  trans-58.893.1174-85.1-32.5000108.9H86 S90H86-D88 PolarHBondContact O-N 3.43Å; D88-S90 PolarHBondContact O-N 3.19Å
89G35.1Very low48.2Very low75 Ų75112.9 Ų112.977%0.77363%0.633SS**SBendtrans58.1-7.8145.900000120.6S87 Q91S87-G89 VanDerWaalsContact C-N 3.3Å; S87-G89 PolarHBondContact O-N 2.64Å; G89-Q91 PolarHBondContact O-N 3.18Å
90S34.7Very low45.7Very low90 Ų90122.4 Ų122.463%0.62967%0.669SS**  trans-80.473.917761.60000108.7D88 P92D88-S90 PolarHBondContact O-N 3.19Å; S90-P92 WeakPolarHBondContact O-CD 3.19Å
91Q31.8Very low43.3Very low180 Ų180124.8 Ų124.884%0.84168%0.677SS**PPolyproline II helixtrans-58.1116.4159.8-83.9-177.1-36.400107.2G89G89-Q91 PolarHBondContact O-N 3.18Å
92P33.6Very low40.9Very low104 Ų104128.4 Ų128.468%0.67569%0.689SS**PPolyproline II helixtrans-62136.4170.5-15.629.8000108.2S90S90-P92 WeakPolarHBondContact O-CD 3.19Å
93P29.2Very low38.9Very low93 Ų93126.5 Ų126.560%0.60468%0.681SS**PPolyproline II helixtrans-56.9148177.320.5-29.7000111.1G95P93-G95 PolarHBondContact O-N 3.31Å; P93-G95 VanDerWaalsContact O-N 3.13Å
94P29.1Very low37Very low140 Ų140128.4 Ų128.491%0.90968%0.683SS**THydrogen-bonded Turntrans-65115.3-174.926.7-32.2000109.7
95G28.3Very low35.4Very low63 Ų63127.6 Ų127.665%0.64968%0.681SS**THydrogen-bonded Turntrans148.3-15.8178.500000115.3P93P93-G95 PolarHBondContact O-N 3.31Å; P93-G95 VanDerWaalsContact O-N 3.13Å
96H24.3Very low34.2Very low153 Ų153127.7 Ų127.771%0.70868%0.682SS**  trans-95.3106.2175.4-73.5-69.5000111.5
97Y28.5Very low33.6Very low194 Ų194124.1 Ų124.176%0.76167%0.673SS**  trans-51.8148162.1-66.1-86.8000109.9Y99Y97-Y99 PolarHBondContact O-N 3.08Å
98P27.7Very low33Very low127 Ų127126.5 Ų126.583%0.82567%0.671SS**  trans-68.282.5175.529.9-32.8000108.1R100P98-R100 PolarHBondContact O-N 2.73Å
99Y32.5Very low32.7Very low193 Ų193127.3 Ų127.376%0.75767%0.671SS**  trans-56.8124.4163.3-91.3-88.1000105.9Y97 H101Y97-Y99 PolarHBondContact O-N 3.08Å; Y99-H101 PolarHBondContact O-N 2.74Å
100R31Very low33.1Very low227 Ų227126.4 Ų126.486%0.85765%0.646SS**  trans-28.6124.5167.9-73.4176.6-178.9156.30.4108.4P98 E102P98-R100 PolarHBondContact O-N 2.73Å; R100-E102 PolarHBondContact O-N 3.1Å
101H33.9Very low33.3Very low130 Ų130125.6 Ų125.660%0.60264%0.635SS**  trans-52.787.5171.5-89.4-88.5000109.3I61 Y99 F103I61-H101 HydrophobicContact CD1-CB 4.39Å; Y99-H101 PolarHBondContact O-N 2.74Å; H101-F103 PolarHBondContact O-N 3.29Å
102E30Very low33.7Very low155 Ų155118.9 Ų118.972%0.72460%0.603SS**  trans-89.695177.8-161150.3-151.600104.3R100 V104R100-E102 PolarHBondContact O-N 3.1Å; E102-V104 PolarHBondContact O-N 2.77Å
103F35.1Very low34.3Very low104 Ų104118.8 Ų118.846%0.45660%0.597SS.*  trans49.766.3166.1-56.9-72.6000114.8P48 H101 H105P48-F103 HydrophobicContact CB-CE1 3.95Å; P48-F103 HydrophobicContact CB-CZ 4Å; P48-F103 HydrophobicContact CG-CE1 3.58Å; P48-F103 HydrophobicContact CG-CZ 4.07Å; H101-F103 PolarHBondContact O-N 3.29Å; F103-H105 PolarHBondContact O-N 3.04Å
104V31.4Very low35Very low86 Ų86119.4 Ų119.452%0.52159%0.59SS.*  trans-66.793.7157.4-176.40000106.3E102E102-V104 PolarHBondContact O-N 2.77Å
105H36Very low35.7Very low146 Ų146118.2 Ų118.268%0.67657%0.571SS**  trans-53.8131151.8-96.4-91.8000106F103 S107F103-H105 PolarHBondContact O-N 3.04Å; H105-S107 PolarHBondContact O-N 2.82Å
106P37.8Very low36.3Very low41 Ų41121.8 Ų121.827%0.26658%0.583SS.*  trans-48.4146.2176.518.9-30.2000109.3F108P106-F108 PolarHBondContact O-N 3.1Å; P106-F108 VanDerWaalsContact O-N 3.12Å
107S40.7Very low37.4Very low67 Ų67115.6 Ų115.647%0.46956%0.56SS.*  trans-35.8123177.346.80000109.1H105 E109 E110H105-S107 PolarHBondContact O-N 2.82Å; S107-E109 PolarHBondContact O-N 2.91Å; S107-E110 PolarHBondContact O-N 3.46Å
108F36.4Very low38.2Very low151 Ų151109.9 Ų109.966%0.66254%0.539SS*.G310 helixtrans-49.9-23.6-168-172.3-111.7000113P106 L111 F112P106-F108 PolarHBondContact O-N 3.1Å; P106-F108 VanDerWaalsContact O-N 3.12Å; F108-L111 PolarHBondContact O-N 3.22Å; F108-F112 AromaticContact CD1-CE2 3.51Å; F108-F112 HydrophobicContact CD1-CE2 3.51Å; F108-F112 HydrophobicContact CD1-CZ 4.01Å; F108-F112 AromaticContact CE1-CE2 3.45Å; F108-F112 HydrophobicContact CE1-CE2 3.45Å; F108-F112 VanDerWaalsContact CE1-CE2 3.45Å; F108-F112 AromaticContact CE1-CZ 3.43Å; F108-F112 HydrophobicContact CE1-CZ 3.43Å; F108-F112 VanDerWaalsContact CE1-CZ 3.43Å; F108-F112 HydrophobicContact CG-CE2 4.21Å; F108-F112 HydrophobicContact CZ-CE2 4.12Å; F108-F112 AromaticContact CZ-CZ 3.78Å; F108-F112 HydrophobicContact CZ-CZ 3.78Å; F108-F112 WeakPolarHBondContact O-CD2 3.37Å; F108-F112 WeakPolarHBondContact O-CE2 3.48Å
109E39.1Very low38.9Very low155 Ų155109.9 Ų109.972%0.72453%0.532SS*.G310 helixtrans-54.7-43.6169.6-81172.4138.300115.4S107 L111 F112S107-E109 PolarHBondContact O-N 2.91Å; E109-L111 VanDerWaalsContact C-N 3.28Å; E109-L111 PolarHBondContact O-N 2.76Å; E109-F112 WeakPolarHBondContact O-CB 3.38Å; E109-F112 PolarHBondContact O-N 3.05Å; E109-F112 VanDerWaalsContact O-N 3.09Å
110E43.5Very low40Very low55 Ų55104.5 Ų104.526%0.25752%0.523SS..G310 helixtrans-75.8-17.5-175.7-73.4-166.2-179.800113.4S107 F112 D113S107-E110 PolarHBondContact O-N 3.46Å; E110-F112 PolarHBondContact O-N 2.84Å; E110-D113 PolarHBondContact O-N 3.1Å
111L40.5Very low41.2Very low73 Ų7395.3 Ų95.338%0.38250%0.496SS..G310 helixtrans-68.4-20.7170.7-128.9159000111.1F108 E109 F114F108-L111 PolarHBondContact O-N 3.22Å; E109-L111 VanDerWaalsContact C-N 3.28Å; E109-L111 PolarHBondContact O-N 2.76Å; L111-F114 WeakPolarHBondContact O-CB 3.49Å; L111-F114 PolarHBondContact O-N 3.3Å
112F40.2Very low42.4Very low40 Ų4091.9 Ų91.918%0.17549%0.485CS..G310 helixtrans-80-29.5176.2-67.2-69.8000113.4F108 E109 E110 F114 F115 F118 F157F108-F112 AromaticContact CD1-CE2 3.51Å; F108-F112 HydrophobicContact CD1-CE2 3.51Å; F108-F112 HydrophobicContact CD1-CZ 4.01Å; F108-F112 AromaticContact CE1-CE2 3.45Å; F108-F112 HydrophobicContact CE1-CE2 3.45Å; F108-F112 VanDerWaalsContact CE1-CE2 3.45Å; F108-F112 AromaticContact CE1-CZ 3.43Å; F108-F112 HydrophobicContact CE1-CZ 3.43Å; F108-F112 VanDerWaalsContact CE1-CZ 3.43Å; F108-F112 HydrophobicContact CG-CE2 4.21Å; F108-F112 HydrophobicContact CZ-CE2 4.12Å; F108-F112 AromaticContact CZ-CZ 3.78Å; F108-F112 HydrophobicContact CZ-CZ 3.78Å; F108-F112 WeakPolarHBondContact O-CD2 3.37Å; F108-F112 WeakPolarHBondContact O-CE2 3.48Å; E109-F112 WeakPolarHBondContact O-CB 3.38Å; E109-F112 PolarHBondContact O-N 3.05Å; E109-F112 VanDerWaalsContact O-N 3.09Å; E110-F112 PolarHBondContact O-N 2.84Å; F112-F114 PolarHBondContact O-N 3.43Å; F112-F114 VanDerWaalsContact O-N 3.1Å; F112-F115 PolarHBondContact O-N 2.94Å; F112-F118 AromaticContact CD1-CD1 3.75Å; F112-F118 HydrophobicContact CD1-CD1 3.75Å; F112-F118 AromaticContact CD1-CE1 3.79Å; F112-F118 HydrophobicContact CD1-CE1 3.79Å; F112-F118 HydrophobicContact CD1-CG 4.14Å; F112-F118 HydrophobicContact CD1-CZ 4.21Å; F112-F118 HydrophobicContact CE1-CD1 4.38Å; F112-F118 AromaticContact CE1-CE1 3.96Å; F112-F118 HydrophobicContact CE1-CE1 3.96Å; F112-F118 HydrophobicContact CE1-CZ 4.17Å; F112-F157 AromaticContact CD1-CE1 3.93Å; F112-F157 HydrophobicContact CD1-CE1 3.93Å; F112-F157 AromaticContact CE1-CD1 3.66Å; F112-F157 HydrophobicContact CE1-CD1 3.66Å; F112-F157 AromaticContact CE1-CE1 3.18Å; F112-F157 HydrophobicContact CE1-CE1 3.18Å; F112-F157 HydrophobicContact CE1-CZ 4.17Å; F112-F157 HydrophobicContact CE2-CE1 4.1Å; F112-F157 HydrophobicContact CE2-CZ 4.34Å; F112-F157 AromaticContact CZ-CD1 3.98Å; F112-F157 HydrophobicContact CZ-CD1 3.98Å; F112-F157 AromaticContact CZ-CE1 3.27Å; F112-F157 HydrophobicContact CZ-CE1 3.27Å; F112-F157 AromaticContact CZ-CZ 3.82Å; F112-F157 HydrophobicContact CZ-CZ 3.82Å
113D44.5Very low44.4Very low102 Ų10293.3 Ų93.355%0.54549%0.492SS..G310 helixtrans-68.9-2.8167.8-79.7-9.8000112.9E110 N119E110-D113 PolarHBondContact O-N 3.1Å; D113-N119 PolarHBondContact OD1-ND2 3.32Å
114F44.7Very low46.8Very low105 Ų10590.5 Ų90.546%0.46148%0.479SS..G310 helixtrans-73.9-26.3173.5-166.2-96.8000113.2L111 F112 P116L111-F114 WeakPolarHBondContact O-CB 3.49Å; L111-F114 PolarHBondContact O-N 3.3Å; F112-F114 PolarHBondContact O-N 3.43Å; F112-F114 VanDerWaalsContact O-N 3.1Å; F114-P116 WeakPolarHBondContact O-CD 3.45Å
115F43Very low49.5Very low115 Ų11587.6 Ų87.650%0.50446%0.463SS..SBendtrans-111101.6-177.7-69.3-77.8000111.1F112 G117 F118F112-F115 PolarHBondContact O-N 2.94Å; F115-G117 PolarHBondContact O-N 3.09Å; F115-F118 HydrophobicContact CB-CD2 4.08Å; F115-F118 PolarHBondContact O-N 3.4Å
116P41.9Very low51.8Low139 Ų13987.5 Ų87.590%0.90347%0.472SS*.THydrogen-bonded Turntrans-64.899.8175.627.8-31.5000108.1F114F114-P116 WeakPolarHBondContact O-CD 3.45Å
117G46.2Very low54.3Low23 Ų2388.7 Ų88.724%0.23748%0.477CS..THydrogen-bonded Turntrans149.1-43.4-165.500000110.7F115 N119 S120 R162F115-G117 PolarHBondContact O-N 3.09Å; G117-N119 PolarHBondContact O-N 3.33Å; G117-S120 PolarHBondContact O-N 3.44Å; G117-S120 PolarHBondContact O-OG 3.49Å; G117-R162 VanDerWaalsContact C-NH1 3.3Å; G117-R162 PolarHBondContact O-NH1 3.48Å; G117-R162 PolarHBondContact O-NH2 3.49Å
118F45.5Very low56.9Low73 Ų7386.2 Ų86.232%0.3246%0.458SS..G310 helixtrans-56.5-47.3-172.7-121.9-87.5000113.3F112 F115 S120 F157F112-F118 AromaticContact CD1-CD1 3.75Å; F112-F118 HydrophobicContact CD1-CD1 3.75Å; F112-F118 AromaticContact CD1-CE1 3.79Å; F112-F118 HydrophobicContact CD1-CE1 3.79Å; F112-F118 HydrophobicContact CD1-CG 4.14Å; F112-F118 HydrophobicContact CD1-CZ 4.21Å; F112-F118 HydrophobicContact CE1-CD1 4.38Å; F112-F118 AromaticContact CE1-CE1 3.96Å; F112-F118 HydrophobicContact CE1-CE1 3.96Å; F112-F118 HydrophobicContact CE1-CZ 4.17Å; F115-F118 HydrophobicContact CB-CD2 4.08Å; F115-F118 PolarHBondContact O-N 3.4Å; F118-S120 VanDerWaalsContact C-N 3.33Å; F118-S120 PolarHBondContact O-N 2.88Å; F118-F157 AromaticContact CE1-CD1 3.49Å; F118-F157 HydrophobicContact CE1-CD1 3.49Å; F118-F157 VanDerWaalsContact CE1-CD1 3.49Å; F118-F157 AromaticContact CE1-CE1 3.68Å; F118-F157 HydrophobicContact CE1-CE1 3.68Å; F118-F157 AromaticContact CZ-CD1 3.79Å; F118-F157 HydrophobicContact CZ-CD1 3.79Å; F118-F157 HydrophobicContact CZ-CE1 4.36Å
119N44.1Very low59.6Low127 Ų12782.6 Ų82.668%0.67945%0.445SS*.G310 helixtrans-76.1-13.6179.9-63.2-13.6000114.7D113 G117D113-N119 PolarHBondContact OD1-ND2 3.32Å; G117-N119 PolarHBondContact O-N 3.33Å
120S53.7Low62.2Low81 Ų8181 Ų8157%0.56644%0.442SS*.G310 helixtrans-102.938.4-179.652.80000112.2G117 F118 R162G117-S120 PolarHBondContact O-N 3.44Å; G117-S120 PolarHBondContact O-OG 3.49Å; F118-S120 VanDerWaalsContact C-N 3.33Å; F118-S120 PolarHBondContact O-N 2.88Å; S120-R162 PolarHBondContact O-NH2 2.81Å
121A56.3Low64.6Low34 Ų3478.7 Ų78.728%0.28143%0.431SS..PPolyproline II helixtrans-58.7126.2170.400000108.4Q123A121-Q123 PolarHBondContact O-N 3.12Å; A121-Q123 VanDerWaalsContact O-N 3.16Å
122P60.6Low67.1Low58 Ų5878.5 Ų78.538%0.37743%0.431SS..PPolyproline II helixtrans-58.5126.1178.523.5-31.7000108.4
123Q72.4Confident69.6Low184 Ų18479.6 Ų79.686%0.8644%0.435SS*.PPolyproline II helixtrans-65.5145.4171.6-67.1179.4-8.800108.5A121A121-Q123 PolarHBondContact O-N 3.12Å; A121-Q123 VanDerWaalsContact O-N 3.16Å
124F85.1Confident71.9Confident45 Ų4583.2 Ų83.220%0.19744%0.441CS..PPolyproline II helixtrans-63.4157.6173.8-70.3-74000111.2V128 Y152 Y154 R165 W168F124-V128 HydrophobicContact CB-CB 3.82Å; F124-V128 HydrophobicContact CB-CG1 4.14Å; F124-V128 HydrophobicContact CB-CG2 3.96Å; F124-V128 HydrophobicContact CD1-CB 4.4Å; F124-V128 HydrophobicContact CD1-CG1 4.06Å; F124-V128 HydrophobicContact CD1-CG2 4.09Å; F124-V128 HydrophobicContact CG-CB 4.26Å; F124-V128 HydrophobicContact CG-CG1 4.03Å; F124-V128 HydrophobicContact CG-CG2 4.35Å; F124-Y152 HydrophobicContact CE1-CD1 4.03Å; F124-Y152 HydrophobicContact CE1-CE1 4.12Å; F124-Y152 AromaticContact CZ-CD1 3.86Å; F124-Y152 HydrophobicContact CZ-CD1 3.86Å; F124-Y152 AromaticContact CZ-CE1 3.83Å; F124-Y152 HydrophobicContact CZ-CE1 3.83Å; F124-Y154 HydrophobicContact CE2-CD1 4.29Å; F124-Y154 AromaticContact CE2-CE1 3.82Å; F124-Y154 HydrophobicContact CE2-CE1 3.82Å; F124-Y154 HydrophobicContact CZ-CD1 4.13Å; F124-Y154 HydrophobicContact CZ-CE1 4.12Å; F124-R165 HydrophobicContact CE1-CB 4.04Å; F124-R165 HydrophobicContact CE1-CG 3.76Å; F124-R165 HydrophobicContact CZ-CB 4.5Å; F124-R165 HydrophobicContact CZ-CG 3.73Å; F124-W168 HydrophobicContact CE1-CB 4.34Å; F124-W168 AromaticContact CE1-CD1 3.96Å; F124-W168 HydrophobicContact CE1-CG 4.46Å
125S86.7Confident74.2Confident26 Ų2680.2 Ų80.218%0.18243%0.434CS..PPolyproline II helixtrans-64.5158.7168.573.60000111.2N127 V128 S169 D173S125-N127 PolarHBondContact O-N 3.45Å; S125-N127 VanDerWaalsContact O-N 3.12Å; S125-V128 PolarHBondContact O-N 2.7Å; S125-S169 PolarHBondContact N-OG 2.87Å; S125-S169 PolarHBondContact OG-O 3.39Å; S125-D173 WeakPolarHBondContact CB-OD1 3.49Å; S125-D173 PolarHBondContact OG-OD1 2.64Å
126V85.5Confident76.6Confident143 Ų14374.8 Ų74.887%0.86741%0.41SS*.THydrogen-bonded Turntrans-60-24.4-179.8-178.20000112.4V128V126-V128 VanDerWaalsContact C-N 3.28Å; V126-V128 PolarHBondContact O-N 2.86Å
127N90.7Very high79Confident67 Ų6774.4 Ų74.436%0.35839%0.391SS..THydrogen-bonded Turntrans-78.4-10.4179.6-67.6-38000113.5S125 A172 D173S125-N127 PolarHBondContact O-N 3.45Å; S125-N127 VanDerWaalsContact O-N 3.12Å; N127-A172 HydrophobicContact CB-CB 3.96Å; N127-D173 PolarHBondContact ND2-OD1 3.1Å
128V94.3Very high81.1Confident14 Ų1478.7 Ų78.79%0.08541%0.407CS..SBendtrans-84115173.4-177.50000108.8F124 S125 V126 A172F124-V128 HydrophobicContact CB-CB 3.82Å; F124-V128 HydrophobicContact CB-CG1 4.14Å; F124-V128 HydrophobicContact CB-CG2 3.96Å; F124-V128 HydrophobicContact CD1-CB 4.4Å; F124-V128 HydrophobicContact CD1-CG1 4.06Å; F124-V128 HydrophobicContact CD1-CG2 4.09Å; F124-V128 HydrophobicContact CG-CB 4.26Å; F124-V128 HydrophobicContact CG-CG1 4.03Å; F124-V128 HydrophobicContact CG-CG2 4.35Å; S125-V128 PolarHBondContact O-N 2.7Å; V126-V128 VanDerWaalsContact C-N 3.28Å; V126-V128 PolarHBondContact O-N 2.86Å; V128-A172 HydrophobicContact CB-CB 4.49Å; V128-A172 HydrophobicContact CG2-CB 3.46Å; V128-A172 VanDerWaalsContact CG2-CB 3.46Å
129L93.5Very high83.2Confident75 Ų7578.9 Ų78.939%0.39341%0.414SS..EExtended strand (participates in β ladder)trans-80.1130175.4-61.2179.8000110.8I131 T181 V182 A183 S184L129-I131 HydrophobicContact CB-CG1 4.37Å; L129-T181 HydrophobicContact CD1-CG2 3.59Å; L129-V182 PolarHBondContact N-O 3.16Å; L129-A183 HydrophobicContact CB-CB 4.34Å; L129-A183 CarbonylContact O-C 3.56Å; L129-A183 WeakPolarHBondContact O-CA 3.41Å; L129-A183 WeakPolarHBondContact O-CB 3.36Å; L129-S184 PolarHBondContact O-N 3.31Å
130N92.9Very high85.6Confident121 Ų12174.1 Ų74.165%0.64739%0.388SS*.EExtended strand (participates in β ladder)trans-82.5122.2166.8-165.816.2000109S184N130-S184 WeakPolarHBondContact CA-O 3.44Å; N130-S184 PolarHBondContact OD1-O 2.93Å
131I93.5Very high87.3Confident7 Ų772.6 Ų72.64%0.03637%0.373CS..  trans-115.9141.5-175.7-63.6-178.1000109.7L129 L149 A183 S184 V185 L193L129-I131 HydrophobicContact CB-CG1 4.37Å; I131-L149 HydrophobicContact CD1-CD1 3.97Å; I131-A183 HydrophobicContact CD1-CB 3.2Å; I131-A183 HydrophobicContact CG1-CB 3.72Å; I131-S184 PolarHBondContact N-O 3.04Å; I131-S184 VanDerWaalsContact N-O 3.13Å; I131-V185 HydrophobicContact CB-CG2 4.12Å; I131-V185 WeakPolarHBondContact O-CG2 3.3Å; I131-L193 HydrophobicContact CG2-CD2 4.28Å
132D92.9Very high88.6Confident69 Ų6973.9 Ų73.937%0.36938%0.379SS..  trans-110.8166.7168.164.8-22.7000110.7R134 S135 Y136 D190D132-R134 PolarHBondContact O-N 3.07Å; D132-S135 PolarHBondContact O-N 3.05Å; D132-S135 WeakPolarHBondContact OD1-CA 3.27Å; D132-S135 WeakPolarHBondContact OD1-CB 3.36Å; D132-S135 PolarHBondContact OD1-N 3.25Å; D132-S135 PolarHBondContact OD1-OG 3.04Å; D132-Y136 WeakPolarHBondContact O-CB 3.43Å; D132-Y136 PolarHBondContact O-N 3.39Å; D132-D190 WeakPolarHBondContact CA-OD2 3.49Å
133F94.3Very high89.9Confident63 Ų6377.6 Ų77.628%0.27639%0.385SS..Hα-helixtrans-51.9-41.8-180177.3-108.2000112.6R137 D190 A192 L193 E196F133-R137 WeakPolarHBondContact O-CB 3.03Å; F133-R137 PolarHBondContact O-N 2.76Å; F133-D190 PolarHBondContact N-OD2 2.78Å; F133-A192 HydrophobicContact CB-CB 4.2Å; F133-A192 HydrophobicContact CD1-CB 4.2Å; F133-A192 HydrophobicContact CD2-CB 3.94Å; F133-A192 HydrophobicContact CE2-CB 4.35Å; F133-A192 HydrophobicContact CG-CB 3.85Å; F133-L193 HydrophobicContact CB-CB 4.05Å; F133-L193 HydrophobicContact CD2-CB 4.28Å; F133-L193 HydrophobicContact CD2-CD1 4.46Å; F133-E196 HydrophobicContact CD2-CB 4.47Å; F133-E196 HydrophobicContact CE2-CB 4.02Å; F133-E196 HydrophobicContact CE2-CG 4.25Å
134R92Very high90.6Very high178 Ų17868.9 Ų68.967%0.67235%0.345SS*.Hα-helixtrans-66.3-49.4-179.3-176.3175.9178.5168.8-0.9111.8D132 Y136 R137 L138D132-R134 PolarHBondContact O-N 3.07Å; R134-Y136 VanDerWaalsContact C-N 3.35Å; R134-R137 PolarHBondContact O-N 3.43Å; R134-L138 HydrophobicContact CG-CD1 3.71Å; R134-L138 HydrophobicContact CG-CG 4.42Å; R134-L138 WeakPolarHBondContact O-CB 3.46Å; R134-L138 WeakPolarHBondContact O-CG 3.25Å; R134-L138 PolarHBondContact O-N 3.42Å
135S92.6Very high90.4Very high43 Ų4373.6 Ų73.630%0.30136%0.361SS..Hα-helixtrans-66.1-40.2177.8-57.20000110.9D132 R137 T139 H140D132-S135 PolarHBondContact O-N 3.05Å; D132-S135 WeakPolarHBondContact OD1-CA 3.27Å; D132-S135 WeakPolarHBondContact OD1-CB 3.36Å; D132-S135 PolarHBondContact OD1-N 3.25Å; D132-S135 PolarHBondContact OD1-OG 3.04Å; S135-R137 VanDerWaalsContact C-N 3.35Å; S135-R137 PolarHBondContact O-N 2.87Å; S135-T139 PolarHBondContact O-N 3.27Å; S135-T139 PolarHBondContact O-OG1 2.84Å; S135-H140 PolarHBondContact O-N 2.9Å; S135-H140 VanDerWaalsContact O-N 3.14Å
136Y94.8Very high89.9Confident1 Ų175.6 Ų75.60%0.00437%0.373CS..Iπ-helixtrans-52.7-53.4173.9173.9-105.2000111.2D132 R134 H140 L141 L149 I151 L193 E196 L197 V208D132-Y136 WeakPolarHBondContact O-CB 3.43Å; D132-Y136 PolarHBondContact O-N 3.39Å; R134-Y136 VanDerWaalsContact C-N 3.35Å; Y136-H140 PolarHBondContact O-N 3.4Å; Y136-L141 HydrophobicContact CE1-CB 4.46Å; Y136-L141 HydrophobicContact CE1-CD1 3.67Å; Y136-L141 HydrophobicContact CE2-CB 4.5Å; Y136-L141 WeakPolarHBondContact O-CB 3.45Å; Y136-L141 PolarHBondContact O-N 3.24Å; Y136-L149 HydrophobicContact CD2-CD2 4Å; Y136-L149 HydrophobicContact CE2-CD2 3.94Å; Y136-I151 HydrophobicContact CD2-CD1 4.1Å; Y136-I151 HydrophobicContact CE2-CD1 3.88Å; Y136-L193 HydrophobicContact CD1-CD1 3.47Å; Y136-L193 VanDerWaalsContact CD1-CD1 3.47Å; Y136-L193 HydrophobicContact CD2-CD1 4.18Å; Y136-L193 HydrophobicContact CE1-CD1 4.1Å; Y136-L193 HydrophobicContact CG-CD1 3.51Å; Y136-E196 HydrophobicContact CD1-CG 4.3Å; Y136-E196 HydrophobicContact CE1-CG 3.69Å; Y136-L197 HydrophobicContact CE1-CD2 4.44Å; Y136-L197 HydrophobicContact CE2-CD2 4Å; Y136-V208 HydrophobicContact CE2-CG2 4.25Å
137R92.4Very high90.1Very high131 Ų13169.7 Ų69.749%0.49434%0.337SS..Iπ-helixtrans-73.2-38-173.9-167.9175.5179.4103.4-2.6113.9F133 R134 S135 P142 E196F133-R137 WeakPolarHBondContact O-CB 3.03Å; F133-R137 PolarHBondContact O-N 2.76Å; R134-R137 PolarHBondContact O-N 3.43Å; S135-R137 VanDerWaalsContact C-N 3.35Å; S135-R137 PolarHBondContact O-N 2.87Å; R137-P142 WeakPolarHBondContact O-CD 3.5Å; R137-E196 IonicContact NH1-OE1 3.25Å; R137-E196 IonicContact NH1-OE2 2.71Å
138L90.1Very high90.2Very high113 Ų11366.6 Ų66.659%0.59232%0.32SS*.Iπ-helixtrans-90.1-32.6-173.3-64.7179.7000113.8R134R134-L138 HydrophobicContact CG-CD1 3.71Å; R134-L138 HydrophobicContact CG-CG 4.42Å; R134-L138 WeakPolarHBondContact O-CB 3.46Å; R134-L138 WeakPolarHBondContact O-CG 3.25Å; R134-L138 PolarHBondContact O-N 3.42Å
139T89.7Confident90.3Very high76 Ų7666 Ų6647%0.46632%0.316SS..Iπ-helixtrans-115.2-51.9-173.167.70000112.3S135 R143S135-T139 PolarHBondContact O-N 3.27Å; S135-T139 PolarHBondContact O-OG1 2.84Å; T139-R143 WeakPolarHBondContact O-CB 3.2Å; T139-R143 PolarHBondContact O-N 3.45Å
140H92.7Very high90.4Very high27 Ų2762.4 Ų62.413%0.12530%0.298CS..Iπ-helixtrans-81.2-40.8-169.8-66.2-75.7000113.6S135 Y136 R143 S144 L149S135-H140 PolarHBondContact O-N 2.9Å; S135-H140 VanDerWaalsContact O-N 3.14Å; Y136-H140 PolarHBondContact O-N 3.4Å; H140-R143 CarbonylContact O-C 3.51Å; H140-R143 PolarHBondContact O-N 3.26Å; H140-S144 PolarHBondContact O-N 3.48Å; H140-L149 HydrophobicContact CB-CD2 3.88Å
141L89.5Confident90.6Very high49 Ų4956.8 Ų56.826%0.25727%0.267SS..Hα-helixtrans-64-45.5179.2179.8141.4000112Y136 R143 S144Y136-L141 HydrophobicContact CE1-CB 4.46Å; Y136-L141 HydrophobicContact CE1-CD1 3.67Å; Y136-L141 HydrophobicContact CE2-CB 4.5Å; Y136-L141 WeakPolarHBondContact O-CB 3.45Å; Y136-L141 PolarHBondContact O-N 3.24Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 3.03Å; L141-S144 WeakPolarHBondContact O-CB 3.17Å; L141-S144 PolarHBondContact O-N 3.38Å; L141-S144 PolarHBondContact O-OG 2.74Å
142P84.9Confident90.7Very high61 Ų6156.4 Ų56.440%0.39627%0.266SS..Hα-helixtrans-62.9-37.5172.1-24.235.5000113.1R137 S144 R145R137-P142 WeakPolarHBondContact O-CD 3.5Å; P142-S144 VanDerWaalsContact C-N 3.28Å; P142-S144 PolarHBondContact O-N 2.8Å; P142-R145 WeakPolarHBondContact O-CG 3.33Å
143R87.1Confident90.8Very high137 Ų13753.2 Ų53.252%0.51725%0.249SC..Hα-helixtrans-70.7-21.6178-172.7176.8175.1-177-2.5113.1T139 H140 L141 R145 T146 V147T139-R143 WeakPolarHBondContact O-CB 3.2Å; T139-R143 PolarHBondContact O-N 3.45Å; H140-R143 CarbonylContact O-C 3.51Å; H140-R143 PolarHBondContact O-N 3.26Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-R143 PolarHBondContact O-N 3.03Å; R143-R145 PolarHBondContact O-N 3.36Å; R143-T146 PolarHBondContact O-N 3.42Å; R143-T146 PolarHBondContact O-OG1 2.91Å; R143-V147 HydrophobicContact CG-CB 4.2Å; R143-V147 HydrophobicContact CG-CG2 4.43Å; R143-V147 PolarHBondContact O-N 3.27Å
144S88.5Confident90.7Very high1 Ų151.3 Ų51.31%0.00724%0.24CC..THydrogen-bonded Turntrans-59.4-15.4178.776.10000114.6H140 L141 P142 T146 V147 D210 G211H140-S144 PolarHBondContact O-N 3.48Å; L141-S144 WeakPolarHBondContact O-CB 3.17Å; L141-S144 PolarHBondContact O-N 3.38Å; L141-S144 PolarHBondContact O-OG 2.74Å; P142-S144 VanDerWaalsContact C-N 3.28Å; P142-S144 PolarHBondContact O-N 2.8Å; S144-T146 VanDerWaalsContact C-N 3.32Å; S144-V147 VanDerWaalsContact CA-O 3.26Å; S144-V147 WeakPolarHBondContact CA-O 3.32Å; S144-D210 PolarHBondContact O-N 3.08Å; S144-G211 WeakPolarHBondContact OG-CA 3.46Å; S144-G211 PolarHBondContact OG-N 3.02Å
145R79.2Confident90.6Very high143 Ų14343.9 Ų43.954%0.5422%0.215SC..THydrogen-bonded Turntrans-64.4-31.5172.9-65-176.3177.6169.91.2113.9P142 R143 F301P142-R145 WeakPolarHBondContact O-CG 3.33Å; R143-R145 PolarHBondContact O-N 3.36Å; R145-F301 VanDerWaalsContact O-CZ 3.31Å; R145-F301 WeakPolarHBondContact O-CZ 3.26Å
146T77.3Confident90.1Very high69 Ų6945.1 Ų45.142%0.42322%0.218SC..THydrogen-bonded Turntrans-117.9-25.3-179.156.80000112.5R143 S144R143-T146 PolarHBondContact O-N 3.42Å; R143-T146 PolarHBondContact O-OG1 2.91Å; S144-T146 VanDerWaalsContact C-N 3.32Å
147V89.4Confident89.3Confident19 Ų1950.5 Ų50.512%0.11524%0.242CC..SBendtrans-127.6107.9-177.41750000109.2R143 S144 G179 T181R143-V147 HydrophobicContact CG-CB 4.2Å; R143-V147 HydrophobicContact CG-CG2 4.43Å; R143-V147 PolarHBondContact O-N 3.27Å; S144-V147 VanDerWaalsContact CA-O 3.26Å; S144-V147 WeakPolarHBondContact CA-O 3.32Å; V147-G179 WeakPolarHBondContact CG1-O 3.08Å; V147-T181 VanDerWaalsContact CG1-OG1 3.22Å; V147-T181 WeakPolarHBondContact CG1-OG1 3.14Å
148P93.6Very high89Confident1 Ų145.1 Ų45.11%0.00622%0.224CC..  trans-61.5144.4178.729.4-37.2000110.7I180 T181 V209 I234P148-I180 HydrophobicContact CG-CB 4.37Å; P148-I180 HydrophobicContact CG-CG1 3.85Å; P148-I180 HydrophobicContact CG-CG2 4.3Å; P148-T181 PolarHBondContact O-N 2.87Å; P148-V209 HydrophobicContact CB-CG2 4Å; P148-I234 HydrophobicContact CB-CD1 4.19Å; P148-I234 HydrophobicContact CB-CG1 4.39Å; P148-I234 HydrophobicContact CG-CD1 3.9Å
149L94.9Very high88.7Confident2 Ų246.7 Ų46.71%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-114.4130.9-176.5173.770.8000109.6I131 Y136 H140 I151 T181 A183 V208I131-L149 HydrophobicContact CD1-CD1 3.97Å; Y136-L149 HydrophobicContact CD2-CD2 4Å; Y136-L149 HydrophobicContact CE2-CD2 3.94Å; H140-L149 HydrophobicContact CB-CD2 3.88Å; L149-I151 HydrophobicContact CD1-CG1 4.31Å; L149-I151 HydrophobicContact CD2-CD1 3.68Å; L149-I151 HydrophobicContact CD2-CG1 3.89Å; L149-I151 HydrophobicContact CG-CD1 4.09Å; L149-I151 HydrophobicContact CG-CG1 3.72Å; L149-T181 CarbonylContact C-O 3.11Å; L149-T181 WeakPolarHBondContact CA-O 3.03Å; L149-T181 HydrophobicContact CD1-CG2 3.6Å; L149-A183 HydrophobicContact CD1-CB 4.15Å; L149-V208 HydrophobicContact CB-CB 4.19Å; L149-V208 HydrophobicContact CD2-CB 4.35Å; L149-V208 HydrophobicContact CD2-CG2 4.46Å; L149-V208 PolarHBondContact N-O 3.1Å; L149-V208 PolarHBondContact O-N 3.48Å
150F96.5Very high88.6Confident0 Ų046.2 Ų46.20%023%0.225CC..EExtended strand (participates in β ladder)trans-119.3113.9-178.6-161.9-159.7000108.9W168 L171 L175 I180 T181 V182 A183 V205 I207 L226 L230F150-W168 HydrophobicContact CB-CH2 4.33Å; F150-W168 HydrophobicContact CB-CZ2 4.47Å; F150-W168 AromaticContact CD1-CH2 3.48Å; F150-W168 HydrophobicContact CD1-CH2 3.48Å; F150-W168 VanDerWaalsContact CD1-CH2 3.48Å; F150-W168 HydrophobicContact CD1-CZ2 4.12Å; F150-W168 AromaticContact CD1-CZ3 3.96Å; F150-W168 HydrophobicContact CD1-CZ3 3.96Å; F150-W168 AromaticContact CD2-CH2 3.65Å; F150-W168 HydrophobicContact CD2-CH2 3.65Å; F150-W168 HydrophobicContact CD2-CZ3 4.42Å; F150-W168 AromaticContact CE1-CH2 3.63Å; F150-W168 HydrophobicContact CE1-CH2 3.63Å; F150-W168 AromaticContact CE1-CZ3 3.64Å; F150-W168 HydrophobicContact CE1-CZ3 3.64Å; F150-W168 AromaticContact CE2-CH2 3.81Å; F150-W168 HydrophobicContact CE2-CH2 3.81Å; F150-W168 HydrophobicContact CE2-CZ3 4.15Å; F150-W168 AromaticContact CG-CH2 3.5Å; F150-W168 HydrophobicContact CG-CH2 3.5Å; F150-W168 HydrophobicContact CG-CZ2 4.08Å; F150-W168 HydrophobicContact CG-CZ3 4.36Å; F150-W168 AromaticContact CZ-CH2 3.8Å; F150-W168 HydrophobicContact CZ-CH2 3.8Å; F150-W168 AromaticContact CZ-CZ3 3.75Å; F150-W168 HydrophobicContact CZ-CZ3 3.75Å; F150-W168 WeakPolarHBondContact O-CZ2 3.24Å; F150-L171 HydrophobicContact CE1-CD1 4.38Å; F150-L175 HydrophobicContact CD1-CD1 3.91Å; F150-L175 HydrophobicContact CE1-CD1 4.16Å; F150-I180 HydrophobicContact CB-CG2 4.34Å; F150-T181 PolarHBondContact N-O 3.13Å; F150-V182 HydrophobicContact CB-CG2 4.44Å; F150-V182 CarbonylContact O-C 3.51Å; F150-V182 WeakPolarHBondContact O-CA 3Å; F150-A183 PolarHBondContact O-N 3.35Å; F150-V205 HydrophobicContact CD2-CG1 3.86Å; F150-V205 HydrophobicContact CE2-CG1 3.12Å; F150-V205 HydrophobicContact CZ-CG1 3.76Å; F150-I207 HydrophobicContact CD2-CB 4.38Å; F150-I207 HydrophobicContact CD2-CD1 4.47Å; F150-I207 HydrophobicContact CD2-CG1 3.41Å; F150-I207 VanDerWaalsContact CD2-CG1 3.41Å; F150-I207 HydrophobicContact CE2-CD1 3.97Å; F150-I207 HydrophobicContact CE2-CG1 3.34Å; F150-I207 HydrophobicContact CZ-CG1 4.5Å; F150-L226 HydrophobicContact CZ-CB 4.1Å; F150-L226 HydrophobicContact CZ-CD2 4.18Å; F150-L230 HydrophobicContact CB-CD1 4.22Å; F150-L230 HydrophobicContact CD1-CD1 3.6Å; F150-L230 HydrophobicContact CD2-CD1 4.27Å; F150-L230 HydrophobicContact CE1-CD1 3.87Å; F150-L230 HydrophobicContact CE2-CD1 4.46Å; F150-L230 HydrophobicContact CG-CD1 3.81Å; F150-L230 HydrophobicContact CZ-CD1 4.28Å
151I96.9Very high88.5Confident2 Ų245 Ų451%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-115.1131.7-169.6-50175.4000109.4Y136 L149 A183 V185 L197 V205 T206 V208Y136-I151 HydrophobicContact CD2-CD1 4.1Å; Y136-I151 HydrophobicContact CE2-CD1 3.88Å; L149-I151 HydrophobicContact CD1-CG1 4.31Å; L149-I151 HydrophobicContact CD2-CD1 3.68Å; L149-I151 HydrophobicContact CD2-CG1 3.89Å; L149-I151 HydrophobicContact CG-CD1 4.09Å; L149-I151 HydrophobicContact CG-CG1 3.72Å; I151-A183 WeakPolarHBondContact CA-O 3.37Å; I151-V185 HydrophobicContact CG2-CB 4.36Å; I151-V185 HydrophobicContact CG2-CG2 3.72Å; I151-L197 HydrophobicContact CD1-CD1 3.98Å; I151-L197 HydrophobicContact CD1-CD2 3.87Å; I151-L197 HydrophobicContact CG2-CD1 4.19Å; I151-V205 WeakPolarHBondContact O-CA 3.32Å; I151-T206 WeakPolarHBondContact CB-OG1 3.3Å; I151-T206 PolarHBondContact N-O 2.79Å; I151-T206 PolarHBondContact O-N 3.4Å; I151-V208 HydrophobicContact CD1-CG2 4.03Å
152Y95.6Very high88.3Confident0 Ų045.9 Ų45.90%022%0.219CC..EExtended strand (participates in β ladder)trans-109.3115.2171.3170.6-119.3000110.8F124 Y154 C161 V164 R165 W168 A183 S184 V185 P203 V205F124-Y152 HydrophobicContact CE1-CD1 4.03Å; F124-Y152 HydrophobicContact CE1-CE1 4.12Å; F124-Y152 AromaticContact CZ-CD1 3.86Å; F124-Y152 HydrophobicContact CZ-CD1 3.86Å; F124-Y152 AromaticContact CZ-CE1 3.83Å; F124-Y152 HydrophobicContact CZ-CE1 3.83Å; Y152-Y154 HydrophobicContact CD1-CD1 4.16Å; Y152-Y154 HydrophobicContact CE1-CD1 4.05Å; Y152-Y154 HydrophobicContact CE1-CG 4.16Å; Y152-C161 VanDerWaalsContact OH-C 3.31Å; Y152-C161 WeakPolarHBondContact OH-CA 3.14Å; Y152-C161 WeakPolarHBondContact OH-CB 3.46Å; Y152-C161 PolarHBondContact OH-O 2.65Å; Y152-V164 HydrophobicContact CD2-CG1 4.28Å; Y152-V164 HydrophobicContact CE2-CB 4.14Å; Y152-V164 HydrophobicContact CE2-CG1 3.75Å; Y152-R165 HydrophobicContact CE1-CG 4.31Å; Y152-W168 HydrophobicContact CD1-CG 4.21Å; Y152-W168 HydrophobicContact CG-CD2 4.05Å; Y152-W168 HydrophobicContact CG-CE3 4.43Å; Y152-W168 HydrophobicContact CG-CG 4.22Å; Y152-A183 PolarHBondContact N-O 2.95Å; Y152-S184 CarbonylContact O-C 3.49Å; Y152-S184 VanDerWaalsContact O-CA 3.28Å; Y152-S184 WeakPolarHBondContact O-CA 3.45Å; Y152-V185 PolarHBondContact O-N 3.33Å; Y152-P203 HydrophobicContact CE2-CB 3.71Å; Y152-V205 HydrophobicContact CD2-CG2 4.09Å
153G94.2Very high88.3Confident1 Ų148.5 Ų48.51%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-89.7122.6174.100000111.1V185 P203 S204G153-V185 WeakPolarHBondContact CA-O 3.35Å; G153-P203 WeakPolarHBondContact O-CA 3.31Å; G153-S204 WeakPolarHBondContact CA-OG 3.38Å; G153-S204 PolarHBondContact N-O 3.05Å; G153-S204 PolarHBondContact O-N 3.32Å
154Y92.5Very high88.5Confident24 Ų2442.3 Ų42.39%0.09420%0.203CC..EExtended strand (participates in β ladder)trans-129.3170.8176.772.2-85.7000111.8F124 Y152 V185 N186 L187F124-Y154 HydrophobicContact CE2-CD1 4.29Å; F124-Y154 AromaticContact CE2-CE1 3.82Å; F124-Y154 HydrophobicContact CE2-CE1 3.82Å; F124-Y154 HydrophobicContact CZ-CD1 4.13Å; F124-Y154 HydrophobicContact CZ-CE1 4.12Å; Y152-Y154 HydrophobicContact CD1-CD1 4.16Å; Y152-Y154 HydrophobicContact CE1-CD1 4.05Å; Y152-Y154 HydrophobicContact CE1-CG 4.16Å; Y154-V185 WeakPolarHBondContact CD1-O 3.36Å; Y154-V185 PolarHBondContact N-O 3.44Å; Y154-N186 HydrophobicContact CE1-CB 4.41Å; Y154-N186 HydrophobicContact CE2-CB 4.12Å; Y154-N186 CarbonylContact O-C 3.57Å; Y154-N186 WeakPolarHBondContact O-CA 3.49Å; Y154-L187 PolarHBondContact O-N 3.09Å
155S90.2Very high88.6Confident22 Ų2243.4 Ų43.415%0.15421%0.207CC..  trans-132.1158.2165.564.70000108.6C158S155-C158 WeakPolarHBondContact OG-CB 3.29Å
156D81.6Confident89.1Confident68 Ų6839.9 Ų39.936%0.36420%0.203SC..THydrogen-bonded Turntrans-72.8-34.3-173.2-67.6-46000112C158 R165 N186 H189D156-C158 VanDerWaalsContact C-N 3.34Å; D156-C158 PolarHBondContact O-N 3.44Å; D156-R165 IonicContact OD1-NH2 3.41Å; D156-N186 VanDerWaalsContact CG-ND2 3.34Å; D156-N186 PolarHBondContact OD1-ND2 2.93Å; D156-N186 PolarHBondContact OD2-ND2 3.33Å; D156-H189 IonicContact OD2-CE1 2.66Å; D156-H189 PolarHBondContact OD2-CE1 2.8Å; D156-H189 VanDerWaalsContact OD2-CE1 3.24Å; D156-H189 IonicContact OD2-ND1 3.18Å
157F78.7Confident89.8Confident114 Ų11439 Ų3950%0.520%0.195SC..THydrogen-bonded Turntrans-94.136.3179.5-58.4-71.4000113.6F112 F118F112-F157 AromaticContact CD1-CE1 3.93Å; F112-F157 HydrophobicContact CD1-CE1 3.93Å; F112-F157 AromaticContact CE1-CD1 3.66Å; F112-F157 HydrophobicContact CE1-CD1 3.66Å; F112-F157 AromaticContact CE1-CE1 3.18Å; F112-F157 HydrophobicContact CE1-CE1 3.18Å; F112-F157 HydrophobicContact CE1-CZ 4.17Å; F112-F157 HydrophobicContact CE2-CE1 4.1Å; F112-F157 HydrophobicContact CE2-CZ 4.34Å; F112-F157 AromaticContact CZ-CD1 3.98Å; F112-F157 HydrophobicContact CZ-CD1 3.98Å; F112-F157 AromaticContact CZ-CE1 3.27Å; F112-F157 HydrophobicContact CZ-CE1 3.27Å; F112-F157 AromaticContact CZ-CZ 3.82Å; F112-F157 HydrophobicContact CZ-CZ 3.82Å; F118-F157 AromaticContact CE1-CD1 3.49Å; F118-F157 HydrophobicContact CE1-CD1 3.49Å; F118-F157 VanDerWaalsContact CE1-CD1 3.49Å; F118-F157 AromaticContact CE1-CE1 3.68Å; F118-F157 HydrophobicContact CE1-CE1 3.68Å; F118-F157 AromaticContact CZ-CD1 3.79Å; F118-F157 HydrophobicContact CZ-CD1 3.79Å; F118-F157 HydrophobicContact CZ-CE1 4.36Å
158C85.7Confident90.1Very high18 Ų1838.1 Ų38.112%0.12219%0.19CC..  trans-118.3109-179.5164.80000112.6S155 D156 C161 R162 V202S155-C158 WeakPolarHBondContact OG-CB 3.29Å; D156-C158 VanDerWaalsContact C-N 3.34Å; D156-C158 PolarHBondContact O-N 3.44Å; C158-C161 HydrophobicContact CB-CB 3.68Å; C158-C161 WeakPolarHBondContact CB-SG 3.46Å; C158-C161 VanDerWaalsContact O-CB 3.3Å; C158-C161 WeakPolarHBondContact O-CB 3.08Å; C158-C161 PolarHBondContact O-N 2.67Å; C158-C161 WeakPolarHBondContact SG-CB 2.98Å; C158-C161 PolarHBondContact SG-N 3.27Å; C158-C161 CovalentContact SG-SG 2.06Å; C158-C161 PolarHBondContact SG-SG 2.79Å; C158-R162 PolarHBondContact O-N 3.22Å; C158-V202 HydrophobicContact CB-CG1 4.15Å
159F84.3Confident90.1Very high147 Ų14738.8 Ų38.865%0.64520%0.195SC*.Hα-helixtrans-63.4-44.5179.1-175.9-100.1000113.9C161 R162 Q163F159-C161 PolarHBondContact O-N 3.16Å; F159-R162 WeakPolarHBondContact O-CB 3.37Å; F159-R162 PolarHBondContact O-N 3.37Å; F159-Q163 PolarHBondContact O-N 3.07Å
160P86.7Confident90.1Very high66 Ų6643.3 Ų43.343%0.42922%0.216SC..Hα-helixtrans-58.2-34.9173.9-24.534.3000112.6R162 Q163 V164 P203P160-R162 VanDerWaalsContact C-N 3.32Å; P160-R162 PolarHBondContact O-N 3.26Å; P160-Q163 WeakPolarHBondContact O-CB 3.37Å; P160-Q163 PolarHBondContact O-N 2.87Å; P160-Q163 VanDerWaalsContact O-N 3.16Å; P160-V164 PolarHBondContact O-N 2.85Å; P160-P203 HydrophobicContact CB-CG 4.07Å
161C90.6Very high90Very high0 Ų043.3 Ų43.30%022%0.216CC..Hα-helixtrans-62.2-43-179.8-59.10000111.8Y152 C158 F159 Q163 V164 R165 V202Y152-C161 VanDerWaalsContact OH-C 3.31Å; Y152-C161 WeakPolarHBondContact OH-CA 3.14Å; Y152-C161 WeakPolarHBondContact OH-CB 3.46Å; Y152-C161 PolarHBondContact OH-O 2.65Å; C158-C161 HydrophobicContact CB-CB 3.68Å; C158-C161 WeakPolarHBondContact CB-SG 3.46Å; C158-C161 VanDerWaalsContact O-CB 3.3Å; C158-C161 WeakPolarHBondContact O-CB 3.08Å; C158-C161 PolarHBondContact O-N 2.67Å; C158-C161 WeakPolarHBondContact SG-CB 2.98Å; C158-C161 PolarHBondContact SG-N 3.27Å; C158-C161 CovalentContact SG-SG 2.06Å; C158-C161 PolarHBondContact SG-SG 2.79Å; F159-C161 PolarHBondContact O-N 3.16Å; C161-Q163 PolarHBondContact O-N 3.06Å; C161-V164 PolarHBondContact O-N 3.46Å; C161-R165 WeakPolarHBondContact O-CG 3.32Å; C161-R165 PolarHBondContact O-N 2.66Å; C161-R165 VanDerWaalsContact O-N 3.08Å; C161-V202 WeakPolarHBondContact SG-CG1 3.4Å
162R84.9Confident90Very high69 Ų6943.2 Ų43.226%0.2622%0.215SC..Hα-helixtrans-60.7-32.2177.2-169.2175.7-179.7155-1.2113.4G117 S120 C158 F159 P160 V164 P166G117-R162 VanDerWaalsContact C-NH1 3.3Å; G117-R162 PolarHBondContact O-NH1 3.48Å; G117-R162 PolarHBondContact O-NH2 3.49Å; S120-R162 PolarHBondContact O-NH2 2.81Å; C158-R162 PolarHBondContact O-N 3.22Å; F159-R162 WeakPolarHBondContact O-CB 3.37Å; F159-R162 PolarHBondContact O-N 3.37Å; P160-R162 VanDerWaalsContact C-N 3.32Å; P160-R162 PolarHBondContact O-N 3.26Å; R162-V164 VanDerWaalsContact C-N 3.34Å; R162-P166 WeakPolarHBondContact O-CD 3.45Å
163Q86.7Confident89.9Confident116 Ų11646.9 Ų46.954%0.54224%0.235SC..Hα-helixtrans-70.4-31.2175.7-62.3-178.7-13.600112.4F159 P160 C161 P166F159-Q163 PolarHBondContact O-N 3.07Å; P160-Q163 WeakPolarHBondContact O-CB 3.37Å; P160-Q163 PolarHBondContact O-N 2.87Å; P160-Q163 VanDerWaalsContact O-N 3.16Å; C161-Q163 PolarHBondContact O-N 3.06Å; Q163-P166 WeakPolarHBondContact O-CD 3.46Å; Q163-P166 WeakPolarHBondContact O-CG 3.14Å
164V90.5Very high89.9Confident6 Ų650.6 Ų50.64%0.03625%0.252CS..Hα-helixtrans-81.9-30-179.4-179.10000112.3Y152 P160 C161 R162 I167 W168 F221Y152-V164 HydrophobicContact CD2-CG1 4.28Å; Y152-V164 HydrophobicContact CE2-CB 4.14Å; Y152-V164 HydrophobicContact CE2-CG1 3.75Å; P160-V164 PolarHBondContact O-N 2.85Å; C161-V164 PolarHBondContact O-N 3.46Å; R162-V164 VanDerWaalsContact C-N 3.34Å; V164-I167 WeakPolarHBondContact O-CB 3.39Å; V164-I167 PolarHBondContact O-N 3.49Å; V164-W168 PolarHBondContact O-N 2.95Å; V164-F221 HydrophobicContact CG1-CB 4.16Å; V164-F221 HydrophobicContact CG1-CD1 4.35Å; V164-F221 HydrophobicContact CG1-CG 4.28Å; V164-F221 HydrophobicContact CG2-CB 3.63Å; V164-F221 HydrophobicContact CG2-CD1 4.36Å; V164-F221 HydrophobicContact CG2-CD2 3.73Å; V164-F221 HydrophobicContact CG2-CG 3.63Å
165R90.3Very high90Very high25 Ų2549.6 Ų49.69%0.09425%0.248CC..Hα-helixtrans-46.2-48179-71.1-171.1-177.8-178.21115.7F124 Y152 D156 C161 W168 S169F124-R165 HydrophobicContact CE1-CB 4.04Å; F124-R165 HydrophobicContact CE1-CG 3.76Å; F124-R165 HydrophobicContact CZ-CB 4.5Å; F124-R165 HydrophobicContact CZ-CG 3.73Å; Y152-R165 HydrophobicContact CE1-CG 4.31Å; D156-R165 IonicContact OD1-NH2 3.41Å; C161-R165 WeakPolarHBondContact O-CG 3.32Å; C161-R165 PolarHBondContact O-N 2.66Å; C161-R165 VanDerWaalsContact O-N 3.08Å; R165-W168 PolarHBondContact O-N 3.33Å; R165-S169 PolarHBondContact O-N 3.03Å; R165-S169 PolarHBondContact O-OG 2.79Å
166P89.9Confident90.1Very high69 Ų6950.8 Ų50.845%0.44826%0.255SS..Hα-helixtrans-65.9-40.817824.5-34.3000112.8R162 Q163 W168 S169 Q170R162-P166 WeakPolarHBondContact O-CD 3.45Å; Q163-P166 WeakPolarHBondContact O-CD 3.46Å; Q163-P166 WeakPolarHBondContact O-CG 3.14Å; P166-W168 VanDerWaalsContact C-N 3.27Å; P166-W168 PolarHBondContact O-N 3.43Å; P166-S169 PolarHBondContact O-N 3.11Å; P166-Q170 PolarHBondContact O-N 2.67Å
167I92.2Very high90.4Very high50 Ų5052.1 Ų52.126%0.25627%0.267SS..Hα-helixtrans-61.9-40.4176.3-58174.6000109.8V164 Q170 L171 F221 H223 L226V164-I167 WeakPolarHBondContact O-CB 3.39Å; V164-I167 PolarHBondContact O-N 3.49Å; I167-Q170 PolarHBondContact O-N 3.28Å; I167-L171 HydrophobicContact CG2-CD1 4.23Å; I167-L171 WeakPolarHBondContact O-CG 3.49Å; I167-L171 PolarHBondContact O-N 2.86Å; I167-F221 WeakPolarHBondContact CD1-O 3.22Å; I167-H223 HydrophobicContact CG2-CB 4.33Å; I167-L226 HydrophobicContact CG2-CD1 4.44Å
168W95.1Very high90.8Very high0 Ų048.6 Ų48.60%025%0.253CS..Hα-helixtrans-65.4-40.6178-161.3-107.5000112.9F124 F150 Y152 V164 R165 P166 L171 A172 V182 A183 V205F124-W168 HydrophobicContact CE1-CB 4.34Å; F124-W168 AromaticContact CE1-CD1 3.96Å; F124-W168 HydrophobicContact CE1-CG 4.46Å; F150-W168 HydrophobicContact CB-CH2 4.33Å; F150-W168 HydrophobicContact CB-CZ2 4.47Å; F150-W168 AromaticContact CD1-CH2 3.48Å; F150-W168 HydrophobicContact CD1-CH2 3.48Å; F150-W168 VanDerWaalsContact CD1-CH2 3.48Å; F150-W168 HydrophobicContact CD1-CZ2 4.12Å; F150-W168 AromaticContact CD1-CZ3 3.96Å; F150-W168 HydrophobicContact CD1-CZ3 3.96Å; F150-W168 AromaticContact CD2-CH2 3.65Å; F150-W168 HydrophobicContact CD2-CH2 3.65Å; F150-W168 HydrophobicContact CD2-CZ3 4.42Å; F150-W168 AromaticContact CE1-CH2 3.63Å; F150-W168 HydrophobicContact CE1-CH2 3.63Å; F150-W168 AromaticContact CE1-CZ3 3.64Å; F150-W168 HydrophobicContact CE1-CZ3 3.64Å; F150-W168 AromaticContact CE2-CH2 3.81Å; F150-W168 HydrophobicContact CE2-CH2 3.81Å; F150-W168 HydrophobicContact CE2-CZ3 4.15Å; F150-W168 AromaticContact CG-CH2 3.5Å; F150-W168 HydrophobicContact CG-CH2 3.5Å; F150-W168 HydrophobicContact CG-CZ2 4.08Å; F150-W168 HydrophobicContact CG-CZ3 4.36Å; F150-W168 AromaticContact CZ-CH2 3.8Å; F150-W168 HydrophobicContact CZ-CH2 3.8Å; F150-W168 AromaticContact CZ-CZ3 3.75Å; F150-W168 HydrophobicContact CZ-CZ3 3.75Å; F150-W168 WeakPolarHBondContact O-CZ2 3.24Å; Y152-W168 HydrophobicContact CD1-CG 4.21Å; Y152-W168 HydrophobicContact CG-CD2 4.05Å; Y152-W168 HydrophobicContact CG-CE3 4.43Å; Y152-W168 HydrophobicContact CG-CG 4.22Å; V164-W168 PolarHBondContact O-N 2.95Å; R165-W168 PolarHBondContact O-N 3.33Å; P166-W168 VanDerWaalsContact C-N 3.27Å; P166-W168 PolarHBondContact O-N 3.43Å; W168-L171 HydrophobicContact CE3-CD1 4.22Å; W168-L171 PolarHBondContact O-N 2.95Å; W168-A172 PolarHBondContact O-N 2.85Å; W168-V182 HydrophobicContact CD2-CG1 4.33Å; W168-V182 VanDerWaalsContact CE2-CG1 3.49Å; W168-V182 HydrophobicContact CZ2-CG1 3.68Å; W168-A183 WeakPolarHBondContact CZ2-O 2.98Å; W168-A183 PolarHBondContact NE1-O 3.27Å; W168-A183 VanDerWaalsContact NE1-O 3.09Å; W168-V205 HydrophobicContact CH2-CG1 4.04Å; W168-V205 HydrophobicContact CH2-CG2 4.33Å; W168-V205 HydrophobicContact CZ3-CG1 4.06Å; W168-V205 HydrophobicContact CZ3-CG2 3.86Å
169S93.9Very high90.9Very high16 Ų1648.8 Ų48.811%0.11226%0.258CS..Hα-helixtrans-64.3-43176.4-58.10000111.4S125 R165 P166 L171 A172 D173S125-S169 PolarHBondContact N-OG 2.87Å; S125-S169 PolarHBondContact OG-O 3.39Å; R165-S169 PolarHBondContact O-N 3.03Å; R165-S169 PolarHBondContact O-OG 2.79Å; P166-S169 PolarHBondContact O-N 3.11Å; S169-L171 PolarHBondContact O-N 2.89Å; S169-A172 WeakPolarHBondContact O-CB 3.23Å; S169-A172 PolarHBondContact O-N 2.85Å; S169-D173 VanDerWaalsContact O-CG 3.31Å; S169-D173 PolarHBondContact O-N 3.41Å; S169-D173 VanDerWaalsContact O-N 3.09Å
170Q94.8Very high91.4Very high97 Ų9741.9 Ų41.945%0.45323%0.228SC..Hα-helixtrans-60.1-45.6173.5-175.4-172.5-10.200111.7P166 I167 A172 D173 E174P166-Q170 PolarHBondContact O-N 2.67Å; I167-Q170 PolarHBondContact O-N 3.28Å; Q170-A172 VanDerWaalsContact C-N 3.31Å; Q170-A172 PolarHBondContact O-N 3.36Å; Q170-D173 PolarHBondContact O-N 2.78Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.34Å; Q170-E174 PolarHBondContact NE2-OE1 3.48Å; Q170-E174 WeakPolarHBondContact O-CG 3.18Å; Q170-E174 PolarHBondContact O-N 3.04Å; Q170-E174 VanDerWaalsContact O-N 3.12Å
171L95.7Very high91.7Very high0 Ų039.4 Ų39.40%021%0.211CC..Hα-helixtrans-61.5-38.8176.4-76.2169.7000112F150 I167 W168 S169 D173 E174 L175 H223 L226 I227F150-L171 HydrophobicContact CE1-CD1 4.38Å; I167-L171 HydrophobicContact CG2-CD1 4.23Å; I167-L171 WeakPolarHBondContact O-CG 3.49Å; I167-L171 PolarHBondContact O-N 2.86Å; W168-L171 HydrophobicContact CE3-CD1 4.22Å; W168-L171 PolarHBondContact O-N 2.95Å; S169-L171 PolarHBondContact O-N 2.89Å; L171-D173 VanDerWaalsContact C-N 3.34Å; L171-D173 PolarHBondContact O-N 3.45Å; L171-E174 PolarHBondContact O-N 2.96Å; L171-L175 HydrophobicContact CB-CD1 4.24Å; L171-L175 HydrophobicContact CD2-CD1 4.25Å; L171-L175 WeakPolarHBondContact O-CB 3.33Å; L171-L175 WeakPolarHBondContact O-CG 3.45Å; L171-L175 PolarHBondContact O-N 3.09Å; L171-H223 VanDerWaalsContact CD2-CE1 3.48Å; L171-H223 WeakPolarHBondContact CD2-CE1 3.3Å; L171-H223 WeakPolarHBondContact CD2-ND1 3.11Å; L171-L226 HydrophobicContact CD1-CB 4.04Å; L171-L226 HydrophobicContact CD1-CD1 3.55Å; L171-L226 HydrophobicContact CD1-CG 4.45Å; L171-I227 HydrophobicContact CD2-CD1 4.09Å; L171-I227 HydrophobicContact CD2-CG1 3.86Å
172A95.3Very high92.1Very high0 Ų039.5 Ų39.50%021%0.212CC..Hα-helixtrans-61.8-43.4176.400000111.8N127 V128 W168 S169 Q170 E174 T176 V182N127-A172 HydrophobicContact CB-CB 3.96Å; V128-A172 HydrophobicContact CB-CB 4.49Å; V128-A172 HydrophobicContact CG2-CB 3.46Å; V128-A172 VanDerWaalsContact CG2-CB 3.46Å; W168-A172 PolarHBondContact O-N 2.85Å; S169-A172 WeakPolarHBondContact O-CB 3.23Å; S169-A172 PolarHBondContact O-N 2.85Å; Q170-A172 VanDerWaalsContact C-N 3.31Å; Q170-A172 PolarHBondContact O-N 3.36Å; A172-E174 VanDerWaalsContact C-N 3.29Å; A172-E174 PolarHBondContact O-N 3.15Å; A172-T176 WeakPolarHBondContact O-CB 3.4Å; A172-T176 PolarHBondContact O-N 3.41Å; A172-T176 PolarHBondContact O-OG1 2.64Å; A172-V182 HydrophobicContact CB-CB 3.9Å; A172-V182 HydrophobicContact CB-CG1 3.79Å; A172-V182 HydrophobicContact CB-CG2 4.45Å
173D94.3Very high92.6Very high76 Ų7636.2 Ų36.241%0.40620%0.199SC..Hα-helixtrans-66-32.6179.4-61.7-18.8000112.3S125 N127 S169 Q170 L171 P177S125-D173 WeakPolarHBondContact CB-OD1 3.49Å; S125-D173 PolarHBondContact OG-OD1 2.64Å; N127-D173 PolarHBondContact ND2-OD1 3.1Å; S169-D173 VanDerWaalsContact O-CG 3.31Å; S169-D173 PolarHBondContact O-N 3.41Å; S169-D173 VanDerWaalsContact O-N 3.09Å; Q170-D173 PolarHBondContact O-N 2.78Å; L171-D173 VanDerWaalsContact C-N 3.34Å; L171-D173 PolarHBondContact O-N 3.45Å; D173-P177 WeakPolarHBondContact O-CD 3.44Å; D173-P177 WeakPolarHBondContact O-CG 3.37Å
174E93.1Very high93Very high79 Ų7930.8 Ų30.837%0.36917%0.174SC..Hα-helixtrans-83.4-38.1178.7-68.7178.8-15700114Q170 L171 A172 P177 H223Q170-E174 WeakPolarHBondContact CG-OE1 3.34Å; Q170-E174 PolarHBondContact NE2-OE1 3.48Å; Q170-E174 WeakPolarHBondContact O-CG 3.18Å; Q170-E174 PolarHBondContact O-N 3.04Å; Q170-E174 VanDerWaalsContact O-N 3.12Å; L171-E174 PolarHBondContact O-N 2.96Å; A172-E174 VanDerWaalsContact C-N 3.29Å; A172-E174 PolarHBondContact O-N 3.15Å; E174-P177 WeakPolarHBondContact O-CD 3.3Å; E174-P177 WeakPolarHBondContact O-CG 3.43Å; E174-H223 IonicContact OE1-CE1 2.8Å; E174-H223 IonicContact OE2-CE1 3.56Å; E174-H223 PolarHBondContact OE2-CE1 2.95Å; E174-H223 IonicContact OE2-NE2 3.32Å; E174-H223 PolarHBondContact OE2-NE2 2.83Å
175L94.7Very high93.2Very high3 Ų330.5 Ų30.52%0.01617%0.173CC..Hα-helixtrans-90-29.9-171.9-61.8178.7000113.3F150 L171 L178 G179 I180 V182 L230 L294F150-L175 HydrophobicContact CD1-CD1 3.91Å; F150-L175 HydrophobicContact CE1-CD1 4.16Å; L171-L175 HydrophobicContact CB-CD1 4.24Å; L171-L175 HydrophobicContact CD2-CD1 4.25Å; L171-L175 WeakPolarHBondContact O-CB 3.33Å; L171-L175 WeakPolarHBondContact O-CG 3.45Å; L171-L175 PolarHBondContact O-N 3.09Å; L175-L178 HydrophobicContact CD2-CD1 4.28Å; L175-L178 CarbonylContact O-C 3.6Å; L175-L178 WeakPolarHBondContact O-CB 2.98Å; L175-L178 PolarHBondContact O-N 3.12Å; L175-L178 VanDerWaalsContact O-N 3.13Å; L175-G179 PolarHBondContact O-N 3.23Å; L175-I180 HydrophobicContact CB-CB 4.12Å; L175-I180 HydrophobicContact CB-CD1 4.18Å; L175-I180 HydrophobicContact CB-CG2 4.48Å; L175-I180 HydrophobicContact CD2-CD1 3.84Å; L175-I180 HydrophobicContact CG-CD1 4.43Å; L175-I180 PolarHBondContact O-N 2.86Å; L175-I180 VanDerWaalsContact O-N 3.12Å; L175-V182 HydrophobicContact CB-CG2 3.88Å; L175-V182 HydrophobicContact CD1-CG2 4.1Å; L175-L230 HydrophobicContact CD1-CD1 4.05Å; L175-L294 HydrophobicContact CD2-CD2 3.62Å
176T92Very high93.2Very high48 Ų4830.3 Ų30.329%0.29417%0.173SC..THydrogen-bonded Turntrans-58-44.8176.4-56.20000113.3A172 L178 G179A172-T176 WeakPolarHBondContact O-CB 3.4Å; A172-T176 PolarHBondContact O-N 3.41Å; A172-T176 PolarHBondContact O-OG1 2.64Å; T176-L178 VanDerWaalsContact C-N 3.28Å; T176-L178 PolarHBondContact O-N 2.64Å; T176-G179 VanDerWaalsContact O-CA 3.22Å; T176-G179 WeakPolarHBondContact O-CA 3.39Å; T176-G179 PolarHBondContact O-N 3.06Å
177P89.1Confident93.2Very high95 Ų9527.1 Ų27.162%0.61715%0.153SC*.THydrogen-bonded Turntrans-70.6-23175.927.8-36000113.3D173 E174 G179D173-P177 WeakPolarHBondContact O-CD 3.44Å; D173-P177 WeakPolarHBondContact O-CG 3.37Å; E174-P177 WeakPolarHBondContact O-CD 3.3Å; E174-P177 WeakPolarHBondContact O-CG 3.43Å; P177-G179 PolarHBondContact O-N 3.44Å
178L86.9Confident93Very high41 Ų4129.7 Ų29.722%0.21516%0.164CC..THydrogen-bonded Turntrans-72.7-9.2167.8-62.4178.6000111.8L175 T176 R295 V298 R302 P356L175-L178 HydrophobicContact CD2-CD1 4.28Å; L175-L178 CarbonylContact O-C 3.6Å; L175-L178 WeakPolarHBondContact O-CB 2.98Å; L175-L178 PolarHBondContact O-N 3.12Å; L175-L178 VanDerWaalsContact O-N 3.13Å; T176-L178 VanDerWaalsContact C-N 3.28Å; T176-L178 PolarHBondContact O-N 2.64Å; L178-R295 HydrophobicContact CD2-CB 4.08Å; L178-V298 WeakPolarHBondContact O-CG1 3.16Å; L178-R302 PolarHBondContact O-NH2 3.31Å; L178-P356 HydrophobicContact CD2-CG 3.94Å
179G88Confident92.6Very high21 Ų2136.3 Ų36.322%0.21619%0.194CC..THydrogen-bonded Turntrans69.645.6-178.700000113.5V147 L175 T176 P177 R302V147-G179 WeakPolarHBondContact CG1-O 3.08Å; L175-G179 PolarHBondContact O-N 3.23Å; T176-G179 VanDerWaalsContact O-CA 3.22Å; T176-G179 WeakPolarHBondContact O-CA 3.39Å; T176-G179 PolarHBondContact O-N 3.06Å; P177-G179 PolarHBondContact O-N 3.44Å; G179-R302 PolarHBondContact O-NH2 3.46Å
180I94Very high92.4Very high3 Ų337 Ų372%0.01520%0.197CC..  trans-100.2136.6159.6-62.2162.7000106.1P148 F150 L175 V182 L230 L294 V298P148-I180 HydrophobicContact CG-CB 4.37Å; P148-I180 HydrophobicContact CG-CG1 3.85Å; P148-I180 HydrophobicContact CG-CG2 4.3Å; F150-I180 HydrophobicContact CB-CG2 4.34Å; L175-I180 HydrophobicContact CB-CB 4.12Å; L175-I180 HydrophobicContact CB-CD1 4.18Å; L175-I180 HydrophobicContact CB-CG2 4.48Å; L175-I180 HydrophobicContact CD2-CD1 3.84Å; L175-I180 HydrophobicContact CG-CD1 4.43Å; L175-I180 PolarHBondContact O-N 2.86Å; L175-I180 VanDerWaalsContact O-N 3.12Å; I180-V182 HydrophobicContact CG2-CG2 4.47Å; I180-L230 HydrophobicContact CD1-CD1 4.24Å; I180-L230 HydrophobicContact CD1-CD2 3.85Å; I180-L230 HydrophobicContact CG2-CD1 4.09Å; I180-L294 HydrophobicContact CD1-CD1 4.39Å; I180-L294 HydrophobicContact CD1-CD2 3.85Å; I180-L294 HydrophobicContact CD1-CG 4.22Å; I180-V298 HydrophobicContact CD1-CG2 3.77Å; I180-V298 HydrophobicContact CG1-CG2 3.81Å
181T94.3Very high92.1Very high14 Ų1436 Ų369%0.08620%0.2CC..EExtended strand (participates in β ladder)trans-85.1121.4175.7-56.40000109.2L129 V147 P148 L149 F150L129-T181 HydrophobicContact CD1-CG2 3.59Å; V147-T181 VanDerWaalsContact CG1-OG1 3.22Å; V147-T181 WeakPolarHBondContact CG1-OG1 3.14Å; P148-T181 PolarHBondContact O-N 2.87Å; L149-T181 CarbonylContact C-O 3.11Å; L149-T181 WeakPolarHBondContact CA-O 3.03Å; L149-T181 HydrophobicContact CD1-CG2 3.6Å; F150-T181 PolarHBondContact N-O 3.13Å
182V97.4Very high91.9Very high1 Ų137.9 Ų37.91%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-107128.7176.3-176.50000109.3L129 F150 W168 A172 L175 I180L129-V182 PolarHBondContact N-O 3.16Å; F150-V182 HydrophobicContact CB-CG2 4.44Å; F150-V182 CarbonylContact O-C 3.51Å; F150-V182 WeakPolarHBondContact O-CA 3Å; W168-V182 HydrophobicContact CD2-CG1 4.33Å; W168-V182 VanDerWaalsContact CE2-CG1 3.49Å; W168-V182 HydrophobicContact CZ2-CG1 3.68Å; A172-V182 HydrophobicContact CB-CB 3.9Å; A172-V182 HydrophobicContact CB-CG1 3.79Å; A172-V182 HydrophobicContact CB-CG2 4.45Å; L175-V182 HydrophobicContact CB-CG2 3.88Å; L175-V182 HydrophobicContact CD1-CG2 4.1Å; I180-V182 HydrophobicContact CG2-CG2 4.47Å
183A96.4Very high91.6Very high0 Ų037.9 Ų37.90%022%0.216CC..EExtended strand (participates in β ladder)trans-138158.1-171.900000112.7L129 I131 L149 F150 I151 Y152 W168L129-A183 HydrophobicContact CB-CB 4.34Å; L129-A183 CarbonylContact O-C 3.56Å; L129-A183 WeakPolarHBondContact O-CA 3.41Å; L129-A183 WeakPolarHBondContact O-CB 3.36Å; I131-A183 HydrophobicContact CD1-CB 3.2Å; I131-A183 HydrophobicContact CG1-CB 3.72Å; L149-A183 HydrophobicContact CD1-CB 4.15Å; F150-A183 PolarHBondContact O-N 3.35Å; I151-A183 WeakPolarHBondContact CA-O 3.37Å; Y152-A183 PolarHBondContact N-O 2.95Å; W168-A183 WeakPolarHBondContact CZ2-O 2.98Å; W168-A183 PolarHBondContact NE1-O 3.27Å; W168-A183 VanDerWaalsContact NE1-O 3.09Å
184S95.1Very high91.4Very high3 Ų338.2 Ų38.22%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-127.4146173.365.30000110.4L129 N130 I131 Y152L129-S184 PolarHBondContact O-N 3.31Å; N130-S184 WeakPolarHBondContact CA-O 3.44Å; N130-S184 PolarHBondContact OD1-O 2.93Å; I131-S184 PolarHBondContact N-O 3.04Å; I131-S184 VanDerWaalsContact N-O 3.13Å; Y152-S184 CarbonylContact O-C 3.49Å; Y152-S184 VanDerWaalsContact O-CA 3.28Å; Y152-S184 WeakPolarHBondContact O-CA 3.45Å
185V93.9Very high91.2Very high0 Ų042 Ų420%023%0.229CC..EExtended strand (participates in β ladder)trans-136.4135.2179.7172.30000108.8I131 I151 Y152 G153 Y154 L187 L193I131-V185 HydrophobicContact CB-CG2 4.12Å; I131-V185 WeakPolarHBondContact O-CG2 3.3Å; I151-V185 HydrophobicContact CG2-CB 4.36Å; I151-V185 HydrophobicContact CG2-CG2 3.72Å; Y152-V185 PolarHBondContact O-N 3.33Å; G153-V185 WeakPolarHBondContact CA-O 3.35Å; Y154-V185 WeakPolarHBondContact CD1-O 3.36Å; Y154-V185 PolarHBondContact N-O 3.44Å; V185-L187 HydrophobicContact CB-CD2 4.44Å; V185-L187 HydrophobicContact CG1-CD2 3.67Å; V185-L187 HydrophobicContact CG1-CG 4.29Å; V185-L187 PolarHBondContact O-N 2.06Å; V185-L193 HydrophobicContact CB-CD2 4.22Å; V185-L193 HydrophobicContact CG1-CD2 3.62Å; V185-L193 HydrophobicContact CG1-CG 4.2Å; V185-L193 HydrophobicContact CG2-CD2 3.5Å; V185-L193 VanDerWaalsContact CG2-CD2 3.5Å
186N91.8Very high90.9Very high20 Ų2045.4 Ų45.411%0.10725%0.245CC..EExtended strand (participates in β ladder)trans-87.1103.3169.2-167.3-33.9000109.6Y154 D156 E188 H189 D190Y154-N186 HydrophobicContact CE1-CB 4.41Å; Y154-N186 HydrophobicContact CE2-CB 4.12Å; Y154-N186 CarbonylContact O-C 3.57Å; Y154-N186 WeakPolarHBondContact O-CA 3.49Å; D156-N186 VanDerWaalsContact CG-ND2 3.34Å; D156-N186 PolarHBondContact OD1-ND2 2.93Å; D156-N186 PolarHBondContact OD2-ND2 3.33Å; N186-E188 PolarHBondContact O-N 3.26Å; N186-E188 WeakPolarHBondContact OD1-CB 3.39Å; N186-E188 PolarHBondContact OD1-N 3.15Å; N186-H189 PolarHBondContact ND2-CE1 3.22Å; N186-H189 PolarHBondContact ND2-ND1 3.4Å; N186-H189 PolarHBondContact O-N 3.16Å; N186-H189 PolarHBondContact OD1-ND1 2.96Å; N186-H189 VanDerWaalsContact OD1-ND1 3.11Å; N186-D190 PolarHBondContact O-N 3.08Å; N186-D190 VanDerWaalsContact O-N 3.1Å
187L89.8Confident90.8Very high3 Ų343.4 Ų43.42%0.01623%0.232CC..THydrogen-bonded Turntrans-79-5.8-174.4-64.4177.8000113.7Y154 V185 R194 V199 V202Y154-L187 PolarHBondContact O-N 3.09Å; V185-L187 HydrophobicContact CB-CD2 4.44Å; V185-L187 HydrophobicContact CG1-CD2 3.67Å; V185-L187 HydrophobicContact CG1-CG 4.29Å; V185-L187 PolarHBondContact O-N 2.06Å; L187-R194 HydrophobicContact CB-CB 4.41Å; L187-R194 HydrophobicContact CB-CG 4.41Å; L187-R194 HydrophobicContact CD2-CB 3.8Å; L187-R194 HydrophobicContact CD2-CG 4.24Å; L187-V199 HydrophobicContact CD1-CB 4Å; L187-V199 HydrophobicContact CD1-CG1 3.5Å; L187-V199 VanDerWaalsContact CD1-CG1 3.5Å; L187-V199 HydrophobicContact CD1-CG2 4.43Å; L187-V202 HydrophobicContact CB-CG2 4.06Å; L187-V202 HydrophobicContact CD1-CG2 3.76Å; L187-V202 HydrophobicContact CG-CG2 4.45Å
188E86.4Confident90.7Very high104 Ų10449 Ų4949%0.48624%0.241SC..THydrogen-bonded Turntrans-78.9-41.4170.4-173.2173.2-17900110.6N186N186-E188 PolarHBondContact O-N 3.26Å; N186-E188 WeakPolarHBondContact OD1-CB 3.39Å; N186-E188 PolarHBondContact OD1-N 3.15Å
189H88.2Confident90.7Very high139 Ų13947.4 Ų47.464%0.64423%0.233SC*.THydrogen-bonded Turntrans-85.1-30.3-178.5-65.380.8000113.4D156 N186D156-H189 IonicContact OD2-CE1 2.66Å; D156-H189 PolarHBondContact OD2-CE1 2.8Å; D156-H189 VanDerWaalsContact OD2-CE1 3.24Å; D156-H189 IonicContact OD2-ND1 3.18Å; N186-H189 PolarHBondContact ND2-CE1 3.22Å; N186-H189 PolarHBondContact ND2-ND1 3.4Å; N186-H189 PolarHBondContact O-N 3.16Å; N186-H189 PolarHBondContact OD1-ND1 2.96Å; N186-H189 VanDerWaalsContact OD1-ND1 3.11Å
190D90.1Very high90.4Very high30 Ų3052.3 Ų52.316%0.1625%0.254CS..  trans-113.579.8-177.9-163.9-22.7000111.3D132 F133 N186 A192 L193 R194D132-D190 WeakPolarHBondContact CA-OD2 3.49Å; F133-D190 PolarHBondContact N-OD2 2.78Å; N186-D190 PolarHBondContact O-N 3.08Å; N186-D190 VanDerWaalsContact O-N 3.1Å; D190-A192 VanDerWaalsContact C-N 3.3Å; D190-A192 PolarHBondContact O-N 3.33Å; D190-A192 PolarHBondContact OD1-N 2.75Å; D190-L193 HydrophobicContact CB-CB 4.24Å; D190-L193 VanDerWaalsContact CG-CB 3.44Å; D190-L193 WeakPolarHBondContact OD1-CB 3.38Å; D190-L193 PolarHBondContact OD1-N 3.41Å; D190-R194 PolarHBondContact O-N 3.39Å; D190-R194 VanDerWaalsContact O-N 3.15Å
191S87.5Confident90Very high76 Ų7656.5 Ų56.553%0.53127%0.273SS..Hα-helixtrans-64.2-33.8177.759.70000112.4R194 E195S191-R194 WeakPolarHBondContact O-CB 3.4Å; S191-R194 PolarHBondContact O-N 3.47Å; S191-E195 PolarHBondContact O-N 2.95Å
192A90.9Very high89.7Confident39 Ų3957.7 Ų57.732%0.32228%0.28SS..Hα-helixtrans-64.9-45.8178.500000112F133 D190 R194 E195 E196F133-A192 HydrophobicContact CB-CB 4.2Å; F133-A192 HydrophobicContact CD1-CB 4.2Å; F133-A192 HydrophobicContact CD2-CB 3.94Å; F133-A192 HydrophobicContact CE2-CB 4.35Å; F133-A192 HydrophobicContact CG-CB 3.85Å; D190-A192 VanDerWaalsContact C-N 3.3Å; D190-A192 PolarHBondContact O-N 3.33Å; D190-A192 PolarHBondContact OD1-N 2.75Å; A192-R194 VanDerWaalsContact C-N 3.34Å; A192-E195 PolarHBondContact O-N 3.18Å; A192-E196 PolarHBondContact O-N 3.34Å
193L90.7Very high89.5Confident0 Ų058.2 Ų58.20%028%0.283CS..Hα-helixtrans-68.3-35176.2-173.352.2000112I131 F133 Y136 V185 D190 E195 E196 L197I131-L193 HydrophobicContact CG2-CD2 4.28Å; F133-L193 HydrophobicContact CB-CB 4.05Å; F133-L193 HydrophobicContact CD2-CB 4.28Å; F133-L193 HydrophobicContact CD2-CD1 4.46Å; Y136-L193 HydrophobicContact CD1-CD1 3.47Å; Y136-L193 VanDerWaalsContact CD1-CD1 3.47Å; Y136-L193 HydrophobicContact CD2-CD1 4.18Å; Y136-L193 HydrophobicContact CE1-CD1 4.1Å; Y136-L193 HydrophobicContact CG-CD1 3.51Å; V185-L193 HydrophobicContact CB-CD2 4.22Å; V185-L193 HydrophobicContact CG1-CD2 3.62Å; V185-L193 HydrophobicContact CG1-CG 4.2Å; V185-L193 HydrophobicContact CG2-CD2 3.5Å; V185-L193 VanDerWaalsContact CG2-CD2 3.5Å; D190-L193 HydrophobicContact CB-CB 4.24Å; D190-L193 VanDerWaalsContact CG-CB 3.44Å; D190-L193 WeakPolarHBondContact OD1-CB 3.38Å; D190-L193 PolarHBondContact OD1-N 3.41Å; L193-E195 VanDerWaalsContact C-N 3.33Å; L193-E195 PolarHBondContact O-N 2.88Å; L193-E196 PolarHBondContact O-N 3.11Å; L193-L197 HydrophobicContact CD1-CD1 3.93Å; L193-L197 HydrophobicContact CD1-CG 3.92Å; L193-L197 HydrophobicContact CG-CD1 3.94Å; L193-L197 HydrophobicContact CG-CG 4.36Å; L193-L197 WeakPolarHBondContact O-CB 3.4Å; L193-L197 WeakPolarHBondContact O-CG 3.33Å; L193-L197 PolarHBondContact O-N 3.18Å
194R89.2Confident89.3Confident84 Ų8458.2 Ų58.232%0.31728%0.284SS..Hα-helixtrans-59.1-43.6172.6-175.9-176.9179.1165.9-2.3112.2L187 D190 S191 A192 R198 V199 L200L187-R194 HydrophobicContact CB-CB 4.41Å; L187-R194 HydrophobicContact CB-CG 4.41Å; L187-R194 HydrophobicContact CD2-CB 3.8Å; L187-R194 HydrophobicContact CD2-CG 4.24Å; D190-R194 PolarHBondContact O-N 3.39Å; D190-R194 VanDerWaalsContact O-N 3.15Å; S191-R194 WeakPolarHBondContact O-CB 3.4Å; S191-R194 PolarHBondContact O-N 3.47Å; A192-R194 VanDerWaalsContact C-N 3.34Å; R194-R198 PolarHBondContact O-N 2.71Å; R194-R198 VanDerWaalsContact O-N 3.08Å; R194-V199 HydrophobicContact CG-CB 4.26Å; R194-V199 VanDerWaalsContact CG-O 3.24Å; R194-V199 WeakPolarHBondContact CG-O 3.42Å; R194-V199 PolarHBondContact NE-O 3.43Å; R194-V199 PolarHBondContact O-N 3.47Å; R194-L200 PolarHBondContact NH2-O 3.27Å
195E88.3Confident89.3Confident157 Ų15758.1 Ų58.173%0.73428%0.283SS*.Hα-helixtrans-67.6-45.5178.3-171.5175.4-176.200111.9S191 A192 L193 L197 R198S191-E195 PolarHBondContact O-N 2.95Å; A192-E195 PolarHBondContact O-N 3.18Å; L193-E195 VanDerWaalsContact C-N 3.33Å; L193-E195 PolarHBondContact O-N 2.88Å; E195-L197 PolarHBondContact O-N 3.4Å; E195-R198 WeakPolarHBondContact O-CA 3.5Å; E195-R198 PolarHBondContact O-N 3.11Å
196E88.1Confident89.3Confident75 Ų7558.1 Ų58.135%0.3528%0.283SS..Hα-helixtrans-61.9-40.8178.5-175.978.3-171.800112F133 Y136 R137 A192 L193 R198F133-E196 HydrophobicContact CD2-CB 4.47Å; F133-E196 HydrophobicContact CE2-CB 4.02Å; F133-E196 HydrophobicContact CE2-CG 4.25Å; Y136-E196 HydrophobicContact CD1-CG 4.3Å; Y136-E196 HydrophobicContact CE1-CG 3.69Å; R137-E196 IonicContact NH1-OE1 3.25Å; R137-E196 IonicContact NH1-OE2 2.71Å; A192-E196 PolarHBondContact O-N 3.34Å; L193-E196 PolarHBondContact O-N 3.11Å; E196-R198 PolarHBondContact O-N 2.87Å
197L90.3Very high89.5Confident6 Ų657.4 Ų57.43%0.03128%0.279CS..THydrogen-bonded Turntrans-78.4-6.6174.8-64.9175.6000113.3Y136 I151 L193 E195 V199 V208 V213Y136-L197 HydrophobicContact CE1-CD2 4.44Å; Y136-L197 HydrophobicContact CE2-CD2 4Å; I151-L197 HydrophobicContact CD1-CD1 3.98Å; I151-L197 HydrophobicContact CD1-CD2 3.87Å; I151-L197 HydrophobicContact CG2-CD1 4.19Å; L193-L197 HydrophobicContact CD1-CD1 3.93Å; L193-L197 HydrophobicContact CD1-CG 3.92Å; L193-L197 HydrophobicContact CG-CD1 3.94Å; L193-L197 HydrophobicContact CG-CG 4.36Å; L193-L197 WeakPolarHBondContact O-CB 3.4Å; L193-L197 WeakPolarHBondContact O-CG 3.33Å; L193-L197 PolarHBondContact O-N 3.18Å; E195-L197 PolarHBondContact O-N 3.4Å; L197-V199 VanDerWaalsContact C-N 3.27Å; L197-V199 HydrophobicContact CB-CG2 3.75Å; L197-V199 PolarHBondContact O-N 2.87Å; L197-V208 HydrophobicContact CD2-CG2 4.36Å; L197-V213 HydrophobicContact CD2-CG1 4.19Å; L197-V213 HydrophobicContact CD2-CG2 4.33Å
198R87.7Confident89.6Confident214 Ų21457.2 Ų57.281%0.80828%0.278SS*.THydrogen-bonded Turntrans53.940.9-176.6-56.2179.9-179.2-176.8-2113R194 E195 E196R194-R198 PolarHBondContact O-N 2.71Å; R194-R198 VanDerWaalsContact O-N 3.08Å; E195-R198 WeakPolarHBondContact O-CA 3.5Å; E195-R198 PolarHBondContact O-N 3.11Å; E196-R198 PolarHBondContact O-N 2.87Å
199V87.1Confident89.8Confident6 Ų652.6 Ų52.64%0.03626%0.257CS..  trans-88.7119.3-177.6177.30000111.1L187 R194 L197 H201 S204 T206L187-V199 HydrophobicContact CD1-CB 4Å; L187-V199 HydrophobicContact CD1-CG1 3.5Å; L187-V199 VanDerWaalsContact CD1-CG1 3.5Å; L187-V199 HydrophobicContact CD1-CG2 4.43Å; R194-V199 HydrophobicContact CG-CB 4.26Å; R194-V199 VanDerWaalsContact CG-O 3.24Å; R194-V199 WeakPolarHBondContact CG-O 3.42Å; R194-V199 PolarHBondContact NE-O 3.43Å; R194-V199 PolarHBondContact O-N 3.47Å; L197-V199 VanDerWaalsContact C-N 3.27Å; L197-V199 HydrophobicContact CB-CG2 3.75Å; L197-V199 PolarHBondContact O-N 2.87Å; V199-H201 WeakPolarHBondContact CG1-O 3.42Å; V199-S204 VanDerWaalsContact CG1-CB 3.45Å; V199-S204 VanDerWaalsContact CG1-OG 3.27Å; V199-S204 WeakPolarHBondContact CG1-OG 3.38Å; V199-T206 HydrophobicContact CG2-CG2 3.77Å
200L80.6Confident89.4Confident125 Ų12546.9 Ų46.965%0.65423%0.231SC*.  trans-89-30.8-177.8-63175.8000113.9R194R194-L200 PolarHBondContact NH2-O 3.27Å
201H85.3Confident89.2Confident91 Ų9147.1 Ų47.142%0.42124%0.24SC..SBendtrans-141.5169.6-173.662.7-93.5000112.3V199 S204 Y215V199-H201 WeakPolarHBondContact CG1-O 3.42Å; H201-S204 WeakPolarHBondContact O-CB 3.31Å; H201-Y215 AromaticContact CE1-CZ 3.79Å; H201-Y215 PolarHBondContact CE1-OH 3.39Å; H201-Y215 PolarHBondContact NE2-OH 2.9Å
202V89.1Confident89.1Confident38 Ų3848.2 Ų48.223%0.2324%0.237CC..SBendtrans-133.4137.9-175.9161.80000107.7C158 C161 L187C158-V202 HydrophobicContact CB-CG1 4.15Å; C161-V202 WeakPolarHBondContact SG-CG1 3.4Å; L187-V202 HydrophobicContact CB-CG2 4.06Å; L187-V202 HydrophobicContact CD1-CG2 3.76Å; L187-V202 HydrophobicContact CG-CG2 4.45Å
203P92.5Very high89Confident12 Ų1249.1 Ų49.18%0.07824%0.239CC..SBendcis-68146.1-427.7-32.4000112.1Y152 G153 P160 F221Y152-P203 HydrophobicContact CE2-CB 3.71Å; G153-P203 WeakPolarHBondContact O-CA 3.31Å; P160-P203 HydrophobicContact CB-CG 4.07Å; P203-F221 HydrophobicContact CB-CE2 4.31Å; P203-F221 HydrophobicContact CB-CZ 4.1Å; P203-F221 HydrophobicContact CG-CD2 4.38Å; P203-F221 HydrophobicContact CG-CE2 3.61Å; P203-F221 HydrophobicContact CG-CZ 3.83Å
204S92.6Very high89Confident1 Ų151.6 Ų51.61%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-132.1148175.261.20000110.8G153 V199 H201G153-S204 WeakPolarHBondContact CA-OG 3.38Å; G153-S204 PolarHBondContact N-O 3.05Å; G153-S204 PolarHBondContact O-N 3.32Å; V199-S204 VanDerWaalsContact CG1-CB 3.45Å; V199-S204 VanDerWaalsContact CG1-OG 3.27Å; V199-S204 WeakPolarHBondContact CG1-OG 3.38Å; H201-S204 WeakPolarHBondContact O-CB 3.31Å
205V95.3Very high89.1Confident0 Ų051.6 Ų51.60%025%0.254CS..EExtended strand (participates in β ladder)trans-122.9126.9171.3171.50000109F150 I151 Y152 W168 Y216 F221 L226F150-V205 HydrophobicContact CD2-CG1 3.86Å; F150-V205 HydrophobicContact CE2-CG1 3.12Å; F150-V205 HydrophobicContact CZ-CG1 3.76Å; I151-V205 WeakPolarHBondContact O-CA 3.32Å; Y152-V205 HydrophobicContact CD2-CG2 4.09Å; W168-V205 HydrophobicContact CH2-CG1 4.04Å; W168-V205 HydrophobicContact CH2-CG2 4.33Å; W168-V205 HydrophobicContact CZ3-CG1 4.06Å; W168-V205 HydrophobicContact CZ3-CG2 3.86Å; V205-Y216 HydrophobicContact CB-CD1 4.42Å; V205-Y216 HydrophobicContact CB-CG 4.35Å; V205-Y216 VanDerWaalsContact O-CB 3.23Å; V205-Y216 WeakPolarHBondContact O-CB 3.35Å; V205-Y216 PolarHBondContact O-N 3.38Å; V205-F221 HydrophobicContact CB-CE1 4.46Å; V205-F221 HydrophobicContact CG2-CD1 4Å; V205-F221 HydrophobicContact CG2-CE1 3.78Å; V205-L226 HydrophobicContact CB-CD2 4.4Å; V205-L226 HydrophobicContact CG1-CD2 4.11Å; V205-L226 HydrophobicContact CG2-CD2 4.16Å
206T94.9Very high89.3Confident1 Ų144.6 Ų44.61%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-122.8138.6176530000110.1I151 V199 V213 T214 Y215I151-T206 WeakPolarHBondContact CB-OG1 3.3Å; I151-T206 PolarHBondContact N-O 2.79Å; I151-T206 PolarHBondContact O-N 3.4Å; V199-T206 HydrophobicContact CG2-CG2 3.77Å; T206-V213 HydrophobicContact CG2-CG1 4.37Å; T206-T214 WeakPolarHBondContact CA-O 3.48Å; T206-Y215 HydrophobicContact CG2-CD2 3.9Å
207I94.9Very high89.1Confident4 Ų446.1 Ų46.12%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-115.9121.9179-57150.5000107F150 V209 T214 A229 L230 A233F150-I207 HydrophobicContact CD2-CB 4.38Å; F150-I207 HydrophobicContact CD2-CD1 4.47Å; F150-I207 HydrophobicContact CD2-CG1 3.41Å; F150-I207 VanDerWaalsContact CD2-CG1 3.41Å; F150-I207 HydrophobicContact CE2-CD1 3.97Å; F150-I207 HydrophobicContact CE2-CG1 3.34Å; F150-I207 HydrophobicContact CZ-CG1 4.5Å; I207-V209 HydrophobicContact CG2-CG2 3.84Å; I207-T214 WeakPolarHBondContact CB-OG1 3.3Å; I207-T214 PolarHBondContact N-O 2.91Å; I207-T214 PolarHBondContact O-N 2.85Å; I207-T214 PolarHBondContact O-OG1 2.93Å; I207-A229 HydrophobicContact CD1-CB 4.23Å; I207-L230 HydrophobicContact CD1-CB 4.35Å; I207-A233 HydrophobicContact CB-CB 4.33Å; I207-A233 HydrophobicContact CD1-CB 4.12Å; I207-A233 HydrophobicContact CG2-CB 3.85Å
208V92.7Very high88.7Confident0 Ų052.3 Ų52.30%026%0.263CS..EExtended strand (participates in β ladder)trans-109.9114.3178.8-172.60000109.1Y136 L149 I151 L197 Q212 V213Y136-V208 HydrophobicContact CE2-CG2 4.25Å; L149-V208 HydrophobicContact CB-CB 4.19Å; L149-V208 HydrophobicContact CD2-CB 4.35Å; L149-V208 HydrophobicContact CD2-CG2 4.46Å; L149-V208 PolarHBondContact N-O 3.1Å; L149-V208 PolarHBondContact O-N 3.48Å; I151-V208 HydrophobicContact CD1-CG2 4.03Å; L197-V208 HydrophobicContact CD2-CG2 4.36Å; V208-Q212 VanDerWaalsContact CA-O 3.31Å; V208-Q212 WeakPolarHBondContact CA-O 3.43Å; V208-V213 HydrophobicContact CG2-CG1 4.43Å; V208-V213 HydrophobicContact CG2-CG2 4.1Å
209V89.5Confident88.3Confident6 Ų645.7 Ų45.74%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-127.6125.2177.4-171.40000107.7P148 I207 G211 Q212 I234 F301P148-V209 HydrophobicContact CB-CG2 4Å; I207-V209 HydrophobicContact CG2-CG2 3.84Å; V209-G211 VanDerWaalsContact C-N 3.25Å; V209-G211 PolarHBondContact O-N 3.31Å; V209-Q212 PolarHBondContact N-O 3.34Å; V209-Q212 VanDerWaalsContact N-O 3.08Å; V209-Q212 WeakPolarHBondContact O-CB 3.39Å; V209-Q212 PolarHBondContact O-N 3.03Å; V209-I234 HydrophobicContact CG2-CG1 4.11Å; V209-F301 HydrophobicContact CG1-CD2 4.14Å; V209-F301 HydrophobicContact CG1-CE1 4.14Å; V209-F301 HydrophobicContact CG1-CE2 3.43Å; V209-F301 VanDerWaalsContact CG1-CE2 3.43Å; V209-F301 HydrophobicContact CG1-CZ 3.43Å; V209-F301 VanDerWaalsContact CG1-CZ 3.43Å
210D80.8Confident88.2Confident19 Ų1949.1 Ų49.110%0.10228%0.279CS..THydrogen-bonded Turntrans52.842.5-179.9-162.811.8000113.4S144 Q212 H241 F301S144-D210 PolarHBondContact O-N 3.08Å; D210-Q212 PolarHBondContact O-N 3.08Å; D210-Q212 VanDerWaalsContact O-N 3.08Å; D210-H241 WeakPolarHBondContact OD2-CB 3.39Å; D210-F301 HydrophobicContact CB-CE2 4.49Å; D210-F301 HydrophobicContact CB-CZ 4.33Å
211G84.5Confident88.6Confident35 Ų3545.2 Ų45.236%0.36126%0.257SS..THydrogen-bonded Turntrans69.4-2.8-176.600000115.5S144 V209S144-G211 WeakPolarHBondContact OG-CA 3.46Å; S144-G211 PolarHBondContact OG-N 3.02Å; V209-G211 VanDerWaalsContact C-N 3.25Å; V209-G211 PolarHBondContact O-N 3.31Å
212Q86.6Confident88.8Confident100 Ų10043.1 Ų43.147%0.46725%0.253SS..EExtended strand (participates in β ladder)trans-87.8125.2176-64.3-170-9.100110.7V208 V209 D210V208-Q212 VanDerWaalsContact CA-O 3.31Å; V208-Q212 WeakPolarHBondContact CA-O 3.43Å; V209-Q212 PolarHBondContact N-O 3.34Å; V209-Q212 VanDerWaalsContact N-O 3.08Å; V209-Q212 WeakPolarHBondContact O-CB 3.39Å; V209-Q212 PolarHBondContact O-N 3.03Å; D210-Q212 PolarHBondContact O-N 3.08Å; D210-Q212 VanDerWaalsContact O-N 3.08Å
213V89.6Confident89Confident58 Ų5843.2 Ų43.235%0.35225%0.251SS..EExtended strand (participates in β ladder)trans-88.1121.1176.6-172.80000109.1L197 T206 V208L197-V213 HydrophobicContact CD2-CG1 4.19Å; L197-V213 HydrophobicContact CD2-CG2 4.33Å; T206-V213 HydrophobicContact CG2-CG1 4.37Å; V208-V213 HydrophobicContact CG2-CG1 4.43Å; V208-V213 HydrophobicContact CG2-CG2 4.1Å
214T90.3Very high89Confident51 Ų5148.2 Ų48.231%0.31328%0.277SS..EExtended strand (participates in β ladder)trans-114.4127.3173.555.70000109.8T206 I207T206-T214 WeakPolarHBondContact CA-O 3.48Å; I207-T214 WeakPolarHBondContact CB-OG1 3.3Å; I207-T214 PolarHBondContact N-O 2.91Å; I207-T214 PolarHBondContact O-N 2.85Å; I207-T214 PolarHBondContact O-OG1 2.93Å
215Y91.5Very high89Confident85 Ų8548.4 Ų48.433%0.33328%0.278SS..EExtended strand (participates in β ladder)trans-91.8133.1-176.1-176.8-96.7000111.1H201 T206 S217H201-Y215 AromaticContact CE1-CZ 3.79Å; H201-Y215 PolarHBondContact CE1-OH 3.39Å; H201-Y215 PolarHBondContact NE2-OH 2.9Å; T206-Y215 HydrophobicContact CG2-CD2 3.9Å; Y215-S217 PolarHBondContact O-N 2.91Å
216Y91.2Very high89Confident10 Ų1048.4 Ų48.44%0.03928%0.278CS..  trans-78.6103.2172.9-177.2-104.1000110.1V205 R218 D220 F221 S225 L226 A229V205-Y216 HydrophobicContact CB-CD1 4.42Å; V205-Y216 HydrophobicContact CB-CG 4.35Å; V205-Y216 VanDerWaalsContact O-CB 3.23Å; V205-Y216 WeakPolarHBondContact O-CB 3.35Å; V205-Y216 PolarHBondContact O-N 3.38Å; Y216-R218 WeakPolarHBondContact CD1-O 3.42Å; Y216-R218 HydrophobicContact CE1-CB 3.87Å; Y216-R218 WeakPolarHBondContact CE1-O 3.48Å; Y216-R218 HydrophobicContact CE2-CB 4.2Å; Y216-R218 HydrophobicContact CE2-CG 4.38Å; Y216-D220 PolarHBondContact OH-O 2.81Å; Y216-F221 HydrophobicContact CD1-CE1 4.16Å; Y216-F221 HydrophobicContact CE1-CD1 4.33Å; Y216-F221 HydrophobicContact CE1-CE1 4.33Å; Y216-S225 VanDerWaalsContact OH-CB 3.3Å; Y216-S225 WeakPolarHBondContact OH-CB 3.14Å; Y216-S225 PolarHBondContact OH-OG 3.49Å; Y216-L226 HydrophobicContact CD1-CD2 4.24Å; Y216-L226 HydrophobicContact CD2-CD2 4.34Å; Y216-L226 HydrophobicContact CE1-CD2 4.06Å; Y216-L226 HydrophobicContact CE2-CD2 4.19Å; Y216-L226 HydrophobicContact CG-CD2 4.35Å; Y216-A229 HydrophobicContact CD2-CB 3.47Å; Y216-A229 VanDerWaalsContact CD2-CB 3.47Å; Y216-A229 HydrophobicContact CE2-CB 3.6Å
217S84.7Confident88.9Confident106 Ų10650 Ų5074%0.74129%0.287SS*.  trans-88-6.3-172.258.20000115.7Y215Y215-S217 PolarHBondContact O-N 2.91Å
218R82.4Confident88.8Confident136 Ų13652.5 Ų52.551%0.51330%0.3SS..  trans-83.3147.6180-57-180173.7179.7-4.5110.2Y216 D220 S225Y216-R218 WeakPolarHBondContact CD1-O 3.42Å; Y216-R218 HydrophobicContact CE1-CB 3.87Å; Y216-R218 WeakPolarHBondContact CE1-O 3.48Å; Y216-R218 HydrophobicContact CE2-CB 4.2Å; Y216-R218 HydrophobicContact CE2-CG 4.38Å; R218-D220 WeakPolarHBondContact CB-OD1 3.42Å; R218-S225 WeakPolarHBondContact CD-OG 3.12Å; R218-S225 PolarHBondContact NH1-OG 2.99Å
219G77.7Confident88.8Confident75 Ų7553.6 Ų53.677%0.77331%0.309SS*.SBendtrans-82-11.1-179.900000114.6
220D85.5Confident89Confident78 Ų7853.4 Ų53.442%0.41731%0.307SS..  trans-96.9112.4-176.866.1-58.2000112.3Y216 R218 S222Y216-D220 PolarHBondContact OH-O 2.81Å; R218-D220 WeakPolarHBondContact CB-OD1 3.42Å; D220-S222 PolarHBondContact O-N 3.47Å; D220-S222 PolarHBondContact OD2-OG 3.38Å
221F88.4Confident89.6Confident43 Ų4354.7 Ų54.719%0.18931%0.311CS..  trans-85.155.5176.7-62-80.1000112.1V164 I167 P203 V205 Y216 L226V164-F221 HydrophobicContact CG1-CB 4.16Å; V164-F221 HydrophobicContact CG1-CD1 4.35Å; V164-F221 HydrophobicContact CG1-CG 4.28Å; V164-F221 HydrophobicContact CG2-CB 3.63Å; V164-F221 HydrophobicContact CG2-CD1 4.36Å; V164-F221 HydrophobicContact CG2-CD2 3.73Å; V164-F221 HydrophobicContact CG2-CG 3.63Å; I167-F221 WeakPolarHBondContact CD1-O 3.22Å; P203-F221 HydrophobicContact CB-CE2 4.31Å; P203-F221 HydrophobicContact CB-CZ 4.1Å; P203-F221 HydrophobicContact CG-CD2 4.38Å; P203-F221 HydrophobicContact CG-CE2 3.61Å; P203-F221 HydrophobicContact CG-CZ 3.83Å; V205-F221 HydrophobicContact CB-CE1 4.46Å; V205-F221 HydrophobicContact CG2-CD1 4Å; V205-F221 HydrophobicContact CG2-CE1 3.78Å; Y216-F221 HydrophobicContact CD1-CE1 4.16Å; Y216-F221 HydrophobicContact CE1-CD1 4.33Å; Y216-F221 HydrophobicContact CE1-CE1 4.33Å; F221-L226 HydrophobicContact CD1-CD2 4.45Å
222S91.4Very high90Very high48 Ų4856.3 Ų56.334%0.33631%0.311SS..  trans-82.5141.8176.567.80000111.4D220 N224 S225 L226D220-S222 PolarHBondContact O-N 3.47Å; D220-S222 PolarHBondContact OD2-OG 3.38Å; S222-N224 VanDerWaalsContact C-N 3.3Å; S222-N224 PolarHBondContact O-N 3.44Å; S222-S225 PolarHBondContact O-N 3.4Å; S222-S225 VanDerWaalsContact O-N 3.16Å; S222-S225 WeakPolarHBondContact OG-CB 3.15Å; S222-S225 PolarHBondContact OG-N 3.24Å; S222-L226 WeakPolarHBondContact O-CG 3.45Å; S222-L226 PolarHBondContact O-N 3.46Å
223H92.5Very high90.2Very high40 Ų4052.1 Ų52.119%0.18529%0.294CS..Hα-helixtrans-51.5-47.9179.717996.1000112.3I167 L171 E174 L226 I227I167-H223 HydrophobicContact CG2-CB 4.33Å; L171-H223 VanDerWaalsContact CD2-CE1 3.48Å; L171-H223 WeakPolarHBondContact CD2-CE1 3.3Å; L171-H223 WeakPolarHBondContact CD2-ND1 3.11Å; E174-H223 IonicContact OE1-CE1 2.8Å; E174-H223 IonicContact OE2-CE1 3.56Å; E174-H223 PolarHBondContact OE2-CE1 2.95Å; E174-H223 IonicContact OE2-NE2 3.32Å; E174-H223 PolarHBondContact OE2-NE2 2.83Å; H223-L226 PolarHBondContact O-N 2.89Å; H223-I227 WeakPolarHBondContact NE2-CD1 3.49Å; H223-I227 WeakPolarHBondContact O-CG1 3.46Å; H223-I227 PolarHBondContact O-N 3.43Å; H223-I227 VanDerWaalsContact O-N 3.11Å
224N91.9Very high90.3Very high117 Ų11749.3 Ų49.363%0.62628%0.277SS*.Hα-helixtrans-67.4-41.8179.3-67.3-20.5000112.6S222 L226 I227 D228S222-N224 VanDerWaalsContact C-N 3.3Å; S222-N224 PolarHBondContact O-N 3.44Å; N224-L226 VanDerWaalsContact C-N 3.27Å; N224-L226 PolarHBondContact O-N 2.78Å; N224-I227 PolarHBondContact O-N 3.45Å; N224-D228 WeakPolarHBondContact O-CB 3.35Å; N224-D228 PolarHBondContact O-N 3.24Å
225S93.5Very high90.2Very high5 Ų549.7 Ų49.74%0.03528%0.276CS..Hα-helixtrans-67-31.5179-173.60000112.3Y216 R218 S222 A229Y216-S225 VanDerWaalsContact OH-CB 3.3Å; Y216-S225 WeakPolarHBondContact OH-CB 3.14Å; Y216-S225 PolarHBondContact OH-OG 3.49Å; R218-S225 WeakPolarHBondContact CD-OG 3.12Å; R218-S225 PolarHBondContact NH1-OG 2.99Å; S222-S225 PolarHBondContact O-N 3.4Å; S222-S225 VanDerWaalsContact O-N 3.16Å; S222-S225 WeakPolarHBondContact OG-CB 3.15Å; S222-S225 PolarHBondContact OG-N 3.24Å; S225-A229 VanDerWaalsContact O-CB 3.3Å; S225-A229 WeakPolarHBondContact O-CB 3.36Å; S225-A229 PolarHBondContact O-N 3.42Å
226L94.4Very high89.8Confident0 Ų054.1 Ų54.10%030%0.297CS..Hα-helixtrans-69.2-44.2175.9-70.9173.9000111F150 I167 L171 V205 Y216 F221 S222 H223 N224 D228 A229 L230F150-L226 HydrophobicContact CZ-CB 4.1Å; F150-L226 HydrophobicContact CZ-CD2 4.18Å; I167-L226 HydrophobicContact CG2-CD1 4.44Å; L171-L226 HydrophobicContact CD1-CB 4.04Å; L171-L226 HydrophobicContact CD1-CD1 3.55Å; L171-L226 HydrophobicContact CD1-CG 4.45Å; V205-L226 HydrophobicContact CB-CD2 4.4Å; V205-L226 HydrophobicContact CG1-CD2 4.11Å; V205-L226 HydrophobicContact CG2-CD2 4.16Å; Y216-L226 HydrophobicContact CD1-CD2 4.24Å; Y216-L226 HydrophobicContact CD2-CD2 4.34Å; Y216-L226 HydrophobicContact CE1-CD2 4.06Å; Y216-L226 HydrophobicContact CE2-CD2 4.19Å; Y216-L226 HydrophobicContact CG-CD2 4.35Å; F221-L226 HydrophobicContact CD1-CD2 4.45Å; S222-L226 WeakPolarHBondContact O-CG 3.45Å; S222-L226 PolarHBondContact O-N 3.46Å; H223-L226 PolarHBondContact O-N 2.89Å; N224-L226 VanDerWaalsContact C-N 3.27Å; N224-L226 PolarHBondContact O-N 2.78Å; L226-D228 PolarHBondContact O-N 3.11Å; L226-A229 PolarHBondContact O-N 3.04Å; L226-L230 WeakPolarHBondContact O-CB 3.35Å; L226-L230 PolarHBondContact O-N 2.76Å
227I93.5Very high89.2Confident35 Ų3554 Ų5418%0.17930%0.297CS..Hα-helixtrans-61.7-43.5173.7-70.5176.1000111.2L171 H223 N224 L230 R231 L294L171-I227 HydrophobicContact CD2-CD1 4.09Å; L171-I227 HydrophobicContact CD2-CG1 3.86Å; H223-I227 WeakPolarHBondContact NE2-CD1 3.49Å; H223-I227 WeakPolarHBondContact O-CG1 3.46Å; H223-I227 PolarHBondContact O-N 3.43Å; H223-I227 VanDerWaalsContact O-N 3.11Å; N224-I227 PolarHBondContact O-N 3.45Å; I227-L230 PolarHBondContact O-N 3.02Å; I227-R231 WeakPolarHBondContact O-CB 3.15Å; I227-R231 PolarHBondContact O-N 2.9Å; I227-L294 HydrophobicContact CG2-CD2 4.2Å
228D92.8Very high88.3Confident56 Ų5652.4 Ų52.430%0.29928%0.281SS..Hα-helixtrans-65.8-40.2178.8-77.4-23.3000112.1N224 L226 R231 N232N224-D228 WeakPolarHBondContact O-CB 3.35Å; N224-D228 PolarHBondContact O-N 3.24Å; L226-D228 PolarHBondContact O-N 3.11Å; D228-R231 PolarHBondContact O-N 2.97Å; D228-R231 IonicContact OD1-CZ 3.42Å; D228-R231 VanDerWaalsContact OD1-CZ 3.3Å; D228-R231 IonicContact OD1-NH1 2.93Å; D228-R231 IonicContact OD1-NH2 2.87Å; D228-R231 PolarHBondContact OD1-NH2 2.91Å; D228-N232 VanDerWaalsContact O-CB 3.31Å; D228-N232 WeakPolarHBondContact O-CB 3.34Å; D228-N232 PolarHBondContact O-N 3.07Å; D228-N232 PolarHBondContact O-ND2 3.19Å
229A93Very high86.9Confident23 Ų2346.2 Ų46.219%0.1926%0.258CS..Hα-helixtrans-63.6-44175.200000111.5I207 Y216 S225 L226 N232 A233I207-A229 HydrophobicContact CD1-CB 4.23Å; Y216-A229 HydrophobicContact CD2-CB 3.47Å; Y216-A229 VanDerWaalsContact CD2-CB 3.47Å; Y216-A229 HydrophobicContact CE2-CB 3.6Å; S225-A229 VanDerWaalsContact O-CB 3.3Å; S225-A229 WeakPolarHBondContact O-CB 3.36Å; S225-A229 PolarHBondContact O-N 3.42Å; L226-A229 PolarHBondContact O-N 3.04Å; A229-N232 PolarHBondContact O-N 3.28Å; A229-A233 WeakPolarHBondContact O-CB 3.48Å; A229-A233 PolarHBondContact O-N 3.02Å
230L94.1Very high85.5Confident1 Ų144.2 Ų44.21%0.00523%0.232CC..Hα-helixtrans-63.1-46.9176.1-169.5159.3000111.2F150 L175 I180 I207 L226 I227 N232 A233 I234 L294F150-L230 HydrophobicContact CB-CD1 4.22Å; F150-L230 HydrophobicContact CD1-CD1 3.6Å; F150-L230 HydrophobicContact CD2-CD1 4.27Å; F150-L230 HydrophobicContact CE1-CD1 3.87Å; F150-L230 HydrophobicContact CE2-CD1 4.46Å; F150-L230 HydrophobicContact CG-CD1 3.81Å; F150-L230 HydrophobicContact CZ-CD1 4.28Å; L175-L230 HydrophobicContact CD1-CD1 4.05Å; I180-L230 HydrophobicContact CD1-CD1 4.24Å; I180-L230 HydrophobicContact CD1-CD2 3.85Å; I180-L230 HydrophobicContact CG2-CD1 4.09Å; I207-L230 HydrophobicContact CD1-CB 4.35Å; L226-L230 WeakPolarHBondContact O-CB 3.35Å; L226-L230 PolarHBondContact O-N 2.76Å; I227-L230 PolarHBondContact O-N 3.02Å; L230-N232 VanDerWaalsContact C-N 3.3Å; L230-N232 PolarHBondContact O-N 3.41Å; L230-A233 PolarHBondContact O-N 3.35Å; L230-I234 HydrophobicContact CD2-CD1 3.43Å; L230-I234 VanDerWaalsContact CD2-CD1 3.43Å; L230-I234 HydrophobicContact CD2-CG1 4.13Å; L230-I234 WeakPolarHBondContact O-CG1 3.14Å; L230-I234 PolarHBondContact O-N 3.04Å; L230-L294 HydrophobicContact CD2-CD1 3.3Å; L230-L294 HydrophobicContact CD2-CD2 3.85Å; L230-L294 HydrophobicContact CD2-CG 4.19Å
231R93.1Very high83.5Confident46 Ų4643 Ų4317%0.17422%0.224CC..Hα-helixtrans-56.4-46.2174.6-178.1-178.762.3-160.1-10.3111.1I227 D228 I234 M235 P292 L294I227-R231 WeakPolarHBondContact O-CB 3.15Å; I227-R231 PolarHBondContact O-N 2.9Å; D228-R231 PolarHBondContact O-N 2.97Å; D228-R231 IonicContact OD1-CZ 3.42Å; D228-R231 VanDerWaalsContact OD1-CZ 3.3Å; D228-R231 IonicContact OD1-NH1 2.93Å; D228-R231 IonicContact OD1-NH2 2.87Å; D228-R231 PolarHBondContact OD1-NH2 2.91Å; R231-I234 PolarHBondContact O-N 3.02Å; R231-M235 HydrophobicContact CG-CG 4.36Å; R231-M235 WeakPolarHBondContact O-CB 3.31Å; R231-M235 VanDerWaalsContact O-CG 3.28Å; R231-M235 WeakPolarHBondContact O-CG 3.21Å; R231-M235 PolarHBondContact O-N 3.31Å; R231-P292 WeakPolarHBondContact CD-O 3.32Å; R231-L294 HydrophobicContact CB-CD1 4.28Å
232N91.6Very high81.4Confident69 Ų6943 Ų4337%0.36923%0.229SC..Hα-helixtrans-66.3-37.6179.3-72-20000112.2D228 A229 L230 K236D228-N232 VanDerWaalsContact O-CB 3.31Å; D228-N232 WeakPolarHBondContact O-CB 3.34Å; D228-N232 PolarHBondContact O-N 3.07Å; D228-N232 PolarHBondContact O-ND2 3.19Å; A229-N232 PolarHBondContact O-N 3.28Å; L230-N232 VanDerWaalsContact C-N 3.3Å; L230-N232 PolarHBondContact O-N 3.41Å; N232-K236 VanDerWaalsContact O-CB 3.27Å; N232-K236 WeakPolarHBondContact O-CB 3.37Å; N232-K236 VanDerWaalsContact O-CG 3.23Å; N232-K236 WeakPolarHBondContact O-CG 3.28Å; N232-K236 PolarHBondContact O-N 3.16Å
233A91.1Very high78.8Confident12 Ų1246.5 Ų46.510%0.09924%0.238CC..Hα-helixtrans-63.6-45.8175.500000111.4I207 A229 L230 K236 S237I207-A233 HydrophobicContact CB-CB 4.33Å; I207-A233 HydrophobicContact CD1-CB 4.12Å; I207-A233 HydrophobicContact CG2-CB 3.85Å; A229-A233 WeakPolarHBondContact O-CB 3.48Å; A229-A233 PolarHBondContact O-N 3.02Å; L230-A233 PolarHBondContact O-N 3.35Å; A233-K236 PolarHBondContact O-N 3.27Å; A233-S237 PolarHBondContact O-N 2.91Å
234I91.5Very high76.1Confident0 Ų046.7 Ų46.70%025%0.247CC..Hα-helixtrans-65.2-45.4175.8-64.3178000110.9P148 V209 L230 R231 K236 S237 L257 L294 C297 V298 F301P148-I234 HydrophobicContact CB-CD1 4.19Å; P148-I234 HydrophobicContact CB-CG1 4.39Å; P148-I234 HydrophobicContact CG-CD1 3.9Å; V209-I234 HydrophobicContact CG2-CG1 4.11Å; L230-I234 HydrophobicContact CD2-CD1 3.43Å; L230-I234 VanDerWaalsContact CD2-CD1 3.43Å; L230-I234 HydrophobicContact CD2-CG1 4.13Å; L230-I234 WeakPolarHBondContact O-CG1 3.14Å; L230-I234 PolarHBondContact O-N 3.04Å; R231-I234 PolarHBondContact O-N 3.02Å; I234-K236 VanDerWaalsContact C-N 3.28Å; I234-K236 PolarHBondContact O-N 3.27Å; I234-S237 VanDerWaalsContact O-CB 3.29Å; I234-S237 WeakPolarHBondContact O-CB 3.43Å; I234-S237 PolarHBondContact O-N 3Å; I234-S237 PolarHBondContact O-OG 2.97Å; I234-L257 HydrophobicContact CG2-CD2 3.56Å; I234-L257 WeakPolarHBondContact O-CD2 3.43Å; I234-L294 HydrophobicContact CD1-CD1 3.94Å; I234-C297 HydrophobicContact CG2-CB 3.93Å; I234-V298 HydrophobicContact CD1-CG2 3.86Å; I234-F301 HydrophobicContact CG2-CB 4.08Å; I234-F301 HydrophobicContact CG2-CG 4.43Å
235M88.1Confident73.4Confident59 Ų5947.2 Ų47.229%0.29125%0.249SC..Hα-helixtrans-65-31.8179.6-75.9-65.7-6100113.3R231 S237 I258 P292 C297R231-M235 HydrophobicContact CG-CG 4.36Å; R231-M235 WeakPolarHBondContact O-CB 3.31Å; R231-M235 VanDerWaalsContact O-CG 3.28Å; R231-M235 WeakPolarHBondContact O-CG 3.21Å; R231-M235 PolarHBondContact O-N 3.31Å; M235-S237 VanDerWaalsContact C-N 3.34Å; M235-I258 HydrophobicContact CE-CB 4.05Å; M235-I258 HydrophobicContact SD-CB 4.16Å; M235-I258 HydrophobicContact SD-CD1 4.01Å; M235-I258 HydrophobicContact SD-CG1 4.22Å; M235-P292 HydrophobicContact CE-CG 4.16Å; M235-P292 HydrophobicContact SD-CG 4Å; M235-C297 HydrophobicContact SD-CB 4.43Å
236K84.5Confident70.6Confident177 Ų17753.4 Ų53.477%0.7729%0.289SS*.Hα-helixtrans-78-20.8173.2-74.7177.9179.6-175.50112.7N232 A233 I234 N238N232-K236 VanDerWaalsContact O-CB 3.27Å; N232-K236 WeakPolarHBondContact O-CB 3.37Å; N232-K236 VanDerWaalsContact O-CG 3.23Å; N232-K236 WeakPolarHBondContact O-CG 3.28Å; N232-K236 PolarHBondContact O-N 3.16Å; A233-K236 PolarHBondContact O-N 3.27Å; I234-K236 VanDerWaalsContact C-N 3.28Å; I234-K236 PolarHBondContact O-N 3.27Å; K236-N238 PolarHBondContact O-N 2.74Å; K236-N238 VanDerWaalsContact O-N 3.14Å
237S78.5Confident67.9Low8 Ų859 Ų596%0.05632%0.324CS..  trans-61.412017379.80000108.1A233 I234 M235A233-S237 PolarHBondContact O-N 2.91Å; I234-S237 VanDerWaalsContact O-CB 3.29Å; I234-S237 WeakPolarHBondContact O-CB 3.43Å; I234-S237 PolarHBondContact O-N 3Å; I234-S237 PolarHBondContact O-OG 2.97Å; M235-S237 VanDerWaalsContact C-N 3.34Å
238N64.5Low65.1Low72 Ų7261.7 Ų61.739%0.38533%0.334SS..  trans-98.9118.4172.9-165.9-10.6000105.8K236 S240K236-N238 PolarHBondContact O-N 2.74Å; K236-N238 VanDerWaalsContact O-N 3.14Å; N238-S240 PolarHBondContact O-N 2.67Å; N238-S240 PolarHBondContact O-OG 2.77Å; N238-S240 VanDerWaalsContact O-OG 3.12Å
239P54.5Low62.3Low7 Ų763 Ų635%0.04534%0.341CS..SBendtrans-63.915.6-176.824.7-33.5000114.8H241 S242 T252 A304P239-H241 PolarHBondContact O-N 2.8Å; P239-S242 PolarHBondContact O-N 2.89Å; P239-T252 HydrophobicContact CB-CG2 4.39Å; P239-T252 HydrophobicContact CG-CG2 4.42Å; P239-T252 PolarHBondContact O-OG1 2.96Å; P239-A304 HydrophobicContact CB-CB 3.72Å; P239-A304 HydrophobicContact CG-CB 3.96Å
240S46.3Very low59.9Low33 Ų3362.1 Ų62.123%0.23133%0.333CS..THydrogen-bonded Turntrans-52.6-7.9171.264.70000115.7N238 S250 T252N238-S240 PolarHBondContact O-N 2.67Å; N238-S240 PolarHBondContact O-OG 2.77Å; N238-S240 VanDerWaalsContact O-OG 3.12Å; S240-S250 VanDerWaalsContact O-CB 3.23Å; S240-S250 WeakPolarHBondContact O-CB 3.43Å; S240-T252 WeakPolarHBondContact CA-OG1 3.15Å; S240-T252 PolarHBondContact N-OG1 3.06Å
241H44.9Very low57.7Low51 Ų5163.3 Ų63.324%0.23634%0.34CS..THydrogen-bonded Turntrans-12029.1-175.8-75.3-26.4000115.5D210 P239 K243D210-H241 WeakPolarHBondContact OD2-CB 3.39Å; P239-H241 PolarHBondContact O-N 2.8Å; H241-K243 HydrophobicContact CB-CG 4.12Å; H241-K243 WeakPolarHBondContact CE1-CE 3.49Å; H241-K243 WeakPolarHBondContact ND1-CE 3.46Å; H241-K243 PolarHBondContact O-N 3.49Å
242S44.1Very low55.7Low43 Ų4361.1 Ų61.130%0.30133%0.332SS..  trans-59.864.4133.676.70000108.6P239 A244 S250P239-S242 PolarHBondContact O-N 2.89Å; S242-A244 PolarHBondContact O-N 3.34Å; S242-S250 VanDerWaalsContact OG-CB 3.31Å; S242-S250 WeakPolarHBondContact OG-CB 3.23Å; S242-S250 PolarHBondContact OG-OG 2.89Å
243K37Very low53.7Low122 Ų12260.5 Ų60.553%0.5333%0.329SS..  trans-61.993.9174.4-76.4-179.2-179.9175.60104.6H241H241-K243 HydrophobicContact CB-CG 4.12Å; H241-K243 WeakPolarHBondContact CE1-CE 3.49Å; H241-K243 WeakPolarHBondContact ND1-CE 3.46Å; H241-K243 PolarHBondContact O-N 3.49Å
244A35.1Very low52.1Low45 Ų4563.8 Ų63.837%0.37234%0.344SS..  trans-46.5146.8136.400000106.5S242 F248S242-A244 PolarHBondContact O-N 3.34Å; A244-F248 HydrophobicContact CB-CB 3.73Å
245L36.2Very low50.9Low128 Ų12865.1 Ų65.167%0.6735%0.353SS*.SBendtrans-30.9145.2-174.4-72.4108.9000113.3T247 F248L245-T247 CarbonylContact O-C 3.44Å; L245-T247 WeakPolarHBondContact O-CA 3.16Å; L245-T247 PolarHBondContact O-N 2.99Å; L245-F248 HydrophobicContact CB-CD2 4.48Å; L245-F248 PolarHBondContact O-N 3.04Å
246P35.1Very low50.5Low135 Ų13565.5 Ų65.588%0.87736%0.359SS*.THydrogen-bonded Turntrans-46.7-14.2-170.214-29.5000117.6
247T36.3Very low50.6Low117 Ų11757.5 Ų57.572%0.71833%0.325SS*.THydrogen-bonded Turntrans-76.7-11.1167.8-16.50000115.6L245L245-T247 CarbonylContact O-C 3.44Å; L245-T247 WeakPolarHBondContact O-CA 3.16Å; L245-T247 PolarHBondContact O-N 2.99Å
248F34.2Very low51.2Low92 Ų9257.7 Ų57.740%0.40433%0.325SS..SBendtrans-134116.9-169.3-60.9-70.4000112.7A244 L245 V607A244-F248 HydrophobicContact CB-CB 3.73Å; L245-F248 HydrophobicContact CB-CD2 4.48Å; L245-F248 PolarHBondContact O-N 3.04Å; F248-V607 VanDerWaalsContact CA-CG1 3.5Å; F248-V607 HydrophobicContact CB-CG1 3.84Å; F248-V607 HydrophobicContact CD1-CG1 3.89Å; F248-V607 HydrophobicContact CG-CG1 4.37Å
249L34.6Very low52.4Low83 Ų8357 Ų5744%0.43532%0.319SS..  trans-83.8137.7179-68.2161.3000112.6V607L249-V607 HydrophobicContact CB-CG1 4.27Å; L249-V607 WeakPolarHBondContact O-CG1 3.31Å; L249-V607 VanDerWaalsContact O-CG2 3.22Å; L249-V607 WeakPolarHBondContact O-CG2 3.39Å
250S42.8Very low54.1Low5 Ų560.6 Ų60.64%0.03535%0.345CS..  trans-53158.1-178.9176.30000116.4S240 S242 T252 I253S240-S250 VanDerWaalsContact O-CB 3.23Å; S240-S250 WeakPolarHBondContact O-CB 3.43Å; S242-S250 VanDerWaalsContact OG-CB 3.31Å; S242-S250 WeakPolarHBondContact OG-CB 3.23Å; S242-S250 PolarHBondContact OG-OG 2.89Å; S250-T252 VanDerWaalsContact C-N 3.31Å; S250-T252 PolarHBondContact O-N 3.49Å; S250-T252 PolarHBondContact OG-N 3.21Å; S250-T252 PolarHBondContact OG-OG1 3.13Å; S250-I253 WeakPolarHBondContact O-CD1 3.46Å; S250-I253 WeakPolarHBondContact O-CG1 3.48Å
251T48.2Very low56.1Low25 Ų2559.1 Ų59.115%0.15333%0.334CS..SBendtrans-75.5-7.517860.70000115.1Y375 L606T251-Y375 HydrophobicContact CG2-CD2 4.36Å; T251-Y375 HydrophobicContact CG2-CE2 3.76Å; T251-L606 HydrophobicContact CG2-CB 3.93Å; T251-L606 HydrophobicContact CG2-CD1 3.76Å; T251-L606 HydrophobicContact CG2-CG 4.45Å
252T49.9Very low58.1Low0 Ų061.1 Ų61.10%035%0.347CS..  trans-95.116.2-170.4580000114.5P239 S240 S250 D254 T255P239-T252 HydrophobicContact CB-CG2 4.39Å; P239-T252 HydrophobicContact CG-CG2 4.42Å; P239-T252 PolarHBondContact O-OG1 2.96Å; S240-T252 WeakPolarHBondContact CA-OG1 3.15Å; S240-T252 PolarHBondContact N-OG1 3.06Å; S250-T252 VanDerWaalsContact C-N 3.31Å; S250-T252 PolarHBondContact O-N 3.49Å; S250-T252 PolarHBondContact OG-N 3.21Å; S250-T252 PolarHBondContact OG-OG1 3.13Å; T252-D254 PolarHBondContact O-N 3.34Å; T252-T255 PolarHBondContact O-N 3.41Å; T252-T255 PolarHBondContact O-OG1 3.14Å; T252-T255 VanDerWaalsContact O-OG1 3.05Å
253I51.5Low60Low57 Ų5762.3 Ų62.329%0.29235%0.35SS..THydrogen-bonded Turntrans-65.7134.3-171.6-62.2147.9000111.2S250 T255S250-I253 WeakPolarHBondContact O-CD1 3.46Å; S250-I253 WeakPolarHBondContact O-CG1 3.48Å; I253-T255 PolarHBondContact O-N 2.8Å
254D56.9Low62.3Low81 Ų8159.1 Ų59.143%0.43334%0.335SS..THydrogen-bonded Turntrans69.8-2.8-179.5-57-41.1000116.6T252 P256 R617T252-D254 PolarHBondContact O-N 3.34Å; D254-P256 WeakPolarHBondContact O-CD 3.19Å; D254-R617 IonicContact OD1-NH1 2.97Å; D254-R617 PolarHBondContact OD1-NH1 2.92Å
255T65.1Low64.6Low28 Ų2862.2 Ų62.217%0.17235%0.345CS..  trans-86.4113.8170.356.80000110T252 I253 R280T252-T255 PolarHBondContact O-N 3.41Å; T252-T255 PolarHBondContact O-OG1 3.14Å; T252-T255 VanDerWaalsContact O-OG1 3.05Å; I253-T255 PolarHBondContact O-N 2.8Å; T255-R280 PolarHBondContact OG1-NH1 2.95Å
256P81.1Confident67Low67 Ų6758.6 Ų58.644%0.43533%0.328SS..  trans-60.5154.5170.729.2-35000109.2D254 I258 Q259D254-P256 WeakPolarHBondContact O-CD 3.19Å; P256-I258 PolarHBondContact O-N 3.08Å; P256-Q259 HydrophobicContact CG-CB 3.92Å; P256-Q259 HydrophobicContact CG-CG 4.35Å
257L86.9Confident69.5Low9 Ų952.1 Ų52.15%0.04729%0.287CS..SBendtrans-52.6-46.1-179-179.367000111.9I234 A300 F301 A304I234-L257 HydrophobicContact CG2-CD2 3.56Å; I234-L257 WeakPolarHBondContact O-CD2 3.43Å; L257-A300 HydrophobicContact CD1-CB 4.3Å; L257-A300 HydrophobicContact CG-CB 4.19Å; L257-F301 HydrophobicContact CD1-CB 4.3Å; L257-F301 HydrophobicContact CD1-CD2 4.44Å; L257-F301 HydrophobicContact CD2-CB 4.26Å; L257-A304 HydrophobicContact CD1-CB 4.13Å
258I90.8Very high71.9Confident11 Ų1147.8 Ų47.86%0.05626%0.26CS..EExtended strand (participates in β ladder)trans-130.9120.3171.9-62.2-180000107.9M235 P256 P292 A300 A309 Y311M235-I258 HydrophobicContact CE-CB 4.05Å; M235-I258 HydrophobicContact SD-CB 4.16Å; M235-I258 HydrophobicContact SD-CD1 4.01Å; M235-I258 HydrophobicContact SD-CG1 4.22Å; P256-I258 PolarHBondContact O-N 3.08Å; I258-P292 HydrophobicContact CD1-CB 3.97Å; I258-P292 HydrophobicContact CD1-CG 4.15Å; I258-A300 HydrophobicContact CD1-CB 3.83Å; I258-A300 HydrophobicContact CG1-CB 3.59Å; I258-A309 WeakPolarHBondContact CA-O 3.49Å; I258-A309 HydrophobicContact CG1-CB 4.06Å; I258-Y311 HydrophobicContact CG2-CG 4.43Å
259Q89Confident74.2Confident57 Ų5747.6 Ų47.627%0.26626%0.263SS..EExtended strand (participates in β ladder)trans-87.9124.9174.6-173.6168.6-6.100110.7P256 F271 A309 G310 Y311P256-Q259 HydrophobicContact CG-CB 3.92Å; P256-Q259 HydrophobicContact CG-CG 4.35Å; Q259-F271 HydrophobicContact CB-CD2 3.98Å; Q259-F271 HydrophobicContact CB-CE2 4.26Å; Q259-F271 HydrophobicContact CG-CD2 4.37Å; Q259-A309 PolarHBondContact N-O 3.05Å; Q259-G310 CarbonylContact O-C 3.6Å; Q259-G310 VanDerWaalsContact O-CA 3.27Å; Q259-G310 WeakPolarHBondContact O-CA 3.15Å; Q259-Y311 PolarHBondContact O-N 3.38Å
260S90Very high76.5Confident83 Ų8347.6 Ų47.658%0.5827%0.267SS*.EExtended strand (participates in β ladder)trans-72.1128.2171.7550000110.7
261I89.3Confident78.7Confident2 Ų247.6 Ų47.61%0.0127%0.266CS..  trans-112.5121.3178.9-62.4157.5000108.1F267 F271 V284 Y311 I312 N319I261-F267 HydrophobicContact CD1-CD2 4.1Å; I261-F267 HydrophobicContact CG2-CB 3.83Å; I261-F271 HydrophobicContact CD1-CB 4.36Å; I261-F271 HydrophobicContact CD1-CD1 3.67Å; I261-F271 HydrophobicContact CD1-CD2 4.46Å; I261-F271 HydrophobicContact CD1-CE1 4.02Å; I261-F271 HydrophobicContact CD1-CG 3.9Å; I261-F271 HydrophobicContact CG1-CB 4.33Å; I261-F271 HydrophobicContact CG1-CG 4.29Å; I261-V284 HydrophobicContact CD1-CG2 4.46Å; I261-Y311 PolarHBondContact N-O 2.94Å; I261-I312 HydrophobicContact CB-CD1 4.37Å; I261-I312 HydrophobicContact CB-CG1 3.72Å; I261-I312 HydrophobicContact CD1-CD1 4.44Å; I261-I312 HydrophobicContact CD1-CG1 4.18Å; I261-I312 HydrophobicContact CG2-CD1 4.11Å; I261-I312 HydrophobicContact CG2-CG1 3.95Å; I261-N319 PolarHBondContact O-ND2 2.66Å
262N86.2Confident80.7Confident93 Ų9346.7 Ų46.750%0.49726%0.26SS..  trans-108-21.2-175.2-60.8-23.8000113.1S318 N319N262-S318 VanDerWaalsContact O-CB 3.28Å; N262-S318 WeakPolarHBondContact O-CB 3.49Å; N262-N319 PolarHBondContact O-OD1 3.26Å
263D84.8Confident82.3Confident69 Ų6949 Ų4937%0.36927%0.269SS..SBendtrans-143.4157.2-174.3-64.7-55.4000111.4D265 T266 F267 S318D263-D265 VanDerWaalsContact C-N 3.31Å; D263-D265 PolarHBondContact O-N 3.43Å; D263-T266 HydrophobicContact CB-CG2 4.22Å; D263-T266 PolarHBondContact N-OG1 3.42Å; D263-T266 PolarHBondContact O-N 3.01Å; D263-T266 PolarHBondContact O-OG1 2.85Å; D263-F267 PolarHBondContact O-N 3.28Å; D263-S318 WeakPolarHBondContact OD1-CB 3.4Å
264Y84.5Confident83.8Confident55 Ų5546.8 Ų46.822%0.21626%0.26CS..Hα-helixtrans-64.3-36.6175.2-179.5-92.3000112.4F267 V268 F322 K325 F326Y264-F267 HydrophobicContact CE2-CD1 4.44Å; Y264-F267 WeakPolarHBondContact O-CB 3.28Å; Y264-F267 PolarHBondContact O-N 3.13Å; Y264-V268 HydrophobicContact CD1-CG2 4.08Å; Y264-V268 HydrophobicContact CE1-CG2 3.45Å; Y264-V268 VanDerWaalsContact CE1-CG2 3.45Å; Y264-V268 HydrophobicContact CE2-CG2 4.02Å; Y264-V268 PolarHBondContact O-N 3.2Å; Y264-F322 AromaticContact CD2-CD2 3.69Å; Y264-F322 HydrophobicContact CD2-CD2 3.69Å; Y264-F322 HydrophobicContact CD2-CE2 4.15Å; Y264-F322 HydrophobicContact CG-CD2 4.5Å; Y264-K325 HydrophobicContact CD2-CD 4.25Å; Y264-K325 HydrophobicContact CE2-CD 3.8Å; Y264-K325 PolarHBondContact OH-NZ 3.44Å; Y264-F326 HydrophobicContact CD2-CE2 4.4Å; Y264-F326 HydrophobicContact CE2-CE2 4.06Å; Y264-F326 HydrophobicContact CE2-CZ 4.3Å
265D84Confident85.1Confident110 Ų11043.2 Ų43.259%0.58824%0.241SC*.Hα-helixtrans-70.7-37.3-179.5-66-24.4000111.7D263 F267 V268 N269D263-D265 VanDerWaalsContact C-N 3.31Å; D263-D265 PolarHBondContact O-N 3.43Å; D265-F267 VanDerWaalsContact C-N 3.31Å; D265-F267 PolarHBondContact O-N 3.47Å; D265-V268 PolarHBondContact O-N 2.72Å; D265-N269 VanDerWaalsContact O-CB 3.29Å; D265-N269 WeakPolarHBondContact O-CB 3.42Å; D265-N269 PolarHBondContact O-N 3.17Å; D265-N269 PolarHBondContact O-ND2 3.43Å
266T85.1Confident85.7Confident51 Ų5143.2 Ų43.231%0.31324%0.237SC..Hα-helixtrans-66.3-35.1172.760.40000111.6D263 T270 F271D263-T266 HydrophobicContact CB-CG2 4.22Å; D263-T266 PolarHBondContact N-OG1 3.42Å; D263-T266 PolarHBondContact O-N 3.01Å; D263-T266 PolarHBondContact O-OG1 2.85Å; T266-T270 WeakPolarHBondContact O-CA 3.23Å; T266-T270 WeakPolarHBondContact O-CB 3.45Å; T266-T270 PolarHBondContact O-N 2.87Å; T266-T270 PolarHBondContact O-OG1 3.1Å; T266-F271 PolarHBondContact O-N 3.3Å
267F88.8Confident85.4Confident0 Ų045.7 Ų45.70%024%0.238CC..Iπ-helixtrans-60-55.1170.4170.7-106.6000111.8I261 D263 Y264 D265 F271 H272 V284 F322 Y338I261-F267 HydrophobicContact CD1-CD2 4.1Å; I261-F267 HydrophobicContact CG2-CB 3.83Å; D263-F267 PolarHBondContact O-N 3.28Å; Y264-F267 HydrophobicContact CE2-CD1 4.44Å; Y264-F267 WeakPolarHBondContact O-CB 3.28Å; Y264-F267 PolarHBondContact O-N 3.13Å; D265-F267 VanDerWaalsContact C-N 3.31Å; D265-F267 PolarHBondContact O-N 3.47Å; F267-F271 AromaticContact CD2-CD1 3.74Å; F267-F271 HydrophobicContact CD2-CD1 3.74Å; F267-F271 HydrophobicContact CD2-CE1 4.48Å; F267-F271 AromaticContact CE2-CD1 3.85Å; F267-F271 HydrophobicContact CE2-CD1 3.85Å; F267-F271 HydrophobicContact CE2-CE1 4.25Å; F267-F271 PolarHBondContact O-N 3.16Å; F267-H272 HydrophobicContact CE1-CB 4.43Å; F267-H272 HydrophobicContact CE2-CB 4.23Å; F267-H272 HydrophobicContact CZ-CB 4.16Å; F267-H272 WeakPolarHBondContact O-CB 3.4Å; F267-H272 PolarHBondContact O-N 3.33Å; F267-V284 HydrophobicContact CD2-CG2 4.25Å; F267-V284 HydrophobicContact CE2-CG2 3.59Å; F267-V284 HydrophobicContact CZ-CG2 4.47Å; F267-F322 HydrophobicContact CB-CD2 4.5Å; F267-F322 HydrophobicContact CB-CE2 4.03Å; F267-F322 AromaticContact CD1-CE2 3.62Å; F267-F322 HydrophobicContact CD1-CE2 3.62Å; F267-F322 HydrophobicContact CD1-CZ 4.42Å; F267-F322 HydrophobicContact CD2-CE2 4.17Å; F267-F322 HydrophobicContact CD2-CZ 4.49Å; F267-F322 HydrophobicContact CE1-CE2 4.07Å; F267-F322 AromaticContact CG-CE2 3.66Å; F267-F322 HydrophobicContact CG-CE2 3.66Å; F267-F322 HydrophobicContact CG-CZ 4.4Å; F267-Y338 HydrophobicContact CE2-CD2 4.3Å; F267-Y338 HydrophobicContact CE2-CE2 4.24Å; F267-Y338 HydrophobicContact CZ-CD1 4.32Å; F267-Y338 AromaticContact CZ-CD2 3.9Å; F267-Y338 HydrophobicContact CZ-CD2 3.9Å; F267-Y338 HydrophobicContact CZ-CE1 4.21Å; F267-Y338 AromaticContact CZ-CE2 3.78Å; F267-Y338 HydrophobicContact CZ-CE2 3.78Å; F267-Y338 HydrophobicContact CZ-CG 4.17Å; F267-Y338 AromaticContact CZ-CZ 3.94Å
268V85.8Confident85Confident26 Ų2645.6 Ų45.616%0.15824%0.238CC..Iπ-helixtrans-70.8-51.2-173176.40000111.8Y264 D265 Y273Y264-V268 HydrophobicContact CD1-CG2 4.08Å; Y264-V268 HydrophobicContact CE1-CG2 3.45Å; Y264-V268 VanDerWaalsContact CE1-CG2 3.45Å; Y264-V268 HydrophobicContact CE2-CG2 4.02Å; Y264-V268 PolarHBondContact O-N 3.2Å; D265-V268 PolarHBondContact O-N 2.72Å; V268-Y273 WeakPolarHBondContact O-CB 3.21Å; V268-Y273 PolarHBondContact O-N 2.83Å
269N83.2Confident84.5Confident88 Ų8845.5 Ų45.547%0.47124%0.238SC..Iπ-helixtrans-82.6-27.5-168.3-62.7-29.8000112.7D265 Y273D265-N269 VanDerWaalsContact O-CB 3.29Å; D265-N269 WeakPolarHBondContact O-CB 3.42Å; D265-N269 PolarHBondContact O-N 3.17Å; D265-N269 PolarHBondContact O-ND2 3.43Å; N269-Y273 WeakPolarHBondContact O-CB 3.49Å
270T82.9Confident84.4Confident83 Ų8343.2 Ų43.251%0.50923%0.227SC..Iπ-helixtrans-109.7-61.7-174.3-30.40000111.4T266T266-T270 WeakPolarHBondContact O-CA 3.23Å; T266-T270 WeakPolarHBondContact O-CB 3.45Å; T266-T270 PolarHBondContact O-N 2.87Å; T266-T270 PolarHBondContact O-OG1 3.1Å
271F89.5Confident84.4Confident4 Ų439.3 Ų39.32%0.01820%0.199CC..Iπ-helixtrans-73.3-56.8-172.3175.2-106.5000112.6Q259 I261 T266 F267 G274 R282 V284 G310Q259-F271 HydrophobicContact CB-CD2 3.98Å; Q259-F271 HydrophobicContact CB-CE2 4.26Å; Q259-F271 HydrophobicContact CG-CD2 4.37Å; I261-F271 HydrophobicContact CD1-CB 4.36Å; I261-F271 HydrophobicContact CD1-CD1 3.67Å; I261-F271 HydrophobicContact CD1-CD2 4.46Å; I261-F271 HydrophobicContact CD1-CE1 4.02Å; I261-F271 HydrophobicContact CD1-CG 3.9Å; I261-F271 HydrophobicContact CG1-CB 4.33Å; I261-F271 HydrophobicContact CG1-CG 4.29Å; T266-F271 PolarHBondContact O-N 3.3Å; F267-F271 AromaticContact CD2-CD1 3.74Å; F267-F271 HydrophobicContact CD2-CD1 3.74Å; F267-F271 HydrophobicContact CD2-CE1 4.48Å; F267-F271 AromaticContact CE2-CD1 3.85Å; F267-F271 HydrophobicContact CE2-CD1 3.85Å; F267-F271 HydrophobicContact CE2-CE1 4.25Å; F267-F271 PolarHBondContact O-N 3.16Å; F271-G274 PolarHBondContact O-N 3.29Å; F271-R282 HydrophobicContact CE1-CB 3.85Å; F271-R282 HydrophobicContact CE1-CG 4.43Å; F271-R282 HydrophobicContact CZ-CB 4.25Å; F271-R282 PolarHBondContact O-NE 3.31Å; F271-V284 HydrophobicContact CE1-CG2 3.84Å; F271-G310 VanDerWaalsContact CZ-CA 3.48Å
272H90Very high84.6Confident6 Ų639.5 Ų39.53%0.02820%0.2CC..Iπ-helixtrans-63.6-51.8-176.5178.9-87000110.3F267 G274 W275 H339 E340 D341 S342F267-H272 HydrophobicContact CE1-CB 4.43Å; F267-H272 HydrophobicContact CE2-CB 4.23Å; F267-H272 HydrophobicContact CZ-CB 4.16Å; F267-H272 WeakPolarHBondContact O-CB 3.4Å; F267-H272 PolarHBondContact O-N 3.33Å; H272-G274 PolarHBondContact O-N 2.86Å; H272-W275 AromaticContact CE1-CD1 3.65Å; H272-W275 AromaticContact CE1-NE1 3.51Å; H272-W275 AromaticContact ND1-CD1 3.84Å; H272-W275 AromaticContact ND1-NE1 3.88Å; H272-W275 PolarHBondContact O-N 2.99Å; H272-W275 VanDerWaalsContact O-N 3.1Å; H272-H339 PolarHBondContact NE2-O 3.39Å; H272-E340 PolarHBondContact CE1-O 2.87Å; H272-E340 VanDerWaalsContact CE1-O 3.29Å; H272-D341 PolarHBondContact NE2-O 3.12Å; H272-S342 PolarHBondContact CE1-N 3.19Å; H272-S342 WeakPolarHBondContact NE2-CA 3.31Å; H272-S342 PolarHBondContact NE2-N 3.13Å
273Y83.5Confident84.9Confident50 Ų5035.1 Ų35.120%0.19618%0.177CC..THydrogen-bonded Turntrans-51.5-27.8178.9177.4-99.2000114.4V268 N269 W275 R276 E426 Q427 I428V268-Y273 WeakPolarHBondContact O-CB 3.21Å; V268-Y273 PolarHBondContact O-N 2.83Å; N269-Y273 WeakPolarHBondContact O-CB 3.49Å; Y273-W275 PolarHBondContact O-N 3.36Å; Y273-R276 PolarHBondContact O-N 2.74Å; Y273-E426 WeakPolarHBondContact CE2-O 3.43Å; Y273-E426 PolarHBondContact OH-O 2.76Å; Y273-Q427 WeakPolarHBondContact OH-CA 3.42Å; Y273-Q427 PolarHBondContact OH-N 2.97Å; Y273-I428 HydrophobicContact CD2-CD1 4.23Å; Y273-I428 HydrophobicContact CD2-CG1 3.81Å; Y273-I428 HydrophobicContact CE2-CG1 3.76Å
274G81.5Confident85.4Confident10 Ų1031.8 Ų31.810%0.10316%0.159CC..THydrogen-bonded Turntrans-56.1-21.3177.700000115.2F271 H272 R276 R277 D278 R282F271-G274 PolarHBondContact O-N 3.29Å; H272-G274 PolarHBondContact O-N 2.86Å; G274-R276 PolarHBondContact O-N 3.31Å; G274-R277 WeakPolarHBondContact O-CB 3.4Å; G274-R277 PolarHBondContact O-N 3.39Å; G274-D278 PolarHBondContact O-N 2.87Å; G274-R282 VanDerWaalsContact C-CZ 3.5Å; G274-R282 PolarHBondContact O-NH2 3.04Å
275W85.2Confident85.9Confident6 Ų629.2 Ų29.22%0.02315%0.149CC..Hα-helixtrans-56.8-26.3178.473.2-110.3000112.4H272 Y273 R277 D278 S279 R280 R282 E340 L369H272-W275 AromaticContact CE1-CD1 3.65Å; H272-W275 AromaticContact CE1-NE1 3.51Å; H272-W275 AromaticContact ND1-CD1 3.84Å; H272-W275 AromaticContact ND1-NE1 3.88Å; H272-W275 PolarHBondContact O-N 2.99Å; H272-W275 VanDerWaalsContact O-N 3.1Å; Y273-W275 PolarHBondContact O-N 3.36Å; W275-R277 VanDerWaalsContact C-N 3.29Å; W275-R277 PolarHBondContact O-N 3.36Å; W275-D278 WeakPolarHBondContact CA-OD1 3.3Å; W275-S279 WeakPolarHBondContact O-CA 3.24Å; W275-S279 PolarHBondContact O-N 2.78Å; W275-R280 VanDerWaalsContact CB-O 3.27Å; W275-R280 WeakPolarHBondContact CB-O 3.27Å; W275-R282 HydrophobicContact CB-CG 4.24Å; W275-R282 VanDerWaalsContact N-CZ 3.3Å; W275-E340 HydrophobicContact CD2-CG 4.28Å; W275-E340 HydrophobicContact CE3-CG 4.12Å; W275-E340 HydrophobicContact CH2-CB 3.92Å; W275-E340 HydrophobicContact CH2-CG 3.62Å; W275-E340 HydrophobicContact CZ2-CB 3.54Å; W275-E340 HydrophobicContact CZ2-CG 3.76Å; W275-E340 HydrophobicContact CZ3-CG 3.79Å; W275-L369 HydrophobicContact CD2-CD1 4.46Å; W275-L369 HydrophobicContact CE3-CD1 3.64Å; W275-L369 HydrophobicContact CZ3-CD1 4.21Å
276R78Confident86.3Confident27 Ų2724 Ų2410%0.10212%0.121CC..Hα-helixtrans-67.6-30177-70.7-174.1173.479.4-1113Y273 G274 E426 D433Y273-R276 PolarHBondContact O-N 2.74Å; G274-R276 PolarHBondContact O-N 3.31Å; R276-E426 WeakPolarHBondContact CD-O 3.17Å; R276-D433 IonicContact CZ-OD1 3.74Å; R276-D433 VanDerWaalsContact NH2-CG 3.27Å; R276-D433 IonicContact NH2-OD1 3.7Å; R276-D433 PolarHBondContact NH2-OD1 2.85Å; R276-D433 IonicContact NH2-OD2 3.45Å; R276-D433 PolarHBondContact NH2-OD2 3.34Å
277R75.4Confident86.6Confident119 Ų11923 Ų2345%0.44911%0.112SC..Hα-helixtrans-80.5-46-178.4-67.2179.963.7171.4-4.1111.2G274 W275 L606G274-R277 WeakPolarHBondContact O-CB 3.4Å; G274-R277 PolarHBondContact O-N 3.39Å; W275-R277 VanDerWaalsContact C-N 3.29Å; W275-R277 PolarHBondContact O-N 3.36Å; R277-L606 WeakPolarHBondContact O-CD2 3.36Å
278D77.4Confident86.6Confident7 Ų724.4 Ų24.44%0.03712%0.121CC..Hα-helixtrans-105.3-7.2-172.663.312.7000114.5G274 W275 R280 R282G274-D278 PolarHBondContact O-N 2.87Å; W275-D278 WeakPolarHBondContact CA-OD1 3.3Å; D278-R280 HydrophobicContact CB-CG 4.38Å; D278-R280 PolarHBondContact O-N 3.46Å; D278-R280 PolarHBondContact OD1-N 3.3Å; D278-R280 IonicContact OD2-NH1 3.44Å; D278-R282 VanDerWaalsContact CG-NH1 3.31Å; D278-R282 IonicContact OD1-CZ 3.79Å; D278-R282 IonicContact OD1-NH1 3.82Å; D278-R282 PolarHBondContact OD1-NH1 3.17Å; D278-R282 IonicContact OD1-NH2 2.57Å; D278-R282 PolarHBondContact OD1-NH2 2.91Å; D278-R282 IonicContact OD2-CZ 2.66Å; D278-R282 IonicContact OD2-NH1 3.64Å; D278-R282 PolarHBondContact OD2-NH1 3.4Å; D278-R282 IonicContact OD2-NH2 3.45Å; D278-R282 PolarHBondContact OD2-NH2 3.49Å
279S81.1Confident86.8Confident9 Ų926.6 Ų26.66%0.06313%0.132CC..  trans57.828.8-175.4-173.30000114.2W275 R373W275-S279 WeakPolarHBondContact O-CA 3.24Å; W275-S279 PolarHBondContact O-N 2.78Å; S279-R373 PolarHBondContact OG-N 3.45Å
280R85.4Confident87Confident10 Ų1027.7 Ų27.74%0.03814%0.142CC..  trans-108.5134.4-179-68.5164.259.7-155.44.8111.6T255 W275 D278 R282 A304 H306 L307T255-R280 PolarHBondContact OG1-NH1 2.95Å; W275-R280 VanDerWaalsContact CB-O 3.27Å; W275-R280 WeakPolarHBondContact CB-O 3.27Å; D278-R280 HydrophobicContact CB-CG 4.38Å; D278-R280 PolarHBondContact O-N 3.46Å; D278-R280 PolarHBondContact OD1-N 3.3Å; D278-R280 IonicContact OD2-NH1 3.44Å; R280-R282 PolarHBondContact O-NH1 3.12Å; R280-A304 PolarHBondContact NE-O 3.5Å; R280-A304 PolarHBondContact NH2-O 3.34Å; R280-H306 VanDerWaalsContact CB-O 3.28Å; R280-H306 WeakPolarHBondContact CB-O 3.44Å; R280-H306 WeakPolarHBondContact CG-O 3.15Å; R280-L307 PolarHBondContact NH2-O 3.38Å
281P91.2Very high87.4Confident0 Ų027.8 Ų27.80%014%0.139CC..  trans-62.5162.4170.6-11.223.6000112H306 L307 A308 I337 Y338 S367 L369P281-H306 WeakPolarHBondContact CD-O 3.49Å; P281-L307 HydrophobicContact CB-CD2 3.52Å; P281-L307 HydrophobicContact CG-CD2 3.78Å; P281-A308 PolarHBondContact O-N 2.98Å; P281-I337 HydrophobicContact CB-CG2 4.45Å; P281-Y338 WeakPolarHBondContact CB-O 3.3Å; P281-S367 WeakPolarHBondContact CD-O 3.31Å; P281-S367 WeakPolarHBondContact CG-O 3.38Å; P281-L369 HydrophobicContact CB-CD2 3.96Å; P281-L369 HydrophobicContact CG-CD2 3.87Å; P281-L369 HydrophobicContact CG-CG 4.08Å
282R92.2Very high87.5Confident6 Ų628.1 Ų28.12%0.02314%0.141CC..EExtended strand (participates in β ladder)trans-113.1107-168-63.9-61.5-167.1-122.525.8110F271 G274 W275 D278 R280 A308 Y338F271-R282 HydrophobicContact CE1-CB 3.85Å; F271-R282 HydrophobicContact CE1-CG 4.43Å; F271-R282 HydrophobicContact CZ-CB 4.25Å; F271-R282 PolarHBondContact O-NE 3.31Å; G274-R282 VanDerWaalsContact C-CZ 3.5Å; G274-R282 PolarHBondContact O-NH2 3.04Å; W275-R282 HydrophobicContact CB-CG 4.24Å; W275-R282 VanDerWaalsContact N-CZ 3.3Å; D278-R282 VanDerWaalsContact CG-NH1 3.31Å; D278-R282 IonicContact OD1-CZ 3.79Å; D278-R282 IonicContact OD1-NH1 3.82Å; D278-R282 PolarHBondContact OD1-NH1 3.17Å; D278-R282 IonicContact OD1-NH2 2.57Å; D278-R282 PolarHBondContact OD1-NH2 2.91Å; D278-R282 IonicContact OD2-CZ 2.66Å; D278-R282 IonicContact OD2-NH1 3.64Å; D278-R282 PolarHBondContact OD2-NH1 3.4Å; D278-R282 IonicContact OD2-NH2 3.45Å; D278-R282 PolarHBondContact OD2-NH2 3.49Å; R280-R282 PolarHBondContact O-NH1 3.12Å; R282-A308 VanDerWaalsContact NH1-CB 3.27Å; R282-Y338 PolarHBondContact N-O 3.48Å; R282-Y338 PolarHBondContact O-N 3.03Å
283M93.8Very high87.6Confident1 Ų128.5 Ų28.51%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-91.8128.1177.3178.9176.366.400109.4L285 A308 A309 G310 L335 L336 I337 M363M283-L285 HydrophobicContact CE-CD1 3.92Å; M283-L285 HydrophobicContact CE-CG 4.26Å; M283-L285 HydrophobicContact CG-CD2 4.4Å; M283-L285 HydrophobicContact CG-CG 4.32Å; M283-L285 HydrophobicContact SD-CD2 4.22Å; M283-L285 HydrophobicContact SD-CG 4.42Å; M283-A308 PolarHBondContact N-O 3.26Å; M283-A309 HydrophobicContact CE-CB 3.63Å; M283-A309 CarbonylContact O-C 3.53Å; M283-A309 WeakPolarHBondContact O-CA 3.38Å; M283-G310 PolarHBondContact O-N 3.4Å; M283-L335 HydrophobicContact CG-CD1 3.39Å; M283-L335 HydrophobicContact SD-CD1 3.65Å; M283-L336 CarbonylContact C-O 3.5Å; M283-L336 WeakPolarHBondContact CA-O 3.32Å; M283-I337 HydrophobicContact CG-CG1 4.43Å; M283-M363 HydrophobicContact CE-SD 4.23Å; M283-M363 HydrophobicContact SD-CG 3.89Å; M283-M363 HydrophobicContact SD-SD 4.02Å
284V94Very high88.1Confident0 Ų026.9 Ų26.90%014%0.139CC..EExtended strand (participates in β ladder)trans-115.4122.1175.8179.90000109.1I261 F267 F271 I286 G310 I312 L336 Y338I261-V284 HydrophobicContact CD1-CG2 4.46Å; F267-V284 HydrophobicContact CD2-CG2 4.25Å; F267-V284 HydrophobicContact CE2-CG2 3.59Å; F267-V284 HydrophobicContact CZ-CG2 4.47Å; F271-V284 HydrophobicContact CE1-CG2 3.84Å; V284-I286 HydrophobicContact CG1-CD1 4.32Å; V284-I286 HydrophobicContact CG1-CG1 3.97Å; V284-G310 WeakPolarHBondContact CA-O 3.4Å; V284-I312 HydrophobicContact CG1-CD1 3.44Å; V284-I312 VanDerWaalsContact CG1-CD1 3.44Å; V284-I312 HydrophobicContact CG1-CG1 3.93Å; V284-L336 HydrophobicContact CB-CB 4.32Å; V284-L336 PolarHBondContact N-O 3.46Å; V284-L336 PolarHBondContact O-N 2.77Å; V284-Y338 HydrophobicContact CB-CE2 4.34Å; V284-Y338 HydrophobicContact CG2-CD2 4.04Å; V284-Y338 HydrophobicContact CG2-CE2 3.89Å
285L94.8Very high88.6Confident1 Ų128.3 Ų28.31%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-107.4120.5178.5-63.9170.8000108.8M283 Y296 G310 Y311 I312 L335 L359M283-L285 HydrophobicContact CE-CD1 3.92Å; M283-L285 HydrophobicContact CE-CG 4.26Å; M283-L285 HydrophobicContact CG-CD2 4.4Å; M283-L285 HydrophobicContact CG-CG 4.32Å; M283-L285 HydrophobicContact SD-CD2 4.22Å; M283-L285 HydrophobicContact SD-CG 4.42Å; L285-Y296 HydrophobicContact CB-CD2 3.76Å; L285-Y296 HydrophobicContact CB-CE2 3.78Å; L285-Y296 HydrophobicContact CB-CG 4.45Å; L285-Y296 HydrophobicContact CD1-CD1 4.31Å; L285-Y296 HydrophobicContact CD1-CD2 3.89Å; L285-Y296 HydrophobicContact CD1-CG 3.76Å; L285-Y296 HydrophobicContact CD2-CD1 4.43Å; L285-Y296 HydrophobicContact CD2-CD2 4.49Å; L285-Y296 HydrophobicContact CD2-CE1 4.36Å; L285-Y296 HydrophobicContact CD2-CE2 4.41Å; L285-Y296 HydrophobicContact CG-CD2 4.27Å; L285-Y296 HydrophobicContact CG-CE2 4.48Å; L285-Y296 HydrophobicContact CG-CG 4.49Å; L285-G310 PolarHBondContact N-O 3.09Å; L285-Y311 HydrophobicContact CB-CD2 4.22Å; L285-Y311 WeakPolarHBondContact O-CA 3.44Å; L285-Y311 VanDerWaalsContact O-CD2 3.32Å; L285-Y311 WeakPolarHBondContact O-CD2 3.12Å; L285-I312 PolarHBondContact O-N 2.96Å; L285-L335 HydrophobicContact CD2-CB 4.48Å; L285-L335 HydrophobicContact CD2-CD1 3.74Å; L285-L359 HydrophobicContact CD2-CD2 4.44Å
286I93.1Very high89Confident0 Ų028 Ų280%014%0.14CC..EExtended strand (participates in β ladder)trans-114.8132.8-177.3-43.6-172.6000109.1V284 I312 F322 V328 T334 L336V284-I286 HydrophobicContact CG1-CD1 4.32Å; V284-I286 HydrophobicContact CG1-CG1 3.97Å; I286-I312 WeakPolarHBondContact CA-O 3.49Å; I286-I312 HydrophobicContact CD1-CD1 4.39Å; I286-I312 HydrophobicContact CG1-CB 4.15Å; I286-I312 HydrophobicContact CG2-CB 4.27Å; I286-I312 HydrophobicContact CG2-CG2 4.18Å; I286-F322 HydrophobicContact CD1-CE1 4.05Å; I286-V328 HydrophobicContact CD1-CG1 4.32Å; I286-V328 HydrophobicContact CD1-CG2 4.21Å; I286-T334 VanDerWaalsContact CB-OG1 3.29Å; I286-T334 WeakPolarHBondContact CB-OG1 3.4Å; I286-T334 WeakPolarHBondContact CD1-OG1 3.2Å; I286-T334 WeakPolarHBondContact CG1-OG1 3.45Å; I286-T334 PolarHBondContact N-O 2.65Å; I286-T334 PolarHBondContact O-N 3.33Å; I286-T334 VanDerWaalsContact O-N 3.14Å; I286-L336 HydrophobicContact CD1-CD1 4.04Å
287K91.8Very high89.7Confident31 Ų3126.8 Ų26.814%0.13514%0.135CC..EExtended strand (participates in β ladder)trans-156.1148.7174.2-170.1177.8-177.7-170.30110.7L289 P293 R295 Y296 Y311 I312 N313 S314 E333K287-L289 HydrophobicContact CD-CB 4.48Å; K287-L289 HydrophobicContact CD-CD1 3.79Å; K287-L289 HydrophobicContact CD-CG 4.09Å; K287-L289 HydrophobicContact CG-CG 4.31Å; K287-L289 PolarHBondContact O-N 3.48Å; K287-P293 HydrophobicContact CD-CG 4.05Å; K287-R295 VanDerWaalsContact CE-NH2 3.32Å; K287-Y296 HydrophobicContact CB-CE2 4.24Å; K287-Y311 HydrophobicContact CB-CE2 4.08Å; K287-Y311 PolarHBondContact O-OH 3.22Å; K287-I312 PolarHBondContact N-O 2.95Å; K287-N313 WeakPolarHBondContact O-CA 3.23Å; K287-S314 PolarHBondContact O-N 3.32Å; K287-E333 HydrophobicContact CD-CG 4.17Å; K287-E333 WeakPolarHBondContact CE-OE1 3.5Å; K287-E333 HydrophobicContact CG-CG 4.05Å; K287-E333 IonicContact NZ-OE1 3.99Å
288P88.9Confident90.5Very high28 Ų2821.2 Ų21.218%0.18211%0.114CC..SBendtrans-74.560.6172.230.7-37.8000111.6S314 E315P288-S314 WeakPolarHBondContact CA-OG 3.34Å; P288-S314 VanDerWaalsContact CB-OG 3.32Å; P288-S314 WeakPolarHBondContact CB-OG 3.47Å; P288-S314 WeakPolarHBondContact CD-OG 3.47Å; P288-S314 VanDerWaalsContact N-OG 3.07Å; P288-E315 HydrophobicContact CB-CG 3.54Å
289L89.7Confident91.1Very high73 Ų7321 Ų2138%0.38211%0.114SC..SBendtrans-142.9146.4174-72.2-177.4000110K287 Y311 N313K287-L289 HydrophobicContact CD-CB 4.48Å; K287-L289 HydrophobicContact CD-CD1 3.79Å; K287-L289 HydrophobicContact CD-CG 4.09Å; K287-L289 HydrophobicContact CG-CG 4.31Å; K287-L289 PolarHBondContact O-N 3.48Å; L289-Y311 WeakPolarHBondContact CB-OH 3.35Å; L289-Y311 VanDerWaalsContact O-CE1 3.3Å; L289-Y311 WeakPolarHBondContact O-CE1 3.29Å; L289-Y311 PolarHBondContact O-OH 3.02Å; L289-N313 PolarHBondContact N-OD1 3.2Å; L289-N313 WeakPolarHBondContact O-CB 3.39Å
290T87.8Confident91.5Very high111 Ų11120.7 Ų20.768%0.68111%0.112SC*.SBendtrans-67-36.8178.253.40000113
291L90.2Very high91.7Very high85 Ų8520.7 Ų20.745%0.44511%0.112SC..SBendtrans-115.1144.4178.8-77.1127.7000111.1Y311L291-Y311 PolarHBondContact O-OH 3.36Å
292P92.7Very high91.4Very high11 Ų1123.2 Ų23.27%0.07112%0.122CC..  trans-61.3135.317525.6-33000110.1R231 M235 I258 Y311R231-P292 WeakPolarHBondContact CD-O 3.32Å; M235-P292 HydrophobicContact CE-CG 4.16Å; M235-P292 HydrophobicContact SD-CG 4Å; I258-P292 HydrophobicContact CD1-CB 3.97Å; I258-P292 HydrophobicContact CD1-CG 4.15Å; P292-Y311 HydrophobicContact CB-CD1 4.48Å; P292-Y311 HydrophobicContact CB-CD2 3.95Å; P292-Y311 HydrophobicContact CB-CE2 4.12Å; P292-Y311 HydrophobicContact CB-CG 4.13Å
293P92.7Very high91Very high13 Ų1323.1 Ų23.18%0.08412%0.122CC..  trans-66.4153.917529.7-35.9000110.3K287 R295 Y296 C297K287-P293 HydrophobicContact CD-CG 4.05Å; P293-R295 HydrophobicContact CB-CG 4.16Å; P293-R295 HydrophobicContact CG-CG 4Å; P293-R295 PolarHBondContact O-N 3.12Å; P293-R295 VanDerWaalsContact O-N 3.08Å; P293-Y296 HydrophobicContact CG-CD1 4.13Å; P293-Y296 HydrophobicContact CG-CD2 3.64Å; P293-Y296 HydrophobicContact CG-CE1 4.5Å; P293-Y296 HydrophobicContact CG-CE2 4.07Å; P293-Y296 HydrophobicContact CG-CG 3.67Å; P293-Y296 WeakPolarHBondContact O-CB 3.43Å; P293-Y296 PolarHBondContact O-N 3.31Å; P293-C297 PolarHBondContact O-N 2.9Å
294L93.2Very high90.5Very high17 Ų1723.1 Ų23.19%0.08912%0.123CC..Hα-helixtrans-52.8-38.1-177.5177.159000113.3L175 I180 I227 L230 R231 I234 Y296 C297 V298L175-L294 HydrophobicContact CD2-CD2 3.62Å; I180-L294 HydrophobicContact CD1-CD1 4.39Å; I180-L294 HydrophobicContact CD1-CD2 3.85Å; I180-L294 HydrophobicContact CD1-CG 4.22Å; I227-L294 HydrophobicContact CG2-CD2 4.2Å; L230-L294 HydrophobicContact CD2-CD1 3.3Å; L230-L294 HydrophobicContact CD2-CD2 3.85Å; L230-L294 HydrophobicContact CD2-CG 4.19Å; R231-L294 HydrophobicContact CB-CD1 4.28Å; I234-L294 HydrophobicContact CD1-CD1 3.94Å; L294-Y296 PolarHBondContact O-N 3.42Å; L294-C297 HydrophobicContact CD1-CB 4.46Å; L294-C297 WeakPolarHBondContact O-CB 3.41Å; L294-C297 PolarHBondContact O-N 3.14Å; L294-C297 VanDerWaalsContact O-N 3.12Å; L294-V298 HydrophobicContact CD1-CG2 4.01Å; L294-V298 HydrophobicContact CG-CG2 4.28Å; L294-V298 WeakPolarHBondContact O-CG2 3.44Å; L294-V298 PolarHBondContact O-N 3.33Å
295R91.9Very high89.6Confident40 Ų4026.2 Ų26.215%0.15114%0.139CC..Hα-helixtrans-56.2-36.7175.564.7173.5176.9-73.9-8.7113.6L178 K287 P293 A299 E333L178-R295 HydrophobicContact CD2-CB 4.08Å; K287-R295 VanDerWaalsContact CE-NH2 3.32Å; P293-R295 HydrophobicContact CB-CG 4.16Å; P293-R295 HydrophobicContact CG-CG 4Å; P293-R295 PolarHBondContact O-N 3.12Å; P293-R295 VanDerWaalsContact O-N 3.08Å; R295-A299 VanDerWaalsContact O-CB 3.29Å; R295-A299 WeakPolarHBondContact O-CB 3.39Å; R295-A299 PolarHBondContact O-N 2.84Å; R295-E333 IonicContact CZ-OE1 3.78Å; R295-E333 IonicContact CZ-OE2 3.61Å; R295-E333 IonicContact NE-OE2 3.49Å; R295-E333 PolarHBondContact NE-OE2 3.48Å; R295-E333 IonicContact NH2-OE1 3.26Å; R295-E333 PolarHBondContact NH2-OE1 3.47Å; R295-E333 IonicContact NH2-OE2 3.96Å; R295-E333 PolarHBondContact NH2-OE2 3.27Å
296Y93.5Very high88.8Confident0 Ų029.2 Ų29.20%015%0.153CC..Hα-helixtrans-75.7-38.6178.4-74.21.1000110.4L285 K287 P293 L294 V298 A299 A300 Y311 E333 L359L285-Y296 HydrophobicContact CB-CD2 3.76Å; L285-Y296 HydrophobicContact CB-CE2 3.78Å; L285-Y296 HydrophobicContact CB-CG 4.45Å; L285-Y296 HydrophobicContact CD1-CD1 4.31Å; L285-Y296 HydrophobicContact CD1-CD2 3.89Å; L285-Y296 HydrophobicContact CD1-CG 3.76Å; L285-Y296 HydrophobicContact CD2-CD1 4.43Å; L285-Y296 HydrophobicContact CD2-CD2 4.49Å; L285-Y296 HydrophobicContact CD2-CE1 4.36Å; L285-Y296 HydrophobicContact CD2-CE2 4.41Å; L285-Y296 HydrophobicContact CG-CD2 4.27Å; L285-Y296 HydrophobicContact CG-CE2 4.48Å; L285-Y296 HydrophobicContact CG-CG 4.49Å; K287-Y296 HydrophobicContact CB-CE2 4.24Å; P293-Y296 HydrophobicContact CG-CD1 4.13Å; P293-Y296 HydrophobicContact CG-CD2 3.64Å; P293-Y296 HydrophobicContact CG-CE1 4.5Å; P293-Y296 HydrophobicContact CG-CE2 4.07Å; P293-Y296 HydrophobicContact CG-CG 3.67Å; P293-Y296 WeakPolarHBondContact O-CB 3.43Å; P293-Y296 PolarHBondContact O-N 3.31Å; L294-Y296 PolarHBondContact O-N 3.42Å; Y296-V298 VanDerWaalsContact C-N 3.33Å; Y296-V298 PolarHBondContact O-N 3.09Å; Y296-A299 PolarHBondContact O-N 2.94Å; Y296-A300 WeakPolarHBondContact O-CB 3.14Å; Y296-A300 PolarHBondContact O-N 3.36Å; Y296-Y311 HydrophobicContact CD2-CD2 4.12Å; Y296-Y311 AromaticContact CD2-CE2 3.98Å; Y296-Y311 HydrophobicContact CD2-CE2 3.98Å; Y296-Y311 HydrophobicContact CE2-CE2 4.16Å; Y296-E333 WeakPolarHBondContact OH-CB 3.35Å; Y296-E333 PolarHBondContact OH-OE2 2.75Å; Y296-L359 HydrophobicContact CD1-CD1 4.11Å; Y296-L359 HydrophobicContact CE1-CD1 4.13Å
297C92.5Very high88.5Confident0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-59.1-44.8172.8-56.20000111.4I234 M235 P293 L294 F301I234-C297 HydrophobicContact CG2-CB 3.93Å; M235-C297 HydrophobicContact SD-CB 4.43Å; P293-C297 PolarHBondContact O-N 2.9Å; L294-C297 HydrophobicContact CD1-CB 4.46Å; L294-C297 WeakPolarHBondContact O-CB 3.41Å; L294-C297 PolarHBondContact O-N 3.14Å; L294-C297 VanDerWaalsContact O-N 3.12Å; C297-F301 VanDerWaalsContact O-CB 3.28Å; C297-F301 WeakPolarHBondContact O-CB 3.48Å; C297-F301 PolarHBondContact O-N 2.82Å
298V91.6Very high88.4Confident2 Ų228.1 Ų28.11%0.01215%0.149CC..Hα-helixtrans-68.2-43.9178177.80000111.5L178 I180 I234 L294 Y296 F301 R302L178-V298 WeakPolarHBondContact O-CG1 3.16Å; I180-V298 HydrophobicContact CD1-CG2 3.77Å; I180-V298 HydrophobicContact CG1-CG2 3.81Å; I234-V298 HydrophobicContact CD1-CG2 3.86Å; L294-V298 HydrophobicContact CD1-CG2 4.01Å; L294-V298 HydrophobicContact CG-CG2 4.28Å; L294-V298 WeakPolarHBondContact O-CG2 3.44Å; L294-V298 PolarHBondContact O-N 3.33Å; Y296-V298 VanDerWaalsContact C-N 3.33Å; Y296-V298 PolarHBondContact O-N 3.09Å; V298-F301 PolarHBondContact O-N 2.89Å; V298-R302 WeakPolarHBondContact O-CG 3.41Å; V298-R302 PolarHBondContact O-N 2.85Å
299A90.2Very high88.6Confident4 Ų427 Ų273%0.03314%0.142CC..Hα-helixtrans-60.8-46.3176.100000111.6R295 Y296 F301 R302 A303 L359 M363R295-A299 VanDerWaalsContact O-CB 3.29Å; R295-A299 WeakPolarHBondContact O-CB 3.39Å; R295-A299 PolarHBondContact O-N 2.84Å; Y296-A299 PolarHBondContact O-N 2.94Å; A299-F301 VanDerWaalsContact C-N 3.33Å; A299-F301 PolarHBondContact O-N 3.47Å; A299-R302 PolarHBondContact O-N 3.1Å; A299-A303 WeakPolarHBondContact O-CB 3.38Å; A299-A303 PolarHBondContact O-N 3.38Å; A299-L359 HydrophobicContact CB-CD1 4.18Å; A299-M363 HydrophobicContact CB-CE 3.88Å; A299-M363 HydrophobicContact CB-SD 4.04Å
300A90.1Very high88.7Confident2 Ų223.5 Ų23.52%0.01712%0.124CC..Hα-helixtrans-61.7-39.9174.900000112L257 I258 Y296 A303 A304 A309L257-A300 HydrophobicContact CD1-CB 4.3Å; L257-A300 HydrophobicContact CG-CB 4.19Å; I258-A300 HydrophobicContact CD1-CB 3.83Å; I258-A300 HydrophobicContact CG1-CB 3.59Å; Y296-A300 WeakPolarHBondContact O-CB 3.14Å; Y296-A300 PolarHBondContact O-N 3.36Å; A300-A303 CarbonylContact O-C 3.56Å; A300-A303 PolarHBondContact O-N 3.35Å; A300-A304 WeakPolarHBondContact O-CA 3.41Å; A300-A304 WeakPolarHBondContact O-CB 3.39Å; A300-A304 PolarHBondContact O-N 2.88Å; A300-A309 HydrophobicContact CB-CB 3.69Å
301F88.8Confident89Confident9 Ų918.6 Ų18.64%0.0399%0.093CC..Hα-helixtrans-61.9-44.4176.6-176.7-107.1000111.9R145 V209 D210 I234 L257 C297 V298 A299 A303 A304R145-F301 VanDerWaalsContact O-CZ 3.31Å; R145-F301 WeakPolarHBondContact O-CZ 3.26Å; V209-F301 HydrophobicContact CG1-CD2 4.14Å; V209-F301 HydrophobicContact CG1-CE1 4.14Å; V209-F301 HydrophobicContact CG1-CE2 3.43Å; V209-F301 VanDerWaalsContact CG1-CE2 3.43Å; V209-F301 HydrophobicContact CG1-CZ 3.43Å; V209-F301 VanDerWaalsContact CG1-CZ 3.43Å; D210-F301 HydrophobicContact CB-CE2 4.49Å; D210-F301 HydrophobicContact CB-CZ 4.33Å; I234-F301 HydrophobicContact CG2-CB 4.08Å; I234-F301 HydrophobicContact CG2-CG 4.43Å; L257-F301 HydrophobicContact CD1-CB 4.3Å; L257-F301 HydrophobicContact CD1-CD2 4.44Å; L257-F301 HydrophobicContact CD2-CB 4.26Å; C297-F301 VanDerWaalsContact O-CB 3.28Å; C297-F301 WeakPolarHBondContact O-CB 3.48Å; C297-F301 PolarHBondContact O-N 2.82Å; V298-F301 PolarHBondContact O-N 2.89Å; A299-F301 VanDerWaalsContact C-N 3.33Å; A299-F301 PolarHBondContact O-N 3.47Å; F301-A303 VanDerWaalsContact C-N 3.35Å; F301-A303 PolarHBondContact O-N 3.43Å; F301-A304 VanDerWaalsContact O-CB 3.29Å; F301-A304 WeakPolarHBondContact O-CB 3.4Å; F301-A304 PolarHBondContact O-N 3.05Å
302R85.4Confident89.1Confident53 Ų5314.6 Ų14.620%0.27%0.072CC..Hα-helixtrans-64.8-38.7175.4-71.8-178.3-173.9141.715.6113.4L178 G179 V298 A299 A304 D360L178-R302 PolarHBondContact O-NH2 3.31Å; G179-R302 PolarHBondContact O-NH2 3.46Å; V298-R302 WeakPolarHBondContact O-CG 3.41Å; V298-R302 PolarHBondContact O-N 2.85Å; A299-R302 PolarHBondContact O-N 3.1Å; R302-A304 VanDerWaalsContact C-N 3.29Å; R302-D360 IonicContact NH1-OD1 3.76Å; R302-D360 IonicContact NH1-OD2 2.69Å; R302-D360 PolarHBondContact NH1-OD2 3Å
303A84.7Confident89Confident4 Ų415 Ų153%0.0337%0.074CC..Hα-helixtrans-86.2-1.3-177.400000113.1A299 A300 F301 D305 H306 L307 M363A299-A303 WeakPolarHBondContact O-CB 3.38Å; A299-A303 PolarHBondContact O-N 3.38Å; A300-A303 CarbonylContact O-C 3.56Å; A300-A303 PolarHBondContact O-N 3.35Å; F301-A303 VanDerWaalsContact C-N 3.35Å; F301-A303 PolarHBondContact O-N 3.43Å; A303-D305 PolarHBondContact O-N 2.84Å; A303-H306 PolarHBondContact O-N 3.07Å; A303-L307 HydrophobicContact CB-CB 4.11Å; A303-L307 HydrophobicContact CB-CD1 4.22Å; A303-L307 PolarHBondContact O-N 3.11Å; A303-L307 VanDerWaalsContact O-O 3.11Å; A303-M363 HydrophobicContact CB-CB 4.48Å; A303-M363 HydrophobicContact CB-CG 4.32Å; A303-M363 HydrophobicContact CB-SD 3.59Å; A303-M363 VanDerWaalsContact CB-SD 3.59Å
304A82.2Confident88.7Confident2 Ų215 Ų152%0.0177%0.074CC..THydrogen-bonded Turntrans-58.5-26.3-171.200000114.1P239 L257 R280 A300 F301 R302 H306P239-A304 HydrophobicContact CB-CB 3.72Å; P239-A304 HydrophobicContact CG-CB 3.96Å; L257-A304 HydrophobicContact CD1-CB 4.13Å; R280-A304 PolarHBondContact NE-O 3.5Å; R280-A304 PolarHBondContact NH2-O 3.34Å; A300-A304 WeakPolarHBondContact O-CA 3.41Å; A300-A304 WeakPolarHBondContact O-CB 3.39Å; A300-A304 PolarHBondContact O-N 2.88Å; F301-A304 VanDerWaalsContact O-CB 3.29Å; F301-A304 WeakPolarHBondContact O-CB 3.4Å; F301-A304 PolarHBondContact O-N 3.05Å; R302-A304 VanDerWaalsContact C-N 3.29Å; A304-H306 VanDerWaalsContact C-N 3.34Å
305D76.5Confident88.1Confident65 Ų6520.8 Ų20.835%0.34810%0.101SC..THydrogen-bonded Turntrans-76.1-21.6178.1-68.6-22000113.1A303A303-D305 PolarHBondContact O-N 2.84Å
306H78.1Confident87.5Confident63 Ų6321.6 Ų21.629%0.29211%0.11SC..THydrogen-bonded Turntrans-126.2-30.8-169.2-52.6-46.9000114R280 P281 A303 A304 Y395R280-H306 VanDerWaalsContact CB-O 3.28Å; R280-H306 WeakPolarHBondContact CB-O 3.44Å; R280-H306 WeakPolarHBondContact CG-O 3.15Å; P281-H306 WeakPolarHBondContact CD-O 3.49Å; A303-H306 PolarHBondContact O-N 3.07Å; A304-H306 VanDerWaalsContact C-N 3.34Å; H306-Y395 AromaticContact CD2-CD2 3.7Å; H306-Y395 AromaticContact CD2-CE1 3.74Å; H306-Y395 AromaticContact CD2-CE2 3.38Å; H306-Y395 WeakPolarHBondContact CD2-CE2 3.14Å; H306-Y395 AromaticContact CD2-CZ 3.42Å; H306-Y395 VanDerWaalsContact CD2-CZ 3.42Å; H306-Y395 AromaticContact NE2-CD2 3.55Å; H306-Y395 AromaticContact NE2-CE2 3.26Å; H306-Y395 VanDerWaalsContact NE2-CE2 3.26Å; H306-Y395 WeakPolarHBondContact NE2-CE2 3.44Å; H306-Y395 AromaticContact NE2-CZ 3.8Å
307L86.9Confident86.4Confident3 Ų324.7 Ų24.72%0.01614%0.142CC..  trans-127.2135.8-176.6-71.8165.8000110.2R280 P281 A303 I337 M363R280-L307 PolarHBondContact NH2-O 3.38Å; P281-L307 HydrophobicContact CB-CD2 3.52Å; P281-L307 HydrophobicContact CG-CD2 3.78Å; A303-L307 HydrophobicContact CB-CB 4.11Å; A303-L307 HydrophobicContact CB-CD1 4.22Å; A303-L307 PolarHBondContact O-N 3.11Å; A303-L307 VanDerWaalsContact O-O 3.11Å; L307-I337 HydrophobicContact CD2-CG2 4.4Å; L307-M363 HydrophobicContact CD1-CB 3.76Å; L307-M363 HydrophobicContact CD1-CG 3.9Å; L307-M363 WeakPolarHBondContact CD1-O 3.49Å
308A89.2Confident85.4Confident5 Ų528.1 Ų28.14%0.04117%0.166CC..EExtended strand (participates in β ladder)trans-92.8132.6169.300000109.9P281 R282 M283P281-A308 PolarHBondContact O-N 2.98Å; R282-A308 VanDerWaalsContact NH1-CB 3.27Å; M283-A308 PolarHBondContact N-O 3.26Å
309A92.4Very high84.6Confident4 Ų428 Ų283%0.03317%0.165CC..EExtended strand (participates in β ladder)trans-100.2133.3-17600000111.7I258 Q259 M283 A300I258-A309 WeakPolarHBondContact CA-O 3.49Å; I258-A309 HydrophobicContact CG1-CB 4.06Å; Q259-A309 PolarHBondContact N-O 3.05Å; M283-A309 HydrophobicContact CE-CB 3.63Å; M283-A309 CarbonylContact O-C 3.53Å; M283-A309 WeakPolarHBondContact O-CA 3.38Å; A300-A309 HydrophobicContact CB-CB 3.69Å
310G92.5Very high83.8Confident0 Ų034.6 Ų34.60%019%0.19CC..EExtended strand (participates in β ladder)trans-118146.4171.700000109.5Q259 F271 M283 V284 L285Q259-G310 CarbonylContact O-C 3.6Å; Q259-G310 VanDerWaalsContact O-CA 3.27Å; Q259-G310 WeakPolarHBondContact O-CA 3.15Å; F271-G310 VanDerWaalsContact CZ-CA 3.48Å; M283-G310 PolarHBondContact O-N 3.4Å; V284-G310 WeakPolarHBondContact CA-O 3.4Å; L285-G310 PolarHBondContact N-O 3.09Å
311Y94Very high83.1Confident9 Ų940.2 Ų40.24%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-125.3131.4179.8-178.8-100000111.3I258 Q259 I261 L285 K287 L289 L291 P292 Y296I258-Y311 HydrophobicContact CG2-CG 4.43Å; Q259-Y311 PolarHBondContact O-N 3.38Å; I261-Y311 PolarHBondContact N-O 2.94Å; L285-Y311 HydrophobicContact CB-CD2 4.22Å; L285-Y311 WeakPolarHBondContact O-CA 3.44Å; L285-Y311 VanDerWaalsContact O-CD2 3.32Å; L285-Y311 WeakPolarHBondContact O-CD2 3.12Å; K287-Y311 HydrophobicContact CB-CE2 4.08Å; K287-Y311 PolarHBondContact O-OH 3.22Å; L289-Y311 WeakPolarHBondContact CB-OH 3.35Å; L289-Y311 VanDerWaalsContact O-CE1 3.3Å; L289-Y311 WeakPolarHBondContact O-CE1 3.29Å; L289-Y311 PolarHBondContact O-OH 3.02Å; L291-Y311 PolarHBondContact O-OH 3.36Å; P292-Y311 HydrophobicContact CB-CD1 4.48Å; P292-Y311 HydrophobicContact CB-CD2 3.95Å; P292-Y311 HydrophobicContact CB-CE2 4.12Å; P292-Y311 HydrophobicContact CB-CG 4.13Å; Y296-Y311 HydrophobicContact CD2-CD2 4.12Å; Y296-Y311 AromaticContact CD2-CE2 3.98Å; Y296-Y311 HydrophobicContact CD2-CE2 3.98Å; Y296-Y311 HydrophobicContact CE2-CE2 4.16Å
312I91.9Very high82.6Confident0 Ų039.8 Ų39.80%022%0.218CC..EExtended strand (participates in β ladder)trans-120.7126.2179.3-64.9175.9000108.5I261 V284 L285 I286 K287 N319 F322I261-I312 HydrophobicContact CB-CD1 4.37Å; I261-I312 HydrophobicContact CB-CG1 3.72Å; I261-I312 HydrophobicContact CD1-CD1 4.44Å; I261-I312 HydrophobicContact CD1-CG1 4.18Å; I261-I312 HydrophobicContact CG2-CD1 4.11Å; I261-I312 HydrophobicContact CG2-CG1 3.95Å; V284-I312 HydrophobicContact CG1-CD1 3.44Å; V284-I312 VanDerWaalsContact CG1-CD1 3.44Å; V284-I312 HydrophobicContact CG1-CG1 3.93Å; L285-I312 PolarHBondContact O-N 2.96Å; I286-I312 WeakPolarHBondContact CA-O 3.49Å; I286-I312 HydrophobicContact CD1-CD1 4.39Å; I286-I312 HydrophobicContact CG1-CB 4.15Å; I286-I312 HydrophobicContact CG2-CB 4.27Å; I286-I312 HydrophobicContact CG2-CG2 4.18Å; K287-I312 PolarHBondContact N-O 2.95Å; I312-N319 HydrophobicContact CG2-CB 4Å; I312-F322 HydrophobicContact CD1-CD1 3.65Å; I312-F322 HydrophobicContact CD1-CD2 4.35Å; I312-F322 HydrophobicContact CD1-CE1 3.31Å; I312-F322 HydrophobicContact CD1-CE2 4.07Å; I312-F322 HydrophobicContact CD1-CG 4.18Å; I312-F322 HydrophobicContact CD1-CZ 3.56Å
313N91Very high82.4Confident20 Ų2037.7 Ų37.711%0.10721%0.211CC..EExtended strand (participates in β ladder)trans-82.8119.9166.7178.99.4000109.5K287 L289 E315 T316 N319K287-N313 WeakPolarHBondContact O-CA 3.23Å; L289-N313 PolarHBondContact N-OD1 3.2Å; L289-N313 WeakPolarHBondContact O-CB 3.39Å; N313-E315 PolarHBondContact OD1-N 3.13Å; N313-T316 VanDerWaalsContact CB-OG1 3.28Å; N313-T316 WeakPolarHBondContact CB-OG1 3.44Å; N313-T316 PolarHBondContact O-OG1 3.25Å; N313-N319 PolarHBondContact O-ND2 2.82Å
314S85.3Confident82.2Confident12 Ų1244.2 Ų44.28%0.08424%0.239CC..SBendtrans-74.3-22.7-179.953.90000114.1K287 P288 P330K287-S314 PolarHBondContact O-N 3.32Å; P288-S314 WeakPolarHBondContact CA-OG 3.34Å; P288-S314 VanDerWaalsContact CB-OG 3.32Å; P288-S314 WeakPolarHBondContact CB-OG 3.47Å; P288-S314 WeakPolarHBondContact CD-OG 3.47Å; P288-S314 VanDerWaalsContact N-OG 3.07Å; S314-P330 PolarHBondContact OG-O 3.47Å
315E81.5Confident82.1Confident140 Ų14049.9 Ų49.965%0.65426%0.263SS*.SBendtrans-77.4-22.9-179.6-65.2-178.8159.700112.9P288 N313 G317P288-E315 HydrophobicContact CB-CG 3.54Å; N313-E315 PolarHBondContact OD1-N 3.13Å; E315-G317 PolarHBondContact O-N 3.32Å
316T79.5Confident82.4Confident56 Ų5647.4 Ų47.434%0.34425%0.249SC..SBendtrans-68.7123.5179.311.30000111.5N313 S318 N319N313-T316 VanDerWaalsContact CB-OG1 3.28Å; N313-T316 WeakPolarHBondContact CB-OG1 3.44Å; N313-T316 PolarHBondContact O-OG1 3.25Å; T316-S318 VanDerWaalsContact C-N 3.27Å; T316-S318 PolarHBondContact O-N 3.37Å; T316-N319 PolarHBondContact O-N 3Å; T316-N319 PolarHBondContact OG1-ND2 3.43Å
317G70.7Confident82.7Confident65 Ų6551.1 Ų51.167%0.6727%0.271SS*.G310 helixtrans-56.1-33.4-177.100000115E315 N319 Y320E315-G317 PolarHBondContact O-N 3.32Å; G317-N319 PolarHBondContact O-N 2.8Å; G317-Y320 WeakPolarHBondContact O-CB 3.48Å; G317-Y320 PolarHBondContact O-N 3.04Å; G317-Y320 VanDerWaalsContact O-N 3.09Å
318S71.7Confident82.7Confident72 Ų7251.3 Ų51.350%0.50327%0.273SS..G310 helixtrans-60.5-34.5176.6-50.40000112.9N262 D263 T316 Y320N262-S318 VanDerWaalsContact O-CB 3.28Å; N262-S318 WeakPolarHBondContact O-CB 3.49Å; D263-S318 WeakPolarHBondContact OD1-CB 3.4Å; T316-S318 VanDerWaalsContact C-N 3.27Å; T316-S318 PolarHBondContact O-N 3.37Å; S318-Y320 VanDerWaalsContact C-N 3.28Å; S318-Y320 PolarHBondContact O-N 3.39Å
319N74.7Confident82.6Confident1 Ų154.3 Ų54.31%0.00529%0.288CS..G310 helixtrans-80.5-6179.6-74.3-36.7000113.2I261 N262 I312 N313 T316 G317 N321 F322 V323I261-N319 PolarHBondContact O-ND2 2.66Å; N262-N319 PolarHBondContact O-OD1 3.26Å; I312-N319 HydrophobicContact CG2-CB 4Å; N313-N319 PolarHBondContact O-ND2 2.82Å; T316-N319 PolarHBondContact O-N 3Å; T316-N319 PolarHBondContact OG1-ND2 3.43Å; G317-N319 PolarHBondContact O-N 2.8Å; N319-N321 VanDerWaalsContact C-N 3.26Å; N319-N321 PolarHBondContact O-N 3.04Å; N319-F322 WeakPolarHBondContact O-CA 3.48Å; N319-F322 WeakPolarHBondContact O-CB 3.35Å; N319-F322 PolarHBondContact O-N 3.48Å; N319-V323 WeakPolarHBondContact O-CG2 3.37Å; N319-V323 PolarHBondContact O-N 2.82Å
320Y72.3Confident82.2Confident142 Ų14256.7 Ų56.756%0.55730%0.303SS*.Hα-helixtrans-57.1-40.4-179.6-178.1-103.9000112.2G317 S318 F322 V323 K324G317-Y320 WeakPolarHBondContact O-CB 3.48Å; G317-Y320 PolarHBondContact O-N 3.04Å; G317-Y320 VanDerWaalsContact O-N 3.09Å; S318-Y320 VanDerWaalsContact C-N 3.28Å; S318-Y320 PolarHBondContact O-N 3.39Å; Y320-F322 VanDerWaalsContact C-N 3.33Å; Y320-F322 PolarHBondContact O-N 3.1Å; Y320-V323 PolarHBondContact O-N 3.43Å; Y320-K324 HydrophobicContact CE1-CD 4.1Å; Y320-K324 WeakPolarHBondContact O-CB 3.44Å; Y320-K324 PolarHBondContact O-N 3.36Å
321N75.3Confident81.9Confident119 Ų11963 Ų6364%0.63634%0.336SS*.Hα-helixtrans-63.5-39.9176.6-72.5-22.1000111.9N319 K325N319-N321 VanDerWaalsContact C-N 3.26Å; N319-N321 PolarHBondContact O-N 3.04Å; N321-K325 WeakPolarHBondContact O-CB 3.34Å; N321-K325 PolarHBondContact O-N 3.43Å
322F78.3Confident81.7Confident1 Ų165.2 Ų65.20%0.00435%0.347CS..Hα-helixtrans-65.5-52.5176.9-173.4-79.6000110.9Y264 F267 I286 I312 N319 Y320 K324 K325 F326Y264-F322 AromaticContact CD2-CD2 3.69Å; Y264-F322 HydrophobicContact CD2-CD2 3.69Å; Y264-F322 HydrophobicContact CD2-CE2 4.15Å; Y264-F322 HydrophobicContact CG-CD2 4.5Å; F267-F322 HydrophobicContact CB-CD2 4.5Å; F267-F322 HydrophobicContact CB-CE2 4.03Å; F267-F322 AromaticContact CD1-CE2 3.62Å; F267-F322 HydrophobicContact CD1-CE2 3.62Å; F267-F322 HydrophobicContact CD1-CZ 4.42Å; F267-F322 HydrophobicContact CD2-CE2 4.17Å; F267-F322 HydrophobicContact CD2-CZ 4.49Å; F267-F322 HydrophobicContact CE1-CE2 4.07Å; F267-F322 AromaticContact CG-CE2 3.66Å; F267-F322 HydrophobicContact CG-CE2 3.66Å; F267-F322 HydrophobicContact CG-CZ 4.4Å; I286-F322 HydrophobicContact CD1-CE1 4.05Å; I312-F322 HydrophobicContact CD1-CD1 3.65Å; I312-F322 HydrophobicContact CD1-CD2 4.35Å; I312-F322 HydrophobicContact CD1-CE1 3.31Å; I312-F322 HydrophobicContact CD1-CE2 4.07Å; I312-F322 HydrophobicContact CD1-CG 4.18Å; I312-F322 HydrophobicContact CD1-CZ 3.56Å; N319-F322 WeakPolarHBondContact O-CA 3.48Å; N319-F322 WeakPolarHBondContact O-CB 3.35Å; N319-F322 PolarHBondContact O-N 3.48Å; Y320-F322 VanDerWaalsContact C-N 3.33Å; Y320-F322 PolarHBondContact O-N 3.1Å; F322-K324 VanDerWaalsContact C-N 3.31Å; F322-K324 PolarHBondContact O-N 3.25Å; F322-K325 PolarHBondContact O-N 3.13Å; F322-F326 AromaticContact CD1-CD2 3.83Å; F322-F326 HydrophobicContact CD1-CD2 3.83Å; F322-F326 HydrophobicContact CD1-CE2 4.3Å; F322-F326 HydrophobicContact CD2-CD2 4.24Å; F322-F326 AromaticContact CD2-CE2 3.92Å; F322-F326 HydrophobicContact CD2-CE2 3.92Å; F322-F326 AromaticContact CE1-CD2 3.54Å; F322-F326 HydrophobicContact CE1-CD2 3.54Å; F322-F326 AromaticContact CE1-CE2 3.89Å; F322-F326 HydrophobicContact CE1-CE2 3.89Å; F322-F326 AromaticContact CE2-CD2 3.97Å; F322-F326 HydrophobicContact CE2-CD2 3.97Å; F322-F326 AromaticContact CE2-CE2 3.45Å; F322-F326 HydrophobicContact CE2-CE2 3.45Å; F322-F326 VanDerWaalsContact CE2-CE2 3.45Å; F322-F326 HydrophobicContact CE2-CZ 4.45Å; F322-F326 HydrophobicContact CG-CD2 4.15Å; F322-F326 HydrophobicContact CG-CE2 4.3Å; F322-F326 AromaticContact CZ-CD2 3.61Å; F322-F326 HydrophobicContact CZ-CD2 3.61Å; F322-F326 AromaticContact CZ-CE2 3.43Å; F322-F326 HydrophobicContact CZ-CE2 3.43Å; F322-F326 VanDerWaalsContact CZ-CE2 3.43Å; F322-F326 HydrophobicContact CZ-CZ 4.39Å; F322-F326 WeakPolarHBondContact O-CD2 3.41Å; F322-F326 PolarHBondContact O-N 3.48Å; F322-F326 VanDerWaalsContact O-N 3.07Å
323V82Confident81.7Confident9 Ų965.8 Ų65.86%0.05535%0.35CS..Hα-helixtrans-58.9-42.8-179.5173.40000110.8N319 Y320 N327 V328N319-V323 WeakPolarHBondContact O-CG2 3.37Å; N319-V323 PolarHBondContact O-N 2.82Å; Y320-V323 PolarHBondContact O-N 3.43Å; V323-N327 PolarHBondContact O-N 2.68Å; V323-N327 VanDerWaalsContact O-N 3.08Å; V323-V328 HydrophobicContact CG1-CB 4.02Å; V323-V328 HydrophobicContact CG1-CG1 4.27Å; V323-V328 WeakPolarHBondContact CG1-O 3.16Å; V323-V328 PolarHBondContact O-N 2.91Å
324K80.4Confident81.8Confident141 Ų14164.9 Ų64.961%0.61335%0.345SS*.Hα-helixtrans-67.7-44.1176.8-172.6177.1-179.4-178.90112.5Y320 F322 F326 N327Y320-K324 HydrophobicContact CE1-CD 4.1Å; Y320-K324 WeakPolarHBondContact O-CB 3.44Å; Y320-K324 PolarHBondContact O-N 3.36Å; F322-K324 VanDerWaalsContact C-N 3.31Å; F322-K324 PolarHBondContact O-N 3.25Å; K324-F326 VanDerWaalsContact C-N 3.29Å; K324-F326 PolarHBondContact O-N 3.04Å; K324-N327 PolarHBondContact O-N 2.9Å; K324-N327 VanDerWaalsContact O-N 3.08Å
325K79.8Confident82.3Confident121 Ų12164.3 Ų64.353%0.52634%0.341SS..Hα-helixtrans-59.8-41.7179.9-178.1176-177175.50111.9Y264 N321 F322 N327Y264-K325 HydrophobicContact CD2-CD 4.25Å; Y264-K325 HydrophobicContact CE2-CD 3.8Å; Y264-K325 PolarHBondContact OH-NZ 3.44Å; N321-K325 WeakPolarHBondContact O-CB 3.34Å; N321-K325 PolarHBondContact O-N 3.43Å; F322-K325 PolarHBondContact O-N 3.13Å; K325-N327 VanDerWaalsContact C-N 3.34Å
326F82.5Confident82.9Confident13 Ų1357.6 Ų57.66%0.05731%0.31CS..Hα-helixtrans-86-3.5178.2-69.1-72.5000113.1Y264 F322 K324 V328 Y338 R348Y264-F326 HydrophobicContact CD2-CE2 4.4Å; Y264-F326 HydrophobicContact CE2-CE2 4.06Å; Y264-F326 HydrophobicContact CE2-CZ 4.3Å; F322-F326 AromaticContact CD1-CD2 3.83Å; F322-F326 HydrophobicContact CD1-CD2 3.83Å; F322-F326 HydrophobicContact CD1-CE2 4.3Å; F322-F326 HydrophobicContact CD2-CD2 4.24Å; F322-F326 AromaticContact CD2-CE2 3.92Å; F322-F326 HydrophobicContact CD2-CE2 3.92Å; F322-F326 AromaticContact CE1-CD2 3.54Å; F322-F326 HydrophobicContact CE1-CD2 3.54Å; F322-F326 AromaticContact CE1-CE2 3.89Å; F322-F326 HydrophobicContact CE1-CE2 3.89Å; F322-F326 AromaticContact CE2-CD2 3.97Å; F322-F326 HydrophobicContact CE2-CD2 3.97Å; F322-F326 AromaticContact CE2-CE2 3.45Å; F322-F326 HydrophobicContact CE2-CE2 3.45Å; F322-F326 VanDerWaalsContact CE2-CE2 3.45Å; F322-F326 HydrophobicContact CE2-CZ 4.45Å; F322-F326 HydrophobicContact CG-CD2 4.15Å; F322-F326 HydrophobicContact CG-CE2 4.3Å; F322-F326 AromaticContact CZ-CD2 3.61Å; F322-F326 HydrophobicContact CZ-CD2 3.61Å; F322-F326 AromaticContact CZ-CE2 3.43Å; F322-F326 HydrophobicContact CZ-CE2 3.43Å; F322-F326 VanDerWaalsContact CZ-CE2 3.43Å; F322-F326 HydrophobicContact CZ-CZ 4.39Å; F322-F326 WeakPolarHBondContact O-CD2 3.41Å; F322-F326 PolarHBondContact O-N 3.48Å; F322-F326 VanDerWaalsContact O-N 3.07Å; K324-F326 VanDerWaalsContact C-N 3.29Å; K324-F326 PolarHBondContact O-N 3.04Å; F326-V328 HydrophobicContact CB-CG2 4.1Å; F326-Y338 WeakPolarHBondContact CD1-OH 3.38Å; F326-Y338 HydrophobicContact CE1-CE1 4.09Å; F326-Y338 WeakPolarHBondContact CE1-OH 3.43Å; F326-Y338 HydrophobicContact CZ-CE1 4.29Å; F326-Y338 WeakPolarHBondContact CZ-OH 3.44Å; F326-R348 PolarHBondContact O-NH1 2.57Å; F326-R348 PolarHBondContact O-NH2 2.82Å
327N85.1Confident83.7Confident140 Ų14055 Ų5575%0.74929%0.293SS*.THydrogen-bonded Turntrans57.647.8-175.9-165.935.4000112.5V323 K324 K325 R348V323-N327 PolarHBondContact O-N 2.68Å; V323-N327 VanDerWaalsContact O-N 3.08Å; K324-N327 PolarHBondContact O-N 2.9Å; K324-N327 VanDerWaalsContact O-N 3.08Å; K325-N327 VanDerWaalsContact C-N 3.34Å; N327-R348 PolarHBondContact O-NH2 3.49Å
328V86Confident84.7Confident8 Ų851.9 Ų51.95%0.04826%0.262CS..  trans-92.8134.2177.2167.60000109.3I286 V323 F326 T334 L336 R348I286-V328 HydrophobicContact CD1-CG1 4.32Å; I286-V328 HydrophobicContact CD1-CG2 4.21Å; V323-V328 HydrophobicContact CG1-CB 4.02Å; V323-V328 HydrophobicContact CG1-CG1 4.27Å; V323-V328 WeakPolarHBondContact CG1-O 3.16Å; V323-V328 PolarHBondContact O-N 2.91Å; F326-V328 HydrophobicContact CB-CG2 4.1Å; V328-T334 HydrophobicContact CG1-CG2 3.56Å; V328-L336 HydrophobicContact CG2-CD1 4.46Å; V328-R348 VanDerWaalsContact CG2-NH2 3.27Å
329N88Confident85.7Confident67 Ų6749 Ų4936%0.35824%0.24SC..  trans-72.1121.5171.4-175.6-7000109.2N331 E332N329-N331 PolarHBondContact O-N 3.11Å; N329-N331 PolarHBondContact OD1-N 3.19Å; N329-E332 HydrophobicContact CB-CB 4.22Å; N329-E332 HydrophobicContact CB-CG 4.2Å; N329-E332 PolarHBondContact ND2-OE1 3.4Å; N329-E332 PolarHBondContact O-N 3.43Å
330P83.5Confident86.2Confident55 Ų5549.3 Ų49.336%0.35724%0.242SC..THydrogen-bonded Turntrans-64-22.8-176.525.5-35.9000114S314S314-P330 PolarHBondContact OG-O 3.47Å
331N86.1Confident86.9Confident131 Ų13145.5 Ų45.570%0.70123%0.231SC*.THydrogen-bonded Turntrans-89.4-6-176.8-65.8-2.3000113.5N329N329-N331 PolarHBondContact O-N 3.11Å; N329-N331 PolarHBondContact OD1-N 3.19Å
332E89.7Confident87.3Confident56 Ų5641.1 Ų41.126%0.26221%0.209SC..SBendtrans-105.9158.6-178.1-73.6173.4-155.300111.9N329 S350N329-E332 HydrophobicContact CB-CB 4.22Å; N329-E332 HydrophobicContact CB-CG 4.2Å; N329-E332 PolarHBondContact ND2-OE1 3.4Å; N329-E332 PolarHBondContact O-N 3.43Å; E332-S350 WeakPolarHBondContact OE2-CB 3.44Å
333E92.8Very high87.6Confident13 Ų1344 Ų446%0.06123%0.23CC..EExtended strand (participates in β ladder)trans-83.6122.3169-71.5178-161.800109.1K287 R295 Y296 S350 A351 L354K287-E333 HydrophobicContact CD-CG 4.17Å; K287-E333 WeakPolarHBondContact CE-OE1 3.5Å; K287-E333 HydrophobicContact CG-CG 4.05Å; K287-E333 IonicContact NZ-OE1 3.99Å; R295-E333 IonicContact CZ-OE1 3.78Å; R295-E333 IonicContact CZ-OE2 3.61Å; R295-E333 IonicContact NE-OE2 3.49Å; R295-E333 PolarHBondContact NE-OE2 3.48Å; R295-E333 IonicContact NH2-OE1 3.26Å; R295-E333 PolarHBondContact NH2-OE1 3.47Å; R295-E333 IonicContact NH2-OE2 3.96Å; R295-E333 PolarHBondContact NH2-OE2 3.27Å; Y296-E333 WeakPolarHBondContact OH-CB 3.35Å; Y296-E333 PolarHBondContact OH-OE2 2.75Å; E333-S350 WeakPolarHBondContact O-CA 3.41Å; E333-A351 WeakPolarHBondContact CA-O 3.49Å; E333-A351 WeakPolarHBondContact CB-O 3.22Å; E333-A351 PolarHBondContact N-O 3.48Å; E333-A351 PolarHBondContact O-N 3.46Å; E333-A351 VanDerWaalsContact O-O 3.1Å; E333-L354 HydrophobicContact CB-CD1 3.99Å; E333-L354 HydrophobicContact CB-CG 3.86Å; E333-L354 PolarHBondContact OE2-N 3.34Å; E333-L354 VanDerWaalsContact OE2-N 3.13Å
334T93.5Very high87.9Confident0 Ų048.8 Ų48.80%025%0.254CS..EExtended strand (participates in β ladder)trans-126135.3179.475.10000112.4I286 V328 Q349 S350I286-T334 VanDerWaalsContact CB-OG1 3.29Å; I286-T334 WeakPolarHBondContact CB-OG1 3.4Å; I286-T334 WeakPolarHBondContact CD1-OG1 3.2Å; I286-T334 WeakPolarHBondContact CG1-OG1 3.45Å; I286-T334 PolarHBondContact N-O 2.65Å; I286-T334 PolarHBondContact O-N 3.33Å; I286-T334 VanDerWaalsContact O-N 3.14Å; V328-T334 HydrophobicContact CG1-CG2 3.56Å; T334-Q349 CarbonylContact C-O 3.52Å; T334-Q349 VanDerWaalsContact CA-O 3.27Å; T334-Q349 WeakPolarHBondContact CA-O 3.41Å; T334-S350 WeakPolarHBondContact CG2-OG 3.39Å
335L95.1Very high88.5Confident0 Ų043.4 Ų43.40%023%0.234CC..EExtended strand (participates in β ladder)trans-109.3125.1173.2166.662.9000108.3M283 L285 I337 Y347 R348 Q349 L354 L359 A362M283-L335 HydrophobicContact CG-CD1 3.39Å; M283-L335 HydrophobicContact SD-CD1 3.65Å; L285-L335 HydrophobicContact CD2-CB 4.48Å; L285-L335 HydrophobicContact CD2-CD1 3.74Å; L335-I337 HydrophobicContact CD1-CG1 4.06Å; L335-I337 HydrophobicContact CG-CG1 4.42Å; L335-Y347 HydrophobicContact CD2-CD1 4.21Å; L335-Y347 HydrophobicContact CD2-CE1 3.83Å; L335-Y347 HydrophobicContact CG-CD1 4.32Å; L335-Y347 HydrophobicContact CG-CE1 4.27Å; L335-R348 WeakPolarHBondContact O-CA 3.43Å; L335-Q349 PolarHBondContact N-O 2.98Å; L335-Q349 PolarHBondContact O-N 2.9Å; L335-L354 HydrophobicContact CB-CD1 3.87Å; L335-L359 HydrophobicContact CB-CD2 4.44Å; L335-L359 HydrophobicContact CD2-CD2 3.78Å; L335-A362 HydrophobicContact CD2-CB 3.73Å
336L94.6Very high88.9Confident0 Ų040.7 Ų40.70%023%0.227CC..EExtended strand (participates in β ladder)trans-122.7134.5172.7-55.5174.6000108.7M283 V284 I286 V328 Y338 P345 Y347 R348M283-L336 CarbonylContact C-O 3.5Å; M283-L336 WeakPolarHBondContact CA-O 3.32Å; V284-L336 HydrophobicContact CB-CB 4.32Å; V284-L336 PolarHBondContact N-O 3.46Å; V284-L336 PolarHBondContact O-N 2.77Å; I286-L336 HydrophobicContact CD1-CD1 4.04Å; V328-L336 HydrophobicContact CG2-CD1 4.46Å; L336-Y338 HydrophobicContact CB-CD2 4.41Å; L336-Y338 HydrophobicContact CB-CE2 3.65Å; L336-Y338 HydrophobicContact CD1-CE2 4.3Å; L336-Y338 WeakPolarHBondContact CD1-OH 3.15Å; L336-P345 HydrophobicContact CB-CB 4.38Å; L336-P345 HydrophobicContact CD2-CB 4.45Å; L336-P345 HydrophobicContact CD2-CG 4.4Å; L336-Y347 WeakPolarHBondContact CA-O 3.37Å; L336-R348 HydrophobicContact CD2-CB 3.9Å; L336-R348 HydrophobicContact CD2-CG 3.59Å
337I94.7Very high89.4Confident0 Ų041.9 Ų41.90%023%0.231CC..EExtended strand (participates in β ladder)trans-119.3126174-55175.8000108.3P281 M283 L307 L335 P345 V346 Y347 A362 Y366P281-I337 HydrophobicContact CB-CG2 4.45Å; M283-I337 HydrophobicContact CG-CG1 4.43Å; L307-I337 HydrophobicContact CD2-CG2 4.4Å; L335-I337 HydrophobicContact CD1-CG1 4.06Å; L335-I337 HydrophobicContact CG-CG1 4.42Å; I337-P345 CarbonylContact O-C 3.58Å; I337-P345 WeakPolarHBondContact O-CA 3.45Å; I337-V346 PolarHBondContact O-N 3.44Å; I337-Y347 HydrophobicContact CD1-CD1 4.01Å; I337-Y347 HydrophobicContact CD1-CG 4.47Å; I337-Y347 HydrophobicContact CG1-CD1 4.29Å; I337-Y347 PolarHBondContact N-O 3.15Å; I337-Y347 PolarHBondContact O-N 3.48Å; I337-A362 HydrophobicContact CD1-CB 4.26Å; I337-Y366 HydrophobicContact CD1-CD2 4.3Å; I337-Y366 HydrophobicContact CD1-CG 4.41Å
338Y93.5Very high89.8Confident0 Ų039.8 Ų39.80%021%0.213CC..EExtended strand (participates in β ladder)trans-111.3137.4177.6-62.2-92.3000109.2F267 P281 R282 V284 F326 L336 P345F267-Y338 HydrophobicContact CE2-CD2 4.3Å; F267-Y338 HydrophobicContact CE2-CE2 4.24Å; F267-Y338 HydrophobicContact CZ-CD1 4.32Å; F267-Y338 AromaticContact CZ-CD2 3.9Å; F267-Y338 HydrophobicContact CZ-CD2 3.9Å; F267-Y338 HydrophobicContact CZ-CE1 4.21Å; F267-Y338 AromaticContact CZ-CE2 3.78Å; F267-Y338 HydrophobicContact CZ-CE2 3.78Å; F267-Y338 HydrophobicContact CZ-CG 4.17Å; F267-Y338 AromaticContact CZ-CZ 3.94Å; P281-Y338 WeakPolarHBondContact CB-O 3.3Å; R282-Y338 PolarHBondContact N-O 3.48Å; R282-Y338 PolarHBondContact O-N 3.03Å; V284-Y338 HydrophobicContact CB-CE2 4.34Å; V284-Y338 HydrophobicContact CG2-CD2 4.04Å; V284-Y338 HydrophobicContact CG2-CE2 3.89Å; F326-Y338 WeakPolarHBondContact CD1-OH 3.38Å; F326-Y338 HydrophobicContact CE1-CE1 4.09Å; F326-Y338 WeakPolarHBondContact CE1-OH 3.43Å; F326-Y338 HydrophobicContact CZ-CE1 4.29Å; F326-Y338 WeakPolarHBondContact CZ-OH 3.44Å; L336-Y338 HydrophobicContact CB-CD2 4.41Å; L336-Y338 HydrophobicContact CB-CE2 3.65Å; L336-Y338 HydrophobicContact CD1-CE2 4.3Å; L336-Y338 WeakPolarHBondContact CD1-OH 3.15Å; Y338-P345 HydrophobicContact CD1-CB 4.13Å; Y338-P345 HydrophobicContact CE1-CB 3.75Å; Y338-P345 HydrophobicContact CE1-CG 4.29Å; Y338-P345 HydrophobicContact CE2-CB 4.38Å
339H91.4Very high90.2Very high11 Ų1142.7 Ų42.75%0.05123%0.226CC..SBendtrans-92.1-113.3167.9-65.4-176.3000108H272 V346 Q368 L369 N370H272-H339 PolarHBondContact NE2-O 3.39Å; H339-V346 HydrophobicContact CB-CG2 4.04Å; H339-Q368 PolarHBondContact CE1-O 2.8Å; H339-Q368 PolarHBondContact ND1-O 2.61Å; H339-Q368 PolarHBondContact NE2-O 3.13Å; H339-L369 HydrophobicContact CB-CD2 3.86Å; H339-N370 PolarHBondContact ND1-OD1 3.03Å
340E86.2Confident90.4Very high9 Ų941.3 Ų41.34%0.04222%0.221CC..SBendtrans-95.2-15.6-176.8-52.893.1155.700114.3H272 W275 L369 N370 I371 R440H272-E340 PolarHBondContact CE1-O 2.87Å; H272-E340 VanDerWaalsContact CE1-O 3.29Å; W275-E340 HydrophobicContact CD2-CG 4.28Å; W275-E340 HydrophobicContact CE3-CG 4.12Å; W275-E340 HydrophobicContact CH2-CB 3.92Å; W275-E340 HydrophobicContact CH2-CG 3.62Å; W275-E340 HydrophobicContact CZ2-CB 3.54Å; W275-E340 HydrophobicContact CZ2-CG 3.76Å; W275-E340 HydrophobicContact CZ3-CG 3.79Å; E340-L369 HydrophobicContact CG-CD2 4.17Å; E340-L369 WeakPolarHBondContact OE1-CB 3.43Å; E340-N370 WeakPolarHBondContact OE1-CA 3.46Å; E340-N370 WeakPolarHBondContact OE1-CB 3.41Å; E340-N370 PolarHBondContact OE1-N 3.2Å; E340-N370 WeakPolarHBondContact OE2-CB 3.41Å; E340-N370 PolarHBondContact OE2-ND2 3.4Å; E340-I371 PolarHBondContact OE1-N 3.33Å; E340-R440 IonicContact OE2-CZ 2.65Å; E340-R440 IonicContact OE2-NE 3.25Å
341D85.6Confident90.8Very high62 Ų6240 Ų4033%0.33222%0.216SC..  trans-94.3122.1175.4-170.3-10.5000110H272 S343H272-D341 PolarHBondContact NE2-O 3.12Å; D341-S343 VanDerWaalsContact C-N 3.33Å; D341-S343 VanDerWaalsContact CG-OG 3.32Å; D341-S343 WeakPolarHBondContact OD1-CB 3.41Å; D341-S343 PolarHBondContact OD1-N 2.79Å; D341-S343 PolarHBondContact OD1-OG 2.74Å; D341-S343 PolarHBondContact OD2-OG 2.88Å
342S85.3Confident91Very high26 Ų2639.6 Ų39.618%0.18222%0.218CC..SBendtrans-80.5-15.2179.259.60000113.3H272H272-S342 PolarHBondContact CE1-N 3.19Å; H272-S342 WeakPolarHBondContact NE2-CA 3.31Å; H272-S342 PolarHBondContact NE2-N 3.13Å
343S84.9Confident91.1Very high62 Ų6244.1 Ų44.143%0.43424%0.237SC..SBendtrans-89.7-29.8-174.168.70000113.2D341D341-S343 VanDerWaalsContact C-N 3.33Å; D341-S343 VanDerWaalsContact CG-OG 3.32Å; D341-S343 WeakPolarHBondContact OD1-CB 3.41Å; D341-S343 PolarHBondContact OD1-N 2.79Å; D341-S343 PolarHBondContact OD1-OG 2.74Å; D341-S343 PolarHBondContact OD2-OG 2.88Å
344I87.7Confident91Very high110 Ų11043.5 Ų43.556%0.56423%0.234SC*.SBendtrans-124.8114-175-59168.5000109.1
345P91.6Very high90.8Very high28 Ų2845.8 Ų45.818%0.18225%0.25CC..  trans-71.2138.4172.429.2-32.4000110.3L336 I337 Y338L336-P345 HydrophobicContact CB-CB 4.38Å; L336-P345 HydrophobicContact CD2-CB 4.45Å; L336-P345 HydrophobicContact CD2-CG 4.4Å; I337-P345 CarbonylContact O-C 3.58Å; I337-P345 WeakPolarHBondContact O-CA 3.45Å; Y338-P345 HydrophobicContact CD1-CB 4.13Å; Y338-P345 HydrophobicContact CE1-CB 3.75Å; Y338-P345 HydrophobicContact CE1-CG 4.29Å; Y338-P345 HydrophobicContact CE2-CB 4.38Å
346V89.5Confident90.4Very high63 Ų6347.7 Ų47.738%0.38226%0.262SS..SBendtrans-76.5-34.6177.4-178.20000110.9I337 H339 Y366I337-V346 PolarHBondContact O-N 3.44Å; H339-V346 HydrophobicContact CB-CG2 4.04Å; V346-Y366 HydrophobicContact CB-CD1 4.45Å; V346-Y366 HydrophobicContact CG1-CD1 3.63Å; V346-Y366 HydrophobicContact CG1-CE1 3.68Å
347Y93.2Very high90.1Very high39 Ų3952.7 Ų52.715%0.15329%0.293CS..EExtended strand (participates in β ladder)trans-129.2142.8174.1-178.2-103.8000110.9L335 L336 I337 Q349 A362 Y366L335-Y347 HydrophobicContact CD2-CD1 4.21Å; L335-Y347 HydrophobicContact CD2-CE1 3.83Å; L335-Y347 HydrophobicContact CG-CD1 4.32Å; L335-Y347 HydrophobicContact CG-CE1 4.27Å; L336-Y347 WeakPolarHBondContact CA-O 3.37Å; I337-Y347 HydrophobicContact CD1-CD1 4.01Å; I337-Y347 HydrophobicContact CD1-CG 4.47Å; I337-Y347 HydrophobicContact CG1-CD1 4.29Å; I337-Y347 PolarHBondContact N-O 3.15Å; I337-Y347 PolarHBondContact O-N 3.48Å; Y347-Q349 HydrophobicContact CE1-CB 3.85Å; Y347-A362 HydrophobicContact CD1-CB 3.83Å; Y347-A362 HydrophobicContact CE1-CB 3.33Å; Y347-Y366 HydrophobicContact CD1-CD2 4.47Å; Y347-Y366 HydrophobicContact CD1-CE2 4.47Å; Y347-Y366 AromaticContact CD2-CD2 3.94Å; Y347-Y366 HydrophobicContact CD2-CD2 3.94Å; Y347-Y366 AromaticContact CD2-CE2 3.18Å; Y347-Y366 HydrophobicContact CD2-CE2 3.18Å; Y347-Y366 AromaticContact CD2-CZ 3.63Å; Y347-Y366 AromaticContact CE2-CE2 3.93Å; Y347-Y366 HydrophobicContact CE2-CE2 3.93Å; Y347-Y366 AromaticContact CG-CD2 3.75Å; Y347-Y366 HydrophobicContact CG-CD2 3.75Å; Y347-Y366 AromaticContact CG-CE2 3.48Å; Y347-Y366 HydrophobicContact CG-CE2 3.48Å; Y347-Y366 VanDerWaalsContact CG-CE2 3.48Å
348R93.6Very high89.9Confident96 Ų9654.7 Ų54.736%0.36230%0.303SS..EExtended strand (participates in β ladder)trans-145.8126.6180174.4169.7-155.9169.87.8110.1F326 N327 V328 L335 L336F326-R348 PolarHBondContact O-NH1 2.57Å; F326-R348 PolarHBondContact O-NH2 2.82Å; N327-R348 PolarHBondContact O-NH2 3.49Å; V328-R348 VanDerWaalsContact CG2-NH2 3.27Å; L335-R348 WeakPolarHBondContact O-CA 3.43Å; L336-R348 HydrophobicContact CD2-CB 3.9Å; L336-R348 HydrophobicContact CD2-CG 3.59Å
349Q93.5Very high89.7Confident68 Ų6854.8 Ų54.832%0.31830%0.304SS..EExtended strand (participates in β ladder)trans-137.9136.2168.9-17566.840.800110.3T334 L335 Y347 L354 L358T334-Q349 CarbonylContact C-O 3.52Å; T334-Q349 VanDerWaalsContact CA-O 3.27Å; T334-Q349 WeakPolarHBondContact CA-O 3.41Å; L335-Q349 PolarHBondContact N-O 2.98Å; L335-Q349 PolarHBondContact O-N 2.9Å; Y347-Q349 HydrophobicContact CE1-CB 3.85Å; Q349-L354 HydrophobicContact CB-CD2 4.38Å; Q349-L354 HydrophobicContact CG-CD2 3.73Å; Q349-L358 HydrophobicContact CB-CD2 4.18Å; Q349-L358 HydrophobicContact CG-CD1 3.87Å; Q349-L358 HydrophobicContact CG-CD2 3.85Å
350S92.4Very high89.5Confident38 Ų3856.5 Ų56.527%0.26631%0.313SS..EExtended strand (participates in β ladder)trans-123.6140.1169.6-52.60000109.4E332 E333 T334E332-S350 WeakPolarHBondContact OE2-CB 3.44Å; E333-S350 WeakPolarHBondContact O-CA 3.41Å; T334-S350 WeakPolarHBondContact CG2-OG 3.39Å
351A92.4Very high89.5Confident29 Ų2958.4 Ų58.424%0.2433%0.327CS..EExtended strand (participates in β ladder)trans-157.3165171.700000109.9E333 K353 L354E333-A351 WeakPolarHBondContact CA-O 3.49Å; E333-A351 WeakPolarHBondContact CB-O 3.22Å; E333-A351 PolarHBondContact N-O 3.48Å; E333-A351 PolarHBondContact O-N 3.46Å; E333-A351 VanDerWaalsContact O-O 3.1Å; A351-K353 VanDerWaalsContact C-N 3.27Å; A351-K353 PolarHBondContact O-N 3Å; A351-L354 HydrophobicContact CB-CD2 3.87Å
352T90Very high89.7Confident122 Ų12255.5 Ų55.575%0.74831%0.312SS*.SBendtrans-61-38.6172.454.20000112.1
353K90.8Very high89.8Confident150 Ų15054.6 Ų54.665%0.65231%0.305SS*.SBendtrans-143.9117.4173-175.5178.2179.7-178.60109.1A351 S355A351-K353 VanDerWaalsContact C-N 3.27Å; A351-K353 PolarHBondContact O-N 3Å; K353-S355 PolarHBondContact O-N 2.98Å
354L90.9Very high89.6Confident1 Ų153.6 Ų53.61%0.00530%0.295CS..  trans-75.1126.6176.8-66.4170.6000109.5E333 L335 Q349 A351 L358 L359E333-L354 HydrophobicContact CB-CD1 3.99Å; E333-L354 HydrophobicContact CB-CG 3.86Å; E333-L354 PolarHBondContact OE2-N 3.34Å; E333-L354 VanDerWaalsContact OE2-N 3.13Å; L335-L354 HydrophobicContact CB-CD1 3.87Å; Q349-L354 HydrophobicContact CB-CD2 4.38Å; Q349-L354 HydrophobicContact CG-CD2 3.73Å; A351-L354 HydrophobicContact CB-CD2 3.87Å; L354-L358 HydrophobicContact CD2-CD2 4.19Å; L354-L359 HydrophobicContact CB-CD2 4.14Å; L354-L359 HydrophobicContact CB-CG 4.41Å; L354-L359 HydrophobicContact CD1-CD2 4.09Å
355S90.2Very high89.4Confident47 Ų4749.8 Ų49.833%0.32928%0.28SS..  trans-72.4146.517869.10000110.8K353 T357 L358 L359K353-S355 PolarHBondContact O-N 2.98Å; S355-T357 PolarHBondContact O-N 2.83Å; S355-T357 PolarHBondContact OG-OG1 3.31Å; S355-T357 VanDerWaalsContact OG-OG1 3.07Å; S355-L358 PolarHBondContact O-N 2.85Å; S355-L358 VanDerWaalsContact O-N 3.13Å; S355-L358 WeakPolarHBondContact OG-CB 3.41Å; S355-L358 PolarHBondContact OG-N 3.08Å; S355-L359 PolarHBondContact O-N 3.44Å; S355-L359 VanDerWaalsContact O-N 3.09Å
356P86.6Confident89.2Confident41 Ų4151.8 Ų51.827%0.26628%0.284SS..Hα-helixtrans-56.6-38.6175.6-24.933.9000112.6L178 L358 L359 D360L178-P356 HydrophobicContact CD2-CG 3.94Å; P356-L358 VanDerWaalsContact C-N 3.34Å; P356-L358 PolarHBondContact O-N 3.36Å; P356-L359 WeakPolarHBondContact O-CB 2.92Å; P356-L359 PolarHBondContact O-N 2.98Å; P356-D360 VanDerWaalsContact O-CG 3.32Å; P356-D360 PolarHBondContact O-N 3.34Å
357T87.9Confident88.9Confident105 Ų10549.1 Ų49.164%0.64427%0.268SS*.Hα-helixtrans-63.4-38.1177.953.80000112.8S355 D360 S361S355-T357 PolarHBondContact O-N 2.83Å; S355-T357 PolarHBondContact OG-OG1 3.31Å; S355-T357 VanDerWaalsContact OG-OG1 3.07Å; T357-D360 PolarHBondContact O-N 3.46Å; T357-S361 WeakPolarHBondContact O-CB 3.49Å; T357-S361 PolarHBondContact O-N 3.37Å; T357-S361 PolarHBondContact O-OG 2.86Å
358L89.9Confident88.4Confident41 Ų4148.5 Ų48.522%0.21527%0.267CS..Hα-helixtrans-67.2-45.8176-174.6155000110.1Q349 L354 S355 P356 D360 S361 A362Q349-L358 HydrophobicContact CB-CD2 4.18Å; Q349-L358 HydrophobicContact CG-CD1 3.87Å; Q349-L358 HydrophobicContact CG-CD2 3.85Å; L354-L358 HydrophobicContact CD2-CD2 4.19Å; S355-L358 PolarHBondContact O-N 2.85Å; S355-L358 VanDerWaalsContact O-N 3.13Å; S355-L358 WeakPolarHBondContact OG-CB 3.41Å; S355-L358 PolarHBondContact OG-N 3.08Å; P356-L358 VanDerWaalsContact C-N 3.34Å; P356-L358 PolarHBondContact O-N 3.36Å; L358-D360 VanDerWaalsContact C-N 3.33Å; L358-D360 PolarHBondContact O-N 3.41Å; L358-S361 PolarHBondContact O-N 2.83Å; L358-S361 PolarHBondContact O-OG 3.49Å; L358-A362 WeakPolarHBondContact O-CB 3.44Å; L358-A362 PolarHBondContact O-N 2.66Å
359L90Very high88.1Confident3 Ų344.3 Ų44.32%0.01625%0.251CS..Hα-helixtrans-56.1-50.5175.3-63.6176.4000110.2L285 Y296 A299 L335 L354 S355 P356 S361 A362 M363L285-L359 HydrophobicContact CD2-CD2 4.44Å; Y296-L359 HydrophobicContact CD1-CD1 4.11Å; Y296-L359 HydrophobicContact CE1-CD1 4.13Å; A299-L359 HydrophobicContact CB-CD1 4.18Å; L335-L359 HydrophobicContact CB-CD2 4.44Å; L335-L359 HydrophobicContact CD2-CD2 3.78Å; L354-L359 HydrophobicContact CB-CD2 4.14Å; L354-L359 HydrophobicContact CB-CG 4.41Å; L354-L359 HydrophobicContact CD1-CD2 4.09Å; S355-L359 PolarHBondContact O-N 3.44Å; S355-L359 VanDerWaalsContact O-N 3.09Å; P356-L359 WeakPolarHBondContact O-CB 2.92Å; P356-L359 PolarHBondContact O-N 2.98Å; L359-S361 PolarHBondContact O-N 3.43Å; L359-A362 PolarHBondContact O-N 3.24Å; L359-M363 HydrophobicContact CB-CE 4.2Å; L359-M363 WeakPolarHBondContact O-CB 3.44Å; L359-M363 WeakPolarHBondContact O-CG 3.48Å; L359-M363 PolarHBondContact O-N 3.37Å
360D86.8Confident87.6Confident47 Ų4744.4 Ų44.425%0.25125%0.254SS..Hα-helixtrans-59.8-46-179-70.8-22.1000111.4R302 P356 T357 L358 A362 M363 L364R302-D360 IonicContact NH1-OD1 3.76Å; R302-D360 IonicContact NH1-OD2 2.69Å; R302-D360 PolarHBondContact NH1-OD2 3Å; P356-D360 VanDerWaalsContact O-CG 3.32Å; P356-D360 PolarHBondContact O-N 3.34Å; T357-D360 PolarHBondContact O-N 3.46Å; L358-D360 VanDerWaalsContact C-N 3.33Å; L358-D360 PolarHBondContact O-N 3.41Å; D360-A362 PolarHBondContact O-N 2.89Å; D360-M363 HydrophobicContact CB-CE 4.39Å; D360-M363 PolarHBondContact O-N 3.03Å; D360-M363 WeakPolarHBondContact OD1-CE 3.41Å; D360-L364 WeakPolarHBondContact O-CB 3.22Å; D360-L364 WeakPolarHBondContact O-CD1 3.44Å; D360-L364 VanDerWaalsContact O-CG 3.25Å; D360-L364 WeakPolarHBondContact O-CG 3.46Å; D360-L364 PolarHBondContact O-N 3.23Å
361S87.5Confident87.4Confident48 Ų4842.7 Ų42.734%0.33624%0.242SC..Hα-helixtrans-62.9-39177.868.60000113.4T357 L358 L359 A365T357-S361 WeakPolarHBondContact O-CB 3.49Å; T357-S361 PolarHBondContact O-N 3.37Å; T357-S361 PolarHBondContact O-OG 2.86Å; L358-S361 PolarHBondContact O-N 2.83Å; L358-S361 PolarHBondContact O-OG 3.49Å; L359-S361 PolarHBondContact O-N 3.43Å; S361-A365 VanDerWaalsContact O-CB 3.27Å; S361-A365 WeakPolarHBondContact O-CB 3.29Å; S361-A365 PolarHBondContact O-N 3.09Å
362A88.2Confident87.1Confident1 Ų141.3 Ų41.31%0.00823%0.231CC..Hα-helixtrans-71.3-42.5177.800000111.5L335 I337 Y347 L358 L359 D360 L364 A365 Y366L335-A362 HydrophobicContact CD2-CB 3.73Å; I337-A362 HydrophobicContact CD1-CB 4.26Å; Y347-A362 HydrophobicContact CD1-CB 3.83Å; Y347-A362 HydrophobicContact CE1-CB 3.33Å; L358-A362 WeakPolarHBondContact O-CB 3.44Å; L358-A362 PolarHBondContact O-N 2.66Å; L359-A362 PolarHBondContact O-N 3.24Å; D360-A362 PolarHBondContact O-N 2.89Å; A362-L364 VanDerWaalsContact C-N 3.28Å; A362-L364 PolarHBondContact O-N 3.05Å; A362-A365 PolarHBondContact O-N 3.29Å; A362-Y366 WeakPolarHBondContact O-CD2 3.39Å; A362-Y366 PolarHBondContact O-N 2.85Å
363M87.7Confident86.7Confident7 Ų735.6 Ų35.63%0.03420%0.195CC..Hα-helixtrans-61.7-39.2176.4-70.8-177.9-54.600111.3M283 A299 A303 L307 L359 D360 S367M283-M363 HydrophobicContact CE-SD 4.23Å; M283-M363 HydrophobicContact SD-CG 3.89Å; M283-M363 HydrophobicContact SD-SD 4.02Å; A299-M363 HydrophobicContact CB-CE 3.88Å; A299-M363 HydrophobicContact CB-SD 4.04Å; A303-M363 HydrophobicContact CB-CB 4.48Å; A303-M363 HydrophobicContact CB-CG 4.32Å; A303-M363 HydrophobicContact CB-SD 3.59Å; A303-M363 VanDerWaalsContact CB-SD 3.59Å; L307-M363 HydrophobicContact CD1-CB 3.76Å; L307-M363 HydrophobicContact CD1-CG 3.9Å; L307-M363 WeakPolarHBondContact CD1-O 3.49Å; L359-M363 HydrophobicContact CB-CE 4.2Å; L359-M363 WeakPolarHBondContact O-CB 3.44Å; L359-M363 WeakPolarHBondContact O-CG 3.48Å; L359-M363 PolarHBondContact O-N 3.37Å; D360-M363 HydrophobicContact CB-CE 4.39Å; D360-M363 PolarHBondContact O-N 3.03Å; D360-M363 WeakPolarHBondContact OD1-CE 3.41Å; M363-S367 WeakPolarHBondContact O-CA 3.48Å; M363-S367 VanDerWaalsContact O-CB 3.28Å; M363-S367 WeakPolarHBondContact O-CB 3.42Å; M363-S367 PolarHBondContact O-N 3.19Å
364L81.1Confident86.3Confident41 Ų4128.6 Ų28.622%0.21517%0.165CC..Hα-helixtrans-67.7-52.6176.7-75.3160.3000111.6D360 A362 Y366 S367 K394 Y395 E398D360-L364 WeakPolarHBondContact O-CB 3.22Å; D360-L364 WeakPolarHBondContact O-CD1 3.44Å; D360-L364 VanDerWaalsContact O-CG 3.25Å; D360-L364 WeakPolarHBondContact O-CG 3.46Å; D360-L364 PolarHBondContact O-N 3.23Å; A362-L364 VanDerWaalsContact C-N 3.28Å; A362-L364 PolarHBondContact O-N 3.05Å; L364-Y366 VanDerWaalsContact C-N 3.33Å; L364-Y366 PolarHBondContact O-N 2.89Å; L364-S367 PolarHBondContact O-OG 2.94Å; L364-K394 HydrophobicContact CD2-CB 4.09Å; L364-Y395 HydrophobicContact CB-CD1 4.39Å; L364-Y395 HydrophobicContact CD2-CD1 3.42Å; L364-Y395 VanDerWaalsContact CD2-CD1 3.42Å; L364-Y395 HydrophobicContact CD2-CD2 4.47Å; L364-Y395 HydrophobicContact CD2-CE1 3.21Å; L364-Y395 HydrophobicContact CD2-CE2 4.33Å; L364-Y395 HydrophobicContact CD2-CG 4.03Å; L364-Y395 HydrophobicContact CG-CD1 4.25Å; L364-Y395 HydrophobicContact CG-CE1 3.97Å; L364-E398 WeakPolarHBondContact CB-OE2 3.27Å
365A82.9Confident85.6Confident30 Ų3029.6 Ų29.625%0.24817%0.169CC..Hα-helixtrans-64.3-30.8-17600000114.5S361 A362 E398S361-A365 VanDerWaalsContact O-CB 3.27Å; S361-A365 WeakPolarHBondContact O-CB 3.29Å; S361-A365 PolarHBondContact O-N 3.09Å; A362-A365 PolarHBondContact O-N 3.29Å; A365-E398 HydrophobicContact CB-CG 4.21Å
366Y87.8Confident84.7Confident71 Ų7128.1 Ų28.128%0.27816%0.158SC..THydrogen-bonded Turntrans-117.929.9-176.2-58.4-82.7000113I337 V346 Y347 A362 L364 Q368I337-Y366 HydrophobicContact CD1-CD2 4.3Å; I337-Y366 HydrophobicContact CD1-CG 4.41Å; V346-Y366 HydrophobicContact CB-CD1 4.45Å; V346-Y366 HydrophobicContact CG1-CD1 3.63Å; V346-Y366 HydrophobicContact CG1-CE1 3.68Å; Y347-Y366 HydrophobicContact CD1-CD2 4.47Å; Y347-Y366 HydrophobicContact CD1-CE2 4.47Å; Y347-Y366 AromaticContact CD2-CD2 3.94Å; Y347-Y366 HydrophobicContact CD2-CD2 3.94Å; Y347-Y366 AromaticContact CD2-CE2 3.18Å; Y347-Y366 HydrophobicContact CD2-CE2 3.18Å; Y347-Y366 AromaticContact CD2-CZ 3.63Å; Y347-Y366 AromaticContact CE2-CE2 3.93Å; Y347-Y366 HydrophobicContact CE2-CE2 3.93Å; Y347-Y366 AromaticContact CG-CD2 3.75Å; Y347-Y366 HydrophobicContact CG-CD2 3.75Å; Y347-Y366 AromaticContact CG-CE2 3.48Å; Y347-Y366 HydrophobicContact CG-CE2 3.48Å; Y347-Y366 VanDerWaalsContact CG-CE2 3.48Å; A362-Y366 WeakPolarHBondContact O-CD2 3.39Å; A362-Y366 PolarHBondContact O-N 2.85Å; L364-Y366 VanDerWaalsContact C-N 3.33Å; L364-Y366 PolarHBondContact O-N 2.89Å; Y366-Q368 PolarHBondContact O-N 3.02Å
367S83.7Confident84.2Confident7 Ų731.9 Ų31.95%0.04917%0.167CC..  trans-71.8-10.7179.851.50000114.7P281 M363 L364 Y395P281-S367 WeakPolarHBondContact CD-O 3.31Å; P281-S367 WeakPolarHBondContact CG-O 3.38Å; M363-S367 WeakPolarHBondContact O-CA 3.48Å; M363-S367 VanDerWaalsContact O-CB 3.28Å; M363-S367 WeakPolarHBondContact O-CB 3.42Å; M363-S367 PolarHBondContact O-N 3.19Å; L364-S367 PolarHBondContact O-OG 2.94Å; S367-Y395 WeakPolarHBondContact OG-CB 3.22Å
368Q82.1Confident83.4Confident25 Ų2530.2 Ų30.212%0.11716%0.164CC..SBendtrans-123140.6-172.5-55.8-168.5-7.800112.1H339 Y366 R379 D382H339-Q368 PolarHBondContact CE1-O 2.8Å; H339-Q368 PolarHBondContact ND1-O 2.61Å; H339-Q368 PolarHBondContact NE2-O 3.13Å; Y366-Q368 PolarHBondContact O-N 3.02Å; Q368-R379 VanDerWaalsContact NE2-NH1 3.13Å; Q368-D382 PolarHBondContact NE2-OD2 3.02Å
369L86.7Confident82.7Confident8 Ų829.5 Ų29.54%0.04216%0.159CC..  trans-65.7162.3171.3-67176.8000111.1W275 P281 H339 E340 I371 P372W275-L369 HydrophobicContact CD2-CD1 4.46Å; W275-L369 HydrophobicContact CE3-CD1 3.64Å; W275-L369 HydrophobicContact CZ3-CD1 4.21Å; P281-L369 HydrophobicContact CB-CD2 3.96Å; P281-L369 HydrophobicContact CG-CD2 3.87Å; P281-L369 HydrophobicContact CG-CG 4.08Å; H339-L369 HydrophobicContact CB-CD2 3.86Å; E340-L369 HydrophobicContact CG-CD2 4.17Å; E340-L369 WeakPolarHBondContact OE1-CB 3.43Å; L369-I371 VanDerWaalsContact C-N 3.31Å; L369-I371 PolarHBondContact O-N 3.26Å; L369-P372 WeakPolarHBondContact O-CD 3.35Å
370N84.7Confident82.1Confident70 Ų7029.8 Ų29.837%0.37416%0.16SC..SBendtrans-67.5-34.8177.5-61.8-43.3000111.7H339 E340 P465H339-N370 PolarHBondContact ND1-OD1 3.03Å; E340-N370 WeakPolarHBondContact OE1-CA 3.46Å; E340-N370 WeakPolarHBondContact OE1-CB 3.41Å; E340-N370 PolarHBondContact OE1-N 3.2Å; E340-N370 WeakPolarHBondContact OE2-CB 3.41Å; E340-N370 PolarHBondContact OE2-ND2 3.4Å; N370-P465 WeakPolarHBondContact O-CG 3.47Å
371I87.2Confident81.5Confident2 Ų230.1 Ų30.11%0.0116%0.162CC..SBendtrans-128.581.7173.9-52.8176.5000108.1E340 L369 L436 L439 R440 L443 P465 H467E340-I371 PolarHBondContact OE1-N 3.33Å; L369-I371 VanDerWaalsContact C-N 3.31Å; L369-I371 PolarHBondContact O-N 3.26Å; I371-L436 HydrophobicContact CG2-CD2 4.12Å; I371-L439 HydrophobicContact CD1-CB 4.1Å; I371-L439 HydrophobicContact CD1-CD2 4.03Å; I371-L439 HydrophobicContact CD1-CG 3.91Å; I371-R440 HydrophobicContact CD1-CB 3.94Å; I371-L443 HydrophobicContact CD1-CD1 4.31Å; I371-L443 HydrophobicContact CG1-CD1 4.49Å; I371-P465 HydrophobicContact CG1-CB 4.32Å; I371-P465 HydrophobicContact CG1-CG 4.43Å; I371-H467 HydrophobicContact CG2-CB 4.38Å; I371-H467 PolarHBondContact O-CE1 3.14Å; I371-H467 PolarHBondContact O-ND1 3.02Å; I371-H467 VanDerWaalsContact O-ND1 3.1Å
372P85.4Confident80.8Confident1 Ų129 Ų291%0.00615%0.152CC..  trans-63.7158.4-179.327.2-36000112.3L369 R379 L383 P465 V466 H467L369-P372 WeakPolarHBondContact O-CD 3.35Å; P372-R379 VanDerWaalsContact CB-NH2 3.31Å; P372-L383 HydrophobicContact CB-CD1 4.17Å; P372-L383 HydrophobicContact CB-CD2 4.37Å; P372-L383 HydrophobicContact CG-CD1 3.9Å; P372-L383 HydrophobicContact CG-CD2 3.66Å; P372-L383 HydrophobicContact CG-CG 4.47Å; P372-P465 WeakPolarHBondContact CD-O 3.19Å; P372-V466 HydrophobicContact CG-CG2 4.46Å; P372-V466 WeakPolarHBondContact O-CA 3.21Å; P372-V466 WeakPolarHBondContact O-CG1 3.44Å; P372-H467 PolarHBondContact O-N 2.85Å; P372-H467 PolarHBondContact O-ND1 3.36Å
373R83.6Confident80.1Confident2 Ų229 Ų291%0.00815%0.152CC..BIsolated β-bridgetrans-91.9137.5172.2-172.3171.2159-166.5-3.6110.4S279 Y375 R379 H467 Y469 E605S279-R373 PolarHBondContact OG-N 3.45Å; R373-Y375 HydrophobicContact CB-CD1 4.16Å; R373-Y375 HydrophobicContact CG-CD1 4.32Å; R373-Y375 WeakPolarHBondContact O-CD1 3.27Å; R373-R379 WeakPolarHBondContact O-CG 3.15Å; R373-H467 WeakPolarHBondContact CA-O 3.41Å; R373-H467 VanDerWaalsContact CB-CE1 3.46Å; R373-H467 WeakPolarHBondContact CB-CE1 3.32Å; R373-H467 WeakPolarHBondContact CB-NE2 3.28Å; R373-Y469 VanDerWaalsContact NE-CD2 3.32Å; R373-E605 IonicContact CZ-OE2 3.76Å; R373-E605 IonicContact NE-OE2 3.25Å; R373-E605 IonicContact NH2-OE2 3.78Å; R373-E605 PolarHBondContact NH2-OE2 2.84Å
374I80.7Confident79.4Confident2 Ų228.7 Ų28.71%0.0115%0.15CC..  trans-86.3111.5161.1-75.8159.8000107.6L380 L383 V466 H467 I468 M602I374-L380 HydrophobicContact CD1-CD1 3.7Å; I374-L380 HydrophobicContact CG1-CD1 4.35Å; I374-L380 HydrophobicContact CG2-CB 4.15Å; I374-L380 HydrophobicContact CG2-CD1 4.39Å; I374-L383 HydrophobicContact CG1-CD1 3.83Å; I374-V466 HydrophobicContact CB-CG1 4.14Å; I374-V466 HydrophobicContact CD1-CB 4.33Å; I374-V466 HydrophobicContact CD1-CG1 3.38Å; I374-V466 HydrophobicContact CG1-CG1 3.47Å; I374-V466 VanDerWaalsContact CG1-CG1 3.47Å; I374-H467 PolarHBondContact N-O 3.35Å; I374-H467 VanDerWaalsContact N-O 3.11Å; I374-I468 HydrophobicContact CB-CD1 3.99Å; I374-I468 HydrophobicContact CB-CG1 3.82Å; I374-I468 HydrophobicContact CD1-CD1 4.09Å; I374-I468 HydrophobicContact CD1-CG1 4.47Å; I374-I468 HydrophobicContact CG2-CD1 4.06Å; I374-I468 HydrophobicContact CG2-CG1 4.31Å; I374-M602 HydrophobicContact CG2-CE 3.32Å; I374-M602 HydrophobicContact CG2-SD 4.08Å
375Y76.1Confident78.8Confident23 Ų2327.4 Ų27.49%0.0914%0.144CC..  trans-128.9-14.3178.159.6-96.3000113.1T251 R373 R379 Q473 D604 L606T251-Y375 HydrophobicContact CG2-CD2 4.36Å; T251-Y375 HydrophobicContact CG2-CE2 3.76Å; R373-Y375 HydrophobicContact CB-CD1 4.16Å; R373-Y375 HydrophobicContact CG-CD1 4.32Å; R373-Y375 WeakPolarHBondContact O-CD1 3.27Å; Y375-R379 HydrophobicContact CE1-CG 4.12Å; Y375-Q473 PolarHBondContact O-NE2 2.88Å; Y375-D604 WeakPolarHBondContact O-CA 3.34Å; Y375-L606 HydrophobicContact CD1-CD1 4.39Å; Y375-L606 HydrophobicContact CD2-CD1 3.71Å; Y375-L606 HydrophobicContact CD2-CG 4.31Å; Y375-L606 HydrophobicContact CE2-CD1 3.95Å; Y375-L606 HydrophobicContact CG-CD1 3.97Å
376S72.9Confident77.9Confident15 Ų1526.8 Ų26.811%0.10514%0.137CC..SBendtrans-139159.218071.60000110.9A378 R379 L380S376-A378 VanDerWaalsContact C-N 3.34Å; S376-A378 PolarHBondContact O-N 3.4Å; S376-R379 PolarHBondContact O-N 2.57Å; S376-R379 WeakPolarHBondContact OG-CB 3.23Å; S376-R379 PolarHBondContact OG-N 2.95Å; S376-L380 PolarHBondContact O-N 3.18Å
377R74.4Confident76.2Confident120 Ų12028.3 Ų28.345%0.45315%0.15SC..Hα-helixtrans-52.2-50.5171.9175.1-174.4176.6164.57.3112.2R379 L380 L381 E599 M602R377-R379 PolarHBondContact O-N 3.22Å; R377-L380 PolarHBondContact O-N 2.86Å; R377-L381 HydrophobicContact CG-CD1 4Å; R377-L381 PolarHBondContact O-N 3.49Å; R377-E599 WeakPolarHBondContact CD-O 3.44Å; R377-E599 HydrophobicContact CG-CB 3.75Å; R377-E599 HydrophobicContact CG-CG 4Å; R377-E599 IonicContact CZ-OE2 3.47Å; R377-E599 IonicContact NE-OE2 2.6Å; R377-E599 PolarHBondContact NE-OE2 3.41Å; R377-E599 IonicContact NH2-OE2 3.65Å; R377-E599 PolarHBondContact NH2-OE2 3.44Å; R377-M602 HydrophobicContact CB-CB 4.48Å
378A70.9Confident74.6Confident70 Ų7028.2 Ų28.258%0.57915%0.151SC*.Hα-helixtrans-59.6-38-178.900000111.2S376 L381 D382S376-A378 VanDerWaalsContact C-N 3.34Å; S376-A378 PolarHBondContact O-N 3.4Å; A378-L381 PolarHBondContact O-N 2.82Å; A378-D382 WeakPolarHBondContact O-CB 3.49Å; A378-D382 PolarHBondContact O-N 2.65Å
379R76.3Confident73.1Confident27 Ų2729.6 Ų29.610%0.10216%0.163CC..Hα-helixtrans-71.2-37.4178.2-166.255.8171.6160.41.1113Q368 P372 R373 Y375 S376 R377 D382 L383Q368-R379 VanDerWaalsContact NE2-NH1 3.13Å; P372-R379 VanDerWaalsContact CB-NH2 3.31Å; R373-R379 WeakPolarHBondContact O-CG 3.15Å; Y375-R379 HydrophobicContact CE1-CG 4.12Å; S376-R379 PolarHBondContact O-N 2.57Å; S376-R379 WeakPolarHBondContact OG-CB 3.23Å; S376-R379 PolarHBondContact OG-N 2.95Å; R377-R379 PolarHBondContact O-N 3.22Å; R379-D382 IonicContact CZ-OD2 2.9Å; R379-D382 IonicContact NH1-OD2 3.06Å; R379-D382 PolarHBondContact NH1-OD2 2.92Å; R379-D382 PolarHBondContact O-N 2.78Å; R379-L383 HydrophobicContact CG-CD1 3.97Å; R379-L383 WeakPolarHBondContact O-CB 3.43Å; R379-L383 VanDerWaalsContact O-CG 3.24Å; R379-L383 WeakPolarHBondContact O-CG 3.45Å; R379-L383 PolarHBondContact O-N 3Å; R379-L383 VanDerWaalsContact O-N 3.12Å
380L77.4Confident71.3Confident8 Ų834.5 Ų34.54%0.04218%0.184CC..Hα-helixtrans-61.5-45.3172.9175.466.3000111.3I374 S376 R377 L383 C384 I598 M602I374-L380 HydrophobicContact CD1-CD1 3.7Å; I374-L380 HydrophobicContact CG1-CD1 4.35Å; I374-L380 HydrophobicContact CG2-CB 4.15Å; I374-L380 HydrophobicContact CG2-CD1 4.39Å; S376-L380 PolarHBondContact O-N 3.18Å; R377-L380 PolarHBondContact O-N 2.86Å; L380-L383 PolarHBondContact O-N 2.84Å; L380-C384 PolarHBondContact O-N 2.82Å; L380-I598 HydrophobicContact CD2-CG2 4.01Å; L380-M602 HydrophobicContact CD2-CG 4.22Å
381L73.8Confident69.7Low55 Ų5531.7 Ų31.729%0.28817%0.169SC..Hα-helixtrans-64.2-38.6178.9-82.9164.8000113.3R377 A378 C384 E599R377-L381 HydrophobicContact CG-CD1 4Å; R377-L381 PolarHBondContact O-N 3.49Å; A378-L381 PolarHBondContact O-N 2.82Å; L381-C384 CarbonylContact O-C 3.6Å; L381-E599 WeakPolarHBondContact CD2-OE1 3.28Å
382D72.6Confident68Low24 Ų2438 Ų3813%0.12821%0.208CC..Hα-helixtrans-69.5-35.6178.1-174.852.1000112Q368 A378 R379 S393Q368-D382 PolarHBondContact NE2-OD2 3.02Å; A378-D382 WeakPolarHBondContact O-CB 3.49Å; A378-D382 PolarHBondContact O-N 2.65Å; R379-D382 IonicContact CZ-OD2 2.9Å; R379-D382 IonicContact NH1-OD2 3.06Å; R379-D382 PolarHBondContact NH1-OD2 2.92Å; R379-D382 PolarHBondContact O-N 2.78Å; D382-S393 VanDerWaalsContact OD1-CB 3.25Å; D382-S393 WeakPolarHBondContact OD1-CB 3.08Å; D382-S393 PolarHBondContact OD1-OG 3.25Å
383L73.4Confident66.4Low2 Ų239.1 Ų39.11%0.0122%0.216CC..Hα-helixtrans-85.6-27.9-179.8-64.7172.1000113.5P372 I374 R379 L380 M464 V466P372-L383 HydrophobicContact CB-CD1 4.17Å; P372-L383 HydrophobicContact CB-CD2 4.37Å; P372-L383 HydrophobicContact CG-CD1 3.9Å; P372-L383 HydrophobicContact CG-CD2 3.66Å; P372-L383 HydrophobicContact CG-CG 4.47Å; I374-L383 HydrophobicContact CG1-CD1 3.83Å; R379-L383 HydrophobicContact CG-CD1 3.97Å; R379-L383 WeakPolarHBondContact O-CB 3.43Å; R379-L383 VanDerWaalsContact O-CG 3.24Å; R379-L383 WeakPolarHBondContact O-CG 3.45Å; R379-L383 PolarHBondContact O-N 3Å; R379-L383 VanDerWaalsContact O-N 3.12Å; L380-L383 PolarHBondContact O-N 2.84Å; L383-M464 HydrophobicContact CD2-CG 4.23Å; L383-V466 HydrophobicContact CD1-CG1 4.23Å; L383-V466 HydrophobicContact CD1-CG2 4.09Å
384C73.9Confident64.8Low0 Ų046.7 Ų46.70%025%0.249CC..SBendtrans-140.283.7-178.9-161.50000110.2L380 L381 H411 C413 R507L380-C384 PolarHBondContact O-N 2.82Å; L381-C384 CarbonylContact O-C 3.6Å; C384-H411 PolarHBondContact SG-O 2.86Å; C384-H411 VanDerWaalsContact SG-O 3.35Å; C384-C413 VanDerWaalsContact CB-SG 3.59Å; C384-R507 WeakPolarHBondContact O-CD 3.37Å
385P68.6Low62.9Low13 Ų1349.3 Ų49.38%0.08426%0.259CS..  trans-73155.8174.829.1-34.7000112.1S389P385-S389 WeakPolarHBondContact CG-O 3.49Å
386T63.2Low61.3Low18 Ų1848.5 Ų48.511%0.1126%0.257CS..SBendtrans-82.1-36.6-170.950.80000114G388 S510T386-G388 VanDerWaalsContact C-N 3.33Å; T386-S510 VanDerWaalsContact CG2-CA 3.48Å
387D52Low59.9Low103 Ų10351.3 Ų51.355%0.55127%0.271SS*.SBendtrans-976.5-165.1-51.9-17000111.9S389D387-S389 PolarHBondContact O-N 2.96Å; D387-S389 VanDerWaalsContact O-N 3.09Å
388G51.2Low58.1Low5 Ų548 Ų485%0.05226%0.26CS..SBendtrans57.613.1-160.100000113.2T386 H409T386-G388 VanDerWaalsContact C-N 3.33Å; G388-H409 CarbonylContact C-O 3.54Å; G388-H409 WeakPolarHBondContact CA-O 3.21Å; G388-H409 PolarHBondContact O-N 3.39Å; G388-H409 VanDerWaalsContact O-N 3.12Å
389S50.4Low56.7Low53 Ų5348.3 Ų48.337%0.37126%0.259SS..PPolyproline II helixtrans-69.3148.7176.357.30000109.6P385 D387P385-S389 WeakPolarHBondContact CG-O 3.49Å; D387-S389 PolarHBondContact O-N 2.96Å; D387-S389 VanDerWaalsContact O-N 3.09Å
390K49.4Very low55Low112 Ų11249.3 Ų49.349%0.48727%0.266SS..PPolyproline II helixtrans-52.5129.7177.4-160.4169.3-166.9-170.40109.3T392 L397K390-T392 PolarHBondContact O-N 3.13Å; K390-L397 HydrophobicContact CD-CD1 3.36Å; K390-L397 HydrophobicContact CD-CG 4.05Å; K390-L397 HydrophobicContact CG-CD1 3.83Å
391P50.3Low53.1Low10 Ų1056.6 Ų56.67%0.06530%0.297CS..PPolyproline II helixtrans-54.3137.9-179.221.3-32.9000110.5S393 A396P391-S393 VanDerWaalsContact C-N 3.27Å; P391-S393 PolarHBondContact O-N 3.38Å; P391-A396 HydrophobicContact CB-CB 3.48Å; P391-A396 VanDerWaalsContact CB-CB 3.48Å; P391-A396 HydrophobicContact CG-CB 3.31Å
392T50.9Low51.5Low136 Ų13663.7 Ų63.783%0.83432%0.32SS*.SBendtrans-71.2-23.1-166.651.90000113.2K390 K394K390-T392 PolarHBondContact O-N 3.13Å; T392-K394 PolarHBondContact O-N 2.86Å
393S53.2Low49.8Very low24 Ų2472.6 Ų72.617%0.16835%0.354CS..SBendtrans-72.9128176.280.60000109.4D382 P391 Y395 A396 L397D382-S393 VanDerWaalsContact OD1-CB 3.25Å; D382-S393 WeakPolarHBondContact OD1-CB 3.08Å; D382-S393 PolarHBondContact OD1-OG 3.25Å; P391-S393 VanDerWaalsContact C-N 3.27Å; P391-S393 PolarHBondContact O-N 3.38Å; S393-Y395 PolarHBondContact O-N 2.97Å; S393-A396 PolarHBondContact O-N 3.25Å; S393-A396 WeakPolarHBondContact OG-CB 3.26Å; S393-A396 PolarHBondContact OG-N 2.97Å; S393-L397 PolarHBondContact O-N 3.12Å
394K48.6Very low48Very low160 Ų16078.9 Ų78.970%0.69639%0.387SS*.Hα-helixtrans-50.5-26.5167.5-80.2-174.6175.1-178.90111.6L364 T392 L397L364-K394 HydrophobicContact CD2-CB 4.09Å; T392-K394 PolarHBondContact O-N 2.86Å; K394-L397 WeakPolarHBondContact O-CB 3.14Å; K394-L397 PolarHBondContact O-N 2.89Å
395Y42.6Very low46.4Very low57 Ų5785.5 Ų85.522%0.22442%0.422CS..Hα-helixtrans-65.4-43.4177.5-62.3-74.7000113.6H306 L364 S367 S393 L397H306-Y395 AromaticContact CD2-CD2 3.7Å; H306-Y395 AromaticContact CD2-CE1 3.74Å; H306-Y395 AromaticContact CD2-CE2 3.38Å; H306-Y395 WeakPolarHBondContact CD2-CE2 3.14Å; H306-Y395 AromaticContact CD2-CZ 3.42Å; H306-Y395 VanDerWaalsContact CD2-CZ 3.42Å; H306-Y395 AromaticContact NE2-CD2 3.55Å; H306-Y395 AromaticContact NE2-CE2 3.26Å; H306-Y395 VanDerWaalsContact NE2-CE2 3.26Å; H306-Y395 WeakPolarHBondContact NE2-CE2 3.44Å; H306-Y395 AromaticContact NE2-CZ 3.8Å; L364-Y395 HydrophobicContact CB-CD1 4.39Å; L364-Y395 HydrophobicContact CD2-CD1 3.42Å; L364-Y395 VanDerWaalsContact CD2-CD1 3.42Å; L364-Y395 HydrophobicContact CD2-CD2 4.47Å; L364-Y395 HydrophobicContact CD2-CE1 3.21Å; L364-Y395 HydrophobicContact CD2-CE2 4.33Å; L364-Y395 HydrophobicContact CD2-CG 4.03Å; L364-Y395 HydrophobicContact CG-CD1 4.25Å; L364-Y395 HydrophobicContact CG-CE1 3.97Å; S367-Y395 WeakPolarHBondContact OG-CB 3.22Å; S393-Y395 PolarHBondContact O-N 2.97Å; Y395-L397 VanDerWaalsContact C-N 3.28Å
396A42.6Very low44.9Very low7 Ų794.2 Ų94.26%0.05846%0.462CS..Hα-helixtrans-77.2-18.8174.800000112.5P391 S393 S399P391-A396 HydrophobicContact CB-CB 3.48Å; P391-A396 VanDerWaalsContact CB-CB 3.48Å; P391-A396 HydrophobicContact CG-CB 3.31Å; S393-A396 PolarHBondContact O-N 3.25Å; S393-A396 WeakPolarHBondContact OG-CB 3.26Å; S393-A396 PolarHBondContact OG-N 2.97Å; A396-S399 PolarHBondContact O-OG 3.08Å; A396-S399 VanDerWaalsContact O-OG 3.05Å
397L42.4Very low44Very low73 Ų7395.6 Ų95.638%0.38247%0.472SS..Hα-helixtrans-68-34.5178.2-152.4111.1000113.4K390 S393 K394 Y395 D400K390-L397 HydrophobicContact CD-CD1 3.36Å; K390-L397 HydrophobicContact CD-CG 4.05Å; K390-L397 HydrophobicContact CG-CD1 3.83Å; S393-L397 PolarHBondContact O-N 3.12Å; K394-L397 WeakPolarHBondContact O-CB 3.14Å; K394-L397 PolarHBondContact O-N 2.89Å; Y395-L397 VanDerWaalsContact C-N 3.28Å; L397-D400 PolarHBondContact O-N 3.48Å
398E37.2Very low43.8Very low50 Ų5096.4 Ų96.423%0.23448%0.477CS..Hα-helixtrans-91.8-21.2-169.1-155.9161-160.300113.4L364 A365 D400L364-E398 WeakPolarHBondContact CB-OE2 3.27Å; A365-E398 HydrophobicContact CB-CG 4.21Å; E398-D400 PolarHBondContact O-N 2.89Å
399S41.2Very low44Very low78 Ų7898.7 Ų98.755%0.54549%0.486SS..THydrogen-bonded Turntrans-67.1-18.7161.454.80000112.1A396A396-S399 PolarHBondContact O-OG 3.08Å; A396-S399 VanDerWaalsContact O-OG 3.05Å
400D41.3Very low44.6Very low48 Ų4898.5 Ų98.526%0.25748%0.477SS..THydrogen-bonded Turntrans-104.531.1-172.6-147.520.5000113.6L397 E398 R402L397-D400 PolarHBondContact O-N 3.48Å; E398-D400 PolarHBondContact O-N 2.89Å; D400-R402 VanDerWaalsContact C-N 3.32Å; D400-R402 PolarHBondContact O-N 2.79Å
401K36.6Very low45.7Very low161 Ų16193.9 Ų93.970%0.746%0.457SS*.  trans-59.291.4171.5-78.6-179.1-178.2170.40110
402R41.2Very low47.1Very low203 Ų20393.4 Ų93.477%0.76645%0.454SS*.  trans-156.8133.5157.7-105.7167.6-147.7-146.37.4114.4D400D400-R402 VanDerWaalsContact C-N 3.32Å; D400-R402 PolarHBondContact O-N 2.79Å
403Y35.9Very low48.8Very low212 Ų21286.9 Ų86.983%0.83141%0.414SS*.  trans-0.8122.5158.5-80.5-98.3000120.3
404N35.5Very low50.4Low134 Ų13485.9 Ų85.972%0.71741%0.407SS*.  trans69.6127.1150-63.7-5.5000120
405D39.8Very low52.2Low138 Ų13878.4 Ų78.474%0.73837%0.374SS*.SBendtrans34.6106.9144.2-62.8-15.4000119.3S407D405-S407 PolarHBondContact O-N 3.42Å
406H37Very low54.4Low196 Ų19675.7 Ų75.791%0.90736%0.364SS*.  trans40.668.2146.6-55.6-57000117.3
407S45.8Very low56.5Low48 Ų4875.5 Ų75.534%0.33636%0.362SS..  trans-114.5129.815667.40000110D405 H409D405-S407 PolarHBondContact O-N 3.42Å; S407-H409 PolarHBondContact O-CD2 3.06Å; S407-H409 PolarHBondContact O-N 3.04Å; S407-H409 PolarHBondContact OG-CE1 3.24Å; S407-H409 PolarHBondContact OG-NE2 3.2Å; S407-H409 VanDerWaalsContact OG-NE2 3.13Å
408N47.5Very low58.5Low120 Ų12072 Ų7264%0.64234%0.343SS*.  trans-6396.8171.8-67.5-17.4000108R410N408-R410 PolarHBondContact O-N 3.24Å; N408-R410 VanDerWaalsContact O-N 3.12Å
409H54.7Low60.5Low53 Ų5370.8 Ų70.825%0.24534%0.339CS..  trans-74.5103.2177.2-67-81.6000107.7G388 S407 H411 H462G388-H409 CarbonylContact C-O 3.54Å; G388-H409 WeakPolarHBondContact CA-O 3.21Å; G388-H409 PolarHBondContact O-N 3.39Å; G388-H409 VanDerWaalsContact O-N 3.12Å; S407-H409 PolarHBondContact O-CD2 3.06Å; S407-H409 PolarHBondContact O-N 3.04Å; S407-H409 PolarHBondContact OG-CE1 3.24Å; S407-H409 PolarHBondContact OG-NE2 3.2Å; S407-H409 VanDerWaalsContact OG-NE2 3.13Å; H409-H411 PolarHBondContact O-CD2 3.08Å; H409-H411 PolarHBondContact O-N 3.38Å; H409-H462 AromaticContact CE1-NE2 3.74Å; H409-H462 AromaticContact CG-NE2 3.96Å; H409-H462 AromaticContact ND1-CD2 3.41Å; H409-H462 PolarHBondContact ND1-CD2 3.27Å; H409-H462 AromaticContact ND1-NE2 2.98Å; H409-H462 PolarHBondContact ND1-NE2 3.14Å
410R63.4Low62Low48 Ų4868.5 Ų68.518%0.18132%0.322CS..EExtended strand (participates in β ladder)trans-80.6119.1173.8-69.2-166.2-174.7-9516.3108.9N408 S460 Y461 H462 I508 D570N408-R410 PolarHBondContact O-N 3.24Å; N408-R410 VanDerWaalsContact O-N 3.12Å; R410-S460 PolarHBondContact N-O 3.37Å; R410-Y461 HydrophobicContact CB-CD1 4.04Å; R410-Y461 HydrophobicContact CB-CE1 4.27Å; R410-H462 PolarHBondContact O-N 3.02Å; R410-I508 PolarHBondContact NH1-O 3.42Å; R410-D570 WeakPolarHBondContact CD-OD2 3.46Å; R410-D570 IonicContact CZ-OD1 3.47Å; R410-D570 VanDerWaalsContact CZ-OD1 3.31Å; R410-D570 IonicContact CZ-OD2 2.8Å; R410-D570 IonicContact NE-OD1 3.12Å; R410-D570 PolarHBondContact NE-OD1 2.96Å; R410-D570 IonicContact NE-OD2 3.31Å; R410-D570 PolarHBondContact NE-OD2 3.28Å; R410-D570 IonicContact NH2-OD1 2.85Å; R410-D570 PolarHBondContact NH2-OD1 3.2Å; R410-D570 IonicContact NH2-OD2 3.89Å
411H73.3Confident63.2Low15 Ų1573.9 Ų73.97%0.06934%0.344CS..EExtended strand (participates in β ladder)trans-88.8118.2176.9-67.1-84.6000110.6C384 H409C384-H411 PolarHBondContact SG-O 2.86Å; C384-H411 VanDerWaalsContact SG-O 3.35Å; H409-H411 PolarHBondContact O-CD2 3.08Å; H409-H411 PolarHBondContact O-N 3.38Å
412L79.6Confident64.4Low0 Ų069 Ų690%032%0.323CS..EExtended strand (participates in β ladder)trans-98.6114.5173.2-65.2162.4000108Y461 H462 F463 M464 L504 W506 V566L412-Y461 HydrophobicContact CD1-CD1 3.95Å; L412-Y461 HydrophobicContact CD1-CG 4.18Å; L412-H462 PolarHBondContact N-O 3.26Å; L412-F463 HydrophobicContact CB-CD1 3.82Å; L412-F463 HydrophobicContact CB-CE1 3.79Å; L412-F463 HydrophobicContact CB-CG 4.48Å; L412-F463 HydrophobicContact CB-CZ 4.42Å; L412-F463 HydrophobicContact CD1-CD1 4.32Å; L412-F463 HydrophobicContact CD1-CE1 3.61Å; L412-F463 HydrophobicContact CD1-CE2 3.94Å; L412-F463 HydrophobicContact CD1-CZ 3.4Å; L412-F463 VanDerWaalsContact CD1-CZ 3.4Å; L412-F463 HydrophobicContact CG-CE1 4.31Å; L412-F463 CarbonylContact O-C 3.59Å; L412-F463 WeakPolarHBondContact O-CA 3.2Å; L412-M464 PolarHBondContact O-N 3.46Å; L412-L504 HydrophobicContact CB-CD1 4.39Å; L412-L504 HydrophobicContact CD2-CD2 3.99Å; L412-W506 HydrophobicContact CD2-CB 3.7Å; L412-W506 HydrophobicContact CD2-CD2 4.17Å; L412-W506 HydrophobicContact CD2-CG 3.56Å; L412-V566 HydrophobicContact CD2-CG2 4.41Å
413C85.6Confident64.9Low0 Ų064.2 Ų64.20%032%0.321CS..EExtended strand (participates in β ladder)trans-86.6115.7178-81.50000110.5C384 V415 M464 V466 L504 I505C384-C413 VanDerWaalsContact CB-SG 3.59Å; C413-V415 HydrophobicContact CB-CG2 4.17Å; C413-V415 PolarHBondContact O-N 3.41Å; C413-M464 CarbonylContact C-O 3.59Å; C413-M464 WeakPolarHBondContact CA-O 3.35Å; C413-V466 HydrophobicContact CB-CG2 4.47Å; C413-L504 CarbonylContact O-C 3.56Å; C413-L504 WeakPolarHBondContact O-CA 3.49Å; C413-I505 HydrophobicContact CB-CB 4.22Å; C413-I505 PolarHBondContact N-O 2.79Å; C413-I505 PolarHBondContact O-N 3.27Å
414L86.8Confident65.7Low3 Ų357.4 Ų57.42%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-86.8101170.7-173.6107.7000108.6L439 M464 P465 V466 L502 A503 F518 L559L414-L439 HydrophobicContact CD2-CD1 3.93Å; L414-M464 PolarHBondContact N-O 2.9Å; L414-P465 CarbonylContact O-C 3.51Å; L414-P465 WeakPolarHBondContact O-CA 3.37Å; L414-V466 PolarHBondContact O-N 3.4Å; L414-V466 VanDerWaalsContact O-O 3.12Å; L414-L502 HydrophobicContact CD2-CD1 4.28Å; L414-L502 HydrophobicContact CD2-CD2 3.91Å; L414-L502 HydrophobicContact CG-CD2 4.27Å; L414-A503 CarbonylContact C-O 3.44Å; L414-F518 HydrophobicContact CD1-CE2 3.94Å; L414-F518 HydrophobicContact CD1-CZ 3.89Å; L414-L559 HydrophobicContact CD1-CD2 4.07Å
415V87.2Confident66.8Low2 Ų251.3 Ų51.31%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-96.8119.9-172.4-1770000111.3C413 L417 V466 I468 L502 A503 I505C413-V415 HydrophobicContact CB-CG2 4.17Å; C413-V415 PolarHBondContact O-N 3.41Å; V415-L417 HydrophobicContact CG1-CD2 4.18Å; V415-V466 CarbonylContact C-O 3.57Å; V415-V466 VanDerWaalsContact CA-O 3.29Å; V415-V466 WeakPolarHBondContact CA-O 3.16Å; V415-V466 HydrophobicContact CG2-CB 4.47Å; V415-I468 HydrophobicContact CG1-CB 4.03Å; V415-I468 HydrophobicContact CG1-CD1 3.75Å; V415-I468 HydrophobicContact CG1-CG1 3.76Å; V415-L502 WeakPolarHBondContact O-CA 3.34Å; V415-A503 PolarHBondContact N-O 2.78Å; V415-A503 PolarHBondContact O-N 3.21Å; V415-I505 HydrophobicContact CG2-CB 4.42Å; V415-I505 HydrophobicContact CG2-CD1 3.69Å; V415-I505 HydrophobicContact CG2-CG1 3.85Å
416L88.2Confident67.9Low0 Ų047.4 Ų47.40%024%0.244CC..EExtended strand (participates in β ladder)trans-82.5122166.2-177.566.6000110.3L418 W435 L436 L439 V466 H467 I468 L502 P526L416-L418 HydrophobicContact CD2-CD1 4.38Å; L416-L418 HydrophobicContact CD2-CD2 3.99Å; L416-L418 HydrophobicContact CD2-CG 4.25Å; L416-L418 HydrophobicContact CG-CD2 4.06Å; L416-L418 HydrophobicContact CG-CG 4.2Å; L416-W435 HydrophobicContact CD2-CB 4.4Å; L416-L436 HydrophobicContact CD2-CD2 3.75Å; L416-L436 HydrophobicContact CD2-CG 4.09Å; L416-L439 HydrophobicContact CB-CD2 3.9Å; L416-L439 HydrophobicContact CD2-CD2 4.08Å; L416-L439 HydrophobicContact CG-CD2 4.43Å; L416-V466 PolarHBondContact N-O 3.09Å; L416-H467 HydrophobicContact CB-CB 4.06Å; L416-H467 WeakPolarHBondContact O-CA 3.3Å; L416-I468 PolarHBondContact O-N 2.88Å; L416-L502 HydrophobicContact CB-CD2 4.21Å; L416-L502 HydrophobicContact CD1-CD2 3.96Å; L416-P526 HydrophobicContact CD1-CG 4.23Å
417L85.5Confident69.3Low3 Ų342.8 Ų42.82%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-86.5118.6178.2-58.8176000110.4V415 V470 M477 L493 G500 R501 A503 L517V415-L417 HydrophobicContact CG1-CD2 4.18Å; L417-V470 HydrophobicContact CB-CG2 3.94Å; L417-V470 HydrophobicContact CD2-CG2 3.9Å; L417-V470 HydrophobicContact CG-CG2 4.43Å; L417-M477 HydrophobicContact CD2-SD 4.14Å; L417-L493 HydrophobicContact CD1-CD2 3.57Å; L417-G500 WeakPolarHBondContact O-CA 3.46Å; L417-G500 PolarHBondContact O-N 3.27Å; L417-R501 PolarHBondContact N-O 3.12Å; L417-A503 HydrophobicContact CD1-CB 4.34Å; L417-A503 HydrophobicContact CG-CB 4.46Å; L417-L517 HydrophobicContact CD1-CD1 4.18Å
418L85Confident70.2Confident0 Ų044.5 Ų44.50%023%0.227CC..EExtended strand (participates in β ladder)trans-121161.7177.5-61.6179.5000110.7L416 W435 L436 H467 I468 Y469 V470L416-L418 HydrophobicContact CD2-CD1 4.38Å; L416-L418 HydrophobicContact CD2-CD2 3.99Å; L416-L418 HydrophobicContact CD2-CG 4.25Å; L416-L418 HydrophobicContact CG-CD2 4.06Å; L416-L418 HydrophobicContact CG-CG 4.2Å; L418-W435 HydrophobicContact CD2-CE3 3.59Å; L418-W435 HydrophobicContact CD2-CZ3 4.12Å; L418-L436 HydrophobicContact CD1-CD1 4.12Å; L418-L436 HydrophobicContact CD1-CD2 4.46Å; L418-L436 HydrophobicContact CD1-CG 4.21Å; L418-H467 HydrophobicContact CD1-CB 4.33Å; L418-I468 PolarHBondContact N-O 2.73Å; L418-Y469 HydrophobicContact CB-CD1 3.61Å; L418-Y469 HydrophobicContact CB-CE1 3.67Å; L418-Y469 HydrophobicContact CD1-CE1 3.96Å; L418-Y469 HydrophobicContact CG-CE1 4.49Å; L418-Y469 CarbonylContact O-C 3.57Å; L418-Y469 WeakPolarHBondContact O-CA 3.19Å; L418-V470 WeakPolarHBondContact O-CG2 3.43Å; L418-V470 PolarHBondContact O-N 3.15Å
419N80.6Confident71.2Confident25 Ų2544.7 Ų44.713%0.13423%0.228CC..  trans-128120.9174.6-177.3-15.8000109.7K421 Q422 V425 D471 I499N419-K421 VanDerWaalsContact C-N 3.27Å; N419-K421 PolarHBondContact O-N 3.19Å; N419-K421 WeakPolarHBondContact OD1-CB 3.31Å; N419-K421 PolarHBondContact OD1-N 2.93Å; N419-Q422 HydrophobicContact CB-CG 4.41Å; N419-Q422 PolarHBondContact O-N 3.34Å; N419-V425 WeakPolarHBondContact O-CG2 3.49Å; N419-D471 WeakPolarHBondContact OD1-CB 3.47Å; N419-D471 PolarHBondContact OD1-OD1 3.07Å; N419-D471 PolarHBondContact OD1-OD2 3.17Å; N419-I499 HydrophobicContact CB-CD1 3.55Å; N419-I499 HydrophobicContact CB-CG1 3.93Å; N419-I499 HydrophobicContact CB-CG2 4.04Å; N419-I499 WeakPolarHBondContact ND2-CD1 3.21Å
420S72.4Confident72.2Confident29 Ų2942.6 Ų42.620%0.20322%0.219CC..THydrogen-bonded Turntrans-70.8-20.8-17690.10000114.1D471 R472S420-D471 WeakPolarHBondContact CB-OD2 3.47Å; S420-D471 VanDerWaalsContact N-CG 3.31Å; S420-D471 PolarHBondContact N-OD1 3.47Å; S420-D471 PolarHBondContact N-OD2 2.87Å; S420-D471 PolarHBondContact OG-OD2 3.43Å; S420-R472 PolarHBondContact OG-NE 2.92Å
421K64.9Low72.8Confident162 Ų16242.9 Ų42.970%0.70422%0.22SC*.THydrogen-bonded Turntrans-76.3-20.9178.4-68-179.4-176.8175.90114.2N419 S423 D471N419-K421 VanDerWaalsContact C-N 3.27Å; N419-K421 PolarHBondContact O-N 3.19Å; N419-K421 WeakPolarHBondContact OD1-CB 3.31Å; N419-K421 PolarHBondContact OD1-N 2.93Å; K421-S423 PolarHBondContact O-N 2.82Å; K421-D471 PolarHBondContact N-OD2 3.21Å
422Q62Low73Confident58 Ų5842.1 Ų42.127%0.27122%0.217SC..SBendtrans-61.4115170.2-73.5-178.6-20.300106.1N419 N424 V425N419-Q422 HydrophobicContact CB-CG 4.41Å; N419-Q422 PolarHBondContact O-N 3.34Å; Q422-N424 PolarHBondContact O-N 2.97Å; Q422-V425 HydrophobicContact CB-CG2 3.99Å; Q422-V425 WeakPolarHBondContact O-CG2 3.38Å; Q422-V425 PolarHBondContact O-N 3.01Å; Q422-V425 VanDerWaalsContact O-N 3.12Å
423S51.4Low72.9Confident102 Ų10242.8 Ų42.871%0.71322%0.221SC*.THydrogen-bonded Turntrans-50.2-10.3-148.344.50000118.2K421K421-S423 PolarHBondContact O-N 2.82Å
424N54.2Low72.7Confident69 Ų6943.3 Ų43.337%0.36922%0.223SC..THydrogen-bonded Turntrans-136.39.2-170.8-65.6-31.6000114.1Q422 E426 Q427 S430Q422-N424 PolarHBondContact O-N 2.97Å; N424-E426 PolarHBondContact O-N 3.49Å; N424-Q427 HydrophobicContact CB-CB 4.19Å; N424-Q427 HydrophobicContact CB-CG 4.34Å; N424-Q427 WeakPolarHBondContact O-CA 3.29Å; N424-Q427 VanDerWaalsContact O-CB 3.31Å; N424-Q427 WeakPolarHBondContact O-CB 3.2Å; N424-Q427 PolarHBondContact O-N 3.42Å; N424-Q427 PolarHBondContact OD1-NE2 3.03Å; N424-Q427 VanDerWaalsContact OD1-NE2 3.14Å; N424-Q427 PolarHBondContact OD1-OE1 3.38Å; N424-S430 VanDerWaalsContact C-CB 3.47Å; N424-S430 WeakPolarHBondContact O-CB 3.28Å; N424-S430 PolarHBondContact O-OG 3.31Å
425V57.3Low72.6Confident7 Ų743.7 Ų43.74%0.04222%0.224CC..THydrogen-bonded Turntrans-54.5-36.2-168.5177.50000114N419 Q422 S430 Y469N419-V425 WeakPolarHBondContact O-CG2 3.49Å; Q422-V425 HydrophobicContact CB-CG2 3.99Å; Q422-V425 WeakPolarHBondContact O-CG2 3.38Å; Q422-V425 PolarHBondContact O-N 3.01Å; Q422-V425 VanDerWaalsContact O-N 3.12Å; V425-S430 WeakPolarHBondContact CA-OG 3.29Å; V425-S430 PolarHBondContact O-OG 3.17Å; V425-Y469 HydrophobicContact CB-CE1 4.46Å; V425-Y469 HydrophobicContact CG1-CE1 3.56Å
426E62.5Low72.5Confident55 Ų5543.9 Ų43.926%0.25723%0.226SC..THydrogen-bonded Turntrans-74.5-27176.3-65.1-176.717800112.9Y273 R276 N424 R472Y273-E426 WeakPolarHBondContact CE2-O 3.43Å; Y273-E426 PolarHBondContact OH-O 2.76Å; R276-E426 WeakPolarHBondContact CD-O 3.17Å; N424-E426 PolarHBondContact O-N 3.49Å; E426-R472 IonicContact OE1-CZ 2.79Å; E426-R472 VanDerWaalsContact OE1-CZ 3.25Å; E426-R472 IonicContact OE1-NH1 2.76Å; E426-R472 PolarHBondContact OE1-NH1 3.38Å; E426-R472 IonicContact OE1-NH2 3.57Å; E426-R472 PolarHBondContact OE1-NH2 2.99Å
427Q67Low72.3Confident100 Ų10045.4 Ų45.447%0.46724%0.235SC..SBendtrans-67.9154-180-60-178.45.800113.3Y273 N424 S430Y273-Q427 WeakPolarHBondContact OH-CA 3.42Å; Y273-Q427 PolarHBondContact OH-N 2.97Å; N424-Q427 HydrophobicContact CB-CB 4.19Å; N424-Q427 HydrophobicContact CB-CG 4.34Å; N424-Q427 WeakPolarHBondContact O-CA 3.29Å; N424-Q427 VanDerWaalsContact O-CB 3.31Å; N424-Q427 WeakPolarHBondContact O-CB 3.2Å; N424-Q427 PolarHBondContact O-N 3.42Å; N424-Q427 PolarHBondContact OD1-NE2 3.03Å; N424-Q427 VanDerWaalsContact OD1-NE2 3.14Å; N424-Q427 PolarHBondContact OD1-OE1 3.38Å; Q427-S430 VanDerWaalsContact O-CB 3.3Å; Q427-S430 WeakPolarHBondContact O-CB 3.34Å; Q427-S430 PolarHBondContact O-N 3.4Å; Q427-S430 PolarHBondContact O-OG 3.15Å
428I66Low72.3Confident84 Ų8445.2 Ų45.243%0.43123%0.234SC..THydrogen-bonded Turntrans-63.7137.1175.8-56.9174.1000109.7Y273 S430Y273-I428 HydrophobicContact CD2-CD1 4.23Å; Y273-I428 HydrophobicContact CD2-CG1 3.81Å; Y273-I428 HydrophobicContact CE2-CG1 3.76Å; I428-S430 PolarHBondContact O-N 2.87Å
429N68.3Low72.4Confident123 Ų12345.2 Ų45.266%0.65823%0.234SC*.THydrogen-bonded Turntrans64.422-179.2-54.4-39.8000114.9D433N429-D433 PolarHBondContact N-OD2 3.07Å
430S75Confident72.7Confident9 Ų946 Ų466%0.06324%0.235CC..  trans-74.2167.4171.1750000112.6N424 V425 Q427 I428 G432 D433 I434N424-S430 VanDerWaalsContact C-CB 3.47Å; N424-S430 WeakPolarHBondContact O-CB 3.28Å; N424-S430 PolarHBondContact O-OG 3.31Å; V425-S430 WeakPolarHBondContact CA-OG 3.29Å; V425-S430 PolarHBondContact O-OG 3.17Å; Q427-S430 VanDerWaalsContact O-CB 3.3Å; Q427-S430 WeakPolarHBondContact O-CB 3.34Å; Q427-S430 PolarHBondContact O-N 3.4Å; Q427-S430 PolarHBondContact O-OG 3.15Å; I428-S430 PolarHBondContact O-N 2.87Å; S430-G432 VanDerWaalsContact C-N 3.3Å; S430-G432 PolarHBondContact O-N 3.31Å; S430-D433 WeakPolarHBondContact O-CB 3.43Å; S430-D433 PolarHBondContact O-N 3.48Å; S430-D433 VanDerWaalsContact O-N 3.13Å; S430-D433 WeakPolarHBondContact OG-CB 3.12Å; S430-D433 PolarHBondContact OG-N 3.29Å; S430-D433 VanDerWaalsContact OG-N 3.16Å; S430-I434 VanDerWaalsContact O-CG1 3.24Å; S430-I434 WeakPolarHBondContact O-CG1 3.37Å; S430-I434 PolarHBondContact O-N 3.29Å
431W75.7Confident73.4Confident54 Ų5449.6 Ų49.621%0.20524%0.244CC..Hα-helixtrans-57.2-43174.8-71.3114.6000113D433 I434 W435 L530 E532 L535W431-D433 VanDerWaalsContact C-N 3.32Å; W431-D433 PolarHBondContact O-N 3.46Å; W431-I434 HydrophobicContact CE3-CD1 4.26Å; W431-I434 HydrophobicContact CZ3-CD1 4.46Å; W431-I434 PolarHBondContact O-N 2.96Å; W431-W435 HydrophobicContact CB-CH2 4.14Å; W431-W435 HydrophobicContact CB-CZ2 4.04Å; W431-W435 HydrophobicContact CB-CZ3 4.43Å; W431-W435 WeakPolarHBondContact O-CB 3.34Å; W431-W435 VanDerWaalsContact O-CD2 3.24Å; W431-W435 PolarHBondContact O-N 3.49Å; W431-L530 HydrophobicContact CZ3-CB 4.13Å; W431-E532 VanDerWaalsContact CZ2-CA 3.45Å; W431-E532 HydrophobicContact CZ2-CB 4.08Å; W431-E532 HydrophobicContact CZ2-CG 3.87Å; W431-L535 HydrophobicContact CH2-CD1 3.36Å; W431-L535 HydrophobicContact CZ2-CD1 3.53Å; W431-L535 HydrophobicContact CZ3-CD1 4.31Å
432G77.5Confident74.4Confident0 Ų042 Ų420%021%0.211CC..Hα-helixtrans-64.4-37.7176.300000112.5S430 W435 L436S430-G432 VanDerWaalsContact C-N 3.3Å; S430-G432 PolarHBondContact O-N 3.31Å; G432-W435 PolarHBondContact O-N 3.09Å; G432-L436 WeakPolarHBondContact O-CB 3.46Å; G432-L436 VanDerWaalsContact O-CG 3.31Å; G432-L436 WeakPolarHBondContact O-CG 3.39Å; G432-L436 PolarHBondContact O-N 2.76Å
433D77.9Confident75.4Confident14 Ų1440.5 Ų40.58%0.07521%0.205CC..Hα-helixtrans-65.5-42.9175.3-169.334.5000112.1R276 N429 S430 W431 L436 T437R276-D433 IonicContact CZ-OD1 3.74Å; R276-D433 VanDerWaalsContact NH2-CG 3.27Å; R276-D433 IonicContact NH2-OD1 3.7Å; R276-D433 PolarHBondContact NH2-OD1 2.85Å; R276-D433 IonicContact NH2-OD2 3.45Å; R276-D433 PolarHBondContact NH2-OD2 3.34Å; N429-D433 PolarHBondContact N-OD2 3.07Å; S430-D433 WeakPolarHBondContact O-CB 3.43Å; S430-D433 PolarHBondContact O-N 3.48Å; S430-D433 VanDerWaalsContact O-N 3.13Å; S430-D433 WeakPolarHBondContact OG-CB 3.12Å; S430-D433 PolarHBondContact OG-N 3.29Å; S430-D433 VanDerWaalsContact OG-N 3.16Å; W431-D433 VanDerWaalsContact C-N 3.32Å; W431-D433 PolarHBondContact O-N 3.46Å; D433-L436 PolarHBondContact O-N 2.95Å; D433-T437 VanDerWaalsContact O-CB 3.24Å; D433-T437 WeakPolarHBondContact O-CB 3.19Å; D433-T437 PolarHBondContact O-N 3.38Å; D433-T437 PolarHBondContact O-OG1 3.38Å
434I80.7Confident76.8Confident11 Ų1142.2 Ų42.26%0.05620%0.202CC..Hα-helixtrans-62-46175.8-67.2164.6000110.1S430 W431 T437 M438 L530 I544S430-I434 VanDerWaalsContact O-CG1 3.24Å; S430-I434 WeakPolarHBondContact O-CG1 3.37Å; S430-I434 PolarHBondContact O-N 3.29Å; W431-I434 HydrophobicContact CE3-CD1 4.26Å; W431-I434 HydrophobicContact CZ3-CD1 4.46Å; W431-I434 PolarHBondContact O-N 2.96Å; I434-T437 PolarHBondContact O-N 2.97Å; I434-M438 WeakPolarHBondContact O-CG 3.37Å; I434-M438 PolarHBondContact O-N 3.18Å; I434-L530 HydrophobicContact CG2-CD1 3.3Å; I434-I544 HydrophobicContact CG2-CD1 4.38Å
435W85.2Confident77.9Confident10 Ų1043.5 Ų43.54%0.03821%0.208CC..Hα-helixtrans-66.6-41.5179.1-62.5-24.8000112.7L416 L418 W431 G432 T437 M438 L439 I499 P526 R527L416-W435 HydrophobicContact CD2-CB 4.4Å; L418-W435 HydrophobicContact CD2-CE3 3.59Å; L418-W435 HydrophobicContact CD2-CZ3 4.12Å; W431-W435 HydrophobicContact CB-CH2 4.14Å; W431-W435 HydrophobicContact CB-CZ2 4.04Å; W431-W435 HydrophobicContact CB-CZ3 4.43Å; W431-W435 WeakPolarHBondContact O-CB 3.34Å; W431-W435 VanDerWaalsContact O-CD2 3.24Å; W431-W435 PolarHBondContact O-N 3.49Å; G432-W435 PolarHBondContact O-N 3.09Å; W435-T437 VanDerWaalsContact C-N 3.32Å; W435-M438 PolarHBondContact O-N 3.27Å; W435-L439 WeakPolarHBondContact O-CB 3.49Å; W435-L439 PolarHBondContact O-N 3.09Å; W435-I499 HydrophobicContact CH2-CG2 4.13Å; W435-I499 HydrophobicContact CZ3-CG2 3.82Å; W435-P526 HydrophobicContact CB-CB 3.86Å; W435-P526 HydrophobicContact CB-CG 4.26Å; W435-P526 VanDerWaalsContact CD1-CB 3.49Å; W435-P526 HydrophobicContact CG-CB 3.77Å; W435-R527 HydrophobicContact CZ2-CB 4.3Å; W435-R527 HydrophobicContact CZ2-CG 4.41Å
436L85Confident78.9Confident7 Ų743.2 Ų43.24%0.03721%0.206CC..Hα-helixtrans-63-40.5173.4-77.4168.8000111.4I371 L416 L418 G432 D433 L439 R440 H467I371-L436 HydrophobicContact CG2-CD2 4.12Å; L416-L436 HydrophobicContact CD2-CD2 3.75Å; L416-L436 HydrophobicContact CD2-CG 4.09Å; L418-L436 HydrophobicContact CD1-CD1 4.12Å; L418-L436 HydrophobicContact CD1-CD2 4.46Å; L418-L436 HydrophobicContact CD1-CG 4.21Å; G432-L436 WeakPolarHBondContact O-CB 3.46Å; G432-L436 VanDerWaalsContact O-CG 3.31Å; G432-L436 WeakPolarHBondContact O-CG 3.39Å; G432-L436 PolarHBondContact O-N 2.76Å; D433-L436 PolarHBondContact O-N 2.95Å; L436-L439 PolarHBondContact O-N 3.14Å; L436-R440 WeakPolarHBondContact O-CB 3.28Å; L436-R440 PolarHBondContact O-N 3.44Å; L436-H467 HydrophobicContact CD2-CB 4.06Å
437T83.5Confident79.6Confident31 Ų3147.1 Ų47.119%0.1922%0.224CC..Hα-helixtrans-66-41.9177.2-60.80000111.3D433 I434 W435 R440 R441D433-T437 VanDerWaalsContact O-CB 3.24Å; D433-T437 WeakPolarHBondContact O-CB 3.19Å; D433-T437 PolarHBondContact O-N 3.38Å; D433-T437 PolarHBondContact O-OG1 3.38Å; I434-T437 PolarHBondContact O-N 2.97Å; W435-T437 VanDerWaalsContact C-N 3.32Å; T437-R440 PolarHBondContact O-N 3.13Å; T437-R441 WeakPolarHBondContact O-CG 3.39Å; T437-R441 PolarHBondContact O-N 2.88Å
438M85.8Confident80.1Confident0 Ų045.1 Ų45.10%023%0.225CC..Hα-helixtrans-60.3-52.2173.4-78.2-173.765.800111.1I434 W435 R440 R441 T442 P526 H529 L530 I544 S547 T548 M551I434-M438 WeakPolarHBondContact O-CG 3.37Å; I434-M438 PolarHBondContact O-N 3.18Å; W435-M438 PolarHBondContact O-N 3.27Å; M438-R440 VanDerWaalsContact C-N 3.29Å; M438-R440 PolarHBondContact O-N 3.28Å; M438-R441 PolarHBondContact O-N 3.45Å; M438-T442 WeakPolarHBondContact O-CG2 3.45Å; M438-T442 PolarHBondContact O-N 3.01Å; M438-T442 PolarHBondContact O-OG1 3.43Å; M438-P526 HydrophobicContact SD-CB 4.28Å; M438-H529 HydrophobicContact CE-CB 4.14Å; M438-L530 HydrophobicContact CG-CD1 4.39Å; M438-L530 HydrophobicContact SD-CD1 3.27Å; M438-L530 WeakPolarHBondContact SD-CD1 3.5Å; M438-L530 HydrophobicContact SD-CG 3.96Å; M438-I544 HydrophobicContact CG-CG2 4.2Å; M438-S547 VanDerWaalsContact CE-OG 3.26Å; M438-S547 WeakPolarHBondContact CE-OG 3.49Å; M438-T548 HydrophobicContact CB-CG2 4.09Å; M438-T548 HydrophobicContact CE-CG2 4.46Å; M438-T548 HydrophobicContact CG-CG2 3.99Å; M438-M551 HydrophobicContact CB-SD 4.41Å; M438-M551 HydrophobicContact CE-SD 3.98Å
439L87.6Confident80.7Confident0 Ų043.8 Ų43.80%022%0.219CC..Hα-helixtrans-59.6-40.4-180-176.661.1000111.7I371 L414 L416 W435 L436 T442 L443 L502 M551 L555I371-L439 HydrophobicContact CD1-CB 4.1Å; I371-L439 HydrophobicContact CD1-CD2 4.03Å; I371-L439 HydrophobicContact CD1-CG 3.91Å; L414-L439 HydrophobicContact CD2-CD1 3.93Å; L416-L439 HydrophobicContact CB-CD2 3.9Å; L416-L439 HydrophobicContact CD2-CD2 4.08Å; L416-L439 HydrophobicContact CG-CD2 4.43Å; W435-L439 WeakPolarHBondContact O-CB 3.49Å; W435-L439 PolarHBondContact O-N 3.09Å; L436-L439 PolarHBondContact O-N 3.14Å; L439-T442 WeakPolarHBondContact CA-OG1 3.23Å; L439-T442 PolarHBondContact O-N 2.84Å; L439-T442 PolarHBondContact O-OG1 3.25Å; L439-L443 HydrophobicContact CD1-CD1 3.96Å; L439-L443 HydrophobicContact CD1-CG 4.17Å; L439-L443 HydrophobicContact CG-CD1 3.8Å; L439-L443 HydrophobicContact CG-CG 4.44Å; L439-L443 WeakPolarHBondContact O-CB 3.39Å; L439-L443 WeakPolarHBondContact O-CD1 3.25Å; L439-L443 WeakPolarHBondContact O-CG 3.42Å; L439-L443 PolarHBondContact O-N 3Å; L439-L502 HydrophobicContact CD1-CD2 4.19Å; L439-L502 HydrophobicContact CD2-CD2 4.17Å; L439-M551 HydrophobicContact CB-CE 4.41Å; L439-M551 HydrophobicContact CD1-CE 3.73Å; L439-L555 HydrophobicContact CD1-CD1 4.27Å
440R86.7Confident80.9Confident41 Ų4138.4 Ų38.416%0.15519%0.19CC..Hα-helixtrans-62.2-46.1176.8-168.8-175.5-52.6137.415.4111.8E340 I371 L436 T437 M438 L443 Q444E340-R440 IonicContact OE2-CZ 2.65Å; E340-R440 IonicContact OE2-NE 3.25Å; I371-R440 HydrophobicContact CD1-CB 3.94Å; L436-R440 WeakPolarHBondContact O-CB 3.28Å; L436-R440 PolarHBondContact O-N 3.44Å; T437-R440 PolarHBondContact O-N 3.13Å; M438-R440 VanDerWaalsContact C-N 3.29Å; M438-R440 PolarHBondContact O-N 3.28Å; R440-L443 PolarHBondContact O-N 3.38Å; R440-Q444 WeakPolarHBondContact O-CB 3.37Å; R440-Q444 PolarHBondContact O-N 3.43Å
441R86.8Confident80.8Confident105 Ų10540.3 Ų40.340%0.39620%0.204SC..Hα-helixtrans-65.4-41.9178.3-73.2179.6-179.1-166.21.2111.8T437 M438 L443 Q444 L445 T548T437-R441 WeakPolarHBondContact O-CG 3.39Å; T437-R441 PolarHBondContact O-N 2.88Å; M438-R441 PolarHBondContact O-N 3.45Å; R441-L443 VanDerWaalsContact C-N 3.33Å; R441-L443 PolarHBondContact O-N 3.04Å; R441-Q444 PolarHBondContact O-N 3.33Å; R441-L445 WeakPolarHBondContact O-CB 3.17Å; R441-L445 VanDerWaalsContact O-CG 3.3Å; R441-L445 WeakPolarHBondContact O-CG 3.17Å; R441-L445 PolarHBondContact O-N 2.84Å; R441-T548 HydrophobicContact CB-CG2 3.97Å
442T86.1Confident80.8Confident2 Ų244.5 Ų44.51%0.01222%0.223CC..Hα-helixtrans-64.7-39178.256.30000112.1M438 L439 L445 S446 T548 M551 H552M438-T442 WeakPolarHBondContact O-CG2 3.45Å; M438-T442 PolarHBondContact O-N 3.01Å; M438-T442 PolarHBondContact O-OG1 3.43Å; L439-T442 WeakPolarHBondContact CA-OG1 3.23Å; L439-T442 PolarHBondContact O-N 2.84Å; L439-T442 PolarHBondContact O-OG1 3.25Å; T442-L445 PolarHBondContact O-N 3.4Å; T442-S446 WeakPolarHBondContact O-CB 3.37Å; T442-S446 PolarHBondContact O-N 2.98Å; T442-S446 PolarHBondContact O-OG 3.25Å; T442-S446 VanDerWaalsContact O-OG 3.07Å; T442-T548 HydrophobicContact CG2-CG2 4.13Å; T442-T548 VanDerWaalsContact CG2-O 3.25Å; T442-T548 WeakPolarHBondContact CG2-O 3.43Å; T442-M551 HydrophobicContact CG2-CB 3.92Å; T442-M551 HydrophobicContact CG2-CE 4.3Å; T442-M551 HydrophobicContact CG2-CG 3.9Å; T442-M551 HydrophobicContact CG2-SD 3.64Å; T442-H552 HydrophobicContact CG2-CB 4.46Å
443L82.5Confident80.5Confident27 Ų2745.7 Ų45.714%0.14123%0.229CC..Hα-helixtrans-69.3-36.5176.1-69.1167.2000112.8I371 L439 R440 R441 S446 Q447 L450 P465I371-L443 HydrophobicContact CD1-CD1 4.31Å; I371-L443 HydrophobicContact CG1-CD1 4.49Å; L439-L443 HydrophobicContact CD1-CD1 3.96Å; L439-L443 HydrophobicContact CD1-CG 4.17Å; L439-L443 HydrophobicContact CG-CD1 3.8Å; L439-L443 HydrophobicContact CG-CG 4.44Å; L439-L443 WeakPolarHBondContact O-CB 3.39Å; L439-L443 WeakPolarHBondContact O-CD1 3.25Å; L439-L443 WeakPolarHBondContact O-CG 3.42Å; L439-L443 PolarHBondContact O-N 3Å; R440-L443 PolarHBondContact O-N 3.38Å; R441-L443 VanDerWaalsContact C-N 3.33Å; R441-L443 PolarHBondContact O-N 3.04Å; L443-S446 VanDerWaalsContact CA-OG 3.29Å; L443-S446 WeakPolarHBondContact CA-OG 3.44Å; L443-S446 CarbonylContact O-C 3.45Å; L443-S446 PolarHBondContact O-N 3.24Å; L443-S446 PolarHBondContact O-OG 2.78Å; L443-Q447 PolarHBondContact O-N 2.92Å; L443-L450 HydrophobicContact CD2-CD1 4.08Å; L443-P465 HydrophobicContact CD1-CB 3.28Å; L443-P465 HydrophobicContact CD1-CG 3.73Å
444Q81.6Confident79.9Confident138 Ų13847.4 Ų47.465%0.64524%0.235SC*.Hα-helixtrans-65.7-43.1174.2-171.9177.38.300111.3R440 R441 S446 Q447R440-Q444 WeakPolarHBondContact O-CB 3.37Å; R440-Q444 PolarHBondContact O-N 3.43Å; R441-Q444 PolarHBondContact O-N 3.33Å; Q444-S446 VanDerWaalsContact C-N 3.33Å; Q444-Q447 PolarHBondContact O-N 2.62Å
445L78.1Confident79Confident96 Ų9652.9 Ų52.950%0.50326%0.26SS..Hα-helixtrans-64.6-38.7173.8-70.4170.6000111.6R441 T442 Q447R441-L445 WeakPolarHBondContact O-CB 3.17Å; R441-L445 VanDerWaalsContact O-CG 3.3Å; R441-L445 WeakPolarHBondContact O-CG 3.17Å; R441-L445 PolarHBondContact O-N 2.84Å; T442-L445 PolarHBondContact O-N 3.4Å; L445-Q447 VanDerWaalsContact C-N 3.35Å
446S78Confident77.7Confident1 Ų154.9 Ų54.91%0.00727%0.274CS..Hα-helixtrans-83-3.6-179.467.40000115T442 L443 Q444 A448 D449 L450 H552T442-S446 WeakPolarHBondContact O-CB 3.37Å; T442-S446 PolarHBondContact O-N 2.98Å; T442-S446 PolarHBondContact O-OG 3.25Å; T442-S446 VanDerWaalsContact O-OG 3.07Å; L443-S446 VanDerWaalsContact CA-OG 3.29Å; L443-S446 WeakPolarHBondContact CA-OG 3.44Å; L443-S446 CarbonylContact O-C 3.45Å; L443-S446 PolarHBondContact O-N 3.24Å; L443-S446 PolarHBondContact O-OG 2.78Å; Q444-S446 VanDerWaalsContact C-N 3.33Å; S446-A448 PolarHBondContact O-N 2.93Å; S446-A448 VanDerWaalsContact O-N 3.13Å; S446-D449 CarbonylContact O-C 3.55Å; S446-D449 PolarHBondContact O-N 2.96Å; S446-L450 WeakPolarHBondContact O-CB 3.29Å; S446-L450 PolarHBondContact O-N 2.88Å; S446-L450 WeakPolarHBondContact OG-CD1 3.45Å; S446-H552 WeakPolarHBondContact CB-ND1 3.45Å
447Q76.7Confident76.2Confident136 Ų13662.7 Ų62.764%0.63632%0.315SS*.Hα-helixtrans-54.6-39.1-175.1-171.4176.41.600112.4L443 Q444 L445 S451L443-Q447 PolarHBondContact O-N 2.92Å; Q444-Q447 PolarHBondContact O-N 2.62Å; L445-Q447 VanDerWaalsContact C-N 3.35Å; Q447-S451 WeakPolarHBondContact O-CB 3.17Å; Q447-S451 PolarHBondContact O-N 2.82Å
448A77.1Confident74.9Confident58 Ų5868.1 Ų68.148%0.47934%0.339SS..Hα-helixtrans-65.9-40.7175.600000112.5S446 S451 K452S446-A448 PolarHBondContact O-N 2.93Å; S446-A448 VanDerWaalsContact O-N 3.13Å; A448-S451 PolarHBondContact O-OG 2.59Å; A448-K452 WeakPolarHBondContact O-CG 3.47Å; A448-K452 PolarHBondContact O-N 3.48Å
449D78.8Confident73.5Confident56 Ų5671.7 Ų71.730%0.29936%0.355SS..Hα-helixtrans-78.2-37.4-179.7-68.3-29.1000112.7S446 S451 K452 L453 H552 M556S446-D449 CarbonylContact O-C 3.55Å; S446-D449 PolarHBondContact O-N 2.96Å; D449-S451 VanDerWaalsContact C-N 3.28Å; D449-S451 PolarHBondContact O-N 2.89Å; D449-K452 WeakPolarHBondContact O-CB 3.33Å; D449-K452 PolarHBondContact O-N 3.25Å; D449-K452 VanDerWaalsContact O-N 3.12Å; D449-K452 IonicContact OD1-NZ 3.63Å; D449-K452 PolarHBondContact OD1-NZ 3.12Å; D449-L453 WeakPolarHBondContact O-CG 3.41Å; D449-L453 PolarHBondContact O-N 3.47Å; D449-H552 IonicContact OD2-CE1 3.58Å; D449-H552 IonicContact OD2-NE2 3.89Å; D449-M556 HydrophobicContact CB-SD 4.01Å
450L72.6Confident72.4Confident11 Ų1173 Ų736%0.05836%0.364CS..Hα-helixtrans-57.4-42.9168.9-81.8165.3000110.9L443 S446 K452 L453 Y454 F463 M556 L559L443-L450 HydrophobicContact CD2-CD1 4.08Å; S446-L450 WeakPolarHBondContact O-CB 3.29Å; S446-L450 PolarHBondContact O-N 2.88Å; S446-L450 WeakPolarHBondContact OG-CD1 3.45Å; L450-K452 PolarHBondContact O-N 2.94Å; L450-L453 CarbonylContact O-C 3.57Å; L450-L453 WeakPolarHBondContact O-CA 3.47Å; L450-L453 WeakPolarHBondContact O-CB 3.48Å; L450-L453 PolarHBondContact O-N 2.94Å; L450-Y454 HydrophobicContact CD2-CE1 4.49Å; L450-Y454 VanDerWaalsContact O-CD1 3.29Å; L450-Y454 WeakPolarHBondContact O-CD1 3.45Å; L450-Y454 VanDerWaalsContact O-CG 3.23Å; L450-Y454 PolarHBondContact O-N 2.83Å; L450-F463 HydrophobicContact CD2-CB 4.08Å; L450-F463 HydrophobicContact CD2-CD2 4.03Å; L450-F463 HydrophobicContact CD2-CG 4.26Å; L450-M556 HydrophobicContact CG-CE 4.34Å; L450-L559 HydrophobicContact CD2-CD1 3.74Å
451S73Confident71.4Confident49 Ų4971.1 Ų71.134%0.34336%0.357SS..Hα-helixtrans-62.6-31.817777.70000113.1Q447 A448 D449 H455Q447-S451 WeakPolarHBondContact O-CB 3.17Å; Q447-S451 PolarHBondContact O-N 2.82Å; A448-S451 PolarHBondContact O-OG 2.59Å; D449-S451 VanDerWaalsContact C-N 3.28Å; D449-S451 PolarHBondContact O-N 2.89Å; S451-H455 PolarHBondContact O-CD2 3.14Å
452K76.4Confident70.7Confident142 Ų14267.7 Ų67.762%0.61735%0.345SS*.Hα-helixtrans-71.9-37.6172.5-63.2168.6-165.5157.40111.2A448 D449 L450 Y454 H455A448-K452 WeakPolarHBondContact O-CG 3.47Å; A448-K452 PolarHBondContact O-N 3.48Å; D449-K452 WeakPolarHBondContact O-CB 3.33Å; D449-K452 PolarHBondContact O-N 3.25Å; D449-K452 VanDerWaalsContact O-N 3.12Å; D449-K452 IonicContact OD1-NZ 3.63Å; D449-K452 PolarHBondContact OD1-NZ 3.12Å; L450-K452 PolarHBondContact O-N 2.94Å; K452-Y454 VanDerWaalsContact C-N 3.3Å; K452-Y454 PolarHBondContact O-N 3.08Å; K452-H455 PolarHBondContact O-N 2.95Å
453L69.6Low70.3Confident25 Ų2568.3 Ų68.313%0.13135%0.348CS..Hα-helixtrans-66.8-30.1175.9-68.7176.1000112.6D449 L450 H455 L559 K560 I563D449-L453 WeakPolarHBondContact O-CG 3.41Å; D449-L453 PolarHBondContact O-N 3.47Å; L450-L453 CarbonylContact O-C 3.57Å; L450-L453 WeakPolarHBondContact O-CA 3.47Å; L450-L453 WeakPolarHBondContact O-CB 3.48Å; L450-L453 PolarHBondContact O-N 2.94Å; L453-H455 VanDerWaalsContact C-N 3.28Å; L453-H455 PolarHBondContact O-N 3.21Å; L453-L559 HydrophobicContact CD1-CB 4.41Å; L453-K560 HydrophobicContact CD2-CG 3.9Å; L453-I563 HydrophobicContact CB-CD1 3.82Å; L453-I563 HydrophobicContact CD1-CD1 3.98Å; L453-I563 HydrophobicContact CD2-CD1 3.86Å; L453-I563 HydrophobicContact CG-CD1 4.09Å
454Y67.2Low70.2Confident49 Ų4969.4 Ų69.419%0.19235%0.353CS..Hα-helixtrans-63.7-30.9177.7-66.7-17.2000113.3L450 K452 T456 S460 Y461 H462 F463L450-Y454 HydrophobicContact CD2-CE1 4.49Å; L450-Y454 VanDerWaalsContact O-CD1 3.29Å; L450-Y454 WeakPolarHBondContact O-CD1 3.45Å; L450-Y454 VanDerWaalsContact O-CG 3.23Å; L450-Y454 PolarHBondContact O-N 2.83Å; K452-Y454 VanDerWaalsContact C-N 3.3Å; K452-Y454 PolarHBondContact O-N 3.08Å; Y454-T456 PolarHBondContact O-N 3.08Å; Y454-S460 WeakPolarHBondContact O-CA 3.27Å; Y454-Y461 WeakPolarHBondContact CD1-O 3.43Å; Y454-Y461 WeakPolarHBondContact CE1-O 3.3Å; Y454-H462 AromaticContact CD2-ND1 3.92Å; Y454-H462 HydrophobicContact CE1-CB 4.49Å; Y454-H462 AromaticContact CE2-ND1 3.91Å; Y454-F463 HydrophobicContact CE1-CB 4.31Å; Y454-F463 HydrophobicContact CE1-CD2 4.03Å; Y454-F463 VanDerWaalsContact CE1-N 3.34Å; Y454-F463 PolarHBondContact OH-N 2.96Å; Y454-F463 PolarHBondContact OH-O 2.82Å
455H61.6Low70.4Confident126 Ų12663.8 Ų63.858%0.58333%0.328SS*.THydrogen-bonded Turntrans-98.239.3-174.7-68.3-60.8000113.8S451 K452 L453S451-H455 PolarHBondContact O-CD2 3.14Å; K452-H455 PolarHBondContact O-N 2.95Å; L453-H455 VanDerWaalsContact C-N 3.28Å; L453-H455 PolarHBondContact O-N 3.21Å
456T57.2Low70.9Confident53 Ų5359.2 Ų59.233%0.32530%0.304SS..  trans-68.2136.5173.550.10000111.8Y454 Q458 H459 I563Y454-T456 PolarHBondContact O-N 3.08Å; T456-Q458 PolarHBondContact O-N 2.89Å; T456-H459 PolarHBondContact O-N 3.04Å; T456-H459 PolarHBondContact OG1-O 3.46Å; T456-H459 VanDerWaalsContact OG1-O 3.06Å; T456-I563 HydrophobicContact CG2-CG2 4.46Å
457N53.5Low71.4Confident170 Ų17059.5 Ų59.591%0.90931%0.306SS*.THydrogen-bonded Turntrans-44.3-8.7-162-68.9-12.6000120.4
458Q55.6Low71.9Confident145 Ų14553.1 Ų53.168%0.67828%0.276SS*.THydrogen-bonded Turntrans-137.3-20.9179.6-71.5-179.1-3900114.8T456T456-Q458 PolarHBondContact O-N 2.89Å
459H57.6Low72.1Confident76 Ų7650.6 Ų50.635%0.35225%0.254SS..  trans-144.9136.9-175.3-63.7-67.5000111.3T456 Y461T456-H459 PolarHBondContact O-N 3.04Å; T456-H459 PolarHBondContact OG1-O 3.46Å; T456-H459 VanDerWaalsContact OG1-O 3.06Å; H459-Y461 HydrophobicContact CB-CD2 4.34Å; H459-Y461 HydrophobicContact CB-CE2 3.72Å
460S63.3Low72.1Confident27 Ų2748.2 Ų48.219%0.18924%0.242CC..  trans-92.598.9174.8-55.30000109.9R410 Y454R410-S460 PolarHBondContact N-O 3.37Å; Y454-S460 WeakPolarHBondContact O-CA 3.27Å
461Y66.7Low72.3Confident2 Ų249 Ų491%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-89.4134.2171.7-63-76000109.8R410 L412 Y454 H459 I563 V566 D570R410-Y461 HydrophobicContact CB-CD1 4.04Å; R410-Y461 HydrophobicContact CB-CE1 4.27Å; L412-Y461 HydrophobicContact CD1-CD1 3.95Å; L412-Y461 HydrophobicContact CD1-CG 4.18Å; Y454-Y461 WeakPolarHBondContact CD1-O 3.43Å; Y454-Y461 WeakPolarHBondContact CE1-O 3.3Å; H459-Y461 HydrophobicContact CB-CD2 4.34Å; H459-Y461 HydrophobicContact CB-CE2 3.72Å; Y461-I563 HydrophobicContact CD2-CG2 4.23Å; Y461-I563 HydrophobicContact CE2-CG2 4.48Å; Y461-V566 HydrophobicContact CD1-CG1 4.08Å; Y461-V566 HydrophobicContact CE1-CB 4.34Å; Y461-V566 HydrophobicContact CE1-CG1 3.28Å; Y461-D570 PolarHBondContact OH-OD2 3.46Å; Y461-D570 VanDerWaalsContact OH-OD2 3.07Å
462H72.6Confident72.4Confident32 Ų3250.8 Ų50.815%0.14825%0.245CC..EExtended strand (participates in β ladder)trans-116128.1176-71-87.5000111H409 R410 L412 Y454H409-H462 AromaticContact CE1-NE2 3.74Å; H409-H462 AromaticContact CG-NE2 3.96Å; H409-H462 AromaticContact ND1-CD2 3.41Å; H409-H462 PolarHBondContact ND1-CD2 3.27Å; H409-H462 AromaticContact ND1-NE2 2.98Å; H409-H462 PolarHBondContact ND1-NE2 3.14Å; R410-H462 PolarHBondContact O-N 3.02Å; L412-H462 PolarHBondContact N-O 3.26Å; Y454-H462 AromaticContact CD2-ND1 3.92Å; Y454-H462 HydrophobicContact CE1-CB 4.49Å; Y454-H462 AromaticContact CE2-ND1 3.91Å
463F76.7Confident72.4Confident15 Ų1544.1 Ų44.17%0.06622%0.216CC..EExtended strand (participates in β ladder)trans-94.2111.3177.6-75.2-83.3000109.4L412 L450 Y454 L504 L559 I563L412-F463 HydrophobicContact CB-CD1 3.82Å; L412-F463 HydrophobicContact CB-CE1 3.79Å; L412-F463 HydrophobicContact CB-CG 4.48Å; L412-F463 HydrophobicContact CB-CZ 4.42Å; L412-F463 HydrophobicContact CD1-CD1 4.32Å; L412-F463 HydrophobicContact CD1-CE1 3.61Å; L412-F463 HydrophobicContact CD1-CE2 3.94Å; L412-F463 HydrophobicContact CD1-CZ 3.4Å; L412-F463 VanDerWaalsContact CD1-CZ 3.4Å; L412-F463 HydrophobicContact CG-CE1 4.31Å; L412-F463 CarbonylContact O-C 3.59Å; L412-F463 WeakPolarHBondContact O-CA 3.2Å; L450-F463 HydrophobicContact CD2-CB 4.08Å; L450-F463 HydrophobicContact CD2-CD2 4.03Å; L450-F463 HydrophobicContact CD2-CG 4.26Å; Y454-F463 HydrophobicContact CE1-CB 4.31Å; Y454-F463 HydrophobicContact CE1-CD2 4.03Å; Y454-F463 VanDerWaalsContact CE1-N 3.34Å; Y454-F463 PolarHBondContact OH-N 2.96Å; Y454-F463 PolarHBondContact OH-O 2.82Å; F463-L504 HydrophobicContact CD1-CD1 4.4Å; F463-L504 HydrophobicContact CE1-CD1 3.74Å; F463-L559 HydrophobicContact CD1-CD1 4.49Å; F463-L559 HydrophobicContact CD1-CD2 3.74Å; F463-L559 HydrophobicContact CE1-CD2 3.37Å; F463-L559 HydrophobicContact CG-CD1 4.47Å; F463-L559 HydrophobicContact CG-CD2 4.47Å; F463-L559 HydrophobicContact CZ-CD2 3.83Å; F463-I563 HydrophobicContact CE2-CD1 3.67Å; F463-I563 HydrophobicContact CE2-CG1 3.72Å; F463-I563 HydrophobicContact CZ-CD1 4.07Å; F463-I563 HydrophobicContact CZ-CG1 3.68Å
464M80Confident72.4Confident51 Ų5145.6 Ų45.625%0.25122%0.224SC..EExtended strand (participates in β ladder)trans-99.9113.5175.8-172.761.674.600109.3L383 L412 C413 L414 V466L383-M464 HydrophobicContact CD2-CG 4.23Å; L412-M464 PolarHBondContact O-N 3.46Å; C413-M464 CarbonylContact C-O 3.59Å; C413-M464 WeakPolarHBondContact CA-O 3.35Å; L414-M464 PolarHBondContact N-O 2.9Å; M464-V466 HydrophobicContact CG-CG2 4.03Å
465P87.4Confident72.6Confident19 Ų1945.5 Ų45.512%0.12323%0.23CC..EExtended strand (participates in β ladder)trans-76.4133.5177.833.7-37.1000110.6N370 I371 P372 L414 L443N370-P465 WeakPolarHBondContact O-CG 3.47Å; I371-P465 HydrophobicContact CG1-CB 4.32Å; I371-P465 HydrophobicContact CG1-CG 4.43Å; P372-P465 WeakPolarHBondContact CD-O 3.19Å; L414-P465 CarbonylContact O-C 3.51Å; L414-P465 WeakPolarHBondContact O-CA 3.37Å; L443-P465 HydrophobicContact CD1-CB 3.28Å; L443-P465 HydrophobicContact CD1-CG 3.73Å
466V88.1Confident73Confident0 Ų039.9 Ų39.90%020%0.204CC..EExtended strand (participates in β ladder)trans-144.8158.5-174-177.20000109.4P372 I374 L383 C413 L414 V415 L416 M464P372-V466 HydrophobicContact CG-CG2 4.46Å; P372-V466 WeakPolarHBondContact O-CA 3.21Å; P372-V466 WeakPolarHBondContact O-CG1 3.44Å; I374-V466 HydrophobicContact CB-CG1 4.14Å; I374-V466 HydrophobicContact CD1-CB 4.33Å; I374-V466 HydrophobicContact CD1-CG1 3.38Å; I374-V466 HydrophobicContact CG1-CG1 3.47Å; I374-V466 VanDerWaalsContact CG1-CG1 3.47Å; L383-V466 HydrophobicContact CD1-CG1 4.23Å; L383-V466 HydrophobicContact CD1-CG2 4.09Å; C413-V466 HydrophobicContact CB-CG2 4.47Å; L414-V466 PolarHBondContact O-N 3.4Å; L414-V466 VanDerWaalsContact O-O 3.12Å; V415-V466 CarbonylContact C-O 3.57Å; V415-V466 VanDerWaalsContact CA-O 3.29Å; V415-V466 WeakPolarHBondContact CA-O 3.16Å; V415-V466 HydrophobicContact CG2-CB 4.47Å; L416-V466 PolarHBondContact N-O 3.09Å; M464-V466 HydrophobicContact CG-CG2 4.03Å
467H88.2Confident73.8Confident7 Ų737.7 Ų37.73%0.03219%0.19CC..EExtended strand (participates in β ladder)trans-129.4152.4169.771.2-80.3000112.4I371 P372 R373 I374 L416 L418 L436I371-H467 HydrophobicContact CG2-CB 4.38Å; I371-H467 PolarHBondContact O-CE1 3.14Å; I371-H467 PolarHBondContact O-ND1 3.02Å; I371-H467 VanDerWaalsContact O-ND1 3.1Å; P372-H467 PolarHBondContact O-N 2.85Å; P372-H467 PolarHBondContact O-ND1 3.36Å; R373-H467 WeakPolarHBondContact CA-O 3.41Å; R373-H467 VanDerWaalsContact CB-CE1 3.46Å; R373-H467 WeakPolarHBondContact CB-CE1 3.32Å; R373-H467 WeakPolarHBondContact CB-NE2 3.28Å; I374-H467 PolarHBondContact N-O 3.35Å; I374-H467 VanDerWaalsContact N-O 3.11Å; L416-H467 HydrophobicContact CB-CB 4.06Å; L416-H467 WeakPolarHBondContact O-CA 3.3Å; L418-H467 HydrophobicContact CD1-CB 4.33Å; L436-H467 HydrophobicContact CD2-CB 4.06Å
468I85.9Confident74.6Confident2 Ų234 Ų341%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-134.8140.6179.5-68.2-179.1000109.7I374 V415 L416 L418 Q473I374-I468 HydrophobicContact CB-CD1 3.99Å; I374-I468 HydrophobicContact CB-CG1 3.82Å; I374-I468 HydrophobicContact CD1-CD1 4.09Å; I374-I468 HydrophobicContact CD1-CG1 4.47Å; I374-I468 HydrophobicContact CG2-CD1 4.06Å; I374-I468 HydrophobicContact CG2-CG1 4.31Å; V415-I468 HydrophobicContact CG1-CB 4.03Å; V415-I468 HydrophobicContact CG1-CD1 3.75Å; V415-I468 HydrophobicContact CG1-CG1 3.76Å; L416-I468 PolarHBondContact O-N 2.88Å; L418-I468 PolarHBondContact N-O 2.73Å; I468-Q473 HydrophobicContact CG2-CB 4.16Å; I468-Q473 HydrophobicContact CG2-CG 4.24Å
469Y81.8Confident75.2Confident6 Ų630.6 Ų30.62%0.02415%0.15CC..EExtended strand (participates in β ladder)trans-89.9105.2165.8-68.5-59.8000109.9R373 L418 V425 D471 R472 Q473R373-Y469 VanDerWaalsContact NE-CD2 3.32Å; L418-Y469 HydrophobicContact CB-CD1 3.61Å; L418-Y469 HydrophobicContact CB-CE1 3.67Å; L418-Y469 HydrophobicContact CD1-CE1 3.96Å; L418-Y469 HydrophobicContact CG-CE1 4.49Å; L418-Y469 CarbonylContact O-C 3.57Å; L418-Y469 WeakPolarHBondContact O-CA 3.19Å; V425-Y469 HydrophobicContact CB-CE1 4.46Å; V425-Y469 HydrophobicContact CG1-CE1 3.56Å; Y469-D471 VanDerWaalsContact C-N 3.25Å; Y469-D471 PolarHBondContact O-N 3.21Å; Y469-R472 PolarHBondContact O-N 2.85Å; Y469-R472 VanDerWaalsContact O-N 3.1Å; Y469-Q473 PolarHBondContact O-N 3.34Å
470V79.5Confident75.7Confident6 Ų627.3 Ų27.34%0.03614%0.135CC..THydrogen-bonded Turntrans-61.2-36.8-173.5-175.60000111.5L417 L418 R472 Q473 I474 M477 L494L417-V470 HydrophobicContact CB-CG2 3.94Å; L417-V470 HydrophobicContact CD2-CG2 3.9Å; L417-V470 HydrophobicContact CG-CG2 4.43Å; L418-V470 WeakPolarHBondContact O-CG2 3.43Å; L418-V470 PolarHBondContact O-N 3.15Å; V470-R472 VanDerWaalsContact C-N 3.28Å; V470-R472 PolarHBondContact O-N 3.25Å; V470-Q473 CarbonylContact O-C 3.53Å; V470-I474 WeakPolarHBondContact O-CA 3.43Å; V470-I474 WeakPolarHBondContact O-CG1 3.49Å; V470-I474 PolarHBondContact O-N 3.27Å; V470-M477 HydrophobicContact CB-CG 4.46Å; V470-M477 HydrophobicContact CG1-CB 4.01Å; V470-M477 HydrophobicContact CG1-CG 3.83Å; V470-M477 HydrophobicContact CG1-SD 4.17Å; V470-M477 HydrophobicContact CG2-SD 4.21Å; V470-L494 HydrophobicContact CG1-CD2 3.83Å
471D75.7Confident75.7Confident26 Ų2627.1 Ų27.114%0.13913%0.134CC..THydrogen-bonded Turntrans-74.4-15.9-179.668.2-52.5000114N419 S420 K421 Y469 I474N419-D471 WeakPolarHBondContact OD1-CB 3.47Å; N419-D471 PolarHBondContact OD1-OD1 3.07Å; N419-D471 PolarHBondContact OD1-OD2 3.17Å; S420-D471 WeakPolarHBondContact CB-OD2 3.47Å; S420-D471 VanDerWaalsContact N-CG 3.31Å; S420-D471 PolarHBondContact N-OD1 3.47Å; S420-D471 PolarHBondContact N-OD2 2.87Å; S420-D471 PolarHBondContact OG-OD2 3.43Å; K421-D471 PolarHBondContact N-OD2 3.21Å; Y469-D471 VanDerWaalsContact C-N 3.25Å; Y469-D471 PolarHBondContact O-N 3.21Å; D471-I474 VanDerWaalsContact C-CG1 3.48Å; D471-I474 WeakPolarHBondContact O-CD1 3.47Å; D471-I474 VanDerWaalsContact O-CG1 3.25Å; D471-I474 WeakPolarHBondContact O-CG1 3.5Å
472R75.8Confident75.7Confident87 Ų8732.3 Ų32.333%0.32817%0.166SC..THydrogen-bonded Turntrans-100.6-34.2176.6-57.4-176.1175.6176.4-4.6111.5S420 E426 Y469 V470 I474 E605S420-R472 PolarHBondContact OG-NE 2.92Å; E426-R472 IonicContact OE1-CZ 2.79Å; E426-R472 VanDerWaalsContact OE1-CZ 3.25Å; E426-R472 IonicContact OE1-NH1 2.76Å; E426-R472 PolarHBondContact OE1-NH1 3.38Å; E426-R472 IonicContact OE1-NH2 3.57Å; E426-R472 PolarHBondContact OE1-NH2 2.99Å; Y469-R472 PolarHBondContact O-N 2.85Å; Y469-R472 VanDerWaalsContact O-N 3.1Å; V470-R472 VanDerWaalsContact C-N 3.28Å; V470-R472 PolarHBondContact O-N 3.25Å; R472-I474 PolarHBondContact O-N 3.42Å; R472-E605 HydrophobicContact CB-CG 3.66Å; R472-E605 WeakPolarHBondContact CB-OE1 3.41Å; R472-E605 WeakPolarHBondContact CB-OE2 3.37Å; R472-E605 VanDerWaalsContact CD-OE2 3.23Å; R472-E605 WeakPolarHBondContact CD-OE2 3.39Å
473Q76.4Confident75Confident3 Ų333.5 Ų33.51%0.01418%0.178CC..SBendtrans-95.440.3169.4-70.8-45.9-36.500112.8Y375 I468 Y469 V470 S475 L476 M477 M602 I603 E605Y375-Q473 PolarHBondContact O-NE2 2.88Å; I468-Q473 HydrophobicContact CG2-CB 4.16Å; I468-Q473 HydrophobicContact CG2-CG 4.24Å; Y469-Q473 PolarHBondContact O-N 3.34Å; V470-Q473 CarbonylContact O-C 3.53Å; Q473-S475 PolarHBondContact O-N 3.32Å; Q473-L476 PolarHBondContact O-N 3.46Å; Q473-M477 VanDerWaalsContact O-CG 3.3Å; Q473-M477 WeakPolarHBondContact O-CG 3.23Å; Q473-M477 PolarHBondContact O-N 3.22Å; Q473-M602 HydrophobicContact CB-SD 4.46Å; Q473-M602 VanDerWaalsContact CD-CE 3.44Å; Q473-M602 VanDerWaalsContact CD-SD 3.56Å; Q473-M602 HydrophobicContact CG-CE 3.82Å; Q473-M602 HydrophobicContact CG-SD 3.75Å; Q473-M602 PolarHBondContact OE1-SD 3.22Å; Q473-M602 VanDerWaalsContact OE1-SD 3.38Å; Q473-I603 PolarHBondContact NE2-O 2.93Å; Q473-I603 PolarHBondContact OE1-O 3.31Å; Q473-E605 WeakPolarHBondContact CG-OE1 3.17Å; Q473-E605 PolarHBondContact N-OE1 3.39Å; Q473-E605 PolarHBondContact NE2-OE1 2.84Å
474I68.9Low74Confident56 Ų5633.4 Ų33.429%0.28718%0.18SC..Hα-helixtrans-57.5-38-175.3-70173.6000111.5V470 D471 R472 M477 Q478 L494V470-I474 WeakPolarHBondContact O-CA 3.43Å; V470-I474 WeakPolarHBondContact O-CG1 3.49Å; V470-I474 PolarHBondContact O-N 3.27Å; D471-I474 VanDerWaalsContact C-CG1 3.48Å; D471-I474 WeakPolarHBondContact O-CD1 3.47Å; D471-I474 VanDerWaalsContact O-CG1 3.25Å; D471-I474 WeakPolarHBondContact O-CG1 3.5Å; R472-I474 PolarHBondContact O-N 3.42Å; I474-M477 PolarHBondContact O-N 3.35Å; I474-Q478 HydrophobicContact CG2-CG 3.72Å; I474-Q478 VanDerWaalsContact CG2-NE2 3.31Å; I474-Q478 VanDerWaalsContact O-CB 3.28Å; I474-Q478 WeakPolarHBondContact O-CB 3.28Å; I474-Q478 VanDerWaalsContact O-CG 3.28Å; I474-Q478 WeakPolarHBondContact O-CG 3.35Å; I474-Q478 PolarHBondContact O-N 2.96Å; I474-L494 HydrophobicContact CB-CD2 4.5Å; I474-L494 HydrophobicContact CG1-CD2 3.99Å; I474-L494 HydrophobicContact CG2-CD1 4.46Å; I474-L494 HydrophobicContact CG2-CD2 4.16Å
475S71.2Confident72.7Confident47 Ų4736.8 Ų36.833%0.32920%0.203SC..Hα-helixtrans-62.9-48.9-176.9-1730000112.5Q473 M477 K479 L601Q473-S475 PolarHBondContact O-N 3.32Å; S475-M477 VanDerWaalsContact C-N 3.31Å; S475-M477 PolarHBondContact O-N 3.29Å; S475-K479 PolarHBondContact O-N 2.71Å; S475-K479 VanDerWaalsContact O-N 3.13Å; S475-L601 WeakPolarHBondContact OG-CD2 3.47Å
476L71.5Confident71.1Confident7 Ų737.3 Ų37.34%0.03721%0.207CC..Hα-helixtrans-60.3-43.8173.6170.8131.8000110.5Q473 K479 L480 I598 L601 M602Q473-L476 PolarHBondContact O-N 3.46Å; L476-K479 PolarHBondContact O-N 3.34Å; L476-L480 HydrophobicContact CD1-CD1 4.42Å; L476-L480 HydrophobicContact CD2-CD1 3.54Å; L476-L480 HydrophobicContact CG-CD1 3.77Å; L476-L480 WeakPolarHBondContact O-CB 2.96Å; L476-L480 WeakPolarHBondContact O-CG 3.27Å; L476-L480 PolarHBondContact O-N 3Å; L476-I598 HydrophobicContact CD1-CG2 3.71Å; L476-L601 HydrophobicContact CB-CB 4.36Å; L476-M602 HydrophobicContact CB-SD 4.06Å; L476-M602 HydrophobicContact CD1-CG 3.5Å; L476-M602 VanDerWaalsContact CD1-CG 3.5Å; L476-M602 HydrophobicContact CD1-SD 3.52Å; L476-M602 VanDerWaalsContact CD1-SD 3.52Å; L476-M602 HydrophobicContact CD2-SD 4.28Å; L476-M602 HydrophobicContact CG-SD 4.13Å
477M72.8Confident69.4Low7 Ų742.6 Ų42.63%0.03424%0.244CC..Hα-helixtrans-72.2-36.8-174.8-63.2-86.855.300113.8L417 V470 Q473 I474 S475 L480 S481 L493L417-M477 HydrophobicContact CD2-SD 4.14Å; V470-M477 HydrophobicContact CB-CG 4.46Å; V470-M477 HydrophobicContact CG1-CB 4.01Å; V470-M477 HydrophobicContact CG1-CG 3.83Å; V470-M477 HydrophobicContact CG1-SD 4.17Å; V470-M477 HydrophobicContact CG2-SD 4.21Å; Q473-M477 VanDerWaalsContact O-CG 3.3Å; Q473-M477 WeakPolarHBondContact O-CG 3.23Å; Q473-M477 PolarHBondContact O-N 3.22Å; I474-M477 PolarHBondContact O-N 3.35Å; S475-M477 VanDerWaalsContact C-N 3.31Å; S475-M477 PolarHBondContact O-N 3.29Å; M477-L480 HydrophobicContact CE-CB 4.22Å; M477-L480 HydrophobicContact CE-CD1 3.44Å; M477-L480 VanDerWaalsContact CE-CD1 3.44Å; M477-L480 HydrophobicContact CE-CG 4.46Å; M477-S481 WeakPolarHBondContact O-CB 3.26Å; M477-S481 PolarHBondContact O-N 3.37Å; M477-L493 HydrophobicContact CE-CB 4.37Å; M477-L493 HydrophobicContact CE-CD1 3.37Å; M477-L493 HydrophobicContact CE-CG 4.31Å; M477-L493 HydrophobicContact SD-CB 4.4Å; M477-L493 HydrophobicContact SD-CD1 4.41Å
478Q70.1Confident67.9Low93 Ų9347.1 Ų47.144%0.43527%0.269SS..Hα-helixtrans-63.4-46.4172.5-77.8179.1-17.800110.8I474 S481 T482 L494I474-Q478 HydrophobicContact CG2-CG 3.72Å; I474-Q478 VanDerWaalsContact CG2-NE2 3.31Å; I474-Q478 VanDerWaalsContact O-CB 3.28Å; I474-Q478 WeakPolarHBondContact O-CB 3.28Å; I474-Q478 VanDerWaalsContact O-CG 3.28Å; I474-Q478 WeakPolarHBondContact O-CG 3.35Å; I474-Q478 PolarHBondContact O-N 2.96Å; Q478-S481 CarbonylContact O-C 3.56Å; Q478-S481 WeakPolarHBondContact O-CB 3.37Å; Q478-S481 PolarHBondContact O-N 2.86Å; Q478-T482 VanDerWaalsContact O-CG2 3.32Å; Q478-T482 WeakPolarHBondContact O-CG2 3.36Å; Q478-T482 PolarHBondContact O-N 3.25Å; Q478-T482 PolarHBondContact O-OG1 3.45Å; Q478-T482 VanDerWaalsContact O-OG1 3.14Å; Q478-L494 HydrophobicContact CG-CD1 3.45Å; Q478-L494 VanDerWaalsContact CG-CD1 3.45Å; Q478-L494 HydrophobicContact CG-CG 4.41Å
479K69.5Low66.4Low73 Ų7355.4 Ų55.432%0.31731%0.307SS..Hα-helixtrans-64.1-45.4178-77.6-129.3-160.5152.80112.5S475 L476 S481 T482 S483 D595 L601S475-K479 PolarHBondContact O-N 2.71Å; S475-K479 VanDerWaalsContact O-N 3.13Å; L476-K479 PolarHBondContact O-N 3.34Å; K479-S481 PolarHBondContact O-N 3.44Å; K479-T482 WeakPolarHBondContact CA-OG1 3.38Å; K479-T482 PolarHBondContact O-N 2.97Å; K479-T482 VanDerWaalsContact O-N 3.17Å; K479-T482 PolarHBondContact O-OG1 3Å; K479-S483 PolarHBondContact O-N 2.81Å; K479-S483 PolarHBondContact O-OG 3.43Å; K479-D595 IonicContact NZ-OD2 3.99Å; K479-L601 HydrophobicContact CB-CD1 3.88Å; K479-L601 HydrophobicContact CD-CD1 3.39Å; K479-L601 HydrophobicContact CD-CD2 3.99Å; K479-L601 HydrophobicContact CD-CG 4.31Å; K479-L601 HydrophobicContact CG-CD1 3.72Å; K479-L601 HydrophobicContact CG-CD2 4.16Å
480L66.7Low65.2Low7 Ų757.8 Ų57.84%0.03732%0.324CS..Hα-helixtrans-53.9-44.6174.2-79162000110.1L476 M477 S484 L493 Y515 L593L476-L480 HydrophobicContact CD1-CD1 4.42Å; L476-L480 HydrophobicContact CD2-CD1 3.54Å; L476-L480 HydrophobicContact CG-CD1 3.77Å; L476-L480 WeakPolarHBondContact O-CB 2.96Å; L476-L480 WeakPolarHBondContact O-CG 3.27Å; L476-L480 PolarHBondContact O-N 3Å; M477-L480 HydrophobicContact CE-CB 4.22Å; M477-L480 HydrophobicContact CE-CD1 3.44Å; M477-L480 VanDerWaalsContact CE-CD1 3.44Å; M477-L480 HydrophobicContact CE-CG 4.46Å; L480-S484 WeakPolarHBondContact O-CB 3.43Å; L480-L493 HydrophobicContact CB-CD1 4.19Å; L480-Y515 HydrophobicContact CB-CD1 4.29Å; L480-Y515 HydrophobicContact CB-CE1 4.01Å; L480-Y515 HydrophobicContact CD2-CD1 3.45Å; L480-Y515 VanDerWaalsContact CD2-CD1 3.45Å; L480-Y515 HydrophobicContact CD2-CE1 3.9Å; L480-Y515 HydrophobicContact CD2-CG 4.16Å; L480-Y515 HydrophobicContact CG-CD1 4.45Å; L480-Y515 WeakPolarHBondContact O-CE1 3.38Å; L480-Y515 VanDerWaalsContact O-CZ 3.31Å; L480-Y515 PolarHBondContact O-OH 2.84Å; L480-L593 HydrophobicContact CD2-CB 4.41Å; L480-L593 HydrophobicContact CD2-CD2 3.54Å; L480-L593 HydrophobicContact CD2-CG 4.5Å; L480-L593 HydrophobicContact CG-CD2 4.19Å
481S65.2Low64.2Low23 Ų2357.9 Ų57.916%0.16133%0.325CS..Hα-helixtrans-64.8-46.3175.1-170.90000114.1M477 Q478 K479 S484 C491M477-S481 WeakPolarHBondContact O-CB 3.26Å; M477-S481 PolarHBondContact O-N 3.37Å; Q478-S481 CarbonylContact O-C 3.56Å; Q478-S481 WeakPolarHBondContact O-CB 3.37Å; Q478-S481 PolarHBondContact O-N 2.86Å; K479-S481 PolarHBondContact O-N 3.44Å; S481-S484 PolarHBondContact O-OG 2.92Å; S481-C491 PolarHBondContact OG-O 3.32Å
482T64.7Low63.7Low111 Ų11159.8 Ų59.868%0.68134%0.336SS*.Hα-helixtrans-80-33.6-170.3560000114.2Q478 K479 S484Q478-T482 VanDerWaalsContact O-CG2 3.32Å; Q478-T482 WeakPolarHBondContact O-CG2 3.36Å; Q478-T482 PolarHBondContact O-N 3.25Å; Q478-T482 PolarHBondContact O-OG1 3.45Å; Q478-T482 VanDerWaalsContact O-OG1 3.14Å; K479-T482 WeakPolarHBondContact CA-OG1 3.38Å; K479-T482 PolarHBondContact O-N 2.97Å; K479-T482 VanDerWaalsContact O-N 3.17Å; K479-T482 PolarHBondContact O-OG1 3Å; T482-S484 VanDerWaalsContact C-N 3.31Å
483S58.8Low63.3Low57 Ų5755.9 Ų55.940%0.39932%0.321SS..SBendtrans-88.3-0.8179.5170000113.5K479 L593K479-S483 PolarHBondContact O-N 2.81Å; K479-S483 PolarHBondContact O-OG 3.43Å; S483-L593 VanDerWaalsContact CB-CD1 3.4Å; S483-L593 WeakPolarHBondContact OG-CD1 3.31Å
484S55.8Low62.8Low14 Ų1458.6 Ų58.610%0.09834%0.336CS..SBendtrans-73.1151.7170.7720000111.7L480 S481 T482 C486 Y515L480-S484 WeakPolarHBondContact O-CB 3.43Å; S481-S484 PolarHBondContact O-OG 2.92Å; T482-S484 VanDerWaalsContact C-N 3.31Å; S484-C486 PolarHBondContact O-N 3.36Å; S484-C486 VanDerWaalsContact OG-CB 3.29Å; S484-C486 WeakPolarHBondContact OG-CB 3.5Å; S484-C486 PolarHBondContact OG-N 3.46Å; S484-Y515 WeakPolarHBondContact CB-OH 3.49Å; S484-Y515 PolarHBondContact OG-OH 3.41Å
485T52.1Low63.1Low121 Ų12158.7 Ų58.774%0.74234%0.337SS*.SBendtrans-69.814.8168.248.10000113.1
486C53.5Low63Low30 Ų3063 Ų6320%0.20335%0.352CS..  trans-81.1120.5-175.3-168.50000112.7S484 N488 C491 Y591S484-C486 PolarHBondContact O-N 3.36Å; S484-C486 VanDerWaalsContact OG-CB 3.29Å; S484-C486 WeakPolarHBondContact OG-CB 3.5Å; S484-C486 PolarHBondContact OG-N 3.46Å; C486-N488 PolarHBondContact SG-N 3.44Å; C486-C491 HydrophobicContact CB-CB 3.55Å; C486-C491 WeakPolarHBondContact CB-SG 3.34Å; C486-C491 WeakPolarHBondContact SG-CB 3.45Å; C486-C491 CovalentContact SG-SG 2.01Å; C486-C491 PolarHBondContact SG-SG 3.48Å; C486-Y591 HydrophobicContact CB-CD1 3.79Å; C486-Y591 HydrophobicContact CB-CE1 3.4Å; C486-Y591 VanDerWaalsContact CB-CE1 3.4Å
487S53.5Low62.9Low112 Ų11266.7 Ų66.778%0.78337%0.371SS*.  trans-84.6-15.6174.159.30000114.6
488N56.5Low63Low102 Ų10266.4 Ų66.455%0.54537%0.37SS..SBendtrans-97140.1-168.5-70.6-4.1000112.8C486 S490 C491C486-N488 PolarHBondContact SG-N 3.44Å; N488-S490 WeakPolarHBondContact CB-OG 3.28Å; N488-S490 PolarHBondContact O-N 2.96Å; N488-C491 WeakPolarHBondContact O-CB 3.19Å; N488-C491 PolarHBondContact O-N 3.44Å
489E54.3Low63.3Low176 Ų17662.2 Ų62.282%0.82235%0.351SS*.G310 helixtrans-55.3-25.2173.1-69.9-173.9163.300113.3C491 N492E489-C491 PolarHBondContact O-N 3Å; E489-C491 VanDerWaalsContact O-N 3.15Å; E489-N492 WeakPolarHBondContact O-CB 3.28Å; E489-N492 PolarHBondContact O-N 3.32Å
490S56.2Low63.7Low55 Ų5558.8 Ų58.839%0.38534%0.335SS..G310 helixtrans-58.9-24.6176.5580000113.7N488 N492 N498N488-S490 WeakPolarHBondContact CB-OG 3.28Å; N488-S490 PolarHBondContact O-N 2.96Å; S490-N492 VanDerWaalsContact C-N 3.3Å; S490-N498 PolarHBondContact O-ND2 3.08Å
491C57.9Low64.6Low8 Ų860.4 Ų60.45%0.05434%0.341CS..G310 helixtrans-79.5-10.9178-70.20000114.1S481 C486 N488 E489 L493 Y591S481-C491 PolarHBondContact OG-O 3.32Å; C486-C491 HydrophobicContact CB-CB 3.55Å; C486-C491 WeakPolarHBondContact CB-SG 3.34Å; C486-C491 WeakPolarHBondContact SG-CB 3.45Å; C486-C491 CovalentContact SG-SG 2.01Å; C486-C491 PolarHBondContact SG-SG 3.48Å; N488-C491 WeakPolarHBondContact O-CB 3.19Å; N488-C491 PolarHBondContact O-N 3.44Å; E489-C491 PolarHBondContact O-N 3Å; E489-C491 VanDerWaalsContact O-N 3.15Å; C491-L493 PolarHBondContact O-N 2.63Å; C491-Y591 PolarHBondContact SG-OH 2.68Å
492N65.7Low65.5Low67 Ų6759.3 Ų59.336%0.35833%0.334SS..  trans-68.398.7176.9-172.41.2000109.3E489 S490 L494 N495 N498E489-N492 WeakPolarHBondContact O-CB 3.28Å; E489-N492 PolarHBondContact O-N 3.32Å; S490-N492 VanDerWaalsContact C-N 3.3Å; N492-L494 PolarHBondContact O-N 2.76Å; N492-L494 VanDerWaalsContact O-N 3.07Å; N492-L494 WeakPolarHBondContact OD1-CB 3.33Å; N492-L494 PolarHBondContact OD1-N 2.76Å; N492-N495 HydrophobicContact CB-CB 4.47Å; N492-N495 VanDerWaalsContact O-CB 3.22Å; N492-N495 WeakPolarHBondContact O-CB 3.31Å; N492-N495 PolarHBondContact O-N 3.38Å; N492-N498 PolarHBondContact O-ND2 3.39Å
493L67Low66.4Low5 Ų554.3 Ų54.33%0.02630%0.303CS..THydrogen-bonded Turntrans-60.3-20.3-178.7-70.6156.8000112.2L417 M477 L480 C491 N495 Y515 L517L417-L493 HydrophobicContact CD1-CD2 3.57Å; M477-L493 HydrophobicContact CE-CB 4.37Å; M477-L493 HydrophobicContact CE-CD1 3.37Å; M477-L493 HydrophobicContact CE-CG 4.31Å; M477-L493 HydrophobicContact SD-CB 4.4Å; M477-L493 HydrophobicContact SD-CD1 4.41Å; L480-L493 HydrophobicContact CB-CD1 4.19Å; C491-L493 PolarHBondContact O-N 2.63Å; L493-N495 VanDerWaalsContact C-N 3.31Å; L493-Y515 HydrophobicContact CD1-CE2 4.19Å; L493-L517 HydrophobicContact CD2-CD1 4.43Å
494L66.4Low67.7Low60 Ų6051.6 Ų51.631%0.31428%0.284SS..THydrogen-bonded Turntrans-78.1-12.2174.4-63.4168.3000114V470 I474 Q478 N492 E496V470-L494 HydrophobicContact CG1-CD2 3.83Å; I474-L494 HydrophobicContact CB-CD2 4.5Å; I474-L494 HydrophobicContact CG1-CD2 3.99Å; I474-L494 HydrophobicContact CG2-CD1 4.46Å; I474-L494 HydrophobicContact CG2-CD2 4.16Å; Q478-L494 HydrophobicContact CG-CD1 3.45Å; Q478-L494 VanDerWaalsContact CG-CD1 3.45Å; Q478-L494 HydrophobicContact CG-CG 4.41Å; N492-L494 PolarHBondContact O-N 2.76Å; N492-L494 VanDerWaalsContact O-N 3.07Å; N492-L494 WeakPolarHBondContact OD1-CB 3.33Å; N492-L494 PolarHBondContact OD1-N 2.76Å; L494-E496 PolarHBondContact O-N 2.94Å
495N74.9Confident68.9Low58 Ų5851.9 Ų51.931%0.3129%0.285SS..SBendtrans-62.8134.3178.4-170.22.8000109.8N492 L493 D497 N498N492-N495 HydrophobicContact CB-CB 4.47Å; N492-N495 VanDerWaalsContact O-CB 3.22Å; N492-N495 WeakPolarHBondContact O-CB 3.31Å; N492-N495 PolarHBondContact O-N 3.38Å; L493-N495 VanDerWaalsContact C-N 3.31Å; N495-D497 PolarHBondContact O-N 2.93Å; N495-D497 VanDerWaalsContact O-N 3.09Å; N495-N498 WeakPolarHBondContact O-CB 3.17Å; N495-N498 PolarHBondContact O-N 3.09Å
496E69.2Low70.2Confident137 Ų13746.4 Ų46.464%0.6425%0.25SS*.G310 helixtrans-59.1-26.4-178.5-66.7-170.8166.400112.3L494 N498 I499 R527L494-E496 PolarHBondContact O-N 2.94Å; E496-N498 PolarHBondContact O-N 2.66Å; E496-I499 HydrophobicContact CB-CD1 4.21Å; E496-I499 HydrophobicContact CG-CD1 4.37Å; E496-I499 WeakPolarHBondContact O-CB 3.44Å; E496-I499 WeakPolarHBondContact O-CG1 3.2Å; E496-I499 PolarHBondContact O-N 2.74Å; E496-R527 PolarHBondContact O-NH1 3.45Å
497D71Confident71.3Confident85 Ų8545.4 Ų45.446%0.45524%0.242SC..G310 helixtrans-66.6-23.4175.1-69.9-25.4000114N495 R501 R527N495-D497 PolarHBondContact O-N 2.93Å; N495-D497 VanDerWaalsContact O-N 3.09Å; D497-R501 VanDerWaalsContact O-CZ 3.27Å; D497-R501 PolarHBondContact O-NE 3.29Å; D497-R501 PolarHBondContact O-NH2 3.22Å; D497-R527 IonicContact OD1-NH2 3.17Å
498N73.5Confident72.1Confident1 Ų141.2 Ų41.21%0.00521%0.211CC..G310 helixtrans-84.4-10.6178.6-75.5-30.1000113.2S490 N492 N495 E496 G500 R501S490-N498 PolarHBondContact O-ND2 3.08Å; N492-N498 PolarHBondContact O-ND2 3.39Å; N495-N498 WeakPolarHBondContact O-CB 3.17Å; N495-N498 PolarHBondContact O-N 3.09Å; E496-N498 PolarHBondContact O-N 2.66Å; N498-G500 PolarHBondContact O-N 3.18Å; N498-R501 VanDerWaalsContact O-CB 3.28Å; N498-R501 WeakPolarHBondContact O-CB 3.29Å; N498-R501 WeakPolarHBondContact O-CG 3.21Å; N498-R501 PolarHBondContact O-N 3.25Å; N498-R501 WeakPolarHBondContact OD1-CD 3.49Å; N498-R501 VanDerWaalsContact OD1-CZ 3.23Å; N498-R501 PolarHBondContact OD1-NE 2.93Å; N498-R501 PolarHBondContact OD1-NH1 3.07Å
499I77Confident72.6Confident5 Ų537.8 Ų37.83%0.02620%0.195CC..THydrogen-bonded Turntrans-69131.1176-56.5165.6000109.6N419 W435 E496 R527N419-I499 HydrophobicContact CB-CD1 3.55Å; N419-I499 HydrophobicContact CB-CG1 3.93Å; N419-I499 HydrophobicContact CB-CG2 4.04Å; N419-I499 WeakPolarHBondContact ND2-CD1 3.21Å; W435-I499 HydrophobicContact CH2-CG2 4.13Å; W435-I499 HydrophobicContact CZ3-CG2 3.82Å; E496-I499 HydrophobicContact CB-CD1 4.21Å; E496-I499 HydrophobicContact CG-CD1 4.37Å; E496-I499 WeakPolarHBondContact O-CB 3.44Å; E496-I499 WeakPolarHBondContact O-CG1 3.2Å; E496-I499 PolarHBondContact O-N 2.74Å; I499-R527 WeakPolarHBondContact O-CD 3.23Å; I499-R527 PolarHBondContact O-NH1 2.7Å
500G77.7Confident73.2Confident0 Ų032.6 Ų32.60%018%0.178CC..THydrogen-bonded Turntrans83.710.1-174.900000113.7L417 N498 P526L417-G500 WeakPolarHBondContact O-CA 3.46Å; L417-G500 PolarHBondContact O-N 3.27Å; N498-G500 PolarHBondContact O-N 3.18Å; G500-P526 WeakPolarHBondContact O-CD 3.43Å
501R84.9Confident73.7Confident42 Ų4233.2 Ų33.216%0.15818%0.18CC..  trans-93.5156173.8-62.5-169.9-170.9-178.9-8.3112.3L417 D497 N498 L517 T520 H525L417-R501 PolarHBondContact N-O 3.12Å; D497-R501 VanDerWaalsContact O-CZ 3.27Å; D497-R501 PolarHBondContact O-NE 3.29Å; D497-R501 PolarHBondContact O-NH2 3.22Å; N498-R501 VanDerWaalsContact O-CB 3.28Å; N498-R501 WeakPolarHBondContact O-CB 3.29Å; N498-R501 WeakPolarHBondContact O-CG 3.21Å; N498-R501 PolarHBondContact O-N 3.25Å; N498-R501 WeakPolarHBondContact OD1-CD 3.49Å; N498-R501 VanDerWaalsContact OD1-CZ 3.23Å; N498-R501 PolarHBondContact OD1-NE 2.93Å; N498-R501 PolarHBondContact OD1-NH1 3.07Å; R501-L517 HydrophobicContact CB-CD1 4.27Å; R501-T520 VanDerWaalsContact NH1-CG2 3.34Å; R501-H525 VanDerWaalsContact CA-ND1 3.28Å; R501-H525 WeakPolarHBondContact CA-ND1 3.24Å; R501-H525 WeakPolarHBondContact CB-ND1 3.46Å
502L85.4Confident74.4Confident0 Ų034.5 Ų34.50%019%0.185CC..EExtended strand (participates in β ladder)trans-91.4133.1170.4-63.9174.2000109.9L414 V415 L416 L439 F518 S524 H525 M551 L555L414-L502 HydrophobicContact CD2-CD1 4.28Å; L414-L502 HydrophobicContact CD2-CD2 3.91Å; L414-L502 HydrophobicContact CG-CD2 4.27Å; V415-L502 WeakPolarHBondContact O-CA 3.34Å; L416-L502 HydrophobicContact CB-CD2 4.21Å; L416-L502 HydrophobicContact CD1-CD2 3.96Å; L439-L502 HydrophobicContact CD1-CD2 4.19Å; L439-L502 HydrophobicContact CD2-CD2 4.17Å; L502-F518 HydrophobicContact CB-CD2 3.92Å; L502-F518 HydrophobicContact CB-CE2 4.29Å; L502-F518 WeakPolarHBondContact O-CD2 3.17Å; L502-F518 PolarHBondContact O-N 3.36Å; L502-S524 WeakPolarHBondContact CD1-O 3.46Å; L502-H525 PolarHBondContact N-ND1 2.94Å; L502-M551 HydrophobicContact CD1-CE 4.29Å; L502-L555 HydrophobicContact CD1-CD1 3.61Å; L502-L555 HydrophobicContact CD1-CG 4.46Å
503A83.7Confident74.9Confident5 Ų531.6 Ų31.64%0.04117%0.169CC..EExtended strand (participates in β ladder)trans-119.4156.6167.200000108.8L414 V415 L417 Q516 L517L414-A503 CarbonylContact C-O 3.44Å; V415-A503 PolarHBondContact N-O 2.78Å; V415-A503 PolarHBondContact O-N 3.21Å; L417-A503 HydrophobicContact CD1-CB 4.34Å; L417-A503 HydrophobicContact CG-CB 4.46Å; A503-Q516 CarbonylContact C-O 3.59Å; A503-Q516 WeakPolarHBondContact CA-O 3.07Å; A503-L517 HydrophobicContact CB-CD1 4.18Å
504L84.8Confident75.3Confident0 Ų031.4 Ų31.40%017%0.168CC..EExtended strand (participates in β ladder)trans-115.7131.2173.7-174.3135.4000108.9L412 C413 F463 W506 Y515 Q516 F518 V562 W590L412-L504 HydrophobicContact CB-CD1 4.39Å; L412-L504 HydrophobicContact CD2-CD2 3.99Å; C413-L504 CarbonylContact O-C 3.56Å; C413-L504 WeakPolarHBondContact O-CA 3.49Å; F463-L504 HydrophobicContact CD1-CD1 4.4Å; F463-L504 HydrophobicContact CE1-CD1 3.74Å; L504-W506 HydrophobicContact CD2-CB 4.2Å; L504-Y515 CarbonylContact O-C 3.51Å; L504-Y515 WeakPolarHBondContact O-CA 3.2Å; L504-Q516 PolarHBondContact N-O 3.05Å; L504-Q516 PolarHBondContact O-N 3.5Å; L504-F518 HydrophobicContact CB-CE2 3.96Å; L504-F518 HydrophobicContact CD1-CZ 4.43Å; L504-V562 HydrophobicContact CD1-CG1 3.73Å; L504-V562 HydrophobicContact CD2-CG1 4.41Å; L504-W590 HydrophobicContact CD2-CH2 3.59Å; L504-W590 HydrophobicContact CD2-CZ3 3.39Å
505I82.5Confident75.9Confident21 Ų2128.9 Ų28.911%0.10816%0.155CC..EExtended strand (participates in β ladder)trans-114.9127.8173.7-59.6-176.9000107.8C413 V415C413-I505 HydrophobicContact CB-CB 4.22Å; C413-I505 PolarHBondContact N-O 2.79Å; C413-I505 PolarHBondContact O-N 3.27Å; V415-I505 HydrophobicContact CG2-CB 4.42Å; V415-I505 HydrophobicContact CG2-CD1 3.69Å; V415-I505 HydrophobicContact CG2-CG1 3.85Å
506W78.5Confident76Confident5 Ų527 Ų272%0.01914%0.144CC..EExtended strand (participates in β ladder)trans-129.7122.3176.9-179.729.8000110L412 L504 I508 T513 V514 V566 W590L412-W506 HydrophobicContact CD2-CB 3.7Å; L412-W506 HydrophobicContact CD2-CD2 4.17Å; L412-W506 HydrophobicContact CD2-CG 3.56Å; L504-W506 HydrophobicContact CD2-CB 4.2Å; W506-I508 HydrophobicContact CD2-CG1 3.85Å; W506-I508 HydrophobicContact CE3-CD1 4.06Å; W506-I508 HydrophobicContact CE3-CG1 3.88Å; W506-I508 HydrophobicContact CH2-CD1 3.97Å; W506-I508 HydrophobicContact CH2-CG1 3.87Å; W506-I508 HydrophobicContact CZ2-CD1 4.45Å; W506-I508 HydrophobicContact CZ2-CG1 3.85Å; W506-I508 HydrophobicContact CZ3-CD1 3.76Å; W506-I508 HydrophobicContact CZ3-CG1 3.89Å; W506-T513 CarbonylContact O-C 3.54Å; W506-T513 WeakPolarHBondContact O-CA 3.37Å; W506-V514 PolarHBondContact N-O 3.43Å; W506-V514 PolarHBondContact O-N 3.36Å; W506-V566 HydrophobicContact CD2-CG1 4.43Å; W506-V566 HydrophobicContact CE3-CG1 4.27Å; W506-V566 HydrophobicContact CE3-CG2 4.26Å; W506-V566 HydrophobicContact CH2-CG1 3.65Å; W506-V566 HydrophobicContact CZ2-CG1 3.8Å; W506-V566 HydrophobicContact CZ3-CG1 3.89Å; W506-V566 HydrophobicContact CZ3-CG2 4.3Å; W506-W590 HydrophobicContact CB-CZ3 4.36Å; W506-W590 HydrophobicContact CE3-CH2 4.43Å; W506-W590 HydrophobicContact CE3-CZ3 4.07Å
507R77.7Confident76.4Confident9 Ų921.9 Ų21.93%0.03412%0.121CC..EExtended strand (participates in β ladder)trans-93.2115.2172.1-59.7-172.573.91781.2109.1C384 T513 E599C384-R507 WeakPolarHBondContact O-CD 3.37Å; R507-T513 HydrophobicContact CB-CG2 4.27Å; R507-T513 HydrophobicContact CG-CG2 3.69Å; R507-E599 IonicContact CZ-OE1 3.96Å; R507-E599 IonicContact NH1-OE1 2.91Å; R507-E599 PolarHBondContact NH1-OE1 3.32Å; R507-E599 IonicContact NH2-OE1 2.86Å; R507-E599 PolarHBondContact NH2-OE1 2.8Å
508I69.4Low76.8Confident24 Ų2418.1 Ų18.112%0.12310%0.101CC..SBendtrans-83.1-38.6177.8-60.8179.5000109.6R410 W506 E512 V514R410-I508 PolarHBondContact NH1-O 3.42Å; W506-I508 HydrophobicContact CD2-CG1 3.85Å; W506-I508 HydrophobicContact CE3-CD1 4.06Å; W506-I508 HydrophobicContact CE3-CG1 3.88Å; W506-I508 HydrophobicContact CH2-CD1 3.97Å; W506-I508 HydrophobicContact CH2-CG1 3.87Å; W506-I508 HydrophobicContact CZ2-CD1 4.45Å; W506-I508 HydrophobicContact CZ2-CG1 3.85Å; W506-I508 HydrophobicContact CZ3-CD1 3.76Å; W506-I508 HydrophobicContact CZ3-CG1 3.89Å; I508-E512 PolarHBondContact N-O 2.83Å; I508-V514 HydrophobicContact CD1-CG2 3.3Å; I508-V514 HydrophobicContact CG1-CG2 3.89Å
509S67.7Low76.8Confident31 Ų3121.3 Ų21.322%0.21712%0.122CC..SBendtrans-148.1-177.9177.8760000110.7T511 E512S509-T511 PolarHBondContact O-N 3.43Å; S509-T511 PolarHBondContact OG-N 3.44Å; S509-T511 PolarHBondContact OG-OG1 3.47Å; S509-E512 PolarHBondContact N-O 2.86Å; S509-E512 WeakPolarHBondContact OG-CB 3.21Å; S509-E512 PolarHBondContact OG-N 2.79Å
510S66.9Low76.4Confident67 Ų6724.6 Ų24.647%0.46914%0.142SC..SBendtrans-65.9-22.6173.756.60000113.9T386T386-S510 VanDerWaalsContact CG2-CA 3.48Å
511T66.7Low76Confident68 Ų6831.9 Ų31.942%0.41718%0.181SC..SBendtrans-108.8-16.7-177.457.50000113.4S509 K594 D595 C596S509-T511 PolarHBondContact O-N 3.43Å; S509-T511 PolarHBondContact OG-N 3.44Å; S509-T511 PolarHBondContact OG-OG1 3.47Å; T511-K594 CarbonylContact O-C 3.55Å; T511-D595 CarbonylContact O-C 3.6Å; T511-D595 PolarHBondContact O-N 3.37Å; T511-C596 HydrophobicContact CG2-CB 4.24Å
512E72.1Confident75.6Confident35 Ų3530.5 Ų30.516%0.16418%0.178CC..EExtended strand (participates in β ladder)trans-121.8120.8-174.9-60.7-170.5152.200111.2I508 S509 L592 K594I508-E512 PolarHBondContact N-O 2.83Å; S509-E512 PolarHBondContact N-O 2.86Å; S509-E512 WeakPolarHBondContact OG-CB 3.21Å; S509-E512 PolarHBondContact OG-N 2.79Å; E512-L592 HydrophobicContact CB-CD1 4.4Å; E512-K594 HydrophobicContact CG-CG 4.31Å
513T75.9Confident75.3Confident5 Ų534.4 Ų34.43%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-126.9143.3172.871.10000109.2W506 R507 L593 I598W506-T513 CarbonylContact O-C 3.54Å; W506-T513 WeakPolarHBondContact O-CA 3.37Å; R507-T513 HydrophobicContact CB-CG2 4.27Å; R507-T513 HydrophobicContact CG-CG2 3.69Å; T513-L593 PolarHBondContact N-O 3.14Å; T513-L593 WeakPolarHBondContact O-CA 3.45Å; T513-L593 WeakPolarHBondContact O-CB 3.4Å; T513-L593 PolarHBondContact O-N 2.86Å; T513-I598 HydrophobicContact CG2-CD1 3.18Å; T513-I598 WeakPolarHBondContact OG1-CD1 3.34Å
514V75.3Confident75.2Confident1 Ų134.2 Ų34.21%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-120.2136.5-179.8-162.80000107.4W506 I508 W590 Y591 L592W506-V514 PolarHBondContact N-O 3.43Å; W506-V514 PolarHBondContact O-N 3.36Å; I508-V514 HydrophobicContact CD1-CG2 3.3Å; I508-V514 HydrophobicContact CG1-CG2 3.89Å; V514-W590 HydrophobicContact CB-CE3 4.11Å; V514-W590 HydrophobicContact CG1-CB 3.54Å; V514-W590 HydrophobicContact CG1-CD2 4.07Å; V514-W590 HydrophobicContact CG1-CE3 3.46Å; V514-W590 VanDerWaalsContact CG1-CE3 3.46Å; V514-W590 HydrophobicContact CG1-CG 4.18Å; V514-W590 HydrophobicContact CG1-CZ3 4.41Å; V514-Y591 WeakPolarHBondContact CA-O 3.07Å; V514-Y591 WeakPolarHBondContact CG1-O 3.22Å; V514-L592 HydrophobicContact CG2-CD1 3.71Å
515Y79.2Confident75.1Confident7 Ų734.3 Ų34.33%0.02720%0.196CC..EExtended strand (participates in β ladder)trans-125.3147.8171.277.3-86.3000111.1L480 S484 L493 L504 Y591L480-Y515 HydrophobicContact CB-CD1 4.29Å; L480-Y515 HydrophobicContact CB-CE1 4.01Å; L480-Y515 HydrophobicContact CD2-CD1 3.45Å; L480-Y515 VanDerWaalsContact CD2-CD1 3.45Å; L480-Y515 HydrophobicContact CD2-CE1 3.9Å; L480-Y515 HydrophobicContact CD2-CG 4.16Å; L480-Y515 HydrophobicContact CG-CD1 4.45Å; L480-Y515 WeakPolarHBondContact O-CE1 3.38Å; L480-Y515 VanDerWaalsContact O-CZ 3.31Å; L480-Y515 PolarHBondContact O-OH 2.84Å; S484-Y515 WeakPolarHBondContact CB-OH 3.49Å; S484-Y515 PolarHBondContact OG-OH 3.41Å; L493-Y515 HydrophobicContact CD1-CE2 4.19Å; L504-Y515 CarbonylContact O-C 3.51Å; L504-Y515 WeakPolarHBondContact O-CA 3.2Å; Y515-Y591 HydrophobicContact CD2-CD2 4.07Å; Y515-Y591 HydrophobicContact CE1-CG 4.31Å; Y515-Y591 AromaticContact CE2-CD2 3.55Å; Y515-Y591 HydrophobicContact CE2-CD2 3.55Å; Y515-Y591 HydrophobicContact CE2-CE2 4.48Å; Y515-Y591 AromaticContact CE2-CG 3.99Å; Y515-Y591 HydrophobicContact CE2-CG 3.99Å; Y515-Y591 AromaticContact CZ-CD2 3.87Å; Y515-Y591 AromaticContact CZ-CG 3.81Å; Y515-Y591 PolarHBondContact N-O 3.29Å; Y515-Y591 WeakPolarHBondContact O-CB 3.38Å; Y515-Y591 PolarHBondContact O-N 2.74Å
516Q77.4Confident75Confident18 Ų1833.3 Ų33.38%0.08419%0.191CC..EExtended strand (participates in β ladder)trans-135127.3176.4-173.8-1794.400109A503 L504 W590A503-Q516 CarbonylContact C-O 3.59Å; A503-Q516 WeakPolarHBondContact CA-O 3.07Å; L504-Q516 PolarHBondContact N-O 3.05Å; L504-Q516 PolarHBondContact O-N 3.5Å; Q516-W590 HydrophobicContact CB-CD2 4.08Å; Q516-W590 HydrophobicContact CB-CE3 3.9Å; Q516-W590 HydrophobicContact CB-CZ3 4.33Å; Q516-W590 VanDerWaalsContact OE1-CZ2 3.22Å
517L77.8Confident75Confident30 Ų3036.6 Ų36.616%0.15720%0.203CC..EExtended strand (participates in β ladder)trans-85.4130.5168-17070.2000108.3L417 L493 R501 A503L417-L517 HydrophobicContact CD1-CD1 4.18Å; L493-L517 HydrophobicContact CD2-CD1 4.43Å; R501-L517 HydrophobicContact CB-CD1 4.27Å; A503-L517 HydrophobicContact CB-CD1 4.18Å
518F79.2Confident75.1Confident6 Ų638.8 Ų38.83%0.02622%0.217CC..PPolyproline II helixtrans-64144.5175.9-75.3-102.8000110.1L414 L502 L504 H525 D558 L559 V562L414-F518 HydrophobicContact CD1-CE2 3.94Å; L414-F518 HydrophobicContact CD1-CZ 3.89Å; L502-F518 HydrophobicContact CB-CD2 3.92Å; L502-F518 HydrophobicContact CB-CE2 4.29Å; L502-F518 WeakPolarHBondContact O-CD2 3.17Å; L502-F518 PolarHBondContact O-N 3.36Å; L504-F518 HydrophobicContact CB-CE2 3.96Å; L504-F518 HydrophobicContact CD1-CZ 4.43Å; F518-H525 PolarHBondContact O-NE2 3.34Å; F518-D558 HydrophobicContact CD1-CB 3.43Å; F518-D558 VanDerWaalsContact CD1-CB 3.43Å; F518-D558 HydrophobicContact CE1-CB 3.38Å; F518-L559 HydrophobicContact CE1-CD2 4.47Å; F518-L559 HydrophobicContact CZ-CD2 4.06Å; F518-V562 HydrophobicContact CE1-CG2 4.12Å; F518-V562 HydrophobicContact CZ-CG2 4.23Å
519P72.3Confident75.4Confident69 Ų6938.5 Ų38.545%0.44822%0.215SC..PPolyproline II helixtrans-57.5144.2-173.120.3-30.5000112.1N521 S522 H525P519-N521 PolarHBondContact O-N 3.34Å; P519-S522 WeakPolarHBondContact O-CB 3.28Å; P519-S522 PolarHBondContact O-N 3.32Å; P519-S522 VanDerWaalsContact O-N 3.09Å; P519-H525 PolarHBondContact O-NE2 3.23Å
520T68.5Low75.6Confident74 Ų7437.3 Ų37.345%0.45421%0.207SC..THydrogen-bonded Turntrans-59-33.4-178.149.40000113.2R501 S522R501-T520 VanDerWaalsContact NH1-CG2 3.34Å; T520-S522 PolarHBondContact O-N 3.5Å
521N70.7Confident75.6Confident152 Ų15238.5 Ų38.581%0.81321%0.208SC*.THydrogen-bonded Turntrans-81.5-3.9-177-62.9-3.1000112.6P519P519-N521 PolarHBondContact O-N 3.34Å
522S75Confident75.4Confident13 Ų1342.4 Ų42.49%0.09122%0.221CC..  trans-80.2137.8177.6-174.90000111.6P519 T520 S524 H525 D558P519-S522 WeakPolarHBondContact O-CB 3.28Å; P519-S522 PolarHBondContact O-N 3.32Å; P519-S522 VanDerWaalsContact O-N 3.09Å; T520-S522 PolarHBondContact O-N 3.5Å; S522-S524 PolarHBondContact O-N 3.29Å; S522-S524 PolarHBondContact OG-N 2.94Å; S522-S524 PolarHBondContact OG-OG 3.38Å; S522-S524 VanDerWaalsContact OG-OG 3.05Å; S522-H525 PolarHBondContact O-CD2 3.43Å; S522-D558 VanDerWaalsContact CB-OD2 3.31Å; S522-D558 WeakPolarHBondContact CB-OD2 3.49Å; S522-D558 PolarHBondContact OG-OD1 2.89Å; S522-D558 PolarHBondContact OG-OD2 3.48Å
523M79.3Confident74.8Confident83 Ų8350.8 Ų50.841%0.40926%0.257SS..THydrogen-bonded Turntrans-79.515171.9-63.3-61.7-66.200112.4H525 H529 A554M523-H525 VanDerWaalsContact C-N 3.29Å; M523-H529 VanDerWaalsContact CE-CE1 3.46Å; M523-H529 WeakPolarHBondContact CE-CE1 3.26Å; M523-H529 PolarHBondContact O-NE2 2.97Å; M523-A554 VanDerWaalsContact C-CB 3.5Å; M523-A554 HydrophobicContact CB-CB 3.86Å
524S81.6Confident73.9Confident0 Ų056 Ų560%028%0.283CS..THydrogen-bonded Turntrans-73.7-20176.254.50000113.4L502 S522 M551 D558L502-S524 WeakPolarHBondContact CD1-O 3.46Å; S522-S524 PolarHBondContact O-N 3.29Å; S522-S524 PolarHBondContact OG-N 2.94Å; S522-S524 PolarHBondContact OG-OG 3.38Å; S522-S524 VanDerWaalsContact OG-OG 3.05Å; S524-M551 VanDerWaalsContact O-CE 3.29Å; S524-M551 WeakPolarHBondContact O-CE 3.1Å; S524-M551 WeakPolarHBondContact O-CG 3.37Å; S524-D558 WeakPolarHBondContact CB-OD2 3.4Å; S524-D558 PolarHBondContact OG-OD2 3.3Å
525H84.3Confident73Confident3 Ų360.5 Ų60.51%0.01431%0.306CS..SBendtrans-82.6130.7-177.6-55-69.1000112.2R501 L502 F518 P519 S522 M523 R527 T528 H529R501-H525 VanDerWaalsContact CA-ND1 3.28Å; R501-H525 WeakPolarHBondContact CA-ND1 3.24Å; R501-H525 WeakPolarHBondContact CB-ND1 3.46Å; L502-H525 PolarHBondContact N-ND1 2.94Å; F518-H525 PolarHBondContact O-NE2 3.34Å; P519-H525 PolarHBondContact O-NE2 3.23Å; S522-H525 PolarHBondContact O-CD2 3.43Å; M523-H525 VanDerWaalsContact C-N 3.29Å; H525-R527 PolarHBondContact O-N 2.86Å; H525-R527 VanDerWaalsContact O-N 3.16Å; H525-T528 HydrophobicContact CB-CG2 4.17Å; H525-T528 PolarHBondContact O-N 3.48Å; H525-T528 PolarHBondContact O-OG1 3.38Å; H525-H529 PolarHBondContact O-CD2 2.89Å
526P80.2Confident72.1Confident0 Ų067.3 Ų67.30%034%0.336CS..Hα-helixtrans-55-35.3176.8-27.232.8000114.3L416 W435 M438 G500 T528 H529 L530 M551L416-P526 HydrophobicContact CD1-CG 4.23Å; W435-P526 HydrophobicContact CB-CB 3.86Å; W435-P526 HydrophobicContact CB-CG 4.26Å; W435-P526 VanDerWaalsContact CD1-CB 3.49Å; W435-P526 HydrophobicContact CG-CB 3.77Å; M438-P526 HydrophobicContact SD-CB 4.28Å; G500-P526 WeakPolarHBondContact O-CD 3.43Å; P526-T528 VanDerWaalsContact C-N 3.3Å; P526-T528 PolarHBondContact O-N 3.47Å; P526-H529 PolarHBondContact O-N 2.84Å; P526-L530 PolarHBondContact O-N 2.91Å; P526-M551 HydrophobicContact CG-CE 3.74Å; P526-M551 HydrophobicContact CG-SD 4.03Å
527R78.9Confident71.3Confident73 Ų7371.4 Ų71.428%0.27536%0.364SS..Hα-helixtrans-63.7-28.3-178.8179.9171.3175164.7-3.8114W435 E496 D497 I499 H525 H529W435-R527 HydrophobicContact CZ2-CB 4.3Å; W435-R527 HydrophobicContact CZ2-CG 4.41Å; E496-R527 PolarHBondContact O-NH1 3.45Å; D497-R527 IonicContact OD1-NH2 3.17Å; I499-R527 WeakPolarHBondContact O-CD 3.23Å; I499-R527 PolarHBondContact O-NH1 2.7Å; H525-R527 PolarHBondContact O-N 2.86Å; H525-R527 VanDerWaalsContact O-N 3.16Å; R527-H529 VanDerWaalsContact C-N 3.29Å; R527-H529 PolarHBondContact O-N 2.89Å
528T77.8Confident70.6Confident55 Ų5577.1 Ų77.134%0.33740%0.395SS..Hα-helixtrans-72-27.4-178.356.30000112.4H525 P526H525-T528 HydrophobicContact CB-CG2 4.17Å; H525-T528 PolarHBondContact O-N 3.48Å; H525-T528 PolarHBondContact O-OG1 3.38Å; P526-T528 VanDerWaalsContact C-N 3.3Å; P526-T528 PolarHBondContact O-N 3.47Å
529H76.8Confident70.1Confident18 Ų1881.1 Ų81.18%0.08342%0.416CS..Hα-helixtrans-84.9-31.2179.3-64.5-81.6000113.5M438 M523 H525 P526 R527 S547 Q550M438-H529 HydrophobicContact CE-CB 4.14Å; M523-H529 VanDerWaalsContact CE-CE1 3.46Å; M523-H529 WeakPolarHBondContact CE-CE1 3.26Å; M523-H529 PolarHBondContact O-NE2 2.97Å; H525-H529 PolarHBondContact O-CD2 2.89Å; P526-H529 PolarHBondContact O-N 2.84Å; R527-H529 VanDerWaalsContact C-N 3.29Å; R527-H529 PolarHBondContact O-N 2.89Å; H529-S547 VanDerWaalsContact CB-CB 3.48Å; H529-Q550 VanDerWaalsContact CE1-CB 3.49Å; H529-Q550 WeakPolarHBondContact CE1-CB 3.43Å; H529-Q550 PolarHBondContact ND1-OE1 3.23Å
530L72.8Confident70.2Confident6 Ų679.6 Ų79.63%0.03140%0.404CS..  trans-125.8108-171.5-73.8-178.2000110.7W431 I434 M438 P526 L543 I544W431-L530 HydrophobicContact CZ3-CB 4.13Å; I434-L530 HydrophobicContact CG2-CD1 3.3Å; M438-L530 HydrophobicContact CG-CD1 4.39Å; M438-L530 HydrophobicContact SD-CD1 3.27Å; M438-L530 WeakPolarHBondContact SD-CD1 3.5Å; M438-L530 HydrophobicContact SD-CG 3.96Å; P526-L530 PolarHBondContact O-N 2.91Å; L530-L543 HydrophobicContact CD2-CD2 3.07Å; L530-L543 HydrophobicContact CG-CD2 4.28Å; L530-I544 HydrophobicContact CD1-CG1 4.24Å
531N66.3Low70.6Confident92 Ų9284.2 Ų84.249%0.49242%0.418SS..  trans-105.1156.6174-81.8-30.6000111.8K533 M534N531-K533 PolarHBondContact O-N 2.86Å; N531-M534 PolarHBondContact O-N 3.32Å; N531-M534 VanDerWaalsContact O-N 3.09Å
532E61.4Low71Confident150 Ų15080.8 Ų80.870%0.70140%0.403SS*.G310 helixtrans-55.2-27.8-177.7-64.7-171154.900114.7W431 M534W431-E532 VanDerWaalsContact CZ2-CA 3.45Å; W431-E532 HydrophobicContact CZ2-CB 4.08Å; W431-E532 HydrophobicContact CZ2-CG 3.87Å; E532-M534 VanDerWaalsContact C-N 3.32Å; E532-M534 PolarHBondContact O-N 3.33Å
533K59.8Low71.3Confident211 Ų21182.5 Ų82.592%0.91741%0.411SS*.G310 helixtrans-76.2-11.9-177.4-62.2-177.7-179.7178.20114.6N531N531-K533 PolarHBondContact O-N 2.86Å
534M57.5Low71.4Confident116 Ų11679.4 Ų79.457%0.57140%0.395SS*.G310 helixtrans-94.16.6-170.5-74.6-172.6167.900115.5N531 E532 K536 L543N531-M534 PolarHBondContact O-N 3.32Å; N531-M534 VanDerWaalsContact O-N 3.09Å; E532-M534 VanDerWaalsContact C-N 3.32Å; E532-M534 PolarHBondContact O-N 3.33Å; M534-K536 PolarHBondContact O-N 3.34Å; M534-L543 HydrophobicContact SD-CD1 4.42Å
535L55.7Low71.4Confident94 Ų9483.7 Ų83.749%0.49242%0.418SS..  trans-7688.9-179.1-10892.4000112.8W431W431-L535 HydrophobicContact CH2-CD1 3.36Å; W431-L535 HydrophobicContact CZ2-CD1 3.53Å; W431-L535 HydrophobicContact CZ3-CD1 4.31Å
536K61.7Low71.5Confident150 Ų15090.4 Ų90.465%0.65245%0.447SS*.  trans-99.9122.3144.4-71.6-175.2-178.8178.40107.6M534 N538 D539 L540M534-K536 PolarHBondContact O-N 3.34Å; K536-N538 PolarHBondContact O-N 3.47Å; K536-N538 VanDerWaalsContact O-N 3.15Å; K536-D539 PolarHBondContact O-N 2.99Å; K536-D539 VanDerWaalsContact O-N 3.12Å; K536-L540 PolarHBondContact O-N 2.87Å
537P59.9Low71.7Confident104 Ų10490.6 Ų90.668%0.67545%0.448SS*.THydrogen-bonded Turntrans-59.3-31.1-172.219.6-30.8000113.4D539P537-D539 PolarHBondContact O-N 3.06Å
538N63.2Low72.1Confident151 Ų15187.1 Ų87.181%0.80744%0.435SS*.THydrogen-bonded Turntrans-68.7-32.8-179.6-69.2-2.3000113K536K536-N538 PolarHBondContact O-N 3.47Å; K536-N538 VanDerWaalsContact O-N 3.15Å
539D68.7Low72.5Confident90 Ų9089.9 Ų89.948%0.48144%0.444SS..THydrogen-bonded Turntrans-93.7-7.2-177.1-64.1-33.9000112.7K536 P537 K541 T542 L543K536-D539 PolarHBondContact O-N 2.99Å; K536-D539 VanDerWaalsContact O-N 3.12Å; P537-D539 PolarHBondContact O-N 3.06Å; D539-K541 PolarHBondContact O-N 3.43Å; D539-T542 PolarHBondContact O-N 2.96Å; D539-T542 PolarHBondContact O-OG1 3.37Å; D539-L543 WeakPolarHBondContact O-CB 3.18Å; D539-L543 PolarHBondContact O-N 3.34Å
540L74.1Confident72.9Confident36 Ų3694.3 Ų94.319%0.18847%0.465CS..Hα-helixtrans-61.1-43.4-173.8-175.465.8000112.2K536 L543 I544K536-L540 PolarHBondContact O-N 2.87Å; L540-L543 PolarHBondContact O-N 3.29Å; L540-I544 HydrophobicContact CD1-CD1 4.07Å; L540-I544 HydrophobicContact CD1-CG1 4.32Å; L540-I544 HydrophobicContact CD2-CD1 4.45Å; L540-I544 HydrophobicContact CG-CD1 3.79Å; L540-I544 HydrophobicContact CG-CG1 4.43Å; L540-I544 WeakPolarHBondContact O-CB 3.39Å; L540-I544 WeakPolarHBondContact O-CD1 3.41Å; L540-I544 WeakPolarHBondContact O-CG1 3.33Å; L540-I544 PolarHBondContact O-N 2.81Å
541K77.9Confident73.6Confident171 Ų17194 Ų9474%0.74346%0.464SS*.Hα-helixtrans-65.4-42.7-178.4-74.6-176.1179.4178.10112.7D539 L545D539-K541 PolarHBondContact O-N 3.43Å; K541-L545 PolarHBondContact O-N 2.82Å
542T77.8Confident74.6Confident80 Ų8091.2 Ų91.249%0.49145%0.448SS..Hα-helixtrans-72.4-36.6-179.554.30000110.9D539 L545 K546D539-T542 PolarHBondContact O-N 2.96Å; D539-T542 PolarHBondContact O-OG1 3.37Å; T542-L545 PolarHBondContact O-N 3.01Å; T542-K546 PolarHBondContact O-N 3.07Å; T542-K546 VanDerWaalsContact O-N 3.09Å
543L80.8Confident75.8Confident50 Ų5088.5 Ų88.526%0.26244%0.441SS..Hα-helixtrans-68.6-41.6177-160.8153.5000111.4L530 M534 D539 L540 L545 K546 S547L530-L543 HydrophobicContact CD2-CD2 3.07Å; L530-L543 HydrophobicContact CG-CD2 4.28Å; M534-L543 HydrophobicContact SD-CD1 4.42Å; D539-L543 WeakPolarHBondContact O-CB 3.18Å; D539-L543 PolarHBondContact O-N 3.34Å; L540-L543 PolarHBondContact O-N 3.29Å; L543-L545 VanDerWaalsContact C-N 3.28Å; L543-L545 PolarHBondContact O-N 2.68Å; L543-K546 PolarHBondContact O-N 2.74Å; L543-S547 WeakPolarHBondContact O-CB 3.44Å; L543-S547 PolarHBondContact O-N 3.31Å; L543-S547 PolarHBondContact O-OG 2.74Å
544I81.6Confident77.1Confident17 Ų1779.2 Ų79.29%0.08740%0.404CS..Hα-helixtrans-57.6-41.8171.4-71.7166.2000110.9I434 M438 L530 L540 S547 T548I434-I544 HydrophobicContact CG2-CD1 4.38Å; M438-I544 HydrophobicContact CG-CG2 4.2Å; L530-I544 HydrophobicContact CD1-CG1 4.24Å; L540-I544 HydrophobicContact CD1-CD1 4.07Å; L540-I544 HydrophobicContact CD1-CG1 4.32Å; L540-I544 HydrophobicContact CD2-CD1 4.45Å; L540-I544 HydrophobicContact CG-CD1 3.79Å; L540-I544 HydrophobicContact CG-CG1 4.43Å; L540-I544 WeakPolarHBondContact O-CB 3.39Å; L540-I544 WeakPolarHBondContact O-CD1 3.41Å; L540-I544 WeakPolarHBondContact O-CG1 3.33Å; L540-I544 PolarHBondContact O-N 2.81Å; I544-S547 WeakPolarHBondContact CA-OG 3.36Å; I544-S547 PolarHBondContact O-OG 2.82Å; I544-T548 HydrophobicContact CG2-CG2 4.27Å; I544-T548 WeakPolarHBondContact O-CB 3.49Å; I544-T548 WeakPolarHBondContact O-CG2 3.36Å; I544-T548 PolarHBondContact O-N 2.86Å; I544-T548 PolarHBondContact O-OG1 3.39Å; I544-T548 VanDerWaalsContact O-OG1 3.07Å
545L83.1Confident78.5Confident90 Ų9073.8 Ų73.847%0.47138%0.377SS..Hα-helixtrans-64-49.5179.6-173.467.9000111.5K541 T542 L543 S547 T548 E549K541-L545 PolarHBondContact O-N 2.82Å; T542-L545 PolarHBondContact O-N 3.01Å; L543-L545 VanDerWaalsContact C-N 3.28Å; L543-L545 PolarHBondContact O-N 2.68Å; L545-S547 PolarHBondContact O-N 2.8Å; L545-T548 WeakPolarHBondContact CA-OG1 3.42Å; L545-T548 PolarHBondContact O-N 2.95Å; L545-T548 PolarHBondContact O-OG1 2.64Å; L545-E549 PolarHBondContact O-N 2.78Å
546K84.6Confident80Confident144 Ų14469.9 Ų69.963%0.62636%0.357SS*.Hα-helixtrans-62-42.7178.3-70.9-179.5179.3-178.90112.2T542 L543 T548 E549 Q550T542-K546 PolarHBondContact O-N 3.07Å; T542-K546 VanDerWaalsContact O-N 3.09Å; L543-K546 PolarHBondContact O-N 2.74Å; K546-T548 VanDerWaalsContact C-N 3.32Å; K546-T548 PolarHBondContact O-N 2.91Å; K546-E549 PolarHBondContact O-N 3.22Å; K546-Q550 WeakPolarHBondContact O-CG 3.25Å; K546-Q550 PolarHBondContact O-N 2.8Å
547S85Confident81.1Confident4 Ų467.1 Ų67.13%0.02835%0.349CS..Hα-helixtrans-66.7-34.7177.760.70000112.3M438 H529 L543 I544 L545 E549 Q550 M551M438-S547 VanDerWaalsContact CE-OG 3.26Å; M438-S547 WeakPolarHBondContact CE-OG 3.49Å; H529-S547 VanDerWaalsContact CB-CB 3.48Å; L543-S547 WeakPolarHBondContact O-CB 3.44Å; L543-S547 PolarHBondContact O-N 3.31Å; L543-S547 PolarHBondContact O-OG 2.74Å; I544-S547 WeakPolarHBondContact CA-OG 3.36Å; I544-S547 PolarHBondContact O-OG 2.82Å; L545-S547 PolarHBondContact O-N 2.8Å; S547-E549 PolarHBondContact O-N 2.92Å; S547-Q550 PolarHBondContact O-N 3.42Å; S547-M551 WeakPolarHBondContact O-CB 3.27Å; S547-M551 PolarHBondContact O-N 2.83Å
548T86.8Confident82.3Confident1 Ų162.8 Ų62.81%0.00632%0.32CS..Hα-helixtrans-64.3-38.9175.352.30000112.7M438 R441 T442 I544 L545 K546 H552M438-T548 HydrophobicContact CB-CG2 4.09Å; M438-T548 HydrophobicContact CE-CG2 4.46Å; M438-T548 HydrophobicContact CG-CG2 3.99Å; R441-T548 HydrophobicContact CB-CG2 3.97Å; T442-T548 HydrophobicContact CG2-CG2 4.13Å; T442-T548 VanDerWaalsContact CG2-O 3.25Å; T442-T548 WeakPolarHBondContact CG2-O 3.43Å; I544-T548 HydrophobicContact CG2-CG2 4.27Å; I544-T548 WeakPolarHBondContact O-CB 3.49Å; I544-T548 WeakPolarHBondContact O-CG2 3.36Å; I544-T548 PolarHBondContact O-N 2.86Å; I544-T548 PolarHBondContact O-OG1 3.39Å; I544-T548 VanDerWaalsContact O-OG1 3.07Å; L545-T548 WeakPolarHBondContact CA-OG1 3.42Å; L545-T548 PolarHBondContact O-N 2.95Å; L545-T548 PolarHBondContact O-OG1 2.64Å; K546-T548 VanDerWaalsContact C-N 3.32Å; K546-T548 PolarHBondContact O-N 2.91Å; T548-H552 VanDerWaalsContact O-CB 3.26Å; T548-H552 WeakPolarHBondContact O-CB 3.01Å; T548-H552 PolarHBondContact O-N 2.9Å
549E86Confident83.3Confident112 Ų11255.7 Ų55.752%0.52328%0.282SS..Hα-helixtrans-65.9-43.1176.3-69175.7176.400111.8L545 K546 S547 H552 T553L545-E549 PolarHBondContact O-N 2.78Å; K546-E549 PolarHBondContact O-N 3.22Å; S547-E549 PolarHBondContact O-N 2.92Å; E549-H552 WeakPolarHBondContact O-CB 3.37Å; E549-H552 PolarHBondContact O-N 2.93Å; E549-T553 PolarHBondContact O-N 3.05Å
550Q85.6Confident84Confident111 Ų11157 Ų5752%0.51928%0.284SS..Hα-helixtrans-65.4-46.5176.7-67.4179-8.800111.7H529 K546 S547 H552 T553 A554H529-Q550 VanDerWaalsContact CE1-CB 3.49Å; H529-Q550 WeakPolarHBondContact CE1-CB 3.43Å; H529-Q550 PolarHBondContact ND1-OE1 3.23Å; K546-Q550 WeakPolarHBondContact O-CG 3.25Å; K546-Q550 PolarHBondContact O-N 2.8Å; S547-Q550 PolarHBondContact O-N 3.42Å; Q550-H552 VanDerWaalsContact C-N 3.29Å; Q550-H552 PolarHBondContact O-N 2.87Å; Q550-T553 PolarHBondContact O-N 3.38Å; Q550-T553 PolarHBondContact O-OG1 3.43Å; Q550-A554 PolarHBondContact O-N 2.98Å
551M88Confident84.3Confident0 Ų059.1 Ų59.10%030%0.295CS..Hα-helixtrans-59.3-40175.6-178.2-172.6165.200111.5M438 L439 T442 L502 S524 P526 S547 A554 L555M438-M551 HydrophobicContact CB-SD 4.41Å; M438-M551 HydrophobicContact CE-SD 3.98Å; L439-M551 HydrophobicContact CB-CE 4.41Å; L439-M551 HydrophobicContact CD1-CE 3.73Å; T442-M551 HydrophobicContact CG2-CB 3.92Å; T442-M551 HydrophobicContact CG2-CE 4.3Å; T442-M551 HydrophobicContact CG2-CG 3.9Å; T442-M551 HydrophobicContact CG2-SD 3.64Å; L502-M551 HydrophobicContact CD1-CE 4.29Å; S524-M551 VanDerWaalsContact O-CE 3.29Å; S524-M551 WeakPolarHBondContact O-CE 3.1Å; S524-M551 WeakPolarHBondContact O-CG 3.37Å; P526-M551 HydrophobicContact CG-CE 3.74Å; P526-M551 HydrophobicContact CG-SD 4.03Å; S547-M551 WeakPolarHBondContact O-CB 3.27Å; S547-M551 PolarHBondContact O-N 2.83Å; M551-A554 PolarHBondContact O-N 3.39Å; M551-L555 HydrophobicContact CE-CD1 3.94Å; M551-L555 WeakPolarHBondContact O-CB 3.22Å; M551-L555 PolarHBondContact O-N 3.15Å
552H88.4Confident84.4Confident34 Ų3451.2 Ų51.216%0.15726%0.261CS..Hα-helixtrans-57.4-50.5176.8166.574.5000111.7T442 S446 D449 T548 E549 Q550 A554 L555 M556T442-H552 HydrophobicContact CG2-CB 4.46Å; S446-H552 WeakPolarHBondContact CB-ND1 3.45Å; D449-H552 IonicContact OD2-CE1 3.58Å; D449-H552 IonicContact OD2-NE2 3.89Å; T548-H552 VanDerWaalsContact O-CB 3.26Å; T548-H552 WeakPolarHBondContact O-CB 3.01Å; T548-H552 PolarHBondContact O-N 2.9Å; E549-H552 WeakPolarHBondContact O-CB 3.37Å; E549-H552 PolarHBondContact O-N 2.93Å; Q550-H552 VanDerWaalsContact C-N 3.29Å; Q550-H552 PolarHBondContact O-N 2.87Å; H552-A554 PolarHBondContact O-N 2.93Å; H552-L555 PolarHBondContact O-N 3.36Å; H552-M556 WeakPolarHBondContact O-CG 3.43Å; H552-M556 PolarHBondContact O-N 3.37Å
553T85.2Confident84.4Confident92 Ų9247.9 Ų47.956%0.56424%0.24SC*.Hα-helixtrans-61.9-42.2-179.859.20000113E549 Q550 N557E549-T553 PolarHBondContact O-N 3.05Å; Q550-T553 PolarHBondContact O-N 3.38Å; Q550-T553 PolarHBondContact O-OG1 3.43Å; T553-N557 PolarHBondContact O-N 3.41Å
554A86.7Confident84.2Confident17 Ų1751.8 Ų51.814%0.1426%0.257CS..Hα-helixtrans-67.2-44.9177.500000112.2M523 Q550 M551 H552 M556 N557 D558M523-A554 VanDerWaalsContact C-CB 3.5Å; M523-A554 HydrophobicContact CB-CB 3.86Å; Q550-A554 PolarHBondContact O-N 2.98Å; M551-A554 PolarHBondContact O-N 3.39Å; H552-A554 PolarHBondContact O-N 2.93Å; A554-M556 PolarHBondContact O-N 2.97Å; A554-N557 WeakPolarHBondContact O-CB 3.42Å; A554-N557 PolarHBondContact O-N 3.31Å; A554-D558 PolarHBondContact O-N 3.46Å
555L88Confident83.8Confident1 Ų152.5 Ų52.51%0.00526%0.261CS..Hα-helixtrans-63.5-41.3-179.9-169.5153000111.3L439 L502 M551 H552 N557 D558 L559L439-L555 HydrophobicContact CD1-CD1 4.27Å; L502-L555 HydrophobicContact CD1-CD1 3.61Å; L502-L555 HydrophobicContact CD1-CG 4.46Å; M551-L555 HydrophobicContact CE-CD1 3.94Å; M551-L555 WeakPolarHBondContact O-CB 3.22Å; M551-L555 PolarHBondContact O-N 3.15Å; H552-L555 PolarHBondContact O-N 3.36Å; L555-N557 VanDerWaalsContact C-N 3.33Å; L555-N557 PolarHBondContact O-N 2.81Å; L555-D558 PolarHBondContact O-N 3.3Å; L555-L559 HydrophobicContact CD2-CD1 3.52Å; L555-L559 HydrophobicContact CD2-CG 3.87Å; L555-L559 WeakPolarHBondContact O-CB 3.21Å; L555-L559 WeakPolarHBondContact O-CG 3.28Å; L555-L559 PolarHBondContact O-N 3.17Å
556M86.6Confident83.3Confident13 Ų1348.2 Ų48.26%0.06424%0.238CC..Hα-helixtrans-64.1-36.9175.4-69.9-57.6101.700112.6D449 L450 H552 A554 L559 K560D449-M556 HydrophobicContact CB-SD 4.01Å; L450-M556 HydrophobicContact CG-CE 4.34Å; H552-M556 WeakPolarHBondContact O-CG 3.43Å; H552-M556 PolarHBondContact O-N 3.37Å; A554-M556 PolarHBondContact O-N 2.97Å; M556-L559 HydrophobicContact CE-CD1 3.89Å; M556-K560 VanDerWaalsContact O-CG 3.31Å; M556-K560 WeakPolarHBondContact O-CG 3.34Å; M556-K560 PolarHBondContact O-N 2.76Å; M556-K560 VanDerWaalsContact O-N 3.1Å
557N86Confident82.6Confident91 Ų9142.9 Ų42.949%0.48722%0.219SC..Hα-helixtrans-65.4-45.3175.6-173.860.9000111.2T553 A554 L555 K560 N561T553-N557 PolarHBondContact O-N 3.41Å; A554-N557 WeakPolarHBondContact O-CB 3.42Å; A554-N557 PolarHBondContact O-N 3.31Å; L555-N557 VanDerWaalsContact C-N 3.33Å; L555-N557 PolarHBondContact O-N 2.81Å; N557-K560 PolarHBondContact O-N 3.35Å; N557-N561 PolarHBondContact O-N 2.78Å; N557-N561 PolarHBondContact O-ND2 3.04Å
558D84.3Confident81.7Confident14 Ų1445.5 Ų45.58%0.07524%0.235CC..Hα-helixtrans-66.6-40.4179-64.2-19.1000111.9F518 S522 S524 A554 L555 K560 N561 V562F518-D558 HydrophobicContact CD1-CB 3.43Å; F518-D558 VanDerWaalsContact CD1-CB 3.43Å; F518-D558 HydrophobicContact CE1-CB 3.38Å; S522-D558 VanDerWaalsContact CB-OD2 3.31Å; S522-D558 WeakPolarHBondContact CB-OD2 3.49Å; S522-D558 PolarHBondContact OG-OD1 2.89Å; S522-D558 PolarHBondContact OG-OD2 3.48Å; S524-D558 WeakPolarHBondContact CB-OD2 3.4Å; S524-D558 PolarHBondContact OG-OD2 3.3Å; A554-D558 PolarHBondContact O-N 3.46Å; L555-D558 PolarHBondContact O-N 3.3Å; D558-K560 VanDerWaalsContact C-N 3.33Å; D558-K560 PolarHBondContact O-N 2.82Å; D558-N561 WeakPolarHBondContact O-CB 3.49Å; D558-N561 PolarHBondContact O-N 3.11Å; D558-V562 WeakPolarHBondContact O-CG2 3.45Å; D558-V562 PolarHBondContact O-N 3.28Å
559L84.1Confident80.6Confident2 Ų245.8 Ų45.81%0.0124%0.236CC..Hα-helixtrans-62.2-38.9175.9-74.3-171.6000112.5L414 L450 L453 F463 F518 L555 M556 N561 V562 I563L414-L559 HydrophobicContact CD1-CD2 4.07Å; L450-L559 HydrophobicContact CD2-CD1 3.74Å; L453-L559 HydrophobicContact CD1-CB 4.41Å; F463-L559 HydrophobicContact CD1-CD1 4.49Å; F463-L559 HydrophobicContact CD1-CD2 3.74Å; F463-L559 HydrophobicContact CE1-CD2 3.37Å; F463-L559 HydrophobicContact CG-CD1 4.47Å; F463-L559 HydrophobicContact CG-CD2 4.47Å; F463-L559 HydrophobicContact CZ-CD2 3.83Å; F518-L559 HydrophobicContact CE1-CD2 4.47Å; F518-L559 HydrophobicContact CZ-CD2 4.06Å; L555-L559 HydrophobicContact CD2-CD1 3.52Å; L555-L559 HydrophobicContact CD2-CG 3.87Å; L555-L559 WeakPolarHBondContact O-CB 3.21Å; L555-L559 WeakPolarHBondContact O-CG 3.28Å; L555-L559 PolarHBondContact O-N 3.17Å; M556-L559 HydrophobicContact CE-CD1 3.89Å; L559-N561 VanDerWaalsContact C-N 3.33Å; L559-N561 PolarHBondContact O-N 2.8Å; L559-V562 PolarHBondContact O-N 3.26Å; L559-I563 VanDerWaalsContact O-CG1 3.26Å; L559-I563 WeakPolarHBondContact O-CG1 3.4Å; L559-I563 PolarHBondContact O-N 2.75Å
560K82.9Confident79.4Confident118 Ų11840.8 Ų40.851%0.51321%0.213SC..Hα-helixtrans-60.3-43.7173.8-76.5171.7-177.3178.40111.5L453 M556 N557 D558 I563 Q564L453-K560 HydrophobicContact CD2-CG 3.9Å; M556-K560 VanDerWaalsContact O-CG 3.31Å; M556-K560 WeakPolarHBondContact O-CG 3.34Å; M556-K560 PolarHBondContact O-N 2.76Å; M556-K560 VanDerWaalsContact O-N 3.1Å; N557-K560 PolarHBondContact O-N 3.35Å; D558-K560 VanDerWaalsContact C-N 3.33Å; D558-K560 PolarHBondContact O-N 2.82Å; K560-I563 PolarHBondContact O-N 3.44Å; K560-Q564 WeakPolarHBondContact O-CB 3.38Å; K560-Q564 PolarHBondContact O-N 3.28Å
561N81Confident78.2Confident80 Ų8041.6 Ų41.643%0.42822%0.215SC..Hα-helixtrans-63.5-42.1177-65.6-25.4000111.7N557 D558 L559 Q564 M565N557-N561 PolarHBondContact O-N 2.78Å; N557-N561 PolarHBondContact O-ND2 3.04Å; D558-N561 WeakPolarHBondContact O-CB 3.49Å; D558-N561 PolarHBondContact O-N 3.11Å; L559-N561 VanDerWaalsContact C-N 3.33Å; L559-N561 PolarHBondContact O-N 2.8Å; N561-Q564 PolarHBondContact O-N 2.85Å; N561-M565 WeakPolarHBondContact O-CB 3.49Å; N561-M565 PolarHBondContact O-N 3.13Å
562V79.7Confident76.5Confident4 Ų444.8 Ų44.82%0.02423%0.232CC..Hα-helixtrans-61.4-50.8175.9170.40000110.7L504 F518 D558 L559 Q564 M565 V566 W590L504-V562 HydrophobicContact CD1-CG1 3.73Å; L504-V562 HydrophobicContact CD2-CG1 4.41Å; F518-V562 HydrophobicContact CE1-CG2 4.12Å; F518-V562 HydrophobicContact CZ-CG2 4.23Å; D558-V562 WeakPolarHBondContact O-CG2 3.45Å; D558-V562 PolarHBondContact O-N 3.28Å; L559-V562 PolarHBondContact O-N 3.26Å; V562-Q564 VanDerWaalsContact C-N 3.3Å; V562-Q564 PolarHBondContact O-N 3.46Å; V562-M565 CarbonylContact O-C 3.57Å; V562-M565 WeakPolarHBondContact O-CB 3.39Å; V562-M565 PolarHBondContact O-N 3.49Å; V562-V566 HydrophobicContact CG1-CG2 4.09Å; V562-V566 WeakPolarHBondContact O-CG2 3.49Å; V562-V566 PolarHBondContact O-N 2.86Å; V562-W590 HydrophobicContact CG1-CH2 3.75Å; V562-W590 HydrophobicContact CG1-CZ2 3.91Å
563I77.9Confident74.7Confident10 Ų1044.3 Ų44.35%0.05123%0.231CC..Hα-helixtrans-60.6-42.3-179.4-65.7161.9000110.7L453 T456 Y461 F463 L559 K560 M565 V566 S567L453-I563 HydrophobicContact CB-CD1 3.82Å; L453-I563 HydrophobicContact CD1-CD1 3.98Å; L453-I563 HydrophobicContact CD2-CD1 3.86Å; L453-I563 HydrophobicContact CG-CD1 4.09Å; T456-I563 HydrophobicContact CG2-CG2 4.46Å; Y461-I563 HydrophobicContact CD2-CG2 4.23Å; Y461-I563 HydrophobicContact CE2-CG2 4.48Å; F463-I563 HydrophobicContact CE2-CD1 3.67Å; F463-I563 HydrophobicContact CE2-CG1 3.72Å; F463-I563 HydrophobicContact CZ-CD1 4.07Å; F463-I563 HydrophobicContact CZ-CG1 3.68Å; L559-I563 VanDerWaalsContact O-CG1 3.26Å; L559-I563 WeakPolarHBondContact O-CG1 3.4Å; L559-I563 PolarHBondContact O-N 2.75Å; K560-I563 PolarHBondContact O-N 3.44Å; I563-M565 VanDerWaalsContact C-N 3.26Å; I563-M565 PolarHBondContact O-N 3.36Å; I563-V566 PolarHBondContact O-N 2.79Å; I563-S567 VanDerWaalsContact O-CB 3.26Å; I563-S567 WeakPolarHBondContact O-CB 3.37Å; I563-S567 PolarHBondContact O-N 3.46Å; I563-S567 PolarHBondContact O-OG 3.29Å
564Q76.3Confident72.8Confident133 Ų13342.5 Ų42.562%0.62122%0.223SC*.Hα-helixtrans-57.8-44.1175.8-174.6175-6.900110.5K560 N561 V562 S567 T568K560-Q564 WeakPolarHBondContact O-CB 3.38Å; K560-Q564 PolarHBondContact O-N 3.28Å; N561-Q564 PolarHBondContact O-N 2.85Å; V562-Q564 VanDerWaalsContact C-N 3.3Å; V562-Q564 PolarHBondContact O-N 3.46Å; Q564-S567 PolarHBondContact O-N 3.32Å; Q564-S567 PolarHBondContact O-OG 3.47Å; Q564-T568 WeakPolarHBondContact O-CG2 3.47Å; Q564-T568 PolarHBondContact O-N 2.7Å; Q564-T568 VanDerWaalsContact O-N 3.11Å
565M73.5Confident70.9Confident32 Ų3248.2 Ų48.216%0.15826%0.258CS..Hα-helixtrans-68.7-43.8178.7-168.5154.423.200113.2N561 V562 I563 S567 T568 T569 Q589 W590N561-M565 WeakPolarHBondContact O-CB 3.49Å; N561-M565 PolarHBondContact O-N 3.13Å; V562-M565 CarbonylContact O-C 3.57Å; V562-M565 WeakPolarHBondContact O-CB 3.39Å; V562-M565 PolarHBondContact O-N 3.49Å; I563-M565 VanDerWaalsContact C-N 3.26Å; I563-M565 PolarHBondContact O-N 3.36Å; M565-S567 VanDerWaalsContact C-N 3.3Å; M565-S567 PolarHBondContact O-N 2.95Å; M565-T568 PolarHBondContact O-N 2.84Å; M565-T568 VanDerWaalsContact O-N 3.14Å; M565-T568 PolarHBondContact O-OG1 3.17Å; M565-T569 PolarHBondContact O-N 3.43Å; M565-Q589 HydrophobicContact CE-CB 4.48Å; M565-Q589 HydrophobicContact SD-CB 4.36Å; M565-W590 HydrophobicContact CB-CZ2 4.4Å; M565-W590 HydrophobicContact CG-CZ2 4.41Å; M565-W590 PolarHBondContact SD-NE1 3.03Å
566V72.9Confident68.9Low0 Ų053 Ų530%029%0.291CS..Hα-helixtrans-62.3-39.2174.6179.40000110.9L412 Y461 W506 V562 I563 T568 T569 D570 W590L412-V566 HydrophobicContact CD2-CG2 4.41Å; Y461-V566 HydrophobicContact CD1-CG1 4.08Å; Y461-V566 HydrophobicContact CE1-CB 4.34Å; Y461-V566 HydrophobicContact CE1-CG1 3.28Å; W506-V566 HydrophobicContact CD2-CG1 4.43Å; W506-V566 HydrophobicContact CE3-CG1 4.27Å; W506-V566 HydrophobicContact CE3-CG2 4.26Å; W506-V566 HydrophobicContact CH2-CG1 3.65Å; W506-V566 HydrophobicContact CZ2-CG1 3.8Å; W506-V566 HydrophobicContact CZ3-CG1 3.89Å; W506-V566 HydrophobicContact CZ3-CG2 4.3Å; V562-V566 HydrophobicContact CG1-CG2 4.09Å; V562-V566 WeakPolarHBondContact O-CG2 3.49Å; V562-V566 PolarHBondContact O-N 2.86Å; I563-V566 PolarHBondContact O-N 2.79Å; V566-T568 VanDerWaalsContact C-N 3.27Å; V566-T568 PolarHBondContact O-N 2.86Å; V566-T569 WeakPolarHBondContact CA-OG1 3.37Å; V566-T569 PolarHBondContact O-N 2.88Å; V566-T569 PolarHBondContact O-OG1 3.42Å; V566-D570 PolarHBondContact O-N 3.46Å; V566-W590 HydrophobicContact CG2-CH2 3.29Å; V566-W590 HydrophobicContact CG2-CZ2 3.54Å; V566-W590 HydrophobicContact CG2-CZ3 4.34Å
567S68.9Low66.7Low31 Ų3156.7 Ų56.722%0.21731%0.312CS..Hα-helixtrans-66.2-30.1176.977.70000112.7I563 Q564 M565 K571I563-S567 VanDerWaalsContact O-CB 3.26Å; I563-S567 WeakPolarHBondContact O-CB 3.37Å; I563-S567 PolarHBondContact O-N 3.46Å; I563-S567 PolarHBondContact O-OG 3.29Å; Q564-S567 PolarHBondContact O-N 3.32Å; Q564-S567 PolarHBondContact O-OG 3.47Å; M565-S567 VanDerWaalsContact C-N 3.3Å; M565-S567 PolarHBondContact O-N 2.95Å; S567-K571 VanDerWaalsContact O-CG 3.3Å; S567-K571 WeakPolarHBondContact O-CG 3.46Å; S567-K571 PolarHBondContact O-N 3.39Å
568T67.3Low64.6Low60 Ų6060.9 Ų60.937%0.36833%0.328SS..Hα-helixtrans-74.3-35.1174.157.70000112.1Q564 M565 V566 L572Q564-T568 WeakPolarHBondContact O-CG2 3.47Å; Q564-T568 PolarHBondContact O-N 2.7Å; Q564-T568 VanDerWaalsContact O-N 3.11Å; M565-T568 PolarHBondContact O-N 2.84Å; M565-T568 VanDerWaalsContact O-N 3.14Å; M565-T568 PolarHBondContact O-OG1 3.17Å; V566-T568 VanDerWaalsContact C-N 3.27Å; V566-T568 PolarHBondContact O-N 2.86Å; T568-L572 WeakPolarHBondContact O-CD1 3.1Å; T568-L572 WeakPolarHBondContact O-CG 3.46Å
569T63.2Low62.6Low6 Ų663.8 Ų63.84%0.03734%0.343CS..Hα-helixtrans-71.8-42.6175.956.20000111.1M565 V566 K571 L572 T573 V586 T587M565-T569 PolarHBondContact O-N 3.43Å; V566-T569 WeakPolarHBondContact CA-OG1 3.37Å; V566-T569 PolarHBondContact O-N 2.88Å; V566-T569 PolarHBondContact O-OG1 3.42Å; T569-K571 VanDerWaalsContact C-N 3.33Å; T569-K571 PolarHBondContact O-N 3.37Å; T569-L572 WeakPolarHBondContact O-CA 3.39Å; T569-L572 WeakPolarHBondContact O-CB 3.46Å; T569-L572 PolarHBondContact O-N 3.36Å; T569-T573 WeakPolarHBondContact O-CG2 3.4Å; T569-T573 PolarHBondContact O-N 3.28Å; T569-T573 PolarHBondContact O-OG1 2.89Å; T569-V586 HydrophobicContact CG2-CB 4.33Å; T569-V586 HydrophobicContact CG2-CG1 3.67Å; T569-T587 HydrophobicContact CG2-CG2 4.11Å
570D60.7Low60.7Low8 Ų867.9 Ų67.94%0.04337%0.368CS..Hα-helixtrans-63.8-36.4178.8-99.9-2.8000112.5R410 Y461 V566 L572 T573 S574R410-D570 WeakPolarHBondContact CD-OD2 3.46Å; R410-D570 IonicContact CZ-OD1 3.47Å; R410-D570 VanDerWaalsContact CZ-OD1 3.31Å; R410-D570 IonicContact CZ-OD2 2.8Å; R410-D570 IonicContact NE-OD1 3.12Å; R410-D570 PolarHBondContact NE-OD1 2.96Å; R410-D570 IonicContact NE-OD2 3.31Å; R410-D570 PolarHBondContact NE-OD2 3.28Å; R410-D570 IonicContact NH2-OD1 2.85Å; R410-D570 PolarHBondContact NH2-OD1 3.2Å; R410-D570 IonicContact NH2-OD2 3.89Å; Y461-D570 PolarHBondContact OH-OD2 3.46Å; Y461-D570 VanDerWaalsContact OH-OD2 3.07Å; V566-D570 PolarHBondContact O-N 3.46Å; D570-L572 PolarHBondContact O-N 2.98Å; D570-T573 WeakPolarHBondContact CA-OG1 3.47Å; D570-T573 PolarHBondContact O-N 3.27Å; D570-T573 PolarHBondContact O-OG1 2.94Å; D570-T573 VanDerWaalsContact O-OG1 3.14Å; D570-S574 PolarHBondContact O-N 2.85Å; D570-S574 PolarHBondContact O-OG 3.05Å
571K61.1Low58.9Low128 Ų12869.2 Ų69.256%0.55738%0.376SS*.Hα-helixtrans-59.7-31.6172.1-77.1175.4-178.1179.60112.5S567 T569 S574S567-K571 VanDerWaalsContact O-CG 3.3Å; S567-K571 WeakPolarHBondContact O-CG 3.46Å; S567-K571 PolarHBondContact O-N 3.39Å; T569-K571 VanDerWaalsContact C-N 3.33Å; T569-K571 PolarHBondContact O-N 3.37Å; K571-S574 PolarHBondContact O-OG 2.98Å
572L52Low57.2Low66 Ų6667.7 Ų67.735%0.34637%0.371SS..Hα-helixtrans-84.3-28.9-179.7-69163.2000113.5T568 T569 D570 S574 V586T568-L572 WeakPolarHBondContact O-CD1 3.1Å; T568-L572 WeakPolarHBondContact O-CG 3.46Å; T569-L572 WeakPolarHBondContact O-CA 3.39Å; T569-L572 WeakPolarHBondContact O-CB 3.46Å; T569-L572 PolarHBondContact O-N 3.36Å; D570-L572 PolarHBondContact O-N 2.98Å; L572-S574 VanDerWaalsContact C-N 3.3Å; L572-V586 HydrophobicContact CD1-CB 4.15Å; L572-V586 HydrophobicContact CD1-CG1 4.36Å; L572-V586 HydrophobicContact CD1-CG2 3.33Å
573T49.7Very low55.7Low24 Ų2468 Ų6815%0.14737%0.373CS..Hα-helixtrans-82-4.4178.957.50000113.9T569 D570 L579 I583T569-T573 WeakPolarHBondContact O-CG2 3.4Å; T569-T573 PolarHBondContact O-N 3.28Å; T569-T573 PolarHBondContact O-OG1 2.89Å; D570-T573 WeakPolarHBondContact CA-OG1 3.47Å; D570-T573 PolarHBondContact O-N 3.27Å; D570-T573 PolarHBondContact O-OG1 2.94Å; D570-T573 VanDerWaalsContact O-OG1 3.14Å; T573-L579 HydrophobicContact CG2-CD2 3.88Å; T573-I583 HydrophobicContact CG2-CD1 3.98Å; T573-I583 HydrophobicContact CG2-CG1 4.09Å
574S46.6Very low54.4Low55 Ų5571.5 Ų71.539%0.38539%0.392SS..SBendtrans-44.1138167.2-51.70000111D570 K571 L572 S576 N577D570-S574 PolarHBondContact O-N 2.85Å; D570-S574 PolarHBondContact O-OG 3.05Å; K571-S574 PolarHBondContact O-OG 2.98Å; L572-S574 VanDerWaalsContact C-N 3.3Å; S574-S576 PolarHBondContact O-N 3.45Å; S574-N577 PolarHBondContact O-N 3.34Å
575P46.6Very low53.1Low136 Ų13673.3 Ų73.388%0.88340%0.398SS*.THydrogen-bonded Turntrans-68.9-2-152.126.8-35.6000115.9
576S45.3Very low51.9Low101 Ų10174 Ų7471%0.70640%0.403SS*.THydrogen-bonded Turntrans-86.2-10.2-179.163.20000114.5S574S574-S576 PolarHBondContact O-N 3.45Å
577N39.9Very low50.9Low91 Ų9174.4 Ų74.449%0.48741%0.406SS..SBendtrans-120133-170.2-73-17.3000113.7S574 L579S574-N577 PolarHBondContact O-N 3.34Å; N577-L579 WeakPolarHBondContact O-CD1 3.29Å; N577-L579 PolarHBondContact O-N 3.48Å
578H41.8Very low50.1Low179 Ų17977.7 Ų77.783%0.82943%0.429SS*.  trans-43.9102.1171.9-77.2-78.7000112S582H578-S582 PolarHBondContact O-OG 3Å
579L42.8Very low49.7Very low76 Ų7680.5 Ų80.540%0.39844%0.438SS..Hα-helixtrans-73.4-30.7-164.4-81.4103.9000115T573 N577 I583T573-L579 HydrophobicContact CG2-CD2 3.88Å; N577-L579 WeakPolarHBondContact O-CD1 3.29Å; N577-L579 PolarHBondContact O-N 3.48Å; L579-I583 HydrophobicContact CB-CD1 4.27Å; L579-I583 HydrophobicContact CD2-CD1 4.29Å; L579-I583 WeakPolarHBondContact O-CD1 3.06Å; L579-I583 VanDerWaalsContact O-CG1 3.24Å; L579-I583 WeakPolarHBondContact O-CG1 3.12Å; L579-I583 PolarHBondContact O-N 3.27Å
580T45Very low49.9Very low88 Ų8880.4 Ų80.454%0.5444%0.437SS..Hα-helixtrans-73.9-40.2-164.752.30000113.7
581H44.1Very low50.2Low146 Ų14682.2 Ų82.268%0.67644%0.444SS*.Hα-helixtrans-84.4-21-174.5-131.7-51.3000113.3
582S45.4Very low50.3Low47 Ų4777 Ų7733%0.32942%0.421SS..Hα-helixtrans-86-36.6-175.4-50.90000112.1H578 K585H578-S582 PolarHBondContact O-OG 3Å; S582-K585 PolarHBondContact O-N 2.67Å
583I48.5Very low50.9Low10 Ų1074 Ų745%0.05141%0.406CS..Hα-helixtrans-60.7-52.1176.5-67.3168.5000109.3T573 L579 K585 V586 T587 L592T573-I583 HydrophobicContact CG2-CD1 3.98Å; T573-I583 HydrophobicContact CG2-CG1 4.09Å; L579-I583 HydrophobicContact CB-CD1 4.27Å; L579-I583 HydrophobicContact CD2-CD1 4.29Å; L579-I583 WeakPolarHBondContact O-CD1 3.06Å; L579-I583 VanDerWaalsContact O-CG1 3.24Å; L579-I583 WeakPolarHBondContact O-CG1 3.12Å; L579-I583 PolarHBondContact O-N 3.27Å; I583-K585 PolarHBondContact O-N 2.96Å; I583-V586 PolarHBondContact O-N 3.03Å; I583-T587 HydrophobicContact CG2-CG2 3.74Å; I583-T587 PolarHBondContact O-N 3.12Å; I583-T587 PolarHBondContact O-OG1 3.42Å; I583-L592 HydrophobicContact CG2-CD2 4.2Å
584D50.1Low51.5Low84 Ų8478.4 Ų78.445%0.44942%0.423SS..Hα-helixtrans-52.5-31.6-178.8-77.6-9.7000113.7
585K50.2Low52Low172 Ų17277.4 Ų77.475%0.74841%0.413SS*.Hα-helixtrans-74.9-37.7178.2-87.5-176.1176.7177.30113.7S582 I583S582-K585 PolarHBondContact O-N 2.67Å; I583-K585 PolarHBondContact O-N 2.96Å
586V48.9Very low52.5Low45 Ų4574.2 Ų74.227%0.27339%0.393SS..Hα-helixtrans-87.1-31-177178.80000111.3T569 L572 I583 S588T569-V586 HydrophobicContact CG2-CB 4.33Å; T569-V586 HydrophobicContact CG2-CG1 3.67Å; L572-V586 HydrophobicContact CD1-CB 4.15Å; L572-V586 HydrophobicContact CD1-CG1 4.36Å; L572-V586 HydrophobicContact CD1-CG2 3.33Å; I583-V586 PolarHBondContact O-N 3.03Å; V586-S588 PolarHBondContact O-N 2.99Å; V586-S588 VanDerWaalsContact O-N 3.16Å
587T50.9Low53.1Low9 Ų972.8 Ų72.86%0.05538%0.377CS..  trans-8328.2177.857.80000113.1T569 I583 Q589 W590T569-T587 HydrophobicContact CG2-CG2 4.11Å; I583-T587 HydrophobicContact CG2-CG2 3.74Å; I583-T587 PolarHBondContact O-N 3.12Å; I583-T587 PolarHBondContact O-OG1 3.42Å; T587-Q589 PolarHBondContact O-N 2.7Å; T587-W590 HydrophobicContact CG2-CB 4.21Å; T587-W590 CarbonylContact O-C 3.55Å; T587-W590 PolarHBondContact O-N 2.63Å
588S53Low54.3Low101 Ų10169 Ų6971%0.70636%0.356SS*.THydrogen-bonded Turntrans-58.5-24.4179.562.30000113.4V586V586-S588 PolarHBondContact O-N 2.99Å; V586-S588 VanDerWaalsContact O-N 3.16Å
589Q59.1Low55.2Low118 Ų11861.6 Ų61.655%0.55132%0.322SS*.THydrogen-bonded Turntrans-94.7-8.8173.1-65-169.3-1500114.6M565 T587M565-Q589 HydrophobicContact CE-CB 4.48Å; M565-Q589 HydrophobicContact SD-CB 4.36Å; T587-Q589 PolarHBondContact O-N 2.7Å
590W66.1Low56.3Low4 Ų464.1 Ų64.12%0.01533%0.332CS..SBendtrans-110.4143.4-176.9-6567.1000110.7L504 W506 V514 Q516 V562 M565 V566 T587L504-W590 HydrophobicContact CD2-CH2 3.59Å; L504-W590 HydrophobicContact CD2-CZ3 3.39Å; W506-W590 HydrophobicContact CB-CZ3 4.36Å; W506-W590 HydrophobicContact CE3-CH2 4.43Å; W506-W590 HydrophobicContact CE3-CZ3 4.07Å; V514-W590 HydrophobicContact CB-CE3 4.11Å; V514-W590 HydrophobicContact CG1-CB 3.54Å; V514-W590 HydrophobicContact CG1-CD2 4.07Å; V514-W590 HydrophobicContact CG1-CE3 3.46Å; V514-W590 VanDerWaalsContact CG1-CE3 3.46Å; V514-W590 HydrophobicContact CG1-CG 4.18Å; V514-W590 HydrophobicContact CG1-CZ3 4.41Å; Q516-W590 HydrophobicContact CB-CD2 4.08Å; Q516-W590 HydrophobicContact CB-CE3 3.9Å; Q516-W590 HydrophobicContact CB-CZ3 4.33Å; Q516-W590 VanDerWaalsContact OE1-CZ2 3.22Å; V562-W590 HydrophobicContact CG1-CH2 3.75Å; V562-W590 HydrophobicContact CG1-CZ2 3.91Å; M565-W590 HydrophobicContact CB-CZ2 4.4Å; M565-W590 HydrophobicContact CG-CZ2 4.41Å; M565-W590 PolarHBondContact SD-NE1 3.03Å; V566-W590 HydrophobicContact CG2-CH2 3.29Å; V566-W590 HydrophobicContact CG2-CZ2 3.54Å; V566-W590 HydrophobicContact CG2-CZ3 4.34Å; T587-W590 HydrophobicContact CG2-CB 4.21Å; T587-W590 CarbonylContact O-C 3.55Å; T587-W590 PolarHBondContact O-N 2.63Å
591Y66.7Low57.1Low47 Ų4761 Ų6118%0.18431%0.311CS..EExtended strand (participates in β ladder)trans-97.9109.3-179.2-56.6-64.3000109.2C486 C491 V514 Y515C486-Y591 HydrophobicContact CB-CD1 3.79Å; C486-Y591 HydrophobicContact CB-CE1 3.4Å; C486-Y591 VanDerWaalsContact CB-CE1 3.4Å; C491-Y591 PolarHBondContact SG-OH 2.68Å; V514-Y591 WeakPolarHBondContact CA-O 3.07Å; V514-Y591 WeakPolarHBondContact CG1-O 3.22Å; Y515-Y591 HydrophobicContact CD2-CD2 4.07Å; Y515-Y591 HydrophobicContact CE1-CG 4.31Å; Y515-Y591 AromaticContact CE2-CD2 3.55Å; Y515-Y591 HydrophobicContact CE2-CD2 3.55Å; Y515-Y591 HydrophobicContact CE2-CE2 4.48Å; Y515-Y591 AromaticContact CE2-CG 3.99Å; Y515-Y591 HydrophobicContact CE2-CG 3.99Å; Y515-Y591 AromaticContact CZ-CD2 3.87Å; Y515-Y591 AromaticContact CZ-CG 3.81Å; Y515-Y591 PolarHBondContact N-O 3.29Å; Y515-Y591 WeakPolarHBondContact O-CB 3.38Å; Y515-Y591 PolarHBondContact O-N 2.74Å
592L64Low58.1Low17 Ų1754.4 Ų54.49%0.08928%0.281CS..EExtended strand (participates in β ladder)trans-85.1126.2179.5179.662.8000110.4E512 V514 I583 K594E512-L592 HydrophobicContact CB-CD1 4.4Å; V514-L592 HydrophobicContact CG2-CD1 3.71Å; I583-L592 HydrophobicContact CG2-CD2 4.2Å; L592-K594 HydrophobicContact CD2-CG 4.32Å; L592-K594 HydrophobicContact CG-CG 4.27Å
593L64.5Low58.9Low4 Ų457 Ų572%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-111.6111172.4-175.372.1000109.2L480 S483 T513 D595 I598L480-L593 HydrophobicContact CD2-CB 4.41Å; L480-L593 HydrophobicContact CD2-CD2 3.54Å; L480-L593 HydrophobicContact CD2-CG 4.5Å; L480-L593 HydrophobicContact CG-CD2 4.19Å; S483-L593 VanDerWaalsContact CB-CD1 3.4Å; S483-L593 WeakPolarHBondContact OG-CD1 3.31Å; T513-L593 PolarHBondContact N-O 3.14Å; T513-L593 WeakPolarHBondContact O-CA 3.45Å; T513-L593 WeakPolarHBondContact O-CB 3.4Å; T513-L593 PolarHBondContact O-N 2.86Å; L593-D595 HydrophobicContact CG-CB 4.25Å; L593-D595 PolarHBondContact O-N 3.37Å; L593-I598 HydrophobicContact CD2-CD1 3.51Å; L593-I598 HydrophobicContact CD2-CG1 3.44Å; L593-I598 VanDerWaalsContact CD2-CG1 3.44Å; L593-I598 HydrophobicContact CG-CD1 4.3Å; L593-I598 HydrophobicContact CG-CG1 4.49Å
594K62.4Low59.4Low116 Ų11658 Ų5850%0.50430%0.295SS..EExtended strand (participates in β ladder)trans-94.279.6171.2-67.6-179.6179.2166.80108.9T511 E512 L592T511-K594 CarbonylContact O-C 3.55Å; E512-K594 HydrophobicContact CG-CG 4.31Å; L592-K594 HydrophobicContact CD2-CG 4.32Å; L592-K594 HydrophobicContact CG-CG 4.27Å
595D57.7Low59.8Low35 Ų3555.3 Ų55.319%0.18728%0.28CS..  trans-144.8123.4174.1-161.9-5.5000110.8K479 T511 L593 M597 I598K479-D595 IonicContact NZ-OD2 3.99Å; T511-D595 CarbonylContact O-C 3.6Å; T511-D595 PolarHBondContact O-N 3.37Å; L593-D595 HydrophobicContact CG-CB 4.25Å; L593-D595 PolarHBondContact O-N 3.37Å; D595-M597 PolarHBondContact O-N 3.43Å; D595-M597 VanDerWaalsContact OD1-CB 3.26Å; D595-M597 WeakPolarHBondContact OD1-CB 3.41Å; D595-M597 WeakPolarHBondContact OD1-CG 3.46Å; D595-M597 PolarHBondContact OD1-N 3.29Å; D595-I598 WeakPolarHBondContact O-CD1 3.37Å
596C56.8Low59.9Low68 Ų6848.6 Ų48.646%0.45925%0.253SS..THydrogen-bonded Turntrans-66.3-17.7168.957.40000112.5T511T511-C596 HydrophobicContact CG2-CB 4.24Å
597M57.2Low60.1Low72 Ų7247.3 Ų47.336%0.35525%0.245SC..THydrogen-bonded Turntrans-93.78.5-169.6-55-54.1-175.700115.2D595 E599 E600 L601D595-M597 PolarHBondContact O-N 3.43Å; D595-M597 VanDerWaalsContact OD1-CB 3.26Å; D595-M597 WeakPolarHBondContact OD1-CB 3.41Å; D595-M597 WeakPolarHBondContact OD1-CG 3.46Å; D595-M597 PolarHBondContact OD1-N 3.29Å; M597-E599 PolarHBondContact O-N 2.96Å; M597-E599 VanDerWaalsContact O-N 3.09Å; M597-E600 HydrophobicContact CB-CB 4.42Å; M597-E600 PolarHBondContact O-N 2.96Å; M597-E600 HydrophobicContact SD-CG 3.97Å; M597-E600 VanDerWaalsContact SD-OE2 3.35Å; M597-L601 WeakPolarHBondContact O-CG 3.09Å; M597-L601 PolarHBondContact O-N 3.29Å; M597-L601 VanDerWaalsContact O-N 3.16Å
598I64.4Low59.9Low11 Ų1148.4 Ų48.46%0.05626%0.255CS..Hα-helixtrans-51.8-37.3173.3-65159.9000110.8L380 L476 T513 L593 D595 L601 M602L380-I598 HydrophobicContact CD2-CG2 4.01Å; L476-I598 HydrophobicContact CD1-CG2 3.71Å; T513-I598 HydrophobicContact CG2-CD1 3.18Å; T513-I598 WeakPolarHBondContact OG1-CD1 3.34Å; L593-I598 HydrophobicContact CD2-CD1 3.51Å; L593-I598 HydrophobicContact CD2-CG1 3.44Å; L593-I598 VanDerWaalsContact CD2-CG1 3.44Å; L593-I598 HydrophobicContact CG-CD1 4.3Å; L593-I598 HydrophobicContact CG-CG1 4.49Å; D595-I598 WeakPolarHBondContact O-CD1 3.37Å; I598-L601 PolarHBondContact O-N 3.04Å; I598-M602 PolarHBondContact O-N 3.1Å
599E62.6Low59.7Low24 Ų2447 Ų4711%0.11224%0.244CC..Hα-helixtrans-67.5-31.2178.3-74.1-176.5-154.600114.1R377 L381 R507 M597R377-E599 WeakPolarHBondContact CD-O 3.44Å; R377-E599 HydrophobicContact CG-CB 3.75Å; R377-E599 HydrophobicContact CG-CG 4Å; R377-E599 IonicContact CZ-OE2 3.47Å; R377-E599 IonicContact NE-OE2 2.6Å; R377-E599 PolarHBondContact NE-OE2 3.41Å; R377-E599 IonicContact NH2-OE2 3.65Å; R377-E599 PolarHBondContact NH2-OE2 3.44Å; L381-E599 WeakPolarHBondContact CD2-OE1 3.28Å; R507-E599 IonicContact CZ-OE1 3.96Å; R507-E599 IonicContact NH1-OE1 2.91Å; R507-E599 PolarHBondContact NH1-OE1 3.32Å; R507-E599 IonicContact NH2-OE1 2.86Å; R507-E599 PolarHBondContact NH2-OE1 2.8Å; M597-E599 PolarHBondContact O-N 2.96Å; M597-E599 VanDerWaalsContact O-N 3.09Å
600E64.2Low59.2Low129 Ų12947.9 Ų47.960%0.60325%0.252SS*.Hα-helixtrans-80.8-22.1176.6-62.4-167.9163.400112.5M597M597-E600 HydrophobicContact CB-CB 4.42Å; M597-E600 PolarHBondContact O-N 2.96Å; M597-E600 HydrophobicContact SD-CG 3.97Å; M597-E600 VanDerWaalsContact SD-OE2 3.35Å
601L61.9Low58.4Low21 Ų2156.3 Ų56.311%0.1128%0.284CS..Hα-helixtrans-81.8-22.6179.6-63163.2000113.3S475 L476 K479 M597 I598 I603S475-L601 WeakPolarHBondContact OG-CD2 3.47Å; L476-L601 HydrophobicContact CB-CB 4.36Å; K479-L601 HydrophobicContact CB-CD1 3.88Å; K479-L601 HydrophobicContact CD-CD1 3.39Å; K479-L601 HydrophobicContact CD-CD2 3.99Å; K479-L601 HydrophobicContact CD-CG 4.31Å; K479-L601 HydrophobicContact CG-CD1 3.72Å; K479-L601 HydrophobicContact CG-CD2 4.16Å; M597-L601 WeakPolarHBondContact O-CG 3.09Å; M597-L601 PolarHBondContact O-N 3.29Å; M597-L601 VanDerWaalsContact O-N 3.16Å; I598-L601 PolarHBondContact O-N 3.04Å; L601-I603 VanDerWaalsContact C-N 3.29Å; L601-I603 PolarHBondContact O-N 3.06Å
602M65.3Low57.6Low9 Ų957 Ų574%0.04429%0.29CS..  trans-74.185.2171.3-79.4-64.8-56.700109.6I374 R377 L380 Q473 L476 I598I374-M602 HydrophobicContact CG2-CE 3.32Å; I374-M602 HydrophobicContact CG2-SD 4.08Å; R377-M602 HydrophobicContact CB-CB 4.48Å; L380-M602 HydrophobicContact CD2-CG 4.22Å; Q473-M602 HydrophobicContact CB-SD 4.46Å; Q473-M602 VanDerWaalsContact CD-CE 3.44Å; Q473-M602 VanDerWaalsContact CD-SD 3.56Å; Q473-M602 HydrophobicContact CG-CE 3.82Å; Q473-M602 HydrophobicContact CG-SD 3.75Å; Q473-M602 PolarHBondContact OE1-SD 3.22Å; Q473-M602 VanDerWaalsContact OE1-SD 3.38Å; L476-M602 HydrophobicContact CB-SD 4.06Å; L476-M602 HydrophobicContact CD1-CG 3.5Å; L476-M602 VanDerWaalsContact CD1-CG 3.5Å; L476-M602 HydrophobicContact CD1-SD 3.52Å; L476-M602 VanDerWaalsContact CD1-SD 3.52Å; L476-M602 HydrophobicContact CD2-SD 4.28Å; L476-M602 HydrophobicContact CG-SD 4.13Å; I598-M602 PolarHBondContact O-N 3.1Å
603I62.4Low56.8Low100 Ų10058.7 Ų58.751%0.51330%0.295SS..  trans-74.7130.5169.8-57.1172.8000107.2Q473 L601 E605Q473-I603 PolarHBondContact NE2-O 2.93Å; Q473-I603 PolarHBondContact OE1-O 3.31Å; L601-I603 VanDerWaalsContact C-N 3.29Å; L601-I603 PolarHBondContact O-N 3.06Å; I603-E605 PolarHBondContact O-N 3.07Å
604D59.9Low56.1Low31 Ų3163.9 Ų63.917%0.16632%0.321CS..  trans-67.3109.5176.6-175.7-5.8000109.8Y375 L606 V607Y375-D604 WeakPolarHBondContact O-CA 3.34Å; D604-L606 VanDerWaalsContact C-N 3.3Å; D604-L606 PolarHBondContact O-N 3.31Å; D604-L606 PolarHBondContact OD1-N 2.87Å; D604-V607 HydrophobicContact CB-CB 4.39Å; D604-V607 HydrophobicContact CB-CG2 3.34Å; D604-V607 WeakPolarHBondContact O-CB 3.42Å; D604-V607 VanDerWaalsContact O-CG2 3.29Å; D604-V607 WeakPolarHBondContact O-CG2 3.33Å; D604-V607 PolarHBondContact O-N 3.24Å; D604-V607 WeakPolarHBondContact OD2-CG2 3.35Å
605E57.3Low55.8Low28 Ų2865.4 Ų65.413%0.13132%0.323CS..G310 helixtrans-69.5-30.5-175.2-74.4164.3-162.100112.9R373 R472 Q473 I603 V607 A608R373-E605 IonicContact CZ-OE2 3.76Å; R373-E605 IonicContact NE-OE2 3.25Å; R373-E605 IonicContact NH2-OE2 3.78Å; R373-E605 PolarHBondContact NH2-OE2 2.84Å; R472-E605 HydrophobicContact CB-CG 3.66Å; R472-E605 WeakPolarHBondContact CB-OE1 3.41Å; R472-E605 WeakPolarHBondContact CB-OE2 3.37Å; R472-E605 VanDerWaalsContact CD-OE2 3.23Å; R472-E605 WeakPolarHBondContact CD-OE2 3.39Å; Q473-E605 WeakPolarHBondContact CG-OE1 3.17Å; Q473-E605 PolarHBondContact N-OE1 3.39Å; Q473-E605 PolarHBondContact NE2-OE1 2.84Å; I603-E605 PolarHBondContact O-N 3.07Å; E605-V607 PolarHBondContact O-N 2.82Å; E605-A608 WeakPolarHBondContact O-CB 3.24Å; E605-A608 PolarHBondContact O-N 2.86Å
606L53.7Low55.4Low32 Ų3267.1 Ų67.117%0.16833%0.332CS..G310 helixtrans-68.2-13.7178-59.5176.9000110.3T251 R277 Y375 D604 A608 R613T251-L606 HydrophobicContact CG2-CB 3.93Å; T251-L606 HydrophobicContact CG2-CD1 3.76Å; T251-L606 HydrophobicContact CG2-CG 4.45Å; R277-L606 WeakPolarHBondContact O-CD2 3.36Å; Y375-L606 HydrophobicContact CD1-CD1 4.39Å; Y375-L606 HydrophobicContact CD2-CD1 3.71Å; Y375-L606 HydrophobicContact CD2-CG 4.31Å; Y375-L606 HydrophobicContact CE2-CD1 3.95Å; Y375-L606 HydrophobicContact CG-CD1 3.97Å; D604-L606 VanDerWaalsContact C-N 3.3Å; D604-L606 PolarHBondContact O-N 3.31Å; D604-L606 PolarHBondContact OD1-N 2.87Å; L606-A608 PolarHBondContact O-N 2.81Å; L606-R613 PolarHBondContact O-NH2 3.34Å
607V51.4Low55.4Low18 Ų1870.8 Ų70.811%0.10934%0.336CS..G310 helixtrans-79.47.6171.4-165.50000113.3F248 L249 D604 E605F248-V607 VanDerWaalsContact CA-CG1 3.5Å; F248-V607 HydrophobicContact CB-CG1 3.84Å; F248-V607 HydrophobicContact CD1-CG1 3.89Å; F248-V607 HydrophobicContact CG-CG1 4.37Å; L249-V607 HydrophobicContact CB-CG1 4.27Å; L249-V607 WeakPolarHBondContact O-CG1 3.31Å; L249-V607 VanDerWaalsContact O-CG2 3.22Å; L249-V607 WeakPolarHBondContact O-CG2 3.39Å; D604-V607 HydrophobicContact CB-CB 4.39Å; D604-V607 HydrophobicContact CB-CG2 3.34Å; D604-V607 WeakPolarHBondContact O-CB 3.42Å; D604-V607 VanDerWaalsContact O-CG2 3.29Å; D604-V607 WeakPolarHBondContact O-CG2 3.33Å; D604-V607 PolarHBondContact O-N 3.24Å; D604-V607 WeakPolarHBondContact OD2-CG2 3.35Å; E605-V607 PolarHBondContact O-N 2.82Å
608A47Very low55.4Low32 Ų3272 Ų7226%0.26434%0.344SS..  trans-34.6137.4-173.700000115.2E605 L606 I612 R613E605-A608 WeakPolarHBondContact O-CB 3.24Å; E605-A608 PolarHBondContact O-N 2.86Å; L606-A608 PolarHBondContact O-N 2.81Å; A608-I612 HydrophobicContact CB-CB 4.16Å; A608-I612 HydrophobicContact CB-CG2 3.64Å; A608-R613 PolarHBondContact O-NE 3.12Å
609S48.4Very low55.2Low70 Ų7076.5 Ų76.549%0.4937%0.368SS..  trans-47.7148-176.762.60000113.2W611 I612 R613S609-W611 PolarHBondContact O-N 3.3Å; S609-I612 PolarHBondContact O-N 2.84Å; S609-R613 PolarHBondContact O-N 3.03Å
610I48.6Very low54.6Low137 Ų13779.4 Ų79.470%0.70338%0.381SS*.Hα-helixtrans-46.6-32.6-178-158.575.9000112.6R613 M614I610-R613 PolarHBondContact O-N 3.35Å; I610-M614 WeakPolarHBondContact O-CB 3.46Å; I610-M614 PolarHBondContact O-N 2.95Å
611W50.6Low54.6Low181 Ų18177 Ų7769%0.68637%0.372SS*.Hα-helixtrans-69.9-44.4179-174.5-114000114.2S609 R613 M614 R615S609-W611 PolarHBondContact O-N 3.3Å; W611-R613 PolarHBondContact O-N 3.36Å; W611-M614 HydrophobicContact CE3-SD 4.34Å; W611-M614 HydrophobicContact CZ3-SD 4.23Å; W611-M614 PolarHBondContact O-N 3.46Å; W611-R615 WeakPolarHBondContact O-CB 3.32Å; W611-R615 PolarHBondContact O-N 2.95Å
612I49.8Very low54.7Low62 Ų6281.1 Ų81.132%0.31839%0.393SS..Hα-helixtrans-59.9-36.3173.6-93.778000109.8A608 S609 N616A608-I612 HydrophobicContact CB-CB 4.16Å; A608-I612 HydrophobicContact CB-CG2 3.64Å; S609-I612 PolarHBondContact O-N 2.84Å; I612-N616 WeakPolarHBondContact O-CB 3.44Å; I612-N616 VanDerWaalsContact O-CG 3.24Å; I612-N616 PolarHBondContact O-N 3.24Å; I612-N616 PolarHBondContact O-OD1 2.93Å
613R47.6Very low54.6Low52 Ų5284.1 Ų84.120%0.19641%0.412CS..Hα-helixtrans-72.4-43.4178.3-62.8-179.3-173.6-164.1-6.4112.3L606 A608 S609 I610 W611 R615 N616 R617L606-R613 PolarHBondContact O-NH2 3.34Å; A608-R613 PolarHBondContact O-NE 3.12Å; S609-R613 PolarHBondContact O-N 3.03Å; I610-R613 PolarHBondContact O-N 3.35Å; W611-R613 PolarHBondContact O-N 3.36Å; R613-R615 PolarHBondContact O-N 3.34Å; R613-N616 PolarHBondContact O-N 2.94Å; R613-R617 WeakPolarHBondContact O-CB 3.4Å; R613-R617 PolarHBondContact O-N 3.11Å
614M49.6Very low54.4Low114 Ų11483.5 Ų83.556%0.56241%0.41SS*.Hα-helixtrans-57.9-42174.7-151.9176.5-159.200109.9I610 W611 L618I610-M614 WeakPolarHBondContact O-CB 3.46Å; I610-M614 PolarHBondContact O-N 2.95Å; W611-M614 HydrophobicContact CE3-SD 4.34Å; W611-M614 HydrophobicContact CZ3-SD 4.23Å; W611-M614 PolarHBondContact O-N 3.46Å; M614-L618 HydrophobicContact CG-CD1 4.47Å; M614-L618 WeakPolarHBondContact O-CB 3.3Å; M614-L618 PolarHBondContact O-N 3.22Å
615R55.2Low54.6Low147 Ų14786.3 Ų86.356%0.55542%0.424SS*.Hα-helixtrans-63.5-50.9174.1-172.3-169.670.7164.92.5112.7W611 R613 L618 L619W611-R615 WeakPolarHBondContact O-CB 3.32Å; W611-R615 PolarHBondContact O-N 2.95Å; R613-R615 PolarHBondContact O-N 3.34Å; R615-L618 WeakPolarHBondContact O-CB 3.39Å; R615-L618 PolarHBondContact O-N 3.37Å; R615-L619 WeakPolarHBondContact O-CB 3.35Å; R615-L619 PolarHBondContact O-N 3.4Å
616N48.7Very low54.8Low71 Ų7186.7 Ų86.738%0.3844%0.436SS..Hα-helixtrans-67-38.2-177.7-70.6-0.5000111.7I612 R613 L619 Q620I612-N616 WeakPolarHBondContact O-CB 3.44Å; I612-N616 VanDerWaalsContact O-CG 3.24Å; I612-N616 PolarHBondContact O-N 3.24Å; I612-N616 PolarHBondContact O-OD1 2.93Å; R613-N616 PolarHBondContact O-N 2.94Å; N616-L619 PolarHBondContact O-N 3.25Å; N616-Q620 WeakPolarHBondContact O-CB 3.24Å; N616-Q620 PolarHBondContact O-N 3.14Å
617R57.3Low55Low145 Ų14590.6 Ų90.655%0.54745%0.453SS..Hα-helixtrans-64.9-43.7173.1-17080.9176.2-1632.5111D254 R613 L619 Q620 I621D254-R617 IonicContact OD1-NH1 2.97Å; D254-R617 PolarHBondContact OD1-NH1 2.92Å; R613-R617 WeakPolarHBondContact O-CB 3.4Å; R613-R617 PolarHBondContact O-N 3.11Å; R617-L619 VanDerWaalsContact C-N 3.33Å; R617-Q620 PolarHBondContact O-N 3.1Å; R617-I621 HydrophobicContact CG-CD1 4Å; R617-I621 WeakPolarHBondContact O-CB 3.45Å; R617-I621 WeakPolarHBondContact O-CD1 3.34Å; R617-I621 WeakPolarHBondContact O-CG1 3.46Å; R617-I621 PolarHBondContact O-N 3.22Å
618L58.6Low55.1Low97 Ų9793.2 Ų93.251%0.50847%0.472SS..Hα-helixtrans-59.7-43.9172.7-99.1153.6000111.6M614 R615 I621 L622M614-L618 HydrophobicContact CG-CD1 4.47Å; M614-L618 WeakPolarHBondContact O-CB 3.3Å; M614-L618 PolarHBondContact O-N 3.22Å; R615-L618 WeakPolarHBondContact O-CB 3.39Å; R615-L618 PolarHBondContact O-N 3.37Å; L618-I621 PolarHBondContact O-N 3.05Å; L618-L622 WeakPolarHBondContact O-CB 3.09Å; L618-L622 WeakPolarHBondContact O-CG 3.37Å; L618-L622 PolarHBondContact O-N 3.38Å
619L59.7Low55.5Low107 Ų10796.6 Ų96.656%0.5648%0.483SS*.Hα-helixtrans-65.4-40.7178.8-150.396.7000111.2R615 N616 R617 L622 V623R615-L619 WeakPolarHBondContact O-CB 3.35Å; R615-L619 PolarHBondContact O-N 3.4Å; N616-L619 PolarHBondContact O-N 3.25Å; R617-L619 VanDerWaalsContact C-N 3.33Å; L619-L622 CarbonylContact O-C 3.56Å; L619-L622 WeakPolarHBondContact O-CB 2.95Å; L619-L622 PolarHBondContact O-N 3.26Å; L619-V623 VanDerWaalsContact O-CG2 3.28Å; L619-V623 WeakPolarHBondContact O-CG2 3.44Å; L619-V623 PolarHBondContact O-N 3.5Å
620Q50.4Low56.2Low84 Ų8499.6 Ų99.639%0.39349%0.488SS..Hα-helixtrans-69.6-42.2177.2-171.3164.2-700111.7N616 R617 L622 V623 D624N616-Q620 WeakPolarHBondContact O-CB 3.24Å; N616-Q620 PolarHBondContact O-N 3.14Å; R617-Q620 PolarHBondContact O-N 3.1Å; Q620-L622 PolarHBondContact O-N 2.78Å; Q620-V623 CarbonylContact O-C 3.58Å; Q620-V623 PolarHBondContact O-N 2.76Å; Q620-V623 VanDerWaalsContact O-N 3.13Å; Q620-D624 WeakPolarHBondContact O-CB 3.48Å; Q620-D624 PolarHBondContact O-N 3.31Å
621I63.4Low56.5Low79 Ų7997.9 Ų97.941%0.40548%0.48SS..Hα-helixtrans-58.2-41170.4-70.6165.2000110.1R617 L618 D624 I625R617-I621 HydrophobicContact CG-CD1 4Å; R617-I621 WeakPolarHBondContact O-CB 3.45Å; R617-I621 WeakPolarHBondContact O-CD1 3.34Å; R617-I621 WeakPolarHBondContact O-CG1 3.46Å; R617-I621 PolarHBondContact O-N 3.22Å; L618-I621 PolarHBondContact O-N 3.05Å; I621-D624 PolarHBondContact O-N 3.18Å; I621-I625 HydrophobicContact CG2-CD1 3.55Å; I621-I625 HydrophobicContact CG2-CG1 4.25Å; I621-I625 WeakPolarHBondContact O-CB 3.36Å; I621-I625 WeakPolarHBondContact O-CD1 3.23Å; I621-I625 WeakPolarHBondContact O-CG1 3.31Å; I621-I625 PolarHBondContact O-N 2.81Å
622L64.2Low56.7Low108 Ų10892.1 Ų92.157%0.56546%0.462SS*.Hα-helixtrans-64.9-39.5175-85.6161.2000112.8L618 L619 Q620 G626L618-L622 WeakPolarHBondContact O-CB 3.09Å; L618-L622 WeakPolarHBondContact O-CG 3.37Å; L618-L622 PolarHBondContact O-N 3.38Å; L619-L622 CarbonylContact O-C 3.56Å; L619-L622 WeakPolarHBondContact O-CB 2.95Å; L619-L622 PolarHBondContact O-N 3.26Å; Q620-L622 PolarHBondContact O-N 2.78Å; L622-G626 PolarHBondContact O-N 2.92Å
623V63.2Low57.1Low71 Ų7194.6 Ų94.643%0.4348%0.48SS..Hα-helixtrans-69.9-41.8176.4168.60000111L619 Q620 G626 H627L619-V623 VanDerWaalsContact O-CG2 3.28Å; L619-V623 WeakPolarHBondContact O-CG2 3.44Å; L619-V623 PolarHBondContact O-N 3.5Å; Q620-V623 CarbonylContact O-C 3.58Å; Q620-V623 PolarHBondContact O-N 2.76Å; Q620-V623 VanDerWaalsContact O-N 3.13Å; V623-G626 CarbonylContact O-C 3.55Å; V623-G626 WeakPolarHBondContact O-CA 3.03Å; V623-G626 PolarHBondContact O-N 3.01Å; V623-G626 VanDerWaalsContact O-N 3.11Å; V623-H627 PolarHBondContact O-CD2 3.18Å; V623-H627 PolarHBondContact O-N 3.48Å
624D57.9Low57.5Low88 Ų8897.1 Ų97.147%0.47150%0.497SS..Hα-helixtrans-67.8-40.1176.9-68.9-18.1000110.7Q620 I621 G626 H627 S628Q620-D624 WeakPolarHBondContact O-CB 3.48Å; Q620-D624 PolarHBondContact O-N 3.31Å; I621-D624 PolarHBondContact O-N 3.18Å; D624-G626 VanDerWaalsContact C-N 3.3Å; D624-H627 PolarHBondContact O-N 3.19Å; D624-S628 WeakPolarHBondContact O-CB 3.35Å; D624-S628 PolarHBondContact O-N 3.44Å
625I63.7Low57.8Low89 Ų8998 Ų9846%0.45650%0.5SS..Hα-helixtrans-62.8-40.8168.6-70.6166000109.5I621 S628 M629I621-I625 HydrophobicContact CG2-CD1 3.55Å; I621-I625 HydrophobicContact CG2-CG1 4.25Å; I621-I625 WeakPolarHBondContact O-CB 3.36Å; I621-I625 WeakPolarHBondContact O-CD1 3.23Å; I621-I625 WeakPolarHBondContact O-CG1 3.31Å; I621-I625 PolarHBondContact O-N 2.81Å; I625-S628 PolarHBondContact O-N 3.17Å; I625-M629 HydrophobicContact CG2-CG 4.01Å; I625-M629 WeakPolarHBondContact O-CB 3.42Å; I625-M629 WeakPolarHBondContact O-CG 3.3Å; I625-M629 PolarHBondContact O-N 3.47Å
626G62.1Low57.6Low37 Ų3796.7 Ų96.738%0.38151%0.51SS..Hα-helixtrans-61-46.217700000112.6L622 V623 D624 M629 F630L622-G626 PolarHBondContact O-N 2.92Å; V623-G626 CarbonylContact O-C 3.55Å; V623-G626 WeakPolarHBondContact O-CA 3.03Å; V623-G626 PolarHBondContact O-N 3.01Å; V623-G626 VanDerWaalsContact O-N 3.11Å; D624-G626 VanDerWaalsContact C-N 3.3Å; G626-M629 PolarHBondContact O-N 3.49Å; G626-F630 WeakPolarHBondContact O-CB 3.47Å; G626-F630 PolarHBondContact O-N 2.69Å
627H57Low57.9Low114 Ų114100 Ų10053%0.52853%0.528SS..Hα-helixtrans-67-45174.6-85.2-63.9000111.8V623 D624 M629 F630 D631V623-H627 PolarHBondContact O-CD2 3.18Å; V623-H627 PolarHBondContact O-N 3.48Å; D624-H627 PolarHBondContact O-N 3.19Å; H627-M629 VanDerWaalsContact C-N 3.27Å; H627-M629 PolarHBondContact O-N 2.89Å; H627-F630 WeakPolarHBondContact O-CB 2.79Å; H627-F630 PolarHBondContact O-N 3.31Å; H627-F630 VanDerWaalsContact O-N 3.14Å; H627-D631 PolarHBondContact O-N 2.71Å
628S54.5Low57.6Low73 Ų7394 Ų9451%0.5151%0.508SS..Hα-helixtrans-60.7-38.7175.4-1800000111.3D624 I625 L632D624-S628 WeakPolarHBondContact O-CB 3.35Å; D624-S628 PolarHBondContact O-N 3.44Å; I625-S628 PolarHBondContact O-N 3.17Å; S628-L632 WeakPolarHBondContact O-CB 3.41Å; S628-L632 PolarHBondContact O-N 3.2Å
629M55.6Low57.6Low103 Ų10397 Ų9751%0.50752%0.517SS..Hα-helixtrans-69.2-38.3174.8-75-71-70.200111.7I625 G626 H627 L632 V633I625-M629 HydrophobicContact CG2-CG 4.01Å; I625-M629 WeakPolarHBondContact O-CB 3.42Å; I625-M629 WeakPolarHBondContact O-CG 3.3Å; I625-M629 PolarHBondContact O-N 3.47Å; G626-M629 PolarHBondContact O-N 3.49Å; H627-M629 VanDerWaalsContact C-N 3.27Å; H627-M629 PolarHBondContact O-N 2.89Å; M629-L632 WeakPolarHBondContact O-CB 3.41Å; M629-L632 PolarHBondContact O-N 2.9Å; M629-L632 HydrophobicContact SD-CD2 4.17Å; M629-V633 VanDerWaalsContact O-CG2 3.3Å; M629-V633 WeakPolarHBondContact O-CG2 3.07Å; M629-V633 PolarHBondContact O-N 3.02Å
630F62.7Low57.7Low133 Ų13396.6 Ų96.658%0.58352%0.52SS*.Hα-helixtrans-63.4-43.8174.6-173.8-94.9000111.5G626 H627 L632 V633 N634G626-F630 WeakPolarHBondContact O-CB 3.47Å; G626-F630 PolarHBondContact O-N 2.69Å; H627-F630 WeakPolarHBondContact O-CB 2.79Å; H627-F630 PolarHBondContact O-N 3.31Å; H627-F630 VanDerWaalsContact O-N 3.14Å; F630-L632 VanDerWaalsContact C-N 3.34Å; F630-V633 PolarHBondContact O-N 3.37Å; F630-N634 PolarHBondContact O-N 3.42Å; F630-N634 PolarHBondContact O-ND2 3.35Å
631D55.9Low58Low100 Ų10099.3 Ų99.354%0.53553%0.53SS..Hα-helixtrans-67.9-34.6174.1-74.3-16.7000111.8H627 N634H627-D631 PolarHBondContact O-N 2.71Å; D631-N634 PolarHBondContact O-N 2.76Å
632L54.2Low58Low60 Ų6097.8 Ų97.831%0.31453%0.527SS..Hα-helixtrans-63.7-41.3176-158.382.7000111.5S628 M629 F630 N634 H635 A638S628-L632 WeakPolarHBondContact O-CB 3.41Å; S628-L632 PolarHBondContact O-N 3.2Å; M629-L632 WeakPolarHBondContact O-CB 3.41Å; M629-L632 PolarHBondContact O-N 2.9Å; M629-L632 HydrophobicContact SD-CD2 4.17Å; F630-L632 VanDerWaalsContact C-N 3.34Å; L632-N634 PolarHBondContact O-N 2.71Å; L632-H635 PolarHBondContact O-N 2.9Å; L632-A638 HydrophobicContact CD1-CB 4.37Å; L632-A638 HydrophobicContact CD2-CB 4.34Å; L632-A638 HydrophobicContact CG-CB 3.76Å; L632-A638 WeakPolarHBondContact O-CB 3.47Å
633V58.1Low58.4Low114 Ų11494.7 Ų94.769%0.69151%0.514SS*.Hα-helixtrans-64.1-30.6179169.70000111.8M629 F630M629-V633 VanDerWaalsContact O-CG2 3.3Å; M629-V633 WeakPolarHBondContact O-CG2 3.07Å; M629-V633 PolarHBondContact O-N 3.02Å; F630-V633 PolarHBondContact O-N 3.37Å
634N56.3Low58.9Low105 Ų10597.6 Ų97.656%0.56152%0.521SS*.THydrogen-bonded Turntrans-84.8-4.1-177.6-70.2-35.2000114.4F630 D631 L632F630-N634 PolarHBondContact O-N 3.42Å; F630-N634 PolarHBondContact O-ND2 3.35Å; D631-N634 PolarHBondContact O-N 2.76Å; L632-N634 PolarHBondContact O-N 2.71Å
635H54.9Low59.6Low134 Ų13499.9 Ų99.962%0.6253%0.531SS*.SBendtrans-118.1123.3175.2-88.8-64.8000112.7L632 L637 A638L632-H635 PolarHBondContact O-N 2.9Å; H635-L637 PolarHBondContact O-N 2.94Å; H635-L637 VanDerWaalsContact O-N 3.09Å; H635-A638 WeakPolarHBondContact O-CB 3.41Å; H635-A638 PolarHBondContact O-N 3.33Å
636P50.8Low60.3Low119 Ų119100.6 Ų100.677%0.77353%0.534SS*.THydrogen-bonded Turntrans-70.3-12-170.927.7-34.1000114.6A638P636-A638 PolarHBondContact O-N 3.3Å; P636-A638 VanDerWaalsContact O-N 3.15Å
637L54.7Low61.3Low141 Ų141103.2 Ų103.274%0.73854%0.539SS*.THydrogen-bonded Turntrans-67.3-7.7170.7-82122.1000113.2H635 F639 V640H635-L637 PolarHBondContact O-N 2.94Å; H635-L637 VanDerWaalsContact O-N 3.09Å; L637-F639 PolarHBondContact O-N 2.89Å; L637-V640 PolarHBondContact O-N 3.14Å
638A52Low62.6Low17 Ų17101.1 Ų101.114%0.1453%0.531CS..Hα-helixtrans-66.1-15.6176.400000115.4L632 H635 P636 V640 F641 S642L632-A638 HydrophobicContact CD1-CB 4.37Å; L632-A638 HydrophobicContact CD2-CB 4.34Å; L632-A638 HydrophobicContact CG-CB 3.76Å; L632-A638 WeakPolarHBondContact O-CB 3.47Å; H635-A638 WeakPolarHBondContact O-CB 3.41Å; H635-A638 PolarHBondContact O-N 3.33Å; P636-A638 PolarHBondContact O-N 3.3Å; P636-A638 VanDerWaalsContact O-N 3.15Å; A638-V640 PolarHBondContact O-N 3.16Å; A638-F641 PolarHBondContact O-N 3.41Å; A638-S642 WeakPolarHBondContact O-CB 3.29Å; A638-S642 PolarHBondContact O-N 3.49Å; A638-S642 PolarHBondContact O-OG 3.16Å
639F57.8Low63.9Low160 Ų16099.4 Ų99.470%0.70253%0.525SS*.Hα-helixtrans-60.2-32176.6-173.7-97.9000112.3L637 S642 S643L637-F639 PolarHBondContact O-N 2.89Å; F639-S642 PolarHBondContact O-OG 2.81Å; F639-S643 WeakPolarHBondContact O-CB 3.44Å; F639-S643 PolarHBondContact O-N 3.3Å; F639-S643 PolarHBondContact O-OG 3.04Å
640V61.7Low65.5Low100 Ų10099.8 Ų99.861%0.60653%0.528SS*.Hα-helixtrans-73.7-43.6-179.6-178.20000111.2L637 A638 F644L637-V640 PolarHBondContact O-N 3.14Å; A638-V640 PolarHBondContact O-N 3.16Å; V640-F644 PolarHBondContact O-N 3.13Å
641F57.9Low66.8Low140 Ų14098.6 Ų98.661%0.61453%0.527SS*.Hα-helixtrans-78.1-33.6-178.5-73.1-72.3000113.2A638 S643 F644 M645A638-F641 PolarHBondContact O-N 3.41Å; F641-S643 VanDerWaalsContact C-N 3.29Å; F641-S643 PolarHBondContact O-N 3.3Å; F641-F644 PolarHBondContact O-N 3.19Å; F641-M645 PolarHBondContact O-N 3.3Å
642S63.6Low68.3Low48 Ų4898.3 Ų98.334%0.33653%0.525SS..Hα-helixtrans-62.3-40.8173.4680000110.9A638 F639 F644 M645 I646A638-S642 WeakPolarHBondContact O-CB 3.29Å; A638-S642 PolarHBondContact O-N 3.49Å; A638-S642 PolarHBondContact O-OG 3.16Å; F639-S642 PolarHBondContact O-OG 2.81Å; S642-F644 VanDerWaalsContact C-N 3.33Å; S642-F644 PolarHBondContact O-N 2.9Å; S642-M645 PolarHBondContact O-N 3.41Å; S642-I646 WeakPolarHBondContact O-CB 3.44Å; S642-I646 WeakPolarHBondContact O-CD1 3.38Å; S642-I646 WeakPolarHBondContact O-CG1 2.85Å; S642-I646 PolarHBondContact O-N 3.31Å
643S72.6Confident69.9Low43 Ų43102.3 Ų102.330%0.30154%0.541SS..Hα-helixtrans-59.3-43.7174.3-58.80000111.7F639 F641 I646 I647F639-S643 WeakPolarHBondContact O-CB 3.44Å; F639-S643 PolarHBondContact O-N 3.3Å; F639-S643 PolarHBondContact O-OG 3.04Å; F641-S643 VanDerWaalsContact C-N 3.29Å; F641-S643 PolarHBondContact O-N 3.3Å; S643-I646 PolarHBondContact O-N 3.09Å; S643-I647 WeakPolarHBondContact O-CD1 3.29Å; S643-I647 VanDerWaalsContact O-CG1 3.23Å; S643-I647 WeakPolarHBondContact O-CG1 3.5Å; S643-I647 PolarHBondContact O-N 3.33Å
644F73.6Confident71.2Confident132 Ų132100.1 Ų100.158%0.57953%0.53SS*.Hα-helixtrans-66.6-40.7-179.9-153.7-97.2000112.7V640 F641 S642 I647 I648V640-F644 PolarHBondContact O-N 3.13Å; F641-F644 PolarHBondContact O-N 3.19Å; S642-F644 VanDerWaalsContact C-N 3.33Å; S642-F644 PolarHBondContact O-N 2.9Å; F644-I647 PolarHBondContact O-N 3.05Å; F644-I648 HydrophobicContact CD1-CD1 3.68Å; F644-I648 HydrophobicContact CD1-CG1 4.38Å; F644-I648 HydrophobicContact CE1-CD1 3.65Å; F644-I648 HydrophobicContact CE1-CG1 4.36Å; F644-I648 PolarHBondContact O-N 2.98Å
645M72.5Confident72.8Confident135 Ų135100.6 Ų100.667%0.66553%0.532SS*.Hα-helixtrans-69-35.3176-75.9-64.5176.300112.5F641 S642 I647 I648 G649F641-M645 PolarHBondContact O-N 3.3Å; S642-M645 PolarHBondContact O-N 3.41Å; M645-I647 VanDerWaalsContact C-N 3.33Å; M645-I648 PolarHBondContact O-N 3.42Å; M645-G649 PolarHBondContact O-N 3.12Å
646I76.8Confident74.2Confident105 Ų10598.5 Ų98.554%0.53852%0.524SS..Hα-helixtrans-63-42.3171.9-68.1163.1000110S642 S643 G649 L650S642-I646 WeakPolarHBondContact O-CB 3.44Å; S642-I646 WeakPolarHBondContact O-CD1 3.38Å; S642-I646 WeakPolarHBondContact O-CG1 2.85Å; S642-I646 PolarHBondContact O-N 3.31Å; S643-I646 PolarHBondContact O-N 3.09Å; I646-G649 PolarHBondContact O-N 3.12Å; I646-L650 HydrophobicContact CG2-CD1 3.93Å; I646-L650 HydrophobicContact CG2-CG 4.38Å; I646-L650 WeakPolarHBondContact O-CB 3.18Å; I646-L650 VanDerWaalsContact O-CG 3.23Å; I646-L650 WeakPolarHBondContact O-CG 3.32Å; I646-L650 PolarHBondContact O-N 2.68Å
647I84.2Confident75.7Confident92 Ų9295.3 Ų95.347%0.47251%0.505SS..Hα-helixtrans-63.2-46.7177-67.3161.5000111.3S643 F644 M645 G649 L650 L651S643-I647 WeakPolarHBondContact O-CD1 3.29Å; S643-I647 VanDerWaalsContact O-CG1 3.23Å; S643-I647 WeakPolarHBondContact O-CG1 3.5Å; S643-I647 PolarHBondContact O-N 3.33Å; F644-I647 PolarHBondContact O-N 3.05Å; M645-I647 VanDerWaalsContact C-N 3.33Å; I647-G649 VanDerWaalsContact C-N 3.34Å; I647-G649 PolarHBondContact O-N 3.01Å; I647-L650 PolarHBondContact O-N 2.65Å; I647-L651 HydrophobicContact CG2-CD1 4.12Å; I647-L651 WeakPolarHBondContact O-CG 3.16Å; I647-L651 PolarHBondContact O-N 2.76Å
648I83.3Confident77.1Confident69 Ų6992 Ų9235%0.35449%0.491SS..Hα-helixtrans-61.9-43.1176.2-74.4169.9000110.8F644 M645 L650 L651 L652F644-I648 HydrophobicContact CD1-CD1 3.68Å; F644-I648 HydrophobicContact CD1-CG1 4.38Å; F644-I648 HydrophobicContact CE1-CD1 3.65Å; F644-I648 HydrophobicContact CE1-CG1 4.36Å; F644-I648 PolarHBondContact O-N 2.98Å; M645-I648 PolarHBondContact O-N 3.42Å; I648-L650 VanDerWaalsContact C-N 3.34Å; I648-L650 PolarHBondContact O-N 3.13Å; I648-L651 PolarHBondContact O-N 2.87Å; I648-L652 HydrophobicContact CG2-CD1 4.12Å; I648-L652 WeakPolarHBondContact O-CB 3.49Å; I648-L652 PolarHBondContact O-N 3.39Å
649G83.1Confident78.4Confident38 Ų3897 Ų9739%0.39252%0.515SS..Hα-helixtrans-60.9-42177.200000112.4M645 I646 I647 L652 F653M645-G649 PolarHBondContact O-N 3.12Å; I646-G649 PolarHBondContact O-N 3.12Å; I647-G649 VanDerWaalsContact C-N 3.34Å; I647-G649 PolarHBondContact O-N 3.01Å; G649-L652 PolarHBondContact O-N 2.95Å; G649-F653 VanDerWaalsContact O-CB 3.28Å; G649-F653 WeakPolarHBondContact O-CB 3.33Å; G649-F653 PolarHBondContact O-N 3.45Å
650L88.3Confident79.4Confident111 Ų11193.6 Ų93.658%0.58150%0.503SS*.Hα-helixtrans-66.9-38.1175-70.9171.1000112.2I646 I647 I648 S654I646-L650 HydrophobicContact CG2-CD1 3.93Å; I646-L650 HydrophobicContact CG2-CG 4.38Å; I646-L650 WeakPolarHBondContact O-CB 3.18Å; I646-L650 VanDerWaalsContact O-CG 3.23Å; I646-L650 WeakPolarHBondContact O-CG 3.32Å; I646-L650 PolarHBondContact O-N 2.68Å; I647-L650 PolarHBondContact O-N 2.65Å; I648-L650 VanDerWaalsContact C-N 3.34Å; I648-L650 PolarHBondContact O-N 3.13Å; L650-S654 VanDerWaalsContact O-CB 3.28Å; L650-S654 WeakPolarHBondContact O-CB 3.45Å; L650-S654 PolarHBondContact O-N 2.79Å
651L89.8Confident80.1Confident107 Ų10794.7 Ų94.756%0.5650%0.501SS*.Hα-helixtrans-66.3-42.8174.4-76.3171.1000112I647 I648 S654 L655I647-L651 HydrophobicContact CG2-CD1 4.12Å; I647-L651 WeakPolarHBondContact O-CG 3.16Å; I647-L651 PolarHBondContact O-N 2.76Å; I648-L651 PolarHBondContact O-N 2.87Å; L651-S654 WeakPolarHBondContact O-CB 3.36Å; L651-S654 PolarHBondContact O-N 3.47Å; L651-L655 WeakPolarHBondContact O-CB 3.35Å; L651-L655 PolarHBondContact O-N 3.46Å
652L87.9Confident81Confident95 Ų9590.8 Ų90.850%0.49750%0.495SS..Hα-helixtrans-65.1-43175.4-107.9153.2000111.4I648 G649 S654 L655 I656I648-L652 HydrophobicContact CG2-CD1 4.12Å; I648-L652 WeakPolarHBondContact O-CB 3.49Å; I648-L652 PolarHBondContact O-N 3.39Å; G649-L652 PolarHBondContact O-N 2.95Å; L652-S654 VanDerWaalsContact C-N 3.35Å; L652-L655 PolarHBondContact O-N 3.33Å; L652-I656 HydrophobicContact CD2-CD1 4.22Å; L652-I656 WeakPolarHBondContact O-CB 3.26Å; L652-I656 WeakPolarHBondContact O-CD1 3.25Å; L652-I656 VanDerWaalsContact O-CG1 3.24Å; L652-I656 WeakPolarHBondContact O-CG1 3.36Å; L652-I656 PolarHBondContact O-N 3.19Å
653F87.1Confident81.5Confident144 Ų14492 Ų9263%0.63250%0.5SS*.Hα-helixtrans-62.7-42.6175.1-177.1-97.4000111.6G649 I656 S657G649-F653 VanDerWaalsContact O-CB 3.28Å; G649-F653 WeakPolarHBondContact O-CB 3.33Å; G649-F653 PolarHBondContact O-N 3.45Å; F653-I656 PolarHBondContact O-N 3.05Å; F653-S657 VanDerWaalsContact O-CB 3.26Å; F653-S657 WeakPolarHBondContact O-CB 3.41Å; F653-S657 PolarHBondContact O-N 2.95Å
654S86.8Confident81.5Confident67 Ų6796.6 Ų96.647%0.46952%0.515SS..Hα-helixtrans-59-49.1173.5177.30000111.3L650 L651 L652 I656 S657 T658L650-S654 VanDerWaalsContact O-CB 3.28Å; L650-S654 WeakPolarHBondContact O-CB 3.45Å; L650-S654 PolarHBondContact O-N 2.79Å; L651-S654 WeakPolarHBondContact O-CB 3.36Å; L651-S654 PolarHBondContact O-N 3.47Å; L652-S654 VanDerWaalsContact C-N 3.35Å; S654-I656 PolarHBondContact O-N 2.88Å; S654-S657 PolarHBondContact O-N 3.47Å; S654-T658 WeakPolarHBondContact O-CG2 3.29Å; S654-T658 PolarHBondContact O-N 3.11Å; S654-T658 PolarHBondContact O-OG1 3.3Å
655L88.9Confident81Confident116 Ų11695 Ų9561%0.60751%0.513SS*.Hα-helixtrans-58.4-47.8176.6-93.9162.2000112.2L651 L652 S657 T658 L659L651-L655 WeakPolarHBondContact O-CB 3.35Å; L651-L655 PolarHBondContact O-N 3.46Å; L652-L655 PolarHBondContact O-N 3.33Å; L655-S657 PolarHBondContact O-N 3.2Å; L655-T658 WeakPolarHBondContact CA-OG1 3.32Å; L655-T658 PolarHBondContact O-N 3.36Å; L655-T658 PolarHBondContact O-OG1 3.19Å; L655-L659 PolarHBondContact O-N 3Å
656I85.6Confident80.5Confident89 Ų8994.6 Ų94.646%0.45651%0.509SS..Hα-helixtrans-63.5-43.2178.5-68.2162.6000110.7L652 F653 S654 T658 L659 I660L652-I656 HydrophobicContact CD2-CD1 4.22Å; L652-I656 WeakPolarHBondContact O-CB 3.26Å; L652-I656 WeakPolarHBondContact O-CD1 3.25Å; L652-I656 VanDerWaalsContact O-CG1 3.24Å; L652-I656 WeakPolarHBondContact O-CG1 3.36Å; L652-I656 PolarHBondContact O-N 3.19Å; F653-I656 PolarHBondContact O-N 3.05Å; S654-I656 PolarHBondContact O-N 2.88Å; I656-T658 VanDerWaalsContact C-N 3.32Å; I656-T658 PolarHBondContact O-N 3.05Å; I656-L659 WeakPolarHBondContact O-CB 3.35Å; I656-L659 PolarHBondContact O-N 2.98Å; I656-L659 VanDerWaalsContact O-N 3.17Å; I656-I660 HydrophobicContact CG2-CD1 3.83Å; I656-I660 HydrophobicContact CG2-CG1 4.46Å; I656-I660 WeakPolarHBondContact O-CG1 3.39Å; I656-I660 PolarHBondContact O-N 3.35Å
657S82.5Confident79.5Confident53 Ų5396.6 Ų96.637%0.37152%0.516SS..Hα-helixtrans-64.5-37178.6-163.50000111.7F653 S654 L655 I660 Q661F653-S657 VanDerWaalsContact O-CB 3.26Å; F653-S657 WeakPolarHBondContact O-CB 3.41Å; F653-S657 PolarHBondContact O-N 2.95Å; S654-S657 PolarHBondContact O-N 3.47Å; L655-S657 PolarHBondContact O-N 3.2Å; S657-I660 PolarHBondContact O-N 3.35Å; S657-Q661 PolarHBondContact O-N 3.1Å
658T82.6Confident77.9Confident71 Ų7199.6 Ų99.644%0.43653%0.525SS..Hα-helixtrans-67.1-37.5172.659.20000112.4S654 L655 I656 Q661 A662S654-T658 WeakPolarHBondContact O-CG2 3.29Å; S654-T658 PolarHBondContact O-N 3.11Å; S654-T658 PolarHBondContact O-OG1 3.3Å; L655-T658 WeakPolarHBondContact CA-OG1 3.32Å; L655-T658 PolarHBondContact O-N 3.36Å; L655-T658 PolarHBondContact O-OG1 3.19Å; I656-T658 VanDerWaalsContact C-N 3.32Å; I656-T658 PolarHBondContact O-N 3.05Å; T658-Q661 PolarHBondContact O-N 3.17Å; T658-A662 WeakPolarHBondContact O-CB 3.44Å; T658-A662 PolarHBondContact O-N 3.45Å
659L78.8Confident76.3Confident123 Ų123101.5 Ų101.564%0.64454%0.536SS*.Hα-helixtrans-64.4-41.1175.6-155.194.7000111.4L655 I656 A662 T663L655-L659 PolarHBondContact O-N 3Å; I656-L659 WeakPolarHBondContact O-CB 3.35Å; I656-L659 PolarHBondContact O-N 2.98Å; I656-L659 VanDerWaalsContact O-N 3.17Å; L659-A662 PolarHBondContact O-N 2.74Å; L659-T663 WeakPolarHBondContact O-CG2 3.16Å; L659-T663 PolarHBondContact O-N 3.3Å; L659-T663 PolarHBondContact O-OG1 2.76Å
660I80.1Confident74.4Confident87 Ų87106.7 Ų106.745%0.44655%0.548SS..Hα-helixtrans-67.2-36.9175.7-65166.4000111I656 S657 T663 K664I656-I660 HydrophobicContact CG2-CD1 3.83Å; I656-I660 HydrophobicContact CG2-CG1 4.46Å; I656-I660 WeakPolarHBondContact O-CG1 3.39Å; I656-I660 PolarHBondContact O-N 3.35Å; S657-I660 PolarHBondContact O-N 3.35Å; I660-T663 WeakPolarHBondContact CA-OG1 3.27Å; I660-T663 PolarHBondContact O-OG1 2.94Å; I660-K664 WeakPolarHBondContact O-CG 3.45Å; I660-K664 PolarHBondContact O-N 3.03Å; I660-K664 VanDerWaalsContact O-N 3.12Å
661Q76.2Confident72.1Confident124 Ų124106 Ų10658%0.57955%0.552SS**Hα-helixtrans-68.5-39.4173.6-102.1176.8-10.800112.5S657 T658 K664 N665S657-Q661 PolarHBondContact O-N 3.1Å; T658-Q661 PolarHBondContact O-N 3.17Å; Q661-K664 PolarHBondContact O-N 2.93Å; Q661-N665 PolarHBondContact O-N 2.85Å
662A76.2Confident69.7Low58 Ų58105 Ų10548%0.47955%0.55SS.*Hα-helixtrans-61.1-46176.400000111T658 L659 K664 N665 E666T658-A662 WeakPolarHBondContact O-CB 3.44Å; T658-A662 PolarHBondContact O-N 3.45Å; L659-A662 PolarHBondContact O-N 2.74Å; A662-K664 PolarHBondContact O-N 3.38Å; A662-N665 PolarHBondContact O-N 2.88Å; A662-E666 PolarHBondContact O-N 3.13Å
663T73.6Confident67.2Low72 Ų72104.9 Ų104.944%0.44255%0.553SS.*Hα-helixtrans-65.2-37.7177.654.50000112.6L659 I660 E666 Q667L659-T663 WeakPolarHBondContact O-CG2 3.16Å; L659-T663 PolarHBondContact O-N 3.3Å; L659-T663 PolarHBondContact O-OG1 2.76Å; I660-T663 WeakPolarHBondContact CA-OG1 3.27Å; I660-T663 PolarHBondContact O-OG1 2.94Å; T663-E666 PolarHBondContact O-N 3.16Å; T663-Q667 PolarHBondContact O-N 2.6Å; T663-Q667 VanDerWaalsContact O-N 3.11Å
664K73.1Confident64.7Low140 Ų140106.1 Ų106.161%0.60956%0.561SS**Hα-helixtrans-64.5-40.5173.1-79.6-176.7177.6-179.20112.8I660 Q661 A662 E666 Q667 K668I660-K664 WeakPolarHBondContact O-CG 3.45Å; I660-K664 PolarHBondContact O-N 3.03Å; I660-K664 VanDerWaalsContact O-N 3.12Å; Q661-K664 PolarHBondContact O-N 2.93Å; A662-K664 PolarHBondContact O-N 3.38Å; K664-E666 VanDerWaalsContact C-N 3.35Å; K664-Q667 PolarHBondContact O-N 2.95Å; K664-K668 PolarHBondContact O-N 3.32Å
665N64.3Low62Low100 Ų100111.8 Ų111.854%0.53558%0.577SS.*Hα-helixtrans-69-35176.9-78.6-11.2000112Q661 A662 Q667 K668 N669Q661-N665 PolarHBondContact O-N 2.85Å; A662-N665 PolarHBondContact O-N 2.88Å; N665-Q667 VanDerWaalsContact C-N 3.33Å; N665-Q667 PolarHBondContact O-N 2.96Å; N665-K668 PolarHBondContact O-N 3.03Å; N665-N669 PolarHBondContact O-N 3.45Å
666E62.2Low59.2Low125 Ų125114.2 Ų114.258%0.58459%0.585SS**Hα-helixtrans-63.4-39.9174.6-137.4-179-178.100111.7A662 T663 K664 K670A662-E666 PolarHBondContact O-N 3.13Å; T663-E666 PolarHBondContact O-N 3.16Å; K664-E666 VanDerWaalsContact C-N 3.35Å; E666-K670 PolarHBondContact O-N 3.42Å; E666-K670 VanDerWaalsContact O-N 3.1Å
667Q54.4Low56.4Low147 Ų147120 Ų12069%0.68760%0.602SS**Hα-helixtrans-67.2-38.1172.8-74-172.5-16.300112.4T663 K664 N665 K670 C671T663-Q667 PolarHBondContact O-N 2.6Å; T663-Q667 VanDerWaalsContact O-N 3.11Å; K664-Q667 PolarHBondContact O-N 2.95Å; N665-Q667 VanDerWaalsContact C-N 3.33Å; N665-Q667 PolarHBondContact O-N 2.96Å; Q667-K670 PolarHBondContact O-N 3.15Å; Q667-C671 PolarHBondContact O-N 3.17Å; Q667-C671 VanDerWaalsContact O-N 3.16Å
668K51.9Low53.6Low155 Ų155124.6 Ų124.667%0.67462%0.623SS**Hα-helixtrans-68.1-36.1178.6-142.1176.6-174.6-177.70112.2K664 N665 C671 T672K664-K668 PolarHBondContact O-N 3.32Å; N665-K668 PolarHBondContact O-N 3.03Å; K668-C671 PolarHBondContact O-N 3.12Å; K668-T672 PolarHBondContact O-N 3.48Å
669N49.9Very low51Low109 Ų109129.8 Ų129.858%0.58364%0.642SS**Hα-helixtrans-72.6-28.1175.1-76.2-6.2000113N665 T672 T673N665-N669 PolarHBondContact O-N 3.45Å; N669-T672 PolarHBondContact O-OG1 3.01Å; N669-T673 PolarHBondContact O-N 3.41Å; N669-T673 PolarHBondContact O-OG1 2.53Å
670K41.9Very low48.5Very low148 Ų148129.3 Ų129.364%0.64365%0.645SS**Hα-helixtrans-70.1-31169.9-79.2-178.6176.5176.10112.6E666 Q667 T673E666-K670 PolarHBondContact O-N 3.42Å; E666-K670 VanDerWaalsContact O-N 3.1Å; Q667-K670 PolarHBondContact O-N 3.15Å; K670-T673 WeakPolarHBondContact CA-OG1 3.39Å; K670-T673 PolarHBondContact O-OG1 2.98Å
671C39.6Very low45.8Very low96 Ų96133.4 Ų133.465%0.64967%0.668SS**Hα-helixtrans-77.4-19.5175.3-105.60000114.7Q667 K668Q667-C671 PolarHBondContact O-N 3.17Å; Q667-C671 VanDerWaalsContact O-N 3.16Å; K668-C671 PolarHBondContact O-N 3.12Å
672T40.1Very low43.4Very low87 Ų87136.2 Ų136.253%0.53468%0.681SS.*Hα-helixtrans-89.8-17175.551.90000113.5K668 N669K668-T672 PolarHBondContact O-N 3.48Å; N669-T672 PolarHBondContact O-OG1 3.01Å
673T36.1Very low40.9Very low91 Ų91136.7 Ų136.756%0.55869%0.691SS**Hα-helixtrans-80.4-15.717930.40000113.8N669 K670N669-T673 PolarHBondContact O-N 3.41Å; N669-T673 PolarHBondContact O-OG1 2.53Å; K670-T673 WeakPolarHBondContact CA-OG1 3.39Å; K670-T673 PolarHBondContact O-OG1 2.98Å
674E33.5Very low38.7Very low170 Ų170139.3 Ų139.379%0.79471%0.707SS**THydrogen-bonded Turntrans-86.2-0.6176.2-74-170.6163.200115.1
675K30.6Very low36.2Very low186 Ų186139.1 Ų139.181%0.80971%0.712SS**THydrogen-bonded Turntrans-109.24-179.8-79.6-171175.9-1780116.3
676H30Very low34.4Very low167 Ų167140.8 Ų140.877%0.77373%0.726SS**  trans-120.215.2-177.3-92.4-72.4000115.7N678H676-N678 VanDerWaalsContact C-N 3.29Å; H676-N678 PolarHBondContact O-N 3.41Å
677Y26.8Very low32.7Very low210 Ų210139.5 Ų139.582%0.82473%0.731SS**SBendtrans-91.164.2164.3-84.7-83.1000110.3
678N24.6Very low31.2Very low151 Ų151140.5 Ų140.581%0.80774%0.74SS**SBendtrans-175.381161.9-87.9-25.4000106.9H676H676-N678 VanDerWaalsContact C-N 3.29Å; H676-N678 PolarHBondContact O-N 3.41Å
679E27.3Very low30Very low179 Ų179139 Ų13984%0.83675%0.75SS**SBendtrans174.2132.8136.7-95.3166.1-170.800111.5
680T27Very low28.7Very low113 Ų113138.6 Ų138.669%0.69376%0.755SS**  trans70.683.114656.90000120Q682T680-Q682 PolarHBondContact O-N 3.38Å; T680-Q682 VanDerWaalsContact O-N 3.14Å
681N22.2Very low28Very low174 Ų174138.5 Ų138.593%0.9376%0.762SS**  trans-52.498.4135.6-83.4-29.3000111.6
682Q26.6Very low27.2Very low183 Ų183138.2 Ų138.286%0.85576%0.761SS**  trans-156125.5153.9-64.8-172.6-8.800104.6T680T680-Q682 PolarHBondContact O-N 3.38Å; T680-Q682 VanDerWaalsContact O-N 3.14Å
683G24.4Very low26.4Very low67 Ų67140.7 Ų140.769%0.69177%0.771SS**  cis134.4125.128.600000106.5
684V25.4Very low25.8Very low128 Ų128142.9 Ų142.978%0.77678%0.778SS**  trans78.3101.4147.5-169.90000119.6
685N22.2Very low25.3Very low135 Ų135141.5 Ų141.572%0.72278%0.776SS**  52.9154.4119.4-52.5-17.2000123.6
686T25.8Very low25.1Very low135 Ų135138.4 Ų138.483%0.82877%0.768SS**  trans82141161.169.60000114.9
687S25.9Very low25Very low99 Ų99138.6 Ų138.669%0.69277%0.767SS**  cis-169.3135.1728.90000107.5
688L22.9Very low24.8Very low167 Ų167135.7 Ų135.787%0.87477%0.765SS**  47.7112.1114.5-89.2134000117
689S27Very low25Very low125 Ų125135.8 Ų135.887%0.87477%0.766SS**  trans-168.4130.6130.133.50000112.2
690S22.1Very low24.9Very low100 Ų100133.6 Ų133.670%0.69976%0.76SS**  trans-92.5150.9176.741.50000111.5
691N27.1Very low25Very low146 Ų146135.4 Ų135.478%0.78177%0.766SS**  trans-177.5117.1144.3-98-22.1000107.2
692S23.9Very low25.2Very low90 Ų90135 Ų13563%0.62976%0.763SS**  53.7133.273.994.10000110.7
693N22.6Very low25.3Very low138 Ų138131.7 Ų131.774%0.73876%0.761SS**  cis179.3172.810-128.1-9.2000106
694I24.8Very low25.3Very low138 Ų138134.6 Ų134.671%0.70877%0.77SS**  trans81.3102.2153.2-63.6152.9000116.1
695N23.2Very low25.3Very low140 Ų140133.5 Ų133.575%0.74977%0.768SS**  63.1118.195.4-73.1-14.2000114.5
696D26Very low25.5Very low122 Ų122132.9 Ų132.965%0.65278%0.775SS**  171.7141.1114-100.7-7.5000114.3
697K26.5Very low25.6Very low170 Ų170135.5 Ų135.574%0.73978%0.777SS**  trans75.399.2142.1-69.2167.3-177.8130.10120.8
698N22.5Very low25.4Very low149 Ų149136.9 Ų136.980%0.79779%0.785SS**  9.7124120.8-81.2-10.7000117.2
699N28.8Very low25.3Very low154 Ų154140.8 Ų140.882%0.82479%0.788SS**  trans-144.6119.6137.8-138.7-0.2000111.2
700N25.4Very low25.4Very low132 Ų132142 Ų14271%0.70678%0.784SS**  trans-73127.3175.2-75.8-33000109.5
701N30.4Very low25.6Very low152 Ų152143 Ų14381%0.81379%0.788SS**  trans-125.3103160.8-82.8-23.2000109.1S703N701-S703 PolarHBondContact O-N 3.45Å
702N25.2Very low25.5Very low165 Ų165145.7 Ų145.788%0.88280%0.796SS**  trans-67.3117.8167.6-72.9-27.2000109.1
703S28.8Very low25.8Very low114 Ų114144.2 Ų144.280%0.79779%0.794SS**  trans-120.2105.6160.453.90000109.1N701 S705N701-S703 PolarHBondContact O-N 3.45Å; S703-S705 PolarHBondContact O-N 3.43Å
704S24.1Very low26.2Very low127 Ų127143.4 Ų143.489%0.88880%0.799SS**  trans-60115.9169490000110.1
705S26.8Very low26.8Very low105 Ų105146.1 Ų146.173%0.73481%0.807SS**  trans-130.3133159.467.30000110S703 Q707S703-S705 PolarHBondContact O-N 3.43Å; S705-Q707 PolarHBondContact O-N 3.44Å
706S25.5Very low27.6Very low123 Ų123143.9 Ų143.986%0.8681%0.807SS**  trans-51.9118.9-173.248.10000114.1
707Q27.7Very low28.8Very low189 Ų189143.9 Ų143.988%0.88381%0.807SS**  trans-113.4127.8164.2-79.6-178.4-18.200110.5S705S705-Q707 PolarHBondContact O-N 3.44Å
708C21.7Very low30.5Very low128 Ų128138.2 Ų138.287%0.86579%0.787SS**  trans-53.1130.6178-78.70000112.5I710C708-I710 PolarHBondContact O-N 3.12Å
709R21Very low33.1Very low249 Ų249135.9 Ų135.994%0.9478%0.78SS**  trans-71118.7170.1-68.1176.7176.1172-2.8109.7
710I28.2Very low35.7Very low151 Ų151131 Ų13177%0.77475%0.753SS**  trans-107.1141.5162.4-63.7173.8000106.9C708C708-I710 PolarHBondContact O-N 3.12Å
711P27.1Very low38.6Very low121 Ų121126.8 Ų126.879%0.78673%0.732SS**  trans-67.5143-161.9-16.830.8000114.2G713P711-G713 PolarHBondContact O-N 2.86Å; P711-G713 VanDerWaalsContact O-N 3.1Å
712E25.4Very low41.2Very low203 Ų203122.4 Ų122.495%0.94971%0.713SS**  trans-64.297.7176.1-65.4169.2168.500111.3
713G29.7Very low44.1Very low58 Ų58114.6 Ų114.660%0.59867%0.671SS**  trans-129.182.115800000106.9P711 F715P711-G713 PolarHBondContact O-N 2.86Å; P711-G713 VanDerWaalsContact O-N 3.1Å; G713-F715 PolarHBondContact O-N 3.04Å
714S31.5Very low46.8Very low121 Ų121111.1 Ų111.185%0.84664%0.644SS**  trans-68.272.2-172.458.20000112.3A716S714-A716 PolarHBondContact O-N 3.36Å
715F37.6Very low49.5Very low195 Ų195107.6 Ų107.686%0.85562%0.618SS**  trans-73.3100.4150.4-68.8-79000105.6G713 L717G713-F715 PolarHBondContact O-N 3.04Å; F715-L717 PolarHBondContact O-N 2.99Å
716A39Very low52.1Low93 Ų93107.5 Ų107.577%0.76962%0.618SS**  trans-53.6103.2172.300000108.1S714 T718S714-A716 PolarHBondContact O-N 3.36Å; A716-T718 PolarHBondContact O-N 3.3Å
717L52.7Low55Low122 Ų122103.1 Ų103.164%0.63959%0.586SS**  trans-61.8110-179.6-85.1148.7000107.6F715 R764F715-L717 PolarHBondContact O-N 2.99Å; L717-R764 HydrophobicContact CD2-CG 3.61Å
718T61.8Low57.9Low51 Ų5194.2 Ų94.231%0.31354%0.544SS..PPolyproline II helixtrans-66.8124179.5540000109A716 Q772 R773A716-T718 PolarHBondContact O-N 3.3Å; T718-Q772 VanDerWaalsContact CB-OE1 3.31Å; T718-Q772 PolarHBondContact OG1-OE1 3.43Å; T718-Q772 VanDerWaalsContact OG1-OE1 3.08Å; T718-R773 PolarHBondContact O-NH2 3.12Å
719P77.5Confident60.9Low100 Ų10090.7 Ų90.765%0.64952%0.517SS*.PPolyproline II helixtrans-65.6157.8-179.527.1-34000111V721 Q772P719-V721 PolarHBondContact O-N 2.98Å; P719-Q772 PolarHBondContact O-NE2 2.7Å
720I81.8Confident64Low51 Ų5188.4 Ų88.426%0.26251%0.508SS..PPolyproline II helixtrans-66.7119.4171.4-62.4176.2000108.2F759 D760 R773 C775I720-F759 HydrophobicContact CD1-CD1 4.19Å; I720-D760 HydrophobicContact CD1-CB 3.63Å; I720-R773 HydrophobicContact CG1-CB 4.04Å; I720-C775 HydrophobicContact CG2-CB 4.4Å; I720-C775 VanDerWaalsContact CG2-SG 3.5Å
721V87.2Confident66.7Low45 Ų4582 Ų8227%0.27348%0.475SS..EExtended strand (participates in β ladder)trans-89.1142.9-178.3178.70000109.8P719 T727 L731 R773 A774 C775P719-V721 PolarHBondContact O-N 2.98Å; V721-T727 HydrophobicContact CG1-CG2 3.95Å; V721-L731 HydrophobicContact CG1-CD1 4.21Å; V721-R773 PolarHBondContact N-O 3.17Å; V721-A774 CarbonylContact O-C 3.53Å; V721-A774 WeakPolarHBondContact O-CA 3.34Å; V721-A774 VanDerWaalsContact O-CB 3.23Å; V721-A774 WeakPolarHBondContact O-CB 3.26Å; V721-C775 PolarHBondContact O-N 2.9Å
722S84.9Confident69.7Low60 Ų6076.2 Ų76.242%0.4244%0.437SS..EExtended strand (participates in β ladder)trans-77.3127.7168.755.40000110.3N724 T727S722-N724 PolarHBondContact O-N 3.44Å; S722-N724 PolarHBondContact OG-ND2 3.37Å; S722-T727 PolarHBondContact O-OG1 3.2Å
723L86Confident72.5Confident0 Ų071.2 Ų71.20%041%0.41CS..  trans-79.2102.6172.9-168.961.8000108.6L731 V732 L741 V743 A774 C775 L776 W784 L956L723-L731 HydrophobicContact CD1-CD1 4.21Å; L723-V732 HydrophobicContact CD1-CG2 4.45Å; L723-L741 HydrophobicContact CD1-CD2 4.26Å; L723-L741 HydrophobicContact CD2-CD2 4.45Å; L723-V743 HydrophobicContact CD2-CG1 4.04Å; L723-V743 HydrophobicContact CD2-CG2 4.03Å; L723-A774 HydrophobicContact CB-CB 4.25Å; L723-C775 PolarHBondContact N-O 3.01Å; L723-L776 HydrophobicContact CB-CD1 4.25Å; L723-L776 HydrophobicContact CD2-CD1 4.12Å; L723-L776 HydrophobicContact CG-CD1 4.31Å; L723-W784 HydrophobicContact CD2-CH2 4.47Å; L723-L956 HydrophobicContact CD2-CD1 4.23Å; L723-L956 HydrophobicContact CG-CD1 4.05Å; L723-L956 HydrophobicContact CG-CD2 4.38Å; L723-L956 WeakPolarHBondContact O-CD2 3.4Å
724N86Confident75.1Confident42 Ų4273.4 Ų73.423%0.22541%0.408CS..  trans-127.4168-179.1-60.7-18.3000107.9S722 S726 T727 Y728S722-N724 PolarHBondContact O-N 3.44Å; S722-N724 PolarHBondContact OG-ND2 3.37Å; N724-S726 PolarHBondContact O-N 2.92Å; N724-S726 VanDerWaalsContact O-N 3.09Å; N724-T727 PolarHBondContact N-OG1 3.36Å; N724-T727 PolarHBondContact O-N 2.75Å; N724-T727 PolarHBondContact O-OG1 2.85Å; N724-T727 VanDerWaalsContact O-OG1 3.12Å; N724-Y728 WeakPolarHBondContact O-CB 3.3Å; N724-Y728 PolarHBondContact O-N 2.79Å
725P81.4Confident77.7Confident52 Ų5268 Ų6834%0.33837%0.37SS..Hα-helixtrans-50.6-37.1177.4-30.235.6000114.6T727 Y781 L956 L957P725-T727 PolarHBondContact O-N 2.96Å; P725-Y781 WeakPolarHBondContact CD-OH 3.35Å; P725-Y781 HydrophobicContact CG-CE1 4.43Å; P725-L956 HydrophobicContact CG-CB 4.24Å; P725-L957 HydrophobicContact CG-CD1 3.86Å; P725-L957 HydrophobicContact CG-CG 4.43Å
726S81.4Confident80Confident104 Ų10462.4 Ų62.473%0.72735%0.354SS*.Hα-helixtrans-71.7-23.3178.560.30000115N724N724-S726 PolarHBondContact O-N 2.92Å; N724-S726 VanDerWaalsContact O-N 3.09Å
727T85.7Confident82.1Confident31 Ų3165.2 Ų65.219%0.1935%0.349CS..Hα-helixtrans-100.7-20.5179.356.20000112.5V721 S722 N724 P725 D729 R730 L731V721-T727 HydrophobicContact CG1-CG2 3.95Å; S722-T727 PolarHBondContact O-OG1 3.2Å; N724-T727 PolarHBondContact N-OG1 3.36Å; N724-T727 PolarHBondContact O-N 2.75Å; N724-T727 PolarHBondContact O-OG1 2.85Å; N724-T727 VanDerWaalsContact O-OG1 3.12Å; P725-T727 PolarHBondContact O-N 2.96Å; T727-D729 PolarHBondContact O-N 3.45Å; T727-R730 PolarHBondContact O-N 2.88Å; T727-L731 WeakPolarHBondContact O-CB 3.39Å; T727-L731 VanDerWaalsContact O-CG 3.25Å; T727-L731 WeakPolarHBondContact O-CG 3.16Å; T727-L731 PolarHBondContact O-N 3.44Å
728Y88.1Confident83.3Confident1 Ų161.3 Ų61.30%0.00434%0.337CS..Hα-helixtrans-55.8-50.7-179177.1-112.1000112.9N724 R730 L731 V732 R733 W784 P953 L956N724-Y728 WeakPolarHBondContact O-CB 3.3Å; N724-Y728 PolarHBondContact O-N 2.79Å; Y728-R730 VanDerWaalsContact C-N 3.34Å; Y728-R730 PolarHBondContact O-N 3.48Å; Y728-L731 PolarHBondContact O-N 2.99Å; Y728-V732 HydrophobicContact CD2-CB 3.88Å; Y728-V732 HydrophobicContact CD2-CG1 4.43Å; Y728-V732 HydrophobicContact CD2-CG2 3.9Å; Y728-V732 HydrophobicContact CE2-CB 3.75Å; Y728-V732 HydrophobicContact CE2-CG1 3.79Å; Y728-V732 HydrophobicContact CE2-CG2 4.02Å; Y728-V732 WeakPolarHBondContact O-CB 3.46Å; Y728-V732 PolarHBondContact O-N 2.81Å; Y728-R733 PolarHBondContact O-N 2.85Å; Y728-W784 AromaticContact CE2-CE2 3.79Å; Y728-W784 AromaticContact CE2-CZ2 3.87Å; Y728-W784 HydrophobicContact CE2-CZ2 3.87Å; Y728-W784 AromaticContact CE2-NE1 3.31Å; Y728-W784 VanDerWaalsContact CE2-NE1 3.31Å; Y728-W784 AromaticContact CZ-NE1 3.62Å; Y728-W784 PolarHBondContact OH-NE1 2.88Å; Y728-P953 VanDerWaalsContact CE1-O 3.22Å; Y728-P953 WeakPolarHBondContact CE1-O 3.29Å; Y728-P953 WeakPolarHBondContact OH-CD 3.34Å; Y728-P953 PolarHBondContact OH-O 3.03Å; Y728-L956 HydrophobicContact CD2-CD1 3.23Å; Y728-L956 HydrophobicContact CE2-CD1 3.78Å; Y728-L956 HydrophobicContact CG-CB 4.49Å; Y728-L956 HydrophobicContact CG-CD1 3.75Å
729D85.2Confident84.5Confident55 Ų5560.1 Ų60.129%0.29433%0.328SS..Iπ-helixtrans-56.2-49.8-178-69.6-2000111.1T727 R733 D734T727-D729 PolarHBondContact O-N 3.45Å; D729-R733 VanDerWaalsContact CG-NH1 3.26Å; D729-R733 PolarHBondContact O-N 2.73Å; D729-R733 IonicContact OD1-CZ 3.15Å; D729-R733 IonicContact OD1-NH1 4Å; D729-R733 PolarHBondContact OD1-NH1 3.35Å; D729-R733 IonicContact OD1-NH2 3.29Å; D729-R733 PolarHBondContact OD1-NH2 3.43Å; D729-R733 IonicContact OD2-CZ 3.41Å; D729-R733 IonicContact OD2-NH1 3.09Å; D729-R733 PolarHBondContact OD2-NH1 3.07Å; D729-R733 IonicContact OD2-NH2 2.74Å; D729-R733 PolarHBondContact OD2-NH2 2.92Å; D729-D734 WeakPolarHBondContact O-CA 3.24Å; D729-D734 WeakPolarHBondContact O-CB 3.4Å; D729-D734 PolarHBondContact O-N 3.09Å
730R85.7Confident85.1Confident201 Ų20158.4 Ų58.476%0.75831%0.309SS*.Iπ-helixtrans-69.9-35.6-179.2-179.5177.7167.1170.6-1.9113.8T727 Y728T727-R730 PolarHBondContact O-N 2.88Å; Y728-R730 VanDerWaalsContact C-N 3.34Å; Y728-R730 PolarHBondContact O-N 3.48Å
731L86.1Confident85.6Confident15 Ų1556 Ų568%0.07930%0.296CS..Iπ-helixtrans-92.4-25.2-170.9-65.1176.1000113.5V721 L723 T727 Y728 F739 L741 Q772V721-L731 HydrophobicContact CG1-CD1 4.21Å; L723-L731 HydrophobicContact CD1-CD1 4.21Å; T727-L731 WeakPolarHBondContact O-CB 3.39Å; T727-L731 VanDerWaalsContact O-CG 3.25Å; T727-L731 WeakPolarHBondContact O-CG 3.16Å; T727-L731 PolarHBondContact O-N 3.44Å; Y728-L731 PolarHBondContact O-N 2.99Å; L731-F739 HydrophobicContact CD2-CE1 4.01Å; L731-F739 HydrophobicContact CD2-CZ 3.69Å; L731-F739 WeakPolarHBondContact O-CE1 3.46Å; L731-L741 HydrophobicContact CB-CD1 4.31Å; L731-L741 HydrophobicContact CB-CD2 3.94Å; L731-L741 HydrophobicContact CD1-CD1 4.16Å; L731-L741 HydrophobicContact CD2-CD1 4.35Å; L731-Q772 HydrophobicContact CD2-CG 4.44Å
732V88.6Confident85.9Confident0 Ų054 Ų540%028%0.284CS..Iπ-helixtrans-120.9-60.7-174.8-178.40000111L723 Y728 L741 V838 G840 W952L723-V732 HydrophobicContact CD1-CG2 4.45Å; Y728-V732 HydrophobicContact CD2-CB 3.88Å; Y728-V732 HydrophobicContact CD2-CG1 4.43Å; Y728-V732 HydrophobicContact CD2-CG2 3.9Å; Y728-V732 HydrophobicContact CE2-CB 3.75Å; Y728-V732 HydrophobicContact CE2-CG1 3.79Å; Y728-V732 HydrophobicContact CE2-CG2 4.02Å; Y728-V732 WeakPolarHBondContact O-CB 3.46Å; Y728-V732 PolarHBondContact O-N 2.81Å; V732-L741 HydrophobicContact CG2-CD2 3.83Å; V732-V838 HydrophobicContact CG1-CG1 3.96Å; V732-V838 HydrophobicContact CG2-CG1 4.25Å; V732-G840 WeakPolarHBondContact O-CA 3.4Å; V732-W952 HydrophobicContact CG1-CD2 3.51Å; V732-W952 HydrophobicContact CG1-CE3 3.64Å; V732-W952 HydrophobicContact CG1-CG 3.96Å; V732-W952 HydrophobicContact CG1-CH2 4.34Å; V732-W952 HydrophobicContact CG1-CZ2 4.21Å; V732-W952 HydrophobicContact CG1-CZ3 4.03Å
733R84.3Confident86.3Confident98 Ų9851.1 Ų51.137%0.3726%0.264SS..Iπ-helixtrans-70.1-51.2-171.7-167.2177.768.2-142-4.9112.9Y728 D729Y728-R733 PolarHBondContact O-N 2.85Å; D729-R733 VanDerWaalsContact CG-NH1 3.26Å; D729-R733 PolarHBondContact O-N 2.73Å; D729-R733 IonicContact OD1-CZ 3.15Å; D729-R733 IonicContact OD1-NH1 4Å; D729-R733 PolarHBondContact OD1-NH1 3.35Å; D729-R733 IonicContact OD1-NH2 3.29Å; D729-R733 PolarHBondContact OD1-NH2 3.43Å; D729-R733 IonicContact OD2-CZ 3.41Å; D729-R733 IonicContact OD2-NH1 3.09Å; D729-R733 PolarHBondContact OD2-NH1 3.07Å; D729-R733 IonicContact OD2-NH2 2.74Å; D729-R733 PolarHBondContact OD2-NH2 2.92Å
734D85Confident86.6Confident105 Ų10551.1 Ų51.156%0.56126%0.264SS*.THydrogen-bonded Turntrans-103.728.5-175.8-56.6-44000111.5D729D729-D734 WeakPolarHBondContact O-CA 3.24Å; D729-D734 WeakPolarHBondContact O-CB 3.4Å; D729-D734 PolarHBondContact O-N 3.09Å
735A86.4Confident86.8Confident6 Ų649.2 Ų49.25%0.0525%0.254CS..PPolyproline II helixtrans-63.7133.9-177.200000112F739A735-F739 HydrophobicContact CB-CD1 4.03Å
736P85.5Confident87.1Confident78 Ų7846.8 Ų46.851%0.50624%0.238SC..PPolyproline II helixtrans-69159.3-179.723.7-27.9000112.6G738 F739P736-G738 PolarHBondContact O-N 3.35Å; P736-F739 HydrophobicContact CG-CB 3.88Å; P736-F739 HydrophobicContact CG-CG 4.27Å; P736-F739 WeakPolarHBondContact O-CB 3.25Å; P736-F739 PolarHBondContact O-N 3.16Å; P736-F739 VanDerWaalsContact O-N 3.08Å
737K82Confident87.1Confident153 Ų15346.6 Ų46.667%0.66522%0.221SC*.THydrogen-bonded Turntrans-59.3130.6179.6-55.2-161.1-169.7-164.70111F739 Y841K737-F739 VanDerWaalsContact C-N 3.29Å; K737-Y841 HydrophobicContact CB-CD1 4.28Å; K737-Y841 HydrophobicContact CB-CE1 4.35Å; K737-Y841 HydrophobicContact CB-CG 4.47Å; K737-Y841 HydrophobicContact CD-CD1 4.5Å; K737-Y841 HydrophobicContact CD-CE1 3.76Å; K737-Y841 HydrophobicContact CD-CE2 4.03Å; K737-Y841 WeakPolarHBondContact CE-OH 3.43Å; K737-Y841 HydrophobicContact CG-CD1 3.99Å; K737-Y841 HydrophobicContact CG-CD2 3.86Å; K737-Y841 HydrophobicContact CG-CE1 3.72Å; K737-Y841 HydrophobicContact CG-CE2 3.63Å; K737-Y841 HydrophobicContact CG-CG 4.07Å; K737-Y841 PolarHBondContact NZ-OH 3.38Å
738G78.9Confident86.4Confident39 Ų3947.8 Ų47.840%0.40224%0.24SC..THydrogen-bonded Turntrans85.3-4.7-179.700000114.5P736P736-G738 PolarHBondContact O-N 3.35Å
739F87.1Confident85.8Confident27 Ų2749.2 Ų49.212%0.11825%0.249CC..  trans-76.3134.6176.5-173.1-100.9000112L731 A735 P736 K737 L741 Q770 Q772L731-F739 HydrophobicContact CD2-CE1 4.01Å; L731-F739 HydrophobicContact CD2-CZ 3.69Å; L731-F739 WeakPolarHBondContact O-CE1 3.46Å; A735-F739 HydrophobicContact CB-CD1 4.03Å; P736-F739 HydrophobicContact CG-CB 3.88Å; P736-F739 HydrophobicContact CG-CG 4.27Å; P736-F739 WeakPolarHBondContact O-CB 3.25Å; P736-F739 PolarHBondContact O-N 3.16Å; P736-F739 VanDerWaalsContact O-N 3.08Å; K737-F739 VanDerWaalsContact C-N 3.29Å; F739-L741 HydrophobicContact CE1-CB 4.22Å; F739-L741 HydrophobicContact CE1-CD1 4.49Å; F739-Q770 CarbonylContact C-O 3.28Å; F739-Q770 VanDerWaalsContact CA-O 3.31Å; F739-Q770 WeakPolarHBondContact CA-O 3.11Å; F739-Q772 HydrophobicContact CE1-CB 4.47Å; F739-Q772 HydrophobicContact CE2-CB 3.65Å; F739-Q772 HydrophobicContact CZ-CB 3.39Å; F739-Q772 HydrophobicContact CZ-CG 4.19Å
740R90Very high85.1Confident64 Ų6452.4 Ų52.424%0.24227%0.27CS..EExtended strand (participates in β ladder)trans-127.1138.7171.6-66.9-176-174.6177.61.5110.3Q770 I771 Q772 V838R740-Q770 PolarHBondContact N-O 3.15Å; R740-I771 HydrophobicContact CB-CG1 4.43Å; R740-I771 WeakPolarHBondContact O-CA 3.42Å; R740-Q772 PolarHBondContact O-N 3.29Å; R740-V838 WeakPolarHBondContact CA-O 3.48Å
741L92.9Very high84.5Confident0 Ų047.9 Ų47.90%026%0.258CS..EExtended strand (participates in β ladder)trans-111.6125.7179.1-176.172000109.8L723 L731 V732 F739 V743 Q772 A774 A837 V838L723-L741 HydrophobicContact CD1-CD2 4.26Å; L723-L741 HydrophobicContact CD2-CD2 4.45Å; L731-L741 HydrophobicContact CB-CD1 4.31Å; L731-L741 HydrophobicContact CB-CD2 3.94Å; L731-L741 HydrophobicContact CD1-CD1 4.16Å; L731-L741 HydrophobicContact CD2-CD1 4.35Å; V732-L741 HydrophobicContact CG2-CD2 3.83Å; F739-L741 HydrophobicContact CE1-CB 4.22Å; F739-L741 HydrophobicContact CE1-CD1 4.49Å; L741-V743 HydrophobicContact CD2-CG2 3.57Å; L741-V743 HydrophobicContact CG-CG2 3.72Å; L741-Q772 WeakPolarHBondContact CA-O 3.15Å; L741-Q772 HydrophobicContact CD1-CB 4.12Å; L741-Q772 HydrophobicContact CD1-CG 4.31Å; L741-A774 HydrophobicContact CD1-CB 3.89Å; L741-A774 HydrophobicContact CG-CB 4.42Å; L741-A837 CarbonylContact O-C 3.53Å; L741-A837 WeakPolarHBondContact O-CA 3.35Å; L741-V838 HydrophobicContact CB-CB 4.3Å; L741-V838 PolarHBondContact N-O 2.9Å; L741-V838 PolarHBondContact O-N 3.32Å
742L93.4Very high84.1Confident2 Ų247.3 Ų47.31%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-99117.7170.7-63.8175.7000109.1F759 T763 I771 Q772 R773 A774 A837 W935 L936 L939L742-F759 HydrophobicContact CB-CZ 4.04Å; L742-T763 HydrophobicContact CD1-CG2 4.13Å; L742-I771 HydrophobicContact CD1-CG2 4.06Å; L742-I771 HydrophobicContact CG-CG2 4.31Å; L742-Q772 PolarHBondContact N-O 2.89Å; L742-R773 CarbonylContact O-C 3.51Å; L742-R773 WeakPolarHBondContact O-CA 3.45Å; L742-A774 PolarHBondContact O-N 3.06Å; L742-A837 HydrophobicContact CD2-CB 3.69Å; L742-W935 HydrophobicContact CD2-CZ3 4.43Å; L742-L936 HydrophobicContact CD1-CD2 3.84Å; L742-L936 HydrophobicContact CD2-CD2 4.06Å; L742-L939 HydrophobicContact CD2-CD2 3.74Å
743V92.7Very high83.8Confident0 Ų051.3 Ų51.30%028%0.276CS..EExtended strand (participates in β ladder)trans-113.5120.9-175-173.40000110L723 L741 A774 L776 V835 I836L723-V743 HydrophobicContact CD2-CG1 4.04Å; L723-V743 HydrophobicContact CD2-CG2 4.03Å; L741-V743 HydrophobicContact CD2-CG2 3.57Å; L741-V743 HydrophobicContact CG-CG2 3.72Å; V743-A774 CarbonylContact C-O 3.46Å; V743-A774 VanDerWaalsContact CA-O 3.31Å; V743-A774 WeakPolarHBondContact CA-O 3.41Å; V743-L776 HydrophobicContact CG1-CB 3.54Å; V743-V835 CarbonylContact O-C 3.59Å; V743-V835 VanDerWaalsContact O-CA 3.31Å; V743-V835 WeakPolarHBondContact O-CA 3.46Å; V743-I836 HydrophobicContact CB-CB 4.29Å; V743-I836 PolarHBondContact N-O 3.02Å; V743-I836 PolarHBondContact O-N 3.3Å
744L92.4Very high83.7Confident1 Ų155.6 Ų55.61%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-91.8129170.5178.771.3000110.5V746 R756 F759 A774 C775 L776 V835 L929L744-V746 HydrophobicContact CB-CG2 4.4Å; L744-V746 HydrophobicContact CD2-CG2 3.71Å; L744-V746 HydrophobicContact CG-CG2 3.71Å; L744-R756 HydrophobicContact CD2-CG 4.25Å; L744-F759 HydrophobicContact CB-CD1 4.04Å; L744-F759 HydrophobicContact CB-CD2 4.14Å; L744-F759 HydrophobicContact CB-CE1 4.06Å; L744-F759 HydrophobicContact CB-CE2 4.18Å; L744-F759 HydrophobicContact CB-CG 4.08Å; L744-F759 HydrophobicContact CB-CZ 4.13Å; L744-F759 HydrophobicContact CD1-CD2 4.2Å; L744-F759 HydrophobicContact CD1-CG 4.42Å; L744-F759 HydrophobicContact CD2-CB 3.78Å; L744-F759 HydrophobicContact CD2-CD1 4.24Å; L744-F759 HydrophobicContact CD2-CG 3.95Å; L744-F759 HydrophobicContact CG-CG 4.37Å; L744-A774 PolarHBondContact N-O 3.07Å; L744-C775 CarbonylContact O-C 3.55Å; L744-C775 WeakPolarHBondContact O-CA 3.45Å; L744-L776 PolarHBondContact O-N 3.42Å; L744-V835 HydrophobicContact CD1-CG2 3.75Å; L744-L929 HydrophobicContact CD1-CD2 4.17Å
745C89.7Confident83.6Confident1 Ų151 Ų511%0.00727%0.268CS..EExtended strand (participates in β ladder)trans-86.4125.5174.8-65.80000111.5M778 C831 G833 T834C745-M778 HydrophobicContact CB-CG 3.78Å; C745-M778 HydrophobicContact CB-SD 3.69Å; C745-C831 WeakPolarHBondContact CB-O 3.46Å; C745-G833 PolarHBondContact O-N 2.79Å; C745-G833 VanDerWaalsContact O-N 3.1Å; C745-T834 WeakPolarHBondContact CB-O 3.31Å; C745-T834 PolarHBondContact N-O 3.14Å
746V88.3Confident83.6Confident2 Ų254.7 Ų54.71%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-138.4149.1-166-176.30000110.2L744 D752 C775 L776 S777 M778L744-V746 HydrophobicContact CB-CG2 4.4Å; L744-V746 HydrophobicContact CD2-CG2 3.71Å; L744-V746 HydrophobicContact CG-CG2 3.71Å; V746-D752 HydrophobicContact CG1-CB 3.25Å; V746-D752 WeakPolarHBondContact CG1-OD2 3.43Å; V746-C775 HydrophobicContact CG2-CB 4.46Å; V746-L776 PolarHBondContact N-O 2.91Å; V746-S777 CarbonylContact O-C 3.55Å; V746-S777 VanDerWaalsContact O-CA 3.31Å; V746-S777 WeakPolarHBondContact O-CA 3.26Å; V746-M778 PolarHBondContact O-N 3.38Å
747R80.3Confident83.6Confident99 Ų9956.3 Ų56.337%0.37429%0.285SS..  trans-81.2-51179.5-161.5174.391.3160.21.4112.1T749 D752 S777 D779 V832R747-T749 HydrophobicContact CB-CG2 4.25Å; R747-T749 HydrophobicContact CG-CG2 4.38Å; R747-T749 VanDerWaalsContact NH2-CG2 3.27Å; R747-D752 PolarHBondContact N-OD2 2.67Å; R747-D752 VanDerWaalsContact N-OD2 3.11Å; R747-S777 PolarHBondContact O-OG 3.31Å; R747-D779 VanDerWaalsContact CG-OD1 3.26Å; R747-D779 WeakPolarHBondContact CG-OD1 3.47Å; R747-D779 WeakPolarHBondContact CG-OD2 3.41Å; R747-D779 VanDerWaalsContact O-OD2 3.09Å; R747-V832 HydrophobicContact CB-CG2 4.28Å
748G72.5Confident83.8Confident56 Ų5651.6 Ų51.658%0.57727%0.265SS*.SBendtrans123.916.1-17000000113.8D752G748-D752 WeakPolarHBondContact CA-OD2 3.45Å; G748-D752 PolarHBondContact N-OD2 3.45Å
749T74.3Confident84.3Confident32 Ų3249.7 Ų49.720%0.19625%0.246CC..SBendtrans-88.1174.3-178.566.60000112.8R747 Q751 D752R747-T749 HydrophobicContact CB-CG2 4.25Å; R747-T749 HydrophobicContact CG-CG2 4.38Å; R747-T749 VanDerWaalsContact NH2-CG2 3.27Å; T749-Q751 VanDerWaalsContact C-N 3.3Å; T749-Q751 PolarHBondContact O-N 3.07Å; T749-Q751 PolarHBondContact OG1-N 3.35Å; T749-D752 PolarHBondContact N-OD2 3.39Å; T749-D752 WeakPolarHBondContact O-CB 3.33Å; T749-D752 PolarHBondContact O-N 3.09Å; T749-D752 PolarHBondContact OG1-OD2 3.19Å
750T71.6Confident84.3Confident121 Ų12149.8 Ų49.874%0.74225%0.247SC*.SBendtrans-66.5-30.4173.552.30000112.9D752 N753T750-D752 VanDerWaalsContact C-N 3.27Å; T750-D752 PolarHBondContact O-N 3.23Å; T750-N753 PolarHBondContact O-N 3.3Å
751Q71.7Confident84.1Confident107 Ų10753.1 Ų53.150%0.526%0.264SS..Hα-helixtrans-64.9-32.5177.2-70.4164.6-35.500111.9T749 N753 R754 L755T749-Q751 VanDerWaalsContact C-N 3.3Å; T749-Q751 PolarHBondContact O-N 3.07Å; T749-Q751 PolarHBondContact OG1-N 3.35Å; Q751-N753 PolarHBondContact O-N 2.94Å; Q751-R754 WeakPolarHBondContact O-CB 3.45Å; Q751-R754 PolarHBondContact O-N 2.84Å; Q751-L755 PolarHBondContact O-N 3.46Å
752D78.7Confident83.7Confident3 Ų355.3 Ų55.32%0.01627%0.273CS..Hα-helixtrans-62.8-24-179.6-70-33.1000114V746 R747 G748 T749 T750 R754 L755 R756V746-D752 HydrophobicContact CG1-CB 3.25Å; V746-D752 WeakPolarHBondContact CG1-OD2 3.43Å; R747-D752 PolarHBondContact N-OD2 2.67Å; R747-D752 VanDerWaalsContact N-OD2 3.11Å; G748-D752 WeakPolarHBondContact CA-OD2 3.45Å; G748-D752 PolarHBondContact N-OD2 3.45Å; T749-D752 PolarHBondContact N-OD2 3.39Å; T749-D752 WeakPolarHBondContact O-CB 3.33Å; T749-D752 PolarHBondContact O-N 3.09Å; T749-D752 PolarHBondContact OG1-OD2 3.19Å; T750-D752 VanDerWaalsContact C-N 3.27Å; T750-D752 PolarHBondContact O-N 3.23Å; D752-R754 VanDerWaalsContact C-N 3.29Å; D752-R754 PolarHBondContact O-N 3.37Å; D752-L755 PolarHBondContact O-N 2.89Å; D752-R756 WeakPolarHBondContact O-CB 2.94Å; D752-R756 VanDerWaalsContact O-CG 3.23Å; D752-R756 WeakPolarHBondContact O-CG 3.48Å; D752-R756 PolarHBondContact O-N 2.89Å
753N81.7Confident83.4Confident84 Ų8455.2 Ų55.245%0.44927%0.273SS..Hα-helixtrans-63-39.6173.2-67-28000110.8T750 Q751 R756 D757T750-N753 PolarHBondContact O-N 3.3Å; Q751-N753 PolarHBondContact O-N 2.94Å; N753-R756 PolarHBondContact O-N 3Å; N753-R756 PolarHBondContact OD1-NH1 2.97Å; N753-D757 VanDerWaalsContact O-CG 3.23Å; N753-D757 PolarHBondContact O-N 3.29Å
754R82Confident83Confident188 Ų18860.7 Ų60.771%0.70929%0.294SS*.Hα-helixtrans-67.9-40.6176.7-60.1177.175172.92.1111.4Q751 D752 R756 D757 Q758Q751-R754 WeakPolarHBondContact O-CB 3.45Å; Q751-R754 PolarHBondContact O-N 2.84Å; D752-R754 VanDerWaalsContact C-N 3.29Å; D752-R754 PolarHBondContact O-N 3.37Å; R754-R756 VanDerWaalsContact C-N 3.35Å; R754-D757 PolarHBondContact O-N 2.9Å; R754-Q758 WeakPolarHBondContact O-CG 3.34Å; R754-Q758 PolarHBondContact O-N 3.1Å
755L84.1Confident82.4Confident7 Ų771.4 Ų71.44%0.03733%0.334CS..Hα-helixtrans-63.9-40.2174.9-75.1171.5000111.7Q751 D752 Q758 F759 V832 D925 L928 L929Q751-L755 PolarHBondContact O-N 3.46Å; D752-L755 PolarHBondContact O-N 2.89Å; L755-Q758 PolarHBondContact O-N 2.98Å; L755-F759 VanDerWaalsContact O-CB 3.3Å; L755-F759 WeakPolarHBondContact O-CB 3.16Å; L755-F759 PolarHBondContact O-N 3.47Å; L755-V832 HydrophobicContact CD1-CG1 3.9Å; L755-D925 WeakPolarHBondContact CD2-O 3.43Å; L755-L928 HydrophobicContact CD1-CD1 4.3Å; L755-L928 HydrophobicContact CD2-CB 4.23Å; L755-L928 HydrophobicContact CD2-CD1 4.1Å; L755-L929 HydrophobicContact CD2-CD1 4.44Å; L755-L929 HydrophobicContact CD2-CG 4.4Å
756R86.5Confident81.9Confident84 Ų8473.4 Ų73.432%0.31735%0.346SS..Hα-helixtrans-62.5-41.5173.4-75.2173.2-175.4153.91.2112L744 D752 N753 R754 F759 D760L744-R756 HydrophobicContact CD2-CG 4.25Å; D752-R756 WeakPolarHBondContact O-CB 2.94Å; D752-R756 VanDerWaalsContact O-CG 3.23Å; D752-R756 WeakPolarHBondContact O-CG 3.48Å; D752-R756 PolarHBondContact O-N 2.89Å; N753-R756 PolarHBondContact O-N 3Å; N753-R756 PolarHBondContact OD1-NH1 2.97Å; R754-R756 VanDerWaalsContact C-N 3.35Å; R756-F759 PolarHBondContact O-N 2.83Å; R756-D760 VanDerWaalsContact O-CB 3.3Å; R756-D760 WeakPolarHBondContact O-CB 3.15Å; R756-D760 PolarHBondContact O-N 3.07Å
757D85.4Confident81.5Confident112 Ų11274.6 Ų74.660%0.59935%0.354SS*.Hα-helixtrans-65.4-40.9177.2-68.1-24.5000111.7N753 R754 D760 F761N753-D757 VanDerWaalsContact O-CG 3.23Å; N753-D757 PolarHBondContact O-N 3.29Å; R754-D757 PolarHBondContact O-N 2.9Å; D757-D760 PolarHBondContact O-N 3.19Å; D757-F761 VanDerWaalsContact O-CB 3.32Å; D757-F761 WeakPolarHBondContact O-CB 3.37Å; D757-F761 PolarHBondContact O-N 2.95Å
758Q84.9Confident81.3Confident54 Ų5471.8 Ų71.825%0.25236%0.356SS..Hα-helixtrans-65.3-44.7174.5-76-168.4-14.100112.2R754 L755 D760 F761 K762 S926 L929R754-Q758 WeakPolarHBondContact O-CG 3.34Å; R754-Q758 PolarHBondContact O-N 3.1Å; L755-Q758 PolarHBondContact O-N 2.98Å; Q758-D760 VanDerWaalsContact C-N 3.35Å; Q758-F761 PolarHBondContact O-N 3.38Å; Q758-K762 WeakPolarHBondContact O-CB 3.32Å; Q758-K762 WeakPolarHBondContact O-CG 3.46Å; Q758-K762 PolarHBondContact O-N 2.89Å; Q758-S926 PolarHBondContact NE2-O 3.37Å; Q758-S926 PolarHBondContact OE1-O 3.14Å; Q758-L929 HydrophobicContact CB-CD1 4.05Å
759F89.7Confident81.4Confident0 Ų075.1 Ų75.10%037%0.37CS..Hα-helixtrans-60.9-45.5175.1178.1-106000110.7I720 L742 L744 L755 R756 F761 K762 T763 R773 V835 L929 L932I720-F759 HydrophobicContact CD1-CD1 4.19Å; L742-F759 HydrophobicContact CB-CZ 4.04Å; L744-F759 HydrophobicContact CB-CD1 4.04Å; L744-F759 HydrophobicContact CB-CD2 4.14Å; L744-F759 HydrophobicContact CB-CE1 4.06Å; L744-F759 HydrophobicContact CB-CE2 4.18Å; L744-F759 HydrophobicContact CB-CG 4.08Å; L744-F759 HydrophobicContact CB-CZ 4.13Å; L744-F759 HydrophobicContact CD1-CD2 4.2Å; L744-F759 HydrophobicContact CD1-CG 4.42Å; L744-F759 HydrophobicContact CD2-CB 3.78Å; L744-F759 HydrophobicContact CD2-CD1 4.24Å; L744-F759 HydrophobicContact CD2-CG 3.95Å; L744-F759 HydrophobicContact CG-CG 4.37Å; L755-F759 VanDerWaalsContact O-CB 3.3Å; L755-F759 WeakPolarHBondContact O-CB 3.16Å; L755-F759 PolarHBondContact O-N 3.47Å; R756-F759 PolarHBondContact O-N 2.83Å; F759-F761 PolarHBondContact O-N 3.19Å; F759-K762 PolarHBondContact O-N 3.47Å; F759-T763 HydrophobicContact CD2-CG2 3.8Å; F759-T763 HydrophobicContact CE1-CG2 4.31Å; F759-T763 HydrophobicContact CE2-CG2 3.5Å; F759-T763 HydrophobicContact CG-CG2 4.31Å; F759-T763 HydrophobicContact CZ-CG2 3.8Å; F759-T763 WeakPolarHBondContact O-CB 3.26Å; F759-T763 VanDerWaalsContact O-CG2 3.31Å; F759-T763 WeakPolarHBondContact O-CG2 3.39Å; F759-T763 PolarHBondContact O-N 3.37Å; F759-T763 PolarHBondContact O-OG1 2.78Å; F759-R773 HydrophobicContact CE1-CB 4.13Å; F759-R773 HydrophobicContact CE1-CG 4.25Å; F759-V835 HydrophobicContact CD2-CG2 4.17Å; F759-V835 HydrophobicContact CE2-CG1 3.99Å; F759-V835 HydrophobicContact CE2-CG2 3.96Å; F759-L929 HydrophobicContact CB-CD1 3.85Å; F759-L932 HydrophobicContact CD2-CD2 3.66Å; F759-L932 HydrophobicContact CE2-CD2 4.13Å
760D87.4Confident81.7Confident28 Ų2879.3 Ų79.315%0.1539%0.388CS..Hα-helixtrans-57.5-51.9175.9-169.346.1000110.3I720 R756 D757 Q758 K762 T763 R764 R773I720-D760 HydrophobicContact CD1-CB 3.63Å; R756-D760 VanDerWaalsContact O-CB 3.3Å; R756-D760 WeakPolarHBondContact O-CB 3.15Å; R756-D760 PolarHBondContact O-N 3.07Å; D757-D760 PolarHBondContact O-N 3.19Å; Q758-D760 VanDerWaalsContact C-N 3.35Å; D760-K762 PolarHBondContact O-N 2.94Å; D760-T763 PolarHBondContact O-N 3.39Å; D760-T763 PolarHBondContact O-OG1 3.49Å; D760-R764 WeakPolarHBondContact O-CB 3.2Å; D760-R764 PolarHBondContact O-N 3.42Å; D760-R764 IonicContact OD2-CZ 3.78Å; D760-R764 IonicContact OD2-NE 3.38Å; D760-R764 PolarHBondContact OD2-NE 3.12Å; D760-R764 IonicContact OD2-NH2 2.64Å; D760-R764 PolarHBondContact OD2-NH2 3.35Å; D760-R773 IonicContact OD1-CZ 2.8Å; D760-R773 IonicContact OD1-NH1 3.35Å; D760-R773 PolarHBondContact OD1-NH1 3.5Å; D760-R773 IonicContact OD1-NH2 3.45Å
761F85.1Confident82.5Confident134 Ų13474.7 Ų74.759%0.58836%0.358SS*.Hα-helixtrans-57.5-46.4179.6-178.7-99000112.8D757 Q758 F759D757-F761 VanDerWaalsContact O-CB 3.32Å; D757-F761 WeakPolarHBondContact O-CB 3.37Å; D757-F761 PolarHBondContact O-N 2.95Å; Q758-F761 PolarHBondContact O-N 3.38Å; F759-F761 PolarHBondContact O-N 3.19Å
762K85.6Confident83.3Confident46 Ų4670.8 Ų70.820%0.234%0.34CS..Hα-helixtrans-71.4-35-178.2-73.9177.8173.81720112.5Q758 F759 D760 L929 D930 L932Q758-K762 WeakPolarHBondContact O-CB 3.32Å; Q758-K762 WeakPolarHBondContact O-CG 3.46Å; Q758-K762 PolarHBondContact O-N 2.89Å; F759-K762 PolarHBondContact O-N 3.47Å; D760-K762 PolarHBondContact O-N 2.94Å; K762-L929 HydrophobicContact CD-CB 4.32Å; K762-L929 PolarHBondContact NZ-O 3.16Å; K762-D930 VanDerWaalsContact NZ-CA 3.34Å; K762-D930 IonicContact NZ-OD1 2.64Å; K762-D930 PolarHBondContact NZ-OD1 2.89Å; K762-L932 HydrophobicContact CB-CD2 4.42Å
763T87.5Confident83.9Confident0 Ų070.9 Ų70.90%034%0.34CS..Hα-helixtrans-90.7-19.2-177.358.90000114.2L742 F759 D760 R765 V766 C767 R773 L932 L936L742-T763 HydrophobicContact CD1-CG2 4.13Å; F759-T763 HydrophobicContact CD2-CG2 3.8Å; F759-T763 HydrophobicContact CE1-CG2 4.31Å; F759-T763 HydrophobicContact CE2-CG2 3.5Å; F759-T763 HydrophobicContact CG-CG2 4.31Å; F759-T763 HydrophobicContact CZ-CG2 3.8Å; F759-T763 WeakPolarHBondContact O-CB 3.26Å; F759-T763 VanDerWaalsContact O-CG2 3.31Å; F759-T763 WeakPolarHBondContact O-CG2 3.39Å; F759-T763 PolarHBondContact O-N 3.37Å; F759-T763 PolarHBondContact O-OG1 2.78Å; D760-T763 PolarHBondContact O-N 3.39Å; D760-T763 PolarHBondContact O-OG1 3.49Å; T763-R765 PolarHBondContact O-N 3.32Å; T763-R765 VanDerWaalsContact O-N 3.09Å; T763-V766 PolarHBondContact O-N 2.65Å; T763-C767 PolarHBondContact O-N 3.35Å; T763-C767 PolarHBondContact O-SG 3.49Å; T763-R773 WeakPolarHBondContact OG1-CD 3.5Å; T763-L932 HydrophobicContact CG2-CD2 4.44Å; T763-L936 HydrophobicContact CG2-CD1 4.03Å
764R82.8Confident84.4Confident116 Ų11666.9 Ų66.944%0.43832%0.319SS..THydrogen-bonded Turntrans-53.7-34.6-175.5-167.3179.5-68161.7-7.1113.5L717 D760 V766L717-R764 HydrophobicContact CD2-CG 3.61Å; D760-R764 WeakPolarHBondContact O-CB 3.2Å; D760-R764 PolarHBondContact O-N 3.42Å; D760-R764 IonicContact OD2-CZ 3.78Å; D760-R764 IonicContact OD2-NE 3.38Å; D760-R764 PolarHBondContact OD2-NE 3.12Å; D760-R764 IonicContact OD2-NH2 2.64Å; D760-R764 PolarHBondContact OD2-NH2 3.35Å; R764-V766 VanDerWaalsContact C-N 3.31Å; R764-V766 PolarHBondContact O-N 3.43Å
765R80Confident84.8Confident225 Ų22558.5 Ų58.585%0.84929%0.289SS*.THydrogen-bonded Turntrans-71.5-24.6-179.8-67.1-175.5-178.7178.20.7113.9T763T763-R765 PolarHBondContact O-N 3.32Å; T763-R765 VanDerWaalsContact O-N 3.09Å
766V80.2Confident85.1Confident44 Ų4458.2 Ų58.227%0.26729%0.287SS..THydrogen-bonded Turntrans-102.1-12-173.1-159.60000112.3T763 R764 I771 F940T763-V766 PolarHBondContact O-N 2.65Å; R764-V766 VanDerWaalsContact C-N 3.31Å; R764-V766 PolarHBondContact O-N 3.43Å; V766-I771 HydrophobicContact CG1-CD1 4.25Å; V766-I771 VanDerWaalsContact O-CD1 3.27Å; V766-I771 WeakPolarHBondContact O-CD1 3.45Å; V766-F940 HydrophobicContact CB-CE2 4.13Å; V766-F940 HydrophobicContact CB-CZ 4.45Å; V766-F940 HydrophobicContact CG1-CD2 3.64Å; V766-F940 HydrophobicContact CG1-CE1 4.08Å; V766-F940 HydrophobicContact CG1-CE2 3.12Å; V766-F940 HydrophobicContact CG1-CG 4.37Å; V766-F940 HydrophobicContact CG1-CZ 3.37Å; V766-F940 HydrophobicContact CG2-CE2 4.49Å
767C78.7Confident85.2Confident27 Ų2755 Ų5518%0.18228%0.278CS..  trans-82136.8-178.8-63.10000111.5T763 R773T763-C767 PolarHBondContact O-N 3.35Å; T763-C767 PolarHBondContact O-SG 3.49Å; C767-R773 WeakPolarHBondContact SG-CD 3.43Å; C767-R773 WeakPolarHBondContact SG-CG 3.29Å; C767-R773 PolarHBondContact SG-NE 3.45Å; C767-R773 VanDerWaalsContact SG-NE 3.41Å
768G75.9Confident85.1Confident39 Ų3949.7 Ų49.740%0.40225%0.249SC..BIsolated β-bridgetrans-155-161.6-178.900000110.2Q770 I771G768-Q770 PolarHBondContact O-N 2.97Å; G768-Q770 VanDerWaalsContact O-N 3.1Å; G768-I771 PolarHBondContact N-O 3.02Å; G768-I771 PolarHBondContact O-N 2.96Å; G768-I771 VanDerWaalsContact O-O 3.07Å
769S74.6Confident84.8Confident126 Ų12651.3 Ų51.388%0.88126%0.26SS*.THydrogen-bonded Turntrans-61.3-22.1-179.356.50000114.3
770Q82Confident84.2Confident120 Ų12058.8 Ų58.856%0.56129%0.288SS*.THydrogen-bonded Turntrans-103.3-12-178.5-68.2-176.3-15.300114.2F739 R740 G768F739-Q770 CarbonylContact C-O 3.28Å; F739-Q770 VanDerWaalsContact CA-O 3.31Å; F739-Q770 WeakPolarHBondContact CA-O 3.11Å; R740-Q770 PolarHBondContact N-O 3.15Å; G768-Q770 PolarHBondContact O-N 2.97Å; G768-Q770 VanDerWaalsContact O-N 3.1Å
771I88.3Confident84Confident25 Ų2558.4 Ų58.413%0.12828%0.284CS..EExtended strand (participates in β ladder)trans-126.9116.6-174.2-62.2162000108.8R740 L742 V766 G768 F940R740-I771 HydrophobicContact CB-CG1 4.43Å; R740-I771 WeakPolarHBondContact O-CA 3.42Å; L742-I771 HydrophobicContact CD1-CG2 4.06Å; L742-I771 HydrophobicContact CG-CG2 4.31Å; V766-I771 HydrophobicContact CG1-CD1 4.25Å; V766-I771 VanDerWaalsContact O-CD1 3.27Å; V766-I771 WeakPolarHBondContact O-CD1 3.45Å; G768-I771 PolarHBondContact N-O 3.02Å; G768-I771 PolarHBondContact O-N 2.96Å; G768-I771 VanDerWaalsContact O-O 3.07Å; I771-F940 HydrophobicContact CD1-CD1 4.4Å; I771-F940 HydrophobicContact CD1-CE1 3.4Å; I771-F940 VanDerWaalsContact CD1-CE1 3.4Å; I771-F940 HydrophobicContact CD1-CZ 3.74Å; I771-F940 HydrophobicContact CG1-CE1 4.33Å
772Q88.1Confident83.7Confident24 Ų2452.6 Ų52.611%0.11226%0.261CS..EExtended strand (participates in β ladder)trans-114.4150.1-178.8-170.659.136.800111.1T718 P719 L731 F739 R740 L741 L742T718-Q772 VanDerWaalsContact CB-OE1 3.31Å; T718-Q772 PolarHBondContact OG1-OE1 3.43Å; T718-Q772 VanDerWaalsContact OG1-OE1 3.08Å; P719-Q772 PolarHBondContact O-NE2 2.7Å; L731-Q772 HydrophobicContact CD2-CG 4.44Å; F739-Q772 HydrophobicContact CE1-CB 4.47Å; F739-Q772 HydrophobicContact CE2-CB 3.65Å; F739-Q772 HydrophobicContact CZ-CB 3.39Å; F739-Q772 HydrophobicContact CZ-CG 4.19Å; R740-Q772 PolarHBondContact O-N 3.29Å; L741-Q772 WeakPolarHBondContact CA-O 3.15Å; L741-Q772 HydrophobicContact CD1-CB 4.12Å; L741-Q772 HydrophobicContact CD1-CG 4.31Å; L742-Q772 PolarHBondContact N-O 2.89Å
773R91.8Very high83.3Confident5 Ų551.8 Ų51.82%0.01927%0.266CS..EExtended strand (participates in β ladder)trans-105.9138.2177.9-66.4163.2-69.21796.6110.6T718 I720 V721 L742 F759 D760 T763 C767T718-R773 PolarHBondContact O-NH2 3.12Å; I720-R773 HydrophobicContact CG1-CB 4.04Å; V721-R773 PolarHBondContact N-O 3.17Å; L742-R773 CarbonylContact O-C 3.51Å; L742-R773 WeakPolarHBondContact O-CA 3.45Å; F759-R773 HydrophobicContact CE1-CB 4.13Å; F759-R773 HydrophobicContact CE1-CG 4.25Å; D760-R773 IonicContact OD1-CZ 2.8Å; D760-R773 IonicContact OD1-NH1 3.35Å; D760-R773 PolarHBondContact OD1-NH1 3.5Å; D760-R773 IonicContact OD1-NH2 3.45Å; T763-R773 WeakPolarHBondContact OG1-CD 3.5Å; C767-R773 WeakPolarHBondContact SG-CD 3.43Å; C767-R773 WeakPolarHBondContact SG-CG 3.29Å; C767-R773 PolarHBondContact SG-NE 3.45Å; C767-R773 VanDerWaalsContact SG-NE 3.41Å
774A91.4Very high83.2Confident0 Ų051.9 Ų51.90%027%0.266CS..EExtended strand (participates in β ladder)trans-139.8162.6172.600000113.5V721 L723 L741 L742 V743 L744V721-A774 CarbonylContact O-C 3.53Å; V721-A774 WeakPolarHBondContact O-CA 3.34Å; V721-A774 VanDerWaalsContact O-CB 3.23Å; V721-A774 WeakPolarHBondContact O-CB 3.26Å; L723-A774 HydrophobicContact CB-CB 4.25Å; L741-A774 HydrophobicContact CD1-CB 3.89Å; L741-A774 HydrophobicContact CG-CB 4.42Å; L742-A774 PolarHBondContact O-N 3.06Å; V743-A774 CarbonylContact C-O 3.46Å; V743-A774 VanDerWaalsContact CA-O 3.31Å; V743-A774 WeakPolarHBondContact CA-O 3.41Å; L744-A774 PolarHBondContact N-O 3.07Å
775C91.8Very high83.2Confident12 Ų1246.4 Ų46.48%0.08125%0.245CC..EExtended strand (participates in β ladder)trans-120.2136172.6-72.80000110.3I720 V721 L723 L744 V746I720-C775 HydrophobicContact CG2-CB 4.4Å; I720-C775 VanDerWaalsContact CG2-SG 3.5Å; V721-C775 PolarHBondContact O-N 2.9Å; L723-C775 PolarHBondContact N-O 3.01Å; L744-C775 CarbonylContact O-C 3.55Å; L744-C775 WeakPolarHBondContact O-CA 3.45Å; V746-C775 HydrophobicContact CG2-CB 4.46Å
776L90.1Very high83.1Confident1 Ų136 Ų361%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-112.3133.9176.4-176.272.1000110L723 V743 L744 V746 M778 Y781 W784 L956L723-L776 HydrophobicContact CB-CD1 4.25Å; L723-L776 HydrophobicContact CD2-CD1 4.12Å; L723-L776 HydrophobicContact CG-CD1 4.31Å; V743-L776 HydrophobicContact CG1-CB 3.54Å; L744-L776 PolarHBondContact O-N 3.42Å; V746-L776 PolarHBondContact N-O 2.91Å; L776-M778 HydrophobicContact CD2-SD 4.45Å; L776-Y781 HydrophobicContact CD1-CD2 3.62Å; L776-Y781 HydrophobicContact CD1-CG 3.98Å; L776-Y781 HydrophobicContact CG-CD2 4.46Å; L776-W784 HydrophobicContact CD2-CE3 3.78Å; L776-W784 HydrophobicContact CD2-CZ3 3.97Å; L776-L956 HydrophobicContact CD1-CD2 3.81Å; L776-L956 HydrophobicContact CD1-CG 4.44Å
777S87.3Confident83.1Confident17 Ų1737.5 Ų37.512%0.11921%0.21CC..EExtended strand (participates in β ladder)trans-86.6114.3174.7175.90000110.5V746 R747 D779 R780 Y781V746-S777 CarbonylContact O-C 3.55Å; V746-S777 VanDerWaalsContact O-CA 3.31Å; V746-S777 WeakPolarHBondContact O-CA 3.26Å; R747-S777 PolarHBondContact O-OG 3.31Å; S777-D779 VanDerWaalsContact C-N 3.28Å; S777-D779 PolarHBondContact O-N 3.25Å; S777-R780 PolarHBondContact O-N 2.8Å; S777-Y781 PolarHBondContact O-N 3.22Å
778M84.6Confident83.3Confident0 Ų036.2 Ų36.20%020%0.202CC..Hα-helixtrans-68.9-26.3177.4-67.8-52.4-59.100112.7C745 V746 L776 R780 S782 L785 P828 C831C745-M778 HydrophobicContact CB-CG 3.78Å; C745-M778 HydrophobicContact CB-SD 3.69Å; V746-M778 PolarHBondContact O-N 3.38Å; L776-M778 HydrophobicContact CD2-SD 4.45Å; M778-R780 VanDerWaalsContact C-N 3.29Å; M778-R780 PolarHBondContact O-N 3.01Å; M778-S782 WeakPolarHBondContact O-CB 3.49Å; M778-S782 PolarHBondContact O-N 2.99Å; M778-S782 PolarHBondContact O-OG 3.19Å; M778-L785 HydrophobicContact CE-CB 4.31Å; M778-L785 HydrophobicContact CE-CD2 3.59Å; M778-L785 HydrophobicContact SD-CD2 4.23Å; M778-P828 HydrophobicContact CB-CB 4.19Å; M778-C831 HydrophobicContact CE-CB 3.67Å; M778-C831 HydrophobicContact CG-CB 4.26Å; M778-C831 HydrophobicContact SD-CB 4.3Å
779D77.1Confident83.4Confident88 Ų8834.9 Ų34.947%0.47119%0.185SC..Hα-helixtrans-67.2-30.7175.1-75.5-7.3000112.3R747 S777R747-D779 VanDerWaalsContact CG-OD1 3.26Å; R747-D779 WeakPolarHBondContact CG-OD1 3.47Å; R747-D779 WeakPolarHBondContact CG-OD2 3.41Å; R747-D779 VanDerWaalsContact O-OD2 3.09Å; S777-D779 VanDerWaalsContact C-N 3.28Å; S777-D779 PolarHBondContact O-N 3.25Å
780R78.7Confident83.4Confident157 Ų15733.1 Ų33.159%0.59216%0.163SC*.Hα-helixtrans-101.7-34.1-179-68-164.8-68.3-100.83114.4S777 M778S777-R780 PolarHBondContact O-N 2.8Å; M778-R780 VanDerWaalsContact C-N 3.29Å; M778-R780 PolarHBondContact O-N 3.01Å
781Y82.9Confident83Confident20 Ų2030.1 Ų30.18%0.07816%0.156CC..Hα-helixtrans-127.525.3-166.8-49.6-59.8000112.9P725 L776 S777 G783 W784 L956 L957P725-Y781 WeakPolarHBondContact CD-OH 3.35Å; P725-Y781 HydrophobicContact CG-CE1 4.43Å; L776-Y781 HydrophobicContact CD1-CD2 3.62Å; L776-Y781 HydrophobicContact CD1-CG 3.98Å; L776-Y781 HydrophobicContact CG-CD2 4.46Å; S777-Y781 PolarHBondContact O-N 3.22Å; Y781-G783 PolarHBondContact O-N 3.22Å; Y781-W784 WeakPolarHBondContact O-CB 3.28Å; Y781-W784 PolarHBondContact O-N 2.83Å; Y781-L956 HydrophobicContact CD1-CB 4.34Å; Y781-L956 HydrophobicContact CD1-CD2 3.64Å; Y781-L956 HydrophobicContact CD1-CG 4.07Å; Y781-L956 HydrophobicContact CD2-CD2 3.61Å; Y781-L956 HydrophobicContact CE1-CD2 3.83Å; Y781-L956 HydrophobicContact CE2-CD2 3.77Å; Y781-L956 HydrophobicContact CG-CD2 3.54Å; Y781-L956 HydrophobicContact CG-CG 4.15Å; Y781-L957 HydrophobicContact CE1-CD2 4.36Å; Y781-L957 HydrophobicContact CE1-CG 4.23Å
782S79.3Confident82.1Confident13 Ų1330.9 Ų30.99%0.09116%0.161CC..Hα-helixtrans-57.4-33.2170.834.50000111.9M778 W784 L785 A786 I800M778-S782 WeakPolarHBondContact O-CB 3.49Å; M778-S782 PolarHBondContact O-N 2.99Å; M778-S782 PolarHBondContact O-OG 3.19Å; S782-W784 VanDerWaalsContact C-N 3.3Å; S782-W784 PolarHBondContact O-N 2.78Å; S782-L785 PolarHBondContact O-N 3.34Å; S782-L785 VanDerWaalsContact O-N 3.16Å; S782-A786 PolarHBondContact O-N 3.3Å; S782-A786 VanDerWaalsContact O-N 3.13Å; S782-I800 WeakPolarHBondContact O-CD1 3.5Å
783G76Confident81Confident29 Ų2934.5 Ų34.530%0.29917%0.174SC..Hα-helixtrans-47-48.8171.300000113.6Y781 L785 A786 K787 I800Y781-G783 PolarHBondContact O-N 3.22Å; G783-L785 PolarHBondContact O-N 2.99Å; G783-A786 PolarHBondContact O-N 3.24Å; G783-K787 PolarHBondContact O-N 2.98Å; G783-I800 VanDerWaalsContact N-CD1 3.27Å
784W85Confident79.5Confident1 Ų139.6 Ų39.60%0.00421%0.207CC..Hα-helixtrans-63.8-42.3-178.6-176.782.1000112.3L723 Y728 L776 Y781 S782 A786 K787 L788 I836 V838 L956L723-W784 HydrophobicContact CD2-CH2 4.47Å; Y728-W784 AromaticContact CE2-CE2 3.79Å; Y728-W784 AromaticContact CE2-CZ2 3.87Å; Y728-W784 HydrophobicContact CE2-CZ2 3.87Å; Y728-W784 AromaticContact CE2-NE1 3.31Å; Y728-W784 VanDerWaalsContact CE2-NE1 3.31Å; Y728-W784 AromaticContact CZ-NE1 3.62Å; Y728-W784 PolarHBondContact OH-NE1 2.88Å; L776-W784 HydrophobicContact CD2-CE3 3.78Å; L776-W784 HydrophobicContact CD2-CZ3 3.97Å; Y781-W784 WeakPolarHBondContact O-CB 3.28Å; Y781-W784 PolarHBondContact O-N 2.83Å; S782-W784 VanDerWaalsContact C-N 3.3Å; S782-W784 PolarHBondContact O-N 2.78Å; W784-A786 VanDerWaalsContact C-N 3.35Å; W784-A786 PolarHBondContact O-N 2.97Å; W784-K787 PolarHBondContact O-N 3.46Å; W784-L788 HydrophobicContact CD2-CD1 4.08Å; W784-L788 HydrophobicContact CD2-CG 4.32Å; W784-L788 HydrophobicContact CE3-CD1 3.77Å; W784-L788 HydrophobicContact CE3-CG 4.43Å; W784-L788 HydrophobicContact CH2-CD1 3.4Å; W784-L788 VanDerWaalsContact CH2-CD1 3.4Å; W784-L788 HydrophobicContact CH2-CG 4.43Å; W784-L788 HydrophobicContact CZ2-CD1 3.69Å; W784-L788 HydrophobicContact CZ2-CD2 4.29Å; W784-L788 HydrophobicContact CZ2-CG 4.28Å; W784-L788 HydrophobicContact CZ3-CD1 3.42Å; W784-L788 VanDerWaalsContact CZ3-CD1 3.42Å; W784-L788 HydrophobicContact CZ3-CG 4.48Å; W784-L788 WeakPolarHBondContact O-CG 3.28Å; W784-L788 PolarHBondContact O-N 3.37Å; W784-I836 HydrophobicContact CZ3-CD1 4.1Å; W784-V838 HydrophobicContact CH2-CG2 4.47Å; W784-L956 HydrophobicContact CD2-CD1 4.16Å; W784-L956 HydrophobicContact CG-CD1 4.12Å; W784-L956 HydrophobicContact CG-CG 4.33Å
785L84Confident78Confident2 Ų247 Ų471%0.0125%0.247CC..Hα-helixtrans-64.2-39.4176.9-178.460.9000111.9M778 S782 G783 L788 L789 C831 I836M778-L785 HydrophobicContact CE-CB 4.31Å; M778-L785 HydrophobicContact CE-CD2 3.59Å; M778-L785 HydrophobicContact SD-CD2 4.23Å; S782-L785 PolarHBondContact O-N 3.34Å; S782-L785 VanDerWaalsContact O-N 3.16Å; G783-L785 PolarHBondContact O-N 2.99Å; L785-L788 PolarHBondContact O-N 3.43Å; L785-L789 HydrophobicContact CG-CD1 4.26Å; L785-L789 WeakPolarHBondContact O-CG 3.4Å; L785-L789 PolarHBondContact O-N 3.46Å; L785-L789 VanDerWaalsContact O-N 3.14Å; L785-C831 HydrophobicContact CD2-CB 4.44Å; L785-I836 HydrophobicContact CD1-CD1 3.68Å
786A78Confident76.4Confident7 Ų748.1 Ų48.16%0.05825%0.252CS..Hα-helixtrans-63.3-47.9176.400000111.9S782 G783 W784 L788 L789 E790 I798 I800S782-A786 PolarHBondContact O-N 3.3Å; S782-A786 VanDerWaalsContact O-N 3.13Å; G783-A786 PolarHBondContact O-N 3.24Å; W784-A786 VanDerWaalsContact C-N 3.35Å; W784-A786 PolarHBondContact O-N 2.97Å; A786-L788 VanDerWaalsContact C-N 3.28Å; A786-L788 PolarHBondContact O-N 3.34Å; A786-L789 PolarHBondContact O-N 3.45Å; A786-L789 VanDerWaalsContact O-N 3.08Å; A786-E790 WeakPolarHBondContact O-CB 3.17Å; A786-E790 PolarHBondContact O-N 2.87Å; A786-I798 HydrophobicContact CB-CB 4.45Å; A786-I798 HydrophobicContact CB-CG2 3.63Å; A786-I800 HydrophobicContact CB-CD1 3.49Å; A786-I800 VanDerWaalsContact CB-CD1 3.49Å; A786-I800 HydrophobicContact CB-CG1 3.9Å
787K79.2Confident74.9Confident74 Ų7450.7 Ų50.732%0.32227%0.269SS..Hα-helixtrans-59.9-36.9176.7-70.8-171.6-177.7-173.90112.1G783 W784 E790 S791 P953 G958G783-K787 PolarHBondContact O-N 2.98Å; W784-K787 PolarHBondContact O-N 3.46Å; K787-E790 PolarHBondContact O-N 2.93Å; K787-S791 WeakPolarHBondContact O-CB 3.08Å; K787-S791 PolarHBondContact O-N 2.79Å; K787-P953 HydrophobicContact CB-CG 4.48Å; K787-G958 PolarHBondContact NZ-O 3.04Å; K787-G958 VanDerWaalsContact NZ-O 3.1Å
788L82.6Confident73.7Confident0 Ų051 Ų510%027%0.269CS..Hα-helixtrans-61-46.4173.4-71.9-176.8000112W784 L785 A786 S791 T792 F845 I949 W952 P953W784-L788 HydrophobicContact CD2-CD1 4.08Å; W784-L788 HydrophobicContact CD2-CG 4.32Å; W784-L788 HydrophobicContact CE3-CD1 3.77Å; W784-L788 HydrophobicContact CE3-CG 4.43Å; W784-L788 HydrophobicContact CH2-CD1 3.4Å; W784-L788 VanDerWaalsContact CH2-CD1 3.4Å; W784-L788 HydrophobicContact CH2-CG 4.43Å; W784-L788 HydrophobicContact CZ2-CD1 3.69Å; W784-L788 HydrophobicContact CZ2-CD2 4.29Å; W784-L788 HydrophobicContact CZ2-CG 4.28Å; W784-L788 HydrophobicContact CZ3-CD1 3.42Å; W784-L788 VanDerWaalsContact CZ3-CD1 3.42Å; W784-L788 HydrophobicContact CZ3-CG 4.48Å; W784-L788 WeakPolarHBondContact O-CG 3.28Å; W784-L788 PolarHBondContact O-N 3.37Å; L785-L788 PolarHBondContact O-N 3.43Å; A786-L788 VanDerWaalsContact C-N 3.28Å; A786-L788 PolarHBondContact O-N 3.34Å; L788-S791 PolarHBondContact O-N 2.86Å; L788-S791 PolarHBondContact O-OG 3.2Å; L788-T792 WeakPolarHBondContact O-CG2 3.37Å; L788-T792 PolarHBondContact O-N 3.37Å; L788-F845 HydrophobicContact CB-CE1 4.32Å; L788-F845 HydrophobicContact CB-CZ 4.28Å; L788-I949 HydrophobicContact CD2-CD1 3.43Å; L788-I949 VanDerWaalsContact CD2-CD1 3.43Å; L788-W952 HydrophobicContact CD2-CE3 3.87Å; L788-W952 HydrophobicContact CD2-CZ3 3.6Å; L788-P953 HydrophobicContact CD2-CG 4.41Å
789L78.1Confident72.4Confident11 Ų1156.8 Ų56.86%0.05830%0.296CS..Hα-helixtrans-67.1-41-179.9-67.1166.9000111.4L785 A786 S791 T792 R793 I798 I826 F890L785-L789 HydrophobicContact CG-CD1 4.26Å; L785-L789 WeakPolarHBondContact O-CG 3.4Å; L785-L789 PolarHBondContact O-N 3.46Å; L785-L789 VanDerWaalsContact O-N 3.14Å; A786-L789 PolarHBondContact O-N 3.45Å; A786-L789 VanDerWaalsContact O-N 3.08Å; L789-S791 PolarHBondContact O-N 3.4Å; L789-T792 PolarHBondContact O-N 3.5Å; L789-T792 PolarHBondContact O-OG1 3.2Å; L789-R793 PolarHBondContact O-N 2.89Å; L789-I798 HydrophobicContact CB-CD1 3.43Å; L789-I798 VanDerWaalsContact CB-CD1 3.43Å; L789-I798 HydrophobicContact CD1-CD1 4.46Å; L789-I826 HydrophobicContact CD1-CD1 3.53Å; L789-F890 HydrophobicContact CD1-CE1 3.68Å; L789-F890 HydrophobicContact CD1-CZ 4.25Å; L789-F890 HydrophobicContact CD2-CD1 4.07Å; L789-F890 HydrophobicContact CD2-CE1 3.93Å; L789-F890 HydrophobicContact CG-CE1 4.48Å
790E74.9Confident71.4Confident89 Ų8954.8 Ų54.842%0.41629%0.285SS..Hα-helixtrans-61.2-42.5176-171.3176.3-166.600111.7A786 K787 T792 R793 I798A786-E790 WeakPolarHBondContact O-CB 3.17Å; A786-E790 PolarHBondContact O-N 2.87Å; K787-E790 PolarHBondContact O-N 2.93Å; E790-T792 PolarHBondContact O-N 3.37Å; E790-T792 VanDerWaalsContact O-N 3.11Å; E790-R793 CarbonylContact O-C 3.59Å; E790-R793 PolarHBondContact O-N 3.39Å; E790-I798 HydrophobicContact CB-CD1 4.41Å
791S73Confident70.1Confident58 Ų5854.8 Ų54.841%0.40629%0.285SS..Hα-helixtrans-60.9-24.3177.8760000113.8K787 L788 L789K787-S791 WeakPolarHBondContact O-CB 3.08Å; K787-S791 PolarHBondContact O-N 2.79Å; L788-S791 PolarHBondContact O-N 2.86Å; L788-S791 PolarHBondContact O-OG 3.2Å; L789-S791 PolarHBondContact O-N 3.4Å
792T69.5Low68.3Low40 Ų4056.5 Ų56.525%0.24530%0.299CS..Hα-helixtrans-86.6-24.8178.866.70000112.7L788 L789 E790 F845 Y947L788-T792 WeakPolarHBondContact O-CG2 3.37Å; L788-T792 PolarHBondContact O-N 3.37Å; L789-T792 PolarHBondContact O-N 3.5Å; L789-T792 PolarHBondContact O-OG1 3.2Å; E790-T792 PolarHBondContact O-N 3.37Å; E790-T792 VanDerWaalsContact O-N 3.11Å; T792-F845 HydrophobicContact CG2-CE1 3.62Å; T792-F845 HydrophobicContact CG2-CZ 3.83Å; T792-Y947 HydrophobicContact CG2-CD1 4.17Å; T792-Y947 HydrophobicContact CG2-CG 4.26Å
793R66Low66.5Low101 Ų10160.9 Ų60.938%0.38132%0.322SS..  trans-141.891.9-179.1-74.2-170.2172.9171.60.4109.8L789 E790 N795 L796 R888L789-R793 PolarHBondContact O-N 2.89Å; E790-R793 CarbonylContact O-C 3.59Å; E790-R793 PolarHBondContact O-N 3.39Å; R793-N795 PolarHBondContact O-N 2.85Å; R793-L796 HydrophobicContact CB-CB 4.08Å; R793-L796 PolarHBondContact O-N 2.84Å; R793-L796 VanDerWaalsContact O-N 3.07Å; R793-R888 PolarHBondContact NH1-O 2.86Å
794P60.5Low64.7Low111 Ų11168.3 Ų68.372%0.72135%0.346SS*.THydrogen-bonded Turntrans-62.2-18.4-175.523.2-33.4000114.2
795N58.9Low62.5Low157 Ų15772 Ų7284%0.8437%0.369SS*.THydrogen-bonded Turntrans-94.75-179.6-65.2-10.3000114R793 P797R793-N795 PolarHBondContact O-N 2.85Å; N795-P797 WeakPolarHBondContact O-CD 3.5Å
796L59.3Low60.1Low35 Ų3579.4 Ų79.418%0.18341%0.405CS..  trans-105.291.6177.1-174.166.6000108.3R793 I798 L824 A889R793-L796 HydrophobicContact CB-CB 4.08Å; R793-L796 PolarHBondContact O-N 2.84Å; R793-L796 VanDerWaalsContact O-N 3.07Å; L796-I798 HydrophobicContact CD2-CD1 4.36Å; L796-I798 HydrophobicContact CG-CG1 4.23Å; L796-I798 WeakPolarHBondContact O-CG1 3.45Å; L796-I798 PolarHBondContact O-N 2.98Å; L796-L824 HydrophobicContact CD1-CB 4.18Å; L796-L824 HydrophobicContact CD2-CD2 4.11Å; L796-L824 HydrophobicContact CG-CB 4.42Å; L796-A889 HydrophobicContact CD2-CB 4.09Å
797P57.8Low58Low55 Ų5588 Ų8836%0.35744%0.444SS..  trans-67.2131.1176.422.5-26.4000109.4N795 G822 V823 L824N795-P797 WeakPolarHBondContact O-CD 3.5Å; P797-G822 WeakPolarHBondContact CD-O 3.33Å; P797-G822 VanDerWaalsContact CG-O 3.29Å; P797-G822 WeakPolarHBondContact CG-O 3.3Å; P797-V823 HydrophobicContact CB-CG2 4.08Å; P797-V823 HydrophobicContact CG-CB 4.47Å; P797-V823 HydrophobicContact CG-CG2 3.97Å; P797-V823 CarbonylContact O-C 3.57Å; P797-V823 WeakPolarHBondContact O-CA 3.2Å; P797-L824 PolarHBondContact O-N 2.95Å
798I62.6Low55.7Low22 Ų2293.2 Ų93.211%0.11347%0.467CS..EExtended strand (participates in β ladder)trans-123.5127.5-175.1-62.7170.5000109.4A786 L789 E790 L796 L824 I826A786-I798 HydrophobicContact CB-CB 4.45Å; A786-I798 HydrophobicContact CB-CG2 3.63Å; L789-I798 HydrophobicContact CB-CD1 3.43Å; L789-I798 VanDerWaalsContact CB-CD1 3.43Å; L789-I798 HydrophobicContact CD1-CD1 4.46Å; E790-I798 HydrophobicContact CB-CD1 4.41Å; L796-I798 HydrophobicContact CD2-CD1 4.36Å; L796-I798 HydrophobicContact CG-CG1 4.23Å; L796-I798 WeakPolarHBondContact O-CG1 3.45Å; L796-I798 PolarHBondContact O-N 2.98Å; I798-L824 VanDerWaalsContact CA-O 3.32Å; I798-L824 WeakPolarHBondContact CA-O 3.26Å; I798-L824 HydrophobicContact CG1-CB 4.26Å; I798-L824 HydrophobicContact CG1-CD2 4.23Å; I798-I826 HydrophobicContact CG2-CD1 3.43Å; I798-I826 VanDerWaalsContact CG2-CD1 3.43Å; I798-I826 HydrophobicContact CG2-CG1 3.79Å
799H57.6Low53.1Low123 Ų123100.2 Ų100.257%0.56950%0.504SS*.EExtended strand (participates in β ladder)trans-120.5142.1173.2-126.1-45.8000111.3V823 L824 F825 I826H799-V823 HydrophobicContact CB-CG1 3.96Å; H799-L824 PolarHBondContact N-O 3.42Å; H799-F825 HydrophobicContact CB-CD1 3.85Å; H799-F825 HydrophobicContact CB-CE1 3.76Å; H799-F825 WeakPolarHBondContact O-CA 3.38Å; H799-I826 PolarHBondContact O-N 2.97Å; H799-I826 VanDerWaalsContact O-N 3.09Å
800I54.6Low50.6Low46 Ų46111.2 Ų111.224%0.23655%0.545CS..EExtended strand (participates in β ladder)trans-104.2130.8176.9-64148.9000110.1S782 G783 A786 P828S782-I800 WeakPolarHBondContact O-CD1 3.5Å; G783-I800 VanDerWaalsContact N-CD1 3.27Å; A786-I800 HydrophobicContact CB-CD1 3.49Å; A786-I800 VanDerWaalsContact CB-CD1 3.49Å; A786-I800 HydrophobicContact CB-CG1 3.9Å; I800-P828 HydrophobicContact CG2-CG 4.39Å
801R51.8Low48.3Very low157 Ų157113.5 Ų113.559%0.59256%0.56SS**  trans-97.9109.3169.6-161.3175.6-161.5179.34.1109.6
802S46.7Very low46.3Very low55 Ų55116.5 Ų116.539%0.38558%0.576SS.*  trans-80.5140.7170.8130.90000110K804 T805S802-K804 PolarHBondContact O-N 3.02Å; S802-K804 PolarHBondContact OG-N 3.34Å; S802-T805 PolarHBondContact O-N 3Å; S802-T805 PolarHBondContact O-OG1 2.81Å
803N40.6Very low44.3Very low105 Ų105121.3 Ų121.356%0.56160%0.6SS**G310 helixtrans-59-17.9177.9-85.6-20.6000113.6T805 M806N803-T805 PolarHBondContact O-N 3.19Å; N803-M806 PolarHBondContact O-N 3.49Å; N803-M806 VanDerWaalsContact O-N 3.14Å
804K38.8Very low42.4Very low185 Ų185124.3 Ų124.380%0.80462%0.623SS**G310 helixtrans-62.7-28.4178.5-68.7-175.6178.4177.40112.3S802 M806 Q807S802-K804 PolarHBondContact O-N 3.02Å; S802-K804 PolarHBondContact OG-N 3.34Å; K804-M806 PolarHBondContact O-N 2.89Å; K804-Q807 PolarHBondContact O-N 3.48Å
805T37.1Very low40.8Very low80 Ų80125 Ų12549%0.49163%0.626SS.*G310 helixtrans-75.7-9.3178.859.50000113.5S802 N803 Q807S802-T805 PolarHBondContact O-N 3Å; S802-T805 PolarHBondContact O-OG1 2.81Å; N803-T805 PolarHBondContact O-N 3.19Å; T805-Q807 PolarHBondContact O-N 2.76Å
806M35.1Very low39.4Very low157 Ų157123.5 Ų123.577%0.77362%0.623SS**G310 helixtrans-67.6-19172.3-83-153.497.900113.1N803 K804N803-M806 PolarHBondContact O-N 3.49Å; N803-M806 VanDerWaalsContact O-N 3.14Å; K804-M806 PolarHBondContact O-N 2.89Å
807Q33.6Very low38.1Very low188 Ų188128.8 Ų128.888%0.87965%0.651SS**THydrogen-bonded Turntrans-99.4-14.9-177.6-84.5-176.8-1.700115.6K804 T805K804-Q807 PolarHBondContact O-N 3.48Å; T805-Q807 PolarHBondContact O-N 2.76Å
808K30Very low36.7Very low183 Ų183133.8 Ų133.880%0.79668%0.675SS**THydrogen-bonded Turntrans-101-21.1-172.1-101-174.2174.3-175.60117.4
809N28.9Very low35.2Very low147 Ų147139.8 Ų139.879%0.78671%0.707SS**  trans-110.776-177.6-70.84.3000111.8
810R25.8Very low34Very low241 Ų241139.1 Ų139.191%0.90971%0.708SS**  trans-97.15.5157.8-102.7-174.1-179.6173.20.7113
811N26.7Very low33.3Very low138 Ų138143.1 Ų143.174%0.73874%0.74SS**SBendtrans-124.7120.2-174.7-75.4-12.7000111.8
812V30.9Very low32.8Very low120 Ų120137.8 Ų137.873%0.72773%0.734SS**  trans69.4105.8139.8-171.70000117.6
813N26.9Very low32.8Very low141 Ų141136.6 Ų136.675%0.75472%0.724SS**  trans35.690.2135.6-51.3-11.9000118
814D26.9Very low33.4Very low164 Ų164131.9 Ų131.988%0.87770%0.699SS**  trans-128.995.9143.3-90.8-35000109.3T816D814-T816 PolarHBondContact O-N 3.22Å
815T26.5Very low34.6Very low126 Ų126126.9 Ų126.977%0.77368%0.677SS**  trans-77.1101.1162.545.70000107.6
816T30.1Very low35.7Very low126 Ų126123.3 Ų123.377%0.77366%0.655SS**  trans167.182.815134.80000110.4D814D814-T816 PolarHBondContact O-N 3.22Å
817D30.7Very low37.4Very low145 Ų145118.8 Ų118.878%0.77563%0.634SS**  trans-153.755.1158.1-99.7-22.7000110.1N819D817-N819 VanDerWaalsContact C-N 3.32Å; D817-N819 PolarHBondContact O-N 3.46Å
818N29.3Very low39Very low161 Ų161110.3 Ų110.386%0.86160%0.596SS**THydrogen-bonded Turntrans-88.917.9-174.9-108.8-4.9000114.4
819N30.7Very low40.9Very low148 Ų148104.6 Ų104.679%0.79158%0.576SS**THydrogen-bonded Turntrans-125.60.2-175-83.9-17.8000116.9D817 S821D817-N819 VanDerWaalsContact C-N 3.32Å; D817-N819 PolarHBondContact O-N 3.46Å; N819-S821 VanDerWaalsContact C-N 3.27Å; N819-S821 PolarHBondContact O-N 3.44Å
820N32.3Very low43Very low109 Ų10998.3 Ų98.358%0.58354%0.542SS*.  trans-89.545.6-175.6-85.1-6.8000114.5G822 V823N820-G822 PolarHBondContact O-N 3.34Å; N820-V823 HydrophobicContact CB-CG2 3.71Å; N820-V823 PolarHBondContact O-N 3.36Å
821S39.7Very low45.3Very low129 Ų12986.9 Ų86.990%0.90250%0.499SS*.THydrogen-bonded Turntrans-63.4-5.7177.762.30000115.1N819N819-S821 VanDerWaalsContact C-N 3.27Å; N819-S821 PolarHBondContact O-N 3.44Å
822G41.1Very low47.8Very low46 Ų4681.2 Ų81.247%0.47447%0.469SS..THydrogen-bonded Turntrans-96.6-5.4177.100000115.9P797 N820P797-G822 WeakPolarHBondContact CD-O 3.33Å; P797-G822 VanDerWaalsContact CG-O 3.29Å; P797-G822 WeakPolarHBondContact CG-O 3.3Å; N820-G822 PolarHBondContact O-N 3.34Å
823V48.2Very low50.2Low30 Ų3075.5 Ų75.518%0.18244%0.435CS..  trans-88120.6-169.5-172.10000112.1P797 H799 N820 F825P797-V823 HydrophobicContact CB-CG2 4.08Å; P797-V823 HydrophobicContact CG-CB 4.47Å; P797-V823 HydrophobicContact CG-CG2 3.97Å; P797-V823 CarbonylContact O-C 3.57Å; P797-V823 WeakPolarHBondContact O-CA 3.2Å; H799-V823 HydrophobicContact CB-CG1 3.96Å; N820-V823 HydrophobicContact CB-CG2 3.71Å; N820-V823 PolarHBondContact O-N 3.36Å; V823-F825 HydrophobicContact CG1-CE1 4.38Å; V823-F825 HydrophobicContact CG1-CZ 4.29Å
824L53.2Low53Low5 Ų568.8 Ų68.83%0.02640%0.399CS..EExtended strand (participates in β ladder)trans-82.7115.3173.5-179.177000110.1L796 P797 I798 H799 I826 I885 F886 A889L796-L824 HydrophobicContact CD1-CB 4.18Å; L796-L824 HydrophobicContact CD2-CD2 4.11Å; L796-L824 HydrophobicContact CG-CB 4.42Å; P797-L824 PolarHBondContact O-N 2.95Å; I798-L824 VanDerWaalsContact CA-O 3.32Å; I798-L824 WeakPolarHBondContact CA-O 3.26Å; I798-L824 HydrophobicContact CG1-CB 4.26Å; I798-L824 HydrophobicContact CG1-CD2 4.23Å; H799-L824 PolarHBondContact N-O 3.42Å; L824-I826 HydrophobicContact CD2-CG1 4.32Å; L824-I885 HydrophobicContact CD1-CG2 3.69Å; L824-F886 HydrophobicContact CD1-CD2 3.87Å; L824-F886 HydrophobicContact CD1-CE2 4.04Å; L824-A889 HydrophobicContact CD1-CB 4.33Å; L824-A889 HydrophobicContact CD2-CB 3.69Å
825F63Low56.1Low81 Ų8161 Ų6136%0.35536%0.357SS..EExtended strand (participates in β ladder)trans-86.3122.2172.4-65.5-74.5000111.5H799 V823H799-F825 HydrophobicContact CB-CD1 3.85Å; H799-F825 HydrophobicContact CB-CE1 3.76Å; H799-F825 WeakPolarHBondContact O-CA 3.38Å; V823-F825 HydrophobicContact CG1-CE1 4.38Å; V823-F825 HydrophobicContact CG1-CZ 4.29Å
826I60.8Low59.1Low4 Ų455 Ų552%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-98.8109.5173.5-60.8178.4000108.8L789 I798 H799 L824 P828 C831L789-I826 HydrophobicContact CD1-CD1 3.53Å; I798-I826 HydrophobicContact CG2-CD1 3.43Å; I798-I826 VanDerWaalsContact CG2-CD1 3.43Å; I798-I826 HydrophobicContact CG2-CG1 3.79Å; H799-I826 PolarHBondContact O-N 2.97Å; H799-I826 VanDerWaalsContact O-N 3.09Å; L824-I826 HydrophobicContact CD2-CG1 4.32Å; I826-P828 WeakPolarHBondContact O-CD 3.39Å; I826-C831 WeakPolarHBondContact CG2-SG 3.5Å
827N70Confident62.1Low62 Ų6249.1 Ų49.133%0.33229%0.285SS..  trans-79119.8168.8-178.8-5.5000109.1V829 N830N827-V829 PolarHBondContact O-N 3.09Å; N827-V829 WeakPolarHBondContact OD1-CB 3.49Å; N827-V829 WeakPolarHBondContact OD1-CG2 3.45Å; N827-V829 PolarHBondContact OD1-N 2.82Å; N827-N830 HydrophobicContact CB-CB 4.44Å; N827-N830 PolarHBondContact O-N 3.01Å
828P67.9Low65.1Low11 Ų1142.3 Ų42.37%0.07125%0.249CC..G310 helixtrans-53.3-29.7177.8-26.234.5000113.8M778 I800 I826 N830 C831M778-P828 HydrophobicContact CB-CB 4.19Å; I800-P828 HydrophobicContact CG2-CG 4.39Å; I826-P828 WeakPolarHBondContact O-CD 3.39Å; P828-N830 VanDerWaalsContact C-N 3.33Å; P828-N830 PolarHBondContact O-N 3.39Å; P828-C831 PolarHBondContact O-N 3.49Å
829V69.3Low68Low62 Ų6235 Ų3538%0.37621%0.209SC..G310 helixtrans-64.8-36.9177.7-179.20000111.7N827 C831 V832N827-V829 PolarHBondContact O-N 3.09Å; N827-V829 WeakPolarHBondContact OD1-CB 3.49Å; N827-V829 WeakPolarHBondContact OD1-CG2 3.45Å; N827-V829 PolarHBondContact OD1-N 2.82Å; V829-C831 PolarHBondContact O-N 2.97Å; V829-V832 WeakPolarHBondContact O-CG2 3.35Å; V829-V832 PolarHBondContact O-N 3.39Å
830N72.2Confident70.7Confident15 Ų1528 Ų288%0.0817%0.173CC..G310 helixtrans-74.3-17.4-179.8-64.3-9000111.9N827 P828 H849N827-N830 HydrophobicContact CB-CB 4.44Å; N827-N830 PolarHBondContact O-N 3.01Å; P828-N830 VanDerWaalsContact C-N 3.33Å; P828-N830 PolarHBondContact O-N 3.39Å; N830-H849 PolarHBondContact O-CE1 2.82Å
831C75.5Confident73.3Confident1 Ų128.2 Ų28.21%0.00717%0.166CC..G310 helixtrans-88.5-0.5-179.6-62.80000114C745 M778 L785 I826 P828 V829 G833 T834C745-C831 WeakPolarHBondContact CB-O 3.46Å; M778-C831 HydrophobicContact CE-CB 3.67Å; M778-C831 HydrophobicContact CG-CB 4.26Å; M778-C831 HydrophobicContact SD-CB 4.3Å; L785-C831 HydrophobicContact CD2-CB 4.44Å; I826-C831 WeakPolarHBondContact CG2-SG 3.5Å; P828-C831 PolarHBondContact O-N 3.49Å; V829-C831 PolarHBondContact O-N 2.97Å; C831-G833 PolarHBondContact O-N 3.27Å; C831-T834 WeakPolarHBondContact O-CB 3.4Å; C831-T834 PolarHBondContact O-N 3.23Å; C831-T834 PolarHBondContact O-OG1 3.39Å
832V79.1Confident75.7Confident19 Ų1929.6 Ų29.612%0.11515%0.152CC..THydrogen-bonded Turntrans-65.2131.6179.1177.90000110.3R747 L755 V829 T834R747-V832 HydrophobicContact CB-CG2 4.28Å; L755-V832 HydrophobicContact CD1-CG1 3.9Å; V829-V832 WeakPolarHBondContact O-CG2 3.35Å; V829-V832 PolarHBondContact O-N 3.39Å; V832-T834 VanDerWaalsContact C-N 3.29Å
833G81.3Confident78Confident0 Ų033.1 Ų33.10%015%0.15CC..THydrogen-bonded Turntrans84.2-1.3-176.800000114.6C745 C831C745-G833 PolarHBondContact O-N 2.79Å; C745-G833 VanDerWaalsContact O-N 3.1Å; C831-G833 PolarHBondContact O-N 3.27Å
834T86.1Confident80.1Confident1 Ų132.1 Ų32.11%0.00614%0.143CC..  trans-63.8135.2170.4-52.10000109.6C745 C831 V832 L847 Y848 H849C745-T834 WeakPolarHBondContact CB-O 3.31Å; C745-T834 PolarHBondContact N-O 3.14Å; C831-T834 WeakPolarHBondContact O-CB 3.4Å; C831-T834 PolarHBondContact O-N 3.23Å; C831-T834 PolarHBondContact O-OG1 3.39Å; V832-T834 VanDerWaalsContact C-N 3.29Å; T834-L847 HydrophobicContact CG2-CD1 3.51Å; T834-L847 HydrophobicContact CG2-CG 4.25Å; T834-Y848 CarbonylContact C-O 3.45Å; T834-Y848 VanDerWaalsContact CA-O 3.28Å; T834-Y848 WeakPolarHBondContact CA-O 2.93Å; T834-Y848 WeakPolarHBondContact CG2-O 3.44Å; T834-H849 HydrophobicContact CG2-CB 4.48Å; T834-H849 PolarHBondContact OG1-CE1 3.37Å; T834-H849 PolarHBondContact OG1-ND1 3.37Å
835V90.5Very high81.9Confident0 Ų031.9 Ų31.90%014%0.142CC..EExtended strand (participates in β ladder)trans-117.1131.4175.3177.10000109.8V743 L744 F759 Y848 L929 L932 W935V743-V835 CarbonylContact O-C 3.59Å; V743-V835 VanDerWaalsContact O-CA 3.31Å; V743-V835 WeakPolarHBondContact O-CA 3.46Å; L744-V835 HydrophobicContact CD1-CG2 3.75Å; F759-V835 HydrophobicContact CD2-CG2 4.17Å; F759-V835 HydrophobicContact CE2-CG1 3.99Å; F759-V835 HydrophobicContact CE2-CG2 3.96Å; V835-Y848 HydrophobicContact CB-CD1 4.06Å; V835-Y848 HydrophobicContact CG2-CD1 4.16Å; V835-Y848 PolarHBondContact N-O 3.43Å; V835-Y848 PolarHBondContact O-N 3.37Å; V835-L929 HydrophobicContact CG2-CD2 4.22Å; V835-L932 HydrophobicContact CB-CD1 3.91Å; V835-L932 HydrophobicContact CG1-CD1 3.98Å; V835-L932 HydrophobicContact CG2-CD1 3.77Å; V835-L932 HydrophobicContact CG2-CD2 4.27Å; V835-W935 HydrophobicContact CG1-CH2 4.34Å; V835-W935 HydrophobicContact CG1-CZ3 4Å
836I91.2Very high83.2Confident0 Ų028.4 Ų28.40%013%0.127CC..EExtended strand (participates in β ladder)trans-116.1123.4-179.7-48.2170.5000108.2V743 W784 L785 V838 F845 N846 L847V743-I836 HydrophobicContact CB-CB 4.29Å; V743-I836 PolarHBondContact N-O 3.02Å; V743-I836 PolarHBondContact O-N 3.3Å; W784-I836 HydrophobicContact CZ3-CD1 4.1Å; L785-I836 HydrophobicContact CD1-CD1 3.68Å; I836-V838 HydrophobicContact CG2-CG2 3.71Å; I836-F845 HydrophobicContact CG2-CB 4.1Å; I836-F845 HydrophobicContact CG2-CD2 3.92Å; I836-F845 HydrophobicContact CG2-CG 4.36Å; I836-N846 WeakPolarHBondContact CA-O 3.47Å; I836-L847 HydrophobicContact CG1-CD1 3.82Å
837A92.9Very high84.4Confident3 Ų329.3 Ų29.33%0.02513%0.132CC..EExtended strand (participates in β ladder)trans-99.5113.4170.300000109.6L741 L742 F845 N846 W935 L939L741-A837 CarbonylContact O-C 3.53Å; L741-A837 WeakPolarHBondContact O-CA 3.35Å; L742-A837 HydrophobicContact CD2-CB 3.69Å; A837-F845 CarbonylContact O-C 3.55Å; A837-F845 WeakPolarHBondContact O-CA 3.17Å; A837-F845 WeakPolarHBondContact O-CB 3.41Å; A837-N846 HydrophobicContact CB-CB 4.28Å; A837-N846 PolarHBondContact N-O 3.45Å; A837-N846 PolarHBondContact O-N 2.73Å; A837-W935 HydrophobicContact CB-CH2 3.54Å; A837-W935 HydrophobicContact CB-CZ2 4.44Å; A837-W935 HydrophobicContact CB-CZ3 4.23Å; A837-L939 HydrophobicContact CB-CD1 3.59Å; A837-L939 HydrophobicContact CB-CD2 3.49Å; A837-L939 VanDerWaalsContact CB-CD2 3.49Å; A837-L939 HydrophobicContact CB-CG 4.18Å
838V92.3Very high85.2Confident2 Ų227.8 Ų27.81%0.01212%0.122CC..EExtended strand (participates in β ladder)trans-106.2131-174.6174.80000110.4V732 R740 L741 W784 I836 F845 W952V732-V838 HydrophobicContact CG1-CG1 3.96Å; V732-V838 HydrophobicContact CG2-CG1 4.25Å; R740-V838 WeakPolarHBondContact CA-O 3.48Å; L741-V838 HydrophobicContact CB-CB 4.3Å; L741-V838 PolarHBondContact N-O 2.9Å; L741-V838 PolarHBondContact O-N 3.32Å; W784-V838 HydrophobicContact CH2-CG2 4.47Å; I836-V838 HydrophobicContact CG2-CG2 3.71Å; V838-F845 HydrophobicContact CG2-CB 4.24Å; V838-W952 HydrophobicContact CB-CH2 4.46Å; V838-W952 HydrophobicContact CG1-CH2 3.41Å; V838-W952 VanDerWaalsContact CG1-CH2 3.41Å; V838-W952 HydrophobicContact CG1-CZ2 3.66Å; V838-W952 HydrophobicContact CG1-CZ3 4.12Å
839N91.4Very high85.7Confident6 Ų628.5 Ų28.53%0.03212%0.124CC..EExtended strand (participates in β ladder)trans-11292.7166.9-169.8-29.1000109.1Y841 R842 R843 Y844N839-Y841 PolarHBondContact O-N 3.43Å; N839-R842 HydrophobicContact CB-CB 4.43Å; N839-R842 PolarHBondContact O-N 2.81Å; N839-R842 PolarHBondContact OD1-N 3.42Å; N839-R842 VanDerWaalsContact OD1-N 3.07Å; N839-R843 WeakPolarHBondContact O-CA 3.38Å; N839-R843 PolarHBondContact O-N 3.46Å; N839-Y844 HydrophobicContact CB-CD1 4.01Å; N839-Y844 HydrophobicContact CB-CD2 4.37Å; N839-Y844 HydrophobicContact CB-CE1 3.6Å; N839-Y844 HydrophobicContact CB-CE2 3.98Å; N839-Y844 HydrophobicContact CB-CG 4.36Å; N839-Y844 PolarHBondContact N-O 3.35Å; N839-Y844 WeakPolarHBondContact ND2-CE1 3.33Å; N839-Y844 PolarHBondContact ND2-OH 2.99Å; N839-Y844 VanDerWaalsContact ND2-OH 3.1Å; N839-Y844 PolarHBondContact O-N 2.79Å
840G87Confident85.7Confident3 Ų326 Ų263%0.03111%0.109CC..THydrogen-bonded Turntrans-57-46.6-176.900000113.4V732 R843 W952V732-G840 WeakPolarHBondContact O-CA 3.4Å; G840-R843 PolarHBondContact O-N 3.22Å; G840-W952 PolarHBondContact O-NE1 3.25Å
841Y87.4Confident84.9Confident113 Ų11332.1 Ų32.144%0.44314%0.142SC..THydrogen-bonded Turntrans-66.2-41.8-178-177.1-103.7000113.3K737 N839 R843K737-Y841 HydrophobicContact CB-CD1 4.28Å; K737-Y841 HydrophobicContact CB-CE1 4.35Å; K737-Y841 HydrophobicContact CB-CG 4.47Å; K737-Y841 HydrophobicContact CD-CD1 4.5Å; K737-Y841 HydrophobicContact CD-CE1 3.76Å; K737-Y841 HydrophobicContact CD-CE2 4.03Å; K737-Y841 WeakPolarHBondContact CE-OH 3.43Å; K737-Y841 HydrophobicContact CG-CD1 3.99Å; K737-Y841 HydrophobicContact CG-CD2 3.86Å; K737-Y841 HydrophobicContact CG-CE1 3.72Å; K737-Y841 HydrophobicContact CG-CE2 3.63Å; K737-Y841 HydrophobicContact CG-CG 4.07Å; K737-Y841 PolarHBondContact NZ-OH 3.38Å; N839-Y841 PolarHBondContact O-N 3.43Å; Y841-R843 VanDerWaalsContact C-N 3.33Å
842R89.5Confident83.7Confident158 Ų15834.2 Ų34.260%0.59615%0.152SC*.THydrogen-bonded Turntrans-89.32.1178.7-65.6-172.2173.2-176.1-1.8113.6N839 Y844N839-R842 HydrophobicContact CB-CB 4.43Å; N839-R842 PolarHBondContact O-N 2.81Å; N839-R842 PolarHBondContact OD1-N 3.42Å; N839-R842 VanDerWaalsContact OD1-N 3.07Å; R842-Y844 HydrophobicContact CB-CD1 3.57Å; R842-Y844 HydrophobicContact CB-CE1 3.5Å; R842-Y844 VanDerWaalsContact CB-CE1 3.5Å; R842-Y844 HydrophobicContact CG-CE1 4.27Å; R842-Y844 PolarHBondContact O-N 2.89Å
843R89.5Confident81.8Confident119 Ų11936.9 Ų36.945%0.44917%0.17SC..THydrogen-bonded Turntrans48.753178.4-55.1-175.1176.7-174.2-2.9113.8N839 G840 Y841 I949 A950N839-R843 WeakPolarHBondContact O-CA 3.38Å; N839-R843 PolarHBondContact O-N 3.46Å; G840-R843 PolarHBondContact O-N 3.22Å; Y841-R843 VanDerWaalsContact C-N 3.33Å; R843-I949 VanDerWaalsContact CB-O 3.3Å; R843-I949 WeakPolarHBondContact CB-O 3.47Å; R843-I949 PolarHBondContact O-N 2.01Å; R843-A950 WeakPolarHBondContact CD-O 3.43Å; R843-A950 PolarHBondContact NH1-O 2.8Å
844Y91.3Very high79.8Confident9 Ų940.4 Ų40.44%0.03521%0.206CC..EExtended strand (participates in β ladder)trans-142.2161169.473.6-95.6000111.4N839 R842 N846 R946 Y947 N948N839-Y844 HydrophobicContact CB-CD1 4.01Å; N839-Y844 HydrophobicContact CB-CD2 4.37Å; N839-Y844 HydrophobicContact CB-CE1 3.6Å; N839-Y844 HydrophobicContact CB-CE2 3.98Å; N839-Y844 HydrophobicContact CB-CG 4.36Å; N839-Y844 PolarHBondContact N-O 3.35Å; N839-Y844 WeakPolarHBondContact ND2-CE1 3.33Å; N839-Y844 PolarHBondContact ND2-OH 2.99Å; N839-Y844 VanDerWaalsContact ND2-OH 3.1Å; N839-Y844 PolarHBondContact O-N 2.79Å; R842-Y844 HydrophobicContact CB-CD1 3.57Å; R842-Y844 HydrophobicContact CB-CE1 3.5Å; R842-Y844 VanDerWaalsContact CB-CE1 3.5Å; R842-Y844 HydrophobicContact CG-CE1 4.27Å; R842-Y844 PolarHBondContact O-N 2.89Å; Y844-N846 WeakPolarHBondContact CE2-OD1 3.43Å; Y844-R946 HydrophobicContact CD2-CB 3.9Å; Y844-R946 HydrophobicContact CD2-CG 3.89Å; Y844-R946 HydrophobicContact CE2-CG 4.02Å; Y844-R946 HydrophobicContact CG-CB 4.23Å; Y844-Y947 CarbonylContact C-O 3.55Å; Y844-Y947 WeakPolarHBondContact CA-O 3.31Å; Y844-Y947 WeakPolarHBondContact CB-O 3.18Å; Y844-N948 WeakPolarHBondContact CB-OD1 3.07Å
845F91.7Very high77.6Confident0 Ų042.3 Ų42.30%022%0.219CC..EExtended strand (participates in β ladder)trans-133.6162.617071.3-79.5000112.5L788 T792 I836 A837 V838 Y947 I949 W952L788-F845 HydrophobicContact CB-CE1 4.32Å; L788-F845 HydrophobicContact CB-CZ 4.28Å; T792-F845 HydrophobicContact CG2-CE1 3.62Å; T792-F845 HydrophobicContact CG2-CZ 3.83Å; I836-F845 HydrophobicContact CG2-CB 4.1Å; I836-F845 HydrophobicContact CG2-CD2 3.92Å; I836-F845 HydrophobicContact CG2-CG 4.36Å; A837-F845 CarbonylContact O-C 3.55Å; A837-F845 WeakPolarHBondContact O-CA 3.17Å; A837-F845 WeakPolarHBondContact O-CB 3.41Å; V838-F845 HydrophobicContact CG2-CB 4.24Å; F845-Y947 WeakPolarHBondContact CD1-O 3.45Å; F845-Y947 HydrophobicContact CD2-CD2 4.22Å; F845-Y947 VanDerWaalsContact CE1-CB 3.41Å; F845-Y947 HydrophobicContact CE1-CG 4.31Å; F845-Y947 AromaticContact CE2-CD2 3.87Å; F845-Y947 HydrophobicContact CE2-CD2 3.87Å; F845-Y947 HydrophobicContact CE2-CG 4.19Å; F845-Y947 HydrophobicContact CZ-CD2 4.16Å; F845-Y947 AromaticContact CZ-CG 4Å; F845-Y947 HydrophobicContact CZ-CG 4Å; F845-Y947 PolarHBondContact N-O 3.24Å; F845-Y947 PolarHBondContact O-N 3.09Å; F845-I949 HydrophobicContact CD1-CD1 3.45Å; F845-I949 VanDerWaalsContact CD1-CD1 3.45Å; F845-I949 HydrophobicContact CD1-CG1 3.98Å; F845-I949 HydrophobicContact CE1-CD1 3.63Å; F845-I949 HydrophobicContact CE1-CG1 3.95Å; F845-W952 HydrophobicContact CB-CH2 4.47Å
846N90Very high75Confident8 Ų849.6 Ų49.64%0.04325%0.254CS..EExtended strand (participates in β ladder)trans-121.2148.7168.7-57.787.8000108.4I836 A837 Y844 W935 L939 L944 P945I836-N846 WeakPolarHBondContact CA-O 3.47Å; A837-N846 HydrophobicContact CB-CB 4.28Å; A837-N846 PolarHBondContact N-O 3.45Å; A837-N846 PolarHBondContact O-N 2.73Å; Y844-N846 WeakPolarHBondContact CE2-OD1 3.43Å; N846-W935 HydrophobicContact CB-CH2 4.38Å; N846-W935 HydrophobicContact CB-CZ2 3.81Å; N846-L939 HydrophobicContact CB-CD1 3.74Å; N846-L939 WeakPolarHBondContact OD1-CD1 3.41Å; N846-L944 HydrophobicContact CB-CD1 4.38Å; N846-L944 WeakPolarHBondContact ND2-CB 3.06Å; N846-P945 PolarHBondContact ND2-O 3.01Å
847L87.4Confident72.2Confident23 Ų2351.6 Ų51.612%0.1227%0.268CS..EExtended strand (participates in β ladder)trans-120.5135.4-177.3-169.673.8000111.3T834 I836 F890 W935 Y947T834-L847 HydrophobicContact CG2-CD1 3.51Å; T834-L847 HydrophobicContact CG2-CG 4.25Å; I836-L847 HydrophobicContact CG1-CD1 3.82Å; L847-F890 HydrophobicContact CD2-CB 4.24Å; L847-F890 HydrophobicContact CD2-CD1 3.11Å; L847-F890 HydrophobicContact CD2-CE1 3.66Å; L847-F890 HydrophobicContact CD2-CG 3.99Å; L847-W935 PolarHBondContact O-NE1 2.73Å; L847-W935 VanDerWaalsContact O-NE1 3.13Å; L847-Y947 HydrophobicContact CB-CE2 4.34Å
848Y85.6Confident69.3Low30 Ų3054.9 Ų54.912%0.11829%0.29CS..EExtended strand (participates in β ladder)trans-116.7125.6164.6170.9-101.1000108.2T834 V835 L928 L929 G931 L932 W935T834-Y848 CarbonylContact C-O 3.45Å; T834-Y848 VanDerWaalsContact CA-O 3.28Å; T834-Y848 WeakPolarHBondContact CA-O 2.93Å; T834-Y848 WeakPolarHBondContact CG2-O 3.44Å; V835-Y848 HydrophobicContact CB-CD1 4.06Å; V835-Y848 HydrophobicContact CG2-CD1 4.16Å; V835-Y848 PolarHBondContact N-O 3.43Å; V835-Y848 PolarHBondContact O-N 3.37Å; Y848-L928 PolarHBondContact OH-O 2.82Å; Y848-L928 VanDerWaalsContact OH-O 3.04Å; Y848-L929 HydrophobicContact CE1-CD2 4.31Å; Y848-G931 WeakPolarHBondContact OH-CA 3.35Å; Y848-G931 PolarHBondContact OH-N 2.7Å; Y848-L932 HydrophobicContact CD1-CD1 4.15Å; Y848-L932 HydrophobicContact CE1-CB 4.4Å; Y848-L932 HydrophobicContact CG-CD1 4.39Å; Y848-W935 HydrophobicContact CD2-CB 3.77Å; Y848-W935 AromaticContact CD2-CD1 3.78Å; Y848-W935 HydrophobicContact CD2-CD2 4.37Å; Y848-W935 AromaticContact CD2-CG 3.71Å; Y848-W935 HydrophobicContact CD2-CG 3.71Å; Y848-W935 HydrophobicContact CE2-CB 4.31Å; Y848-W935 HydrophobicContact CG-CB 4.47Å; Y848-W935 HydrophobicContact CG-CD2 4.31Å; Y848-W935 HydrophobicContact CG-CG 4.13Å
849H79.3Confident66.3Low26 Ų2658.8 Ų58.812%0.1232%0.317CS..  trans-131.1118.9177.5-168.570.9000109.4N830 T834N830-H849 PolarHBondContact O-CE1 2.82Å; T834-H849 HydrophobicContact CG2-CB 4.48Å; T834-H849 PolarHBondContact OG1-CE1 3.37Å; T834-H849 PolarHBondContact OG1-ND1 3.37Å
850P68.6Low63.3Low10 Ų1062.1 Ų62.17%0.06534%0.335CS..  trans-69.7138.517427.9-31.3000110.3I852 L928P850-I852 PolarHBondContact O-N 2.91Å; P850-L928 HydrophobicContact CB-CD2 4.05Å; P850-L928 WeakPolarHBondContact CB-O 3.43Å; P850-L928 HydrophobicContact CG-CD2 3.98Å
851L55.4Low60.3Low144 Ų14470.9 Ų70.975%0.75438%0.375SS*.  trans-77.2103.9177-155.483.1000109.1P853 L923L851-P853 WeakPolarHBondContact O-CD 3.28Å; L851-L923 WeakPolarHBondContact O-CD1 3.42Å
852I49.8Very low57.3Low44 Ų4472.7 Ų72.723%0.22639%0.393CS..  trans-89.2114.9179.4-56.2174.6000109.3P850 G854 S855 L928P850-I852 PolarHBondContact O-N 2.91Å; I852-G854 PolarHBondContact O-N 3.48Å; I852-S855 WeakPolarHBondContact O-CB 3.4Å; I852-S855 PolarHBondContact O-N 3.05Å; I852-S855 PolarHBondContact O-OG 3.1Å; I852-L928 HydrophobicContact CD1-CD2 4.34Å; I852-L928 HydrophobicContact CG1-CD2 4.02Å
853P39Very low54.2Low75 Ų7570 Ų7049%0.48740%0.399SS..THydrogen-bonded Turntrans-64.5131.7173.223.2-29.5000110.3L851 L923L851-P853 WeakPolarHBondContact O-CD 3.28Å; P853-L923 HydrophobicContact CG-CB 4.02Å; P853-L923 HydrophobicContact CG-CD1 3.91Å; P853-L923 HydrophobicContact CG-CG 4.47Å
854G39.7Very low51Low74 Ų7474.1 Ų74.176%0.76342%0.423SS*.THydrogen-bonded Turntrans94.20.7-178.100000115.2I852 Q856I852-G854 PolarHBondContact O-N 3.48Å; G854-Q856 VanDerWaalsContact C-N 3.3Å; G854-Q856 PolarHBondContact O-N 3.19Å
855S41Very low47.8Very low41 Ų4178.1 Ų78.129%0.28745%0.452SS..  trans-7182.2173.165.70000110.7I852 S857I852-S855 WeakPolarHBondContact O-CB 3.4Å; I852-S855 PolarHBondContact O-N 3.05Å; I852-S855 PolarHBondContact O-OG 3.1Å; S855-S857 PolarHBondContact O-N 3.43Å
856Q34.6Very low44.7Very low154 Ų15484.9 Ų84.972%0.7249%0.488SS*.  trans-70.7129.8175.4-63.4-178.210.300109.6G854 S858G854-Q856 VanDerWaalsContact C-N 3.3Å; G854-Q856 PolarHBondContact O-N 3.19Å; Q856-S858 PolarHBondContact O-N 3.17Å
857S32.9Very low41.6Very low42 Ų4290.2 Ų90.229%0.29452%0.521SS..  trans-71.6114.2155.7178.40000105.6S855 S859S855-S857 PolarHBondContact O-N 3.43Å; S857-S859 PolarHBondContact O-N 3.34Å
858S31.1Very low38.7Very low71 Ų7196.2 Ų96.250%0.49755%0.553SS.*SBendtrans-73.974.1-177.6630000110.2Q856Q856-S858 PolarHBondContact O-N 3.17Å
859S29.9Very low35.7Very low84 Ų84103 Ų10359%0.58759%0.586SS**  trans-106.93.116266.50000112.5S857S857-S859 PolarHBondContact O-N 3.34Å
860D27.8Very low33Very low76 Ų76106.7 Ų106.741%0.40662%0.615SS.*  trans-125.571-171.9-70.97.9000111.1R882D860-R882 IonicContact OD1-CZ 2.83Å; D860-R882 IonicContact OD1-NE 3.24Å; D860-R882 PolarHBondContact OD1-NE 2.9Å; D860-R882 IonicContact OD1-NH1 3.14Å; D860-R882 IonicContact OD1-NH2 3.51Å; D860-R882 PolarHBondContact OD1-NH2 2.78Å; D860-R882 IonicContact OD2-CZ 3.86Å; D860-R882 IonicContact OD2-NE 3.71Å; D860-R882 PolarHBondContact OD2-NE 2.92Å; D860-R882 VanDerWaalsContact OD2-NE 3.12Å; D860-R882 IonicContact OD2-NH1 3.36Å; D860-R882 PolarHBondContact OD2-NH1 3.33Å; D860-R882 VanDerWaalsContact OD2-NH1 3.09Å; D860-R882 IonicContact OD2-NH2 3.3Å; D860-R882 PolarHBondContact OD2-NH2 3.2Å
861E24.9Very low30.8Very low187 Ų187114.1 Ų114.187%0.87465%0.653SS**  trans-128.7100147.9-75.1-153.4-169.800107.6
862N25.1Very low29.2Very low151 Ų151112 Ų11281%0.80765%0.651SS**  trans-155.7103.4157.1-93.3-24.6000109.4
863S24.6Very low28Very low103 Ų103117 Ų11772%0.7268%0.676SS**  trans36.9103.1137.360.90000118.3
864E22.1Very low27.2Very low204 Ų204122.2 Ų122.295%0.95369%0.694SS**  trans-90.8105.4150-74176.6162.500108.3
865S23.6Very low26.7Very low93 Ų93128.5 Ų128.565%0.6570%0.7SS**  trans-146.8141.5157.563.50000110.4
866D25.7Very low25.9Very low142 Ų142135.8 Ų135.876%0.75973%0.73SS**  trans77.2106165.2-47-31.1000116.2
867V26.1Very low25.4Very low121 Ų121131.6 Ų131.673%0.73373%0.728SS**  59.596.675-1750000111.1
868D26.2Very low25Very low148 Ų148137.1 Ų137.179%0.79175%0.754SS**  171.3158.2120.2-94-29.8000114.2
869E22.1Very low24.8Very low172 Ų172145.8 Ų145.880%0.80478%0.776SS**  trans-61.3165.8-173.9-63.5177.5117.500116.2
870S22.8Very low24.7Very low104 Ų104150.2 Ų150.273%0.72779%0.792SS**  trans95.8109.4141.569.60000119.8
871L22.3Very low24.7Very low166 Ų166157.8 Ų157.887%0.86982%0.815SS**  trans64126.4137.7-66.5164.7000120.7
872S22.3Very low25Very low101 Ų101158 Ų15871%0.70681%0.808SS**  trans106118.3143.4790000118.7
873I24.9Very low25.2Very low147 Ų147161.4 Ų161.475%0.75481%0.809SS**  trans76107.2142.9-57160000117.8
874E22.3Very low25.7Very low185 Ų185161.6 Ų161.686%0.86480%0.798SS**  trans24.5100.9138.2-60-178163.800117.8
875K27.7Very low26.6Very low206 Ų206157 Ų15790%0.89678%0.779SS**  trans-135134.4146.5-78.4-169.6178.8173.40111.4
876Q24.8Very low27.4Very low195 Ų195154 Ų15491%0.91176%0.755SS**  trans-63169.2-177.3-71.2134.4-32.500113.6
877G24.6Very low28.3Very low66 Ų66148.5 Ų148.568%0.6873%0.731SS**  trans-59.9156-164.800000117
878N25Very low29.1Very low158 Ų158149.8 Ų149.885%0.84572%0.723SS**  trans177.196.5151.5-95.1-22.9000108.2
879R26.8Very low30.2Very low252 Ų252143.4 Ų143.495%0.95169%0.691SS**  trans-154.113.4168.8-113.1163.3-166.1173.23.3117.2
880L27.3Very low31.4Very low178 Ų178135.7 Ų135.793%0.93266%0.655SS**  trans-110.13.5177.5-78.8161.4000115.4R882L880-R882 PolarHBondContact O-N 3.31Å
881R26.8Very low32.5Very low235 Ų235132 Ų13289%0.88763%0.634SS**  trans-87.399.7170.1-97.4-177.4171.1175.9-1.7109.9
882R31.2Very low33.6Very low191 Ų191129.4 Ų129.472%0.72162%0.62SS**  trans-156.115.4163.8-120.1174.8-169.8175.54.4118.8D860 L880D860-R882 IonicContact OD1-CZ 2.83Å; D860-R882 IonicContact OD1-NE 3.24Å; D860-R882 PolarHBondContact OD1-NE 2.9Å; D860-R882 IonicContact OD1-NH1 3.14Å; D860-R882 IonicContact OD1-NH2 3.51Å; D860-R882 PolarHBondContact OD1-NH2 2.78Å; D860-R882 IonicContact OD2-CZ 3.86Å; D860-R882 IonicContact OD2-NE 3.71Å; D860-R882 PolarHBondContact OD2-NE 2.92Å; D860-R882 VanDerWaalsContact OD2-NE 3.12Å; D860-R882 IonicContact OD2-NH1 3.36Å; D860-R882 PolarHBondContact OD2-NH1 3.33Å; D860-R882 VanDerWaalsContact OD2-NH1 3.09Å; D860-R882 IonicContact OD2-NH2 3.3Å; D860-R882 PolarHBondContact OD2-NH2 3.2Å; L880-R882 PolarHBondContact O-N 3.31Å
883R30.1Very low34.1Very low222 Ų222130 Ų13084%0.83861%0.611SS**SBendtrans-117.2-6177.4-79.4-176.3170167.8-3.8116.8
884H34.1Very low34.4Very low107 Ų107127.1 Ų127.150%0.49560%0.604SS.*  trans-108.47.9-155-69.5-80.8000117R888 E893H884-R888 WeakPolarHBondContact O-CB 3.46Å; H884-E893 IonicContact ND1-OE2 2.78Å
885I41.8Very low34.7Very low107 Ų107125 Ų12555%0.54960%0.599SS.*Hα-helixtrans-84.3-47-172.9-58.4174.9000111.5L824 A889L824-I885 HydrophobicContact CD1-CG2 3.69Å; I885-A889 WeakPolarHBondContact O-CB 3.49Å; I885-A889 PolarHBondContact O-N 3.22Å
886F40.2Very low34.8Very low31 Ų31121.5 Ų121.514%0.13659%0.59CS.*Hα-helixtrans-72.3-48.1-170-131-105.7000113L824 R888 A889 F890L824-F886 HydrophobicContact CD1-CD2 3.87Å; L824-F886 HydrophobicContact CD1-CE2 4.04Å; F886-R888 VanDerWaalsContact C-N 3.33Å; F886-R888 PolarHBondContact O-N 3.23Å; F886-A889 WeakPolarHBondContact O-CB 3.46Å; F886-A889 PolarHBondContact O-N 2.75Å; F886-F890 HydrophobicContact CD1-CD2 4.11Å; F886-F890 AromaticContact CD1-CE2 3.6Å; F886-F890 HydrophobicContact CD1-CE2 3.6Å; F886-F890 HydrophobicContact CE1-CD2 4.4Å; F886-F890 AromaticContact CE1-CE2 3.47Å; F886-F890 HydrophobicContact CE1-CE2 3.47Å; F886-F890 VanDerWaalsContact CE1-CE2 3.47Å; F886-F890 HydrophobicContact CE1-CZ 4.26Å; F886-F890 HydrophobicContact CG-CE2 4.38Å; F886-F890 HydrophobicContact CZ-CE2 4.14Å; F886-F890 WeakPolarHBondContact O-CD2 3.32Å; F886-F890 PolarHBondContact O-N 2.58Å
887G45.8Very low35Very low26 Ų26121.7 Ų121.727%0.26859%0.591SS.*Hα-helixtrans-62.2-38.8177.500000113.2F890 G891 L892G887-F890 PolarHBondContact O-N 2.98Å; G887-G891 PolarHBondContact O-N 2.94Å; G887-L892 PolarHBondContact O-N 2.61Å; G887-L892 VanDerWaalsContact O-N 3.13Å
888R43Very low35.2Very low148 Ų148127.1 Ų127.156%0.55860%0.598SS**Hα-helixtrans-70-32.7176.7-160.9176.1-171.8170.44.9112.9R793 H884 F886 F890 G891R793-R888 PolarHBondContact NH1-O 2.86Å; H884-R888 WeakPolarHBondContact O-CB 3.46Å; F886-R888 VanDerWaalsContact C-N 3.33Å; F886-R888 PolarHBondContact O-N 3.23Å; R888-F890 VanDerWaalsContact C-N 3.26Å; R888-F890 PolarHBondContact O-N 2.99Å; R888-G891 PolarHBondContact O-N 3.41Å
889A47.8Very low35.3Very low15 Ų15125.8 Ų125.812%0.12459%0.592CS.*Hα-helixtrans-63.5-32.3174.300000112.3L796 L824 I885 F886L796-A889 HydrophobicContact CD2-CB 4.09Å; L824-A889 HydrophobicContact CD1-CB 4.33Å; L824-A889 HydrophobicContact CD2-CB 3.69Å; I885-A889 WeakPolarHBondContact O-CB 3.49Å; I885-A889 PolarHBondContact O-N 3.22Å; F886-A889 WeakPolarHBondContact O-CB 3.46Å; F886-A889 PolarHBondContact O-N 2.75Å
890F48.6Very low35.3Very low10 Ų10122.5 Ų122.54%0.04459%0.592CS.*THydrogen-bonded Turntrans-95.76.7179.4-67-63.5000114.8L789 L847 F886 G887 R888 L892 Y947L789-F890 HydrophobicContact CD1-CE1 3.68Å; L789-F890 HydrophobicContact CD1-CZ 4.25Å; L789-F890 HydrophobicContact CD2-CD1 4.07Å; L789-F890 HydrophobicContact CD2-CE1 3.93Å; L789-F890 HydrophobicContact CG-CE1 4.48Å; L847-F890 HydrophobicContact CD2-CB 4.24Å; L847-F890 HydrophobicContact CD2-CD1 3.11Å; L847-F890 HydrophobicContact CD2-CE1 3.66Å; L847-F890 HydrophobicContact CD2-CG 3.99Å; F886-F890 HydrophobicContact CD1-CD2 4.11Å; F886-F890 AromaticContact CD1-CE2 3.6Å; F886-F890 HydrophobicContact CD1-CE2 3.6Å; F886-F890 HydrophobicContact CE1-CD2 4.4Å; F886-F890 AromaticContact CE1-CE2 3.47Å; F886-F890 HydrophobicContact CE1-CE2 3.47Å; F886-F890 VanDerWaalsContact CE1-CE2 3.47Å; F886-F890 HydrophobicContact CE1-CZ 4.26Å; F886-F890 HydrophobicContact CG-CE2 4.38Å; F886-F890 HydrophobicContact CZ-CE2 4.14Å; F886-F890 WeakPolarHBondContact O-CD2 3.32Å; F886-F890 PolarHBondContact O-N 2.58Å; G887-F890 PolarHBondContact O-N 2.98Å; R888-F890 VanDerWaalsContact C-N 3.26Å; R888-F890 PolarHBondContact O-N 2.99Å; F890-L892 HydrophobicContact CB-CD1 4.42Å; F890-Y947 PolarHBondContact O-OH 3.19Å
891G44.4Very low35.3Very low27 Ų27121.6 Ų121.628%0.27858%0.582SS.*THydrogen-bonded Turntrans65.935.5176.300000113.8G887 R888G887-G891 PolarHBondContact O-N 2.94Å; R888-G891 PolarHBondContact O-N 3.41Å
892L46Very low35.1Very low111 Ų111119.6 Ų119.658%0.58158%0.583SS**  trans-91.40.9179.8-74.2167.7000114.3G887 F890G887-L892 PolarHBondContact O-N 2.61Å; G887-L892 VanDerWaalsContact O-N 3.13Å; F890-L892 HydrophobicContact CB-CD1 4.42Å
893E32.3Very low34.8Very low113 Ų113115.6 Ų115.653%0.52859%0.585SS.*SBendtrans-123.2142.8174.7-74.3176.7171.500111.1H884H884-E893 IonicContact ND1-OE2 2.78Å
894S32.6Very low34.5Very low86 Ų86112 Ų11260%0.60158%0.582SS**  trans-79.4146.4175.651.20000111.6D896S894-D896 PolarHBondContact O-N 2.82Å
895D28Very low34.1Very low140 Ų140113.7 Ų113.775%0.74959%0.593SS**  trans-80.639.2-168.8-71.5-45.1000114.7
896D30.8Very low33.4Very low133 Ų133115.1 Ų115.171%0.71160%0.602SS**  trans-105.772.9-173.8-56.5-46.5000112.8S894S894-D896 PolarHBondContact O-N 2.82Å
897E29Very low32.8Very low199 Ų199119.5 Ų119.593%0.9363%0.627SS**  trans-150.684.3154.4-75.9-156.4169.500110.9
898E26.8Very low31.8Very low180 Ų180124.2 Ų124.284%0.84165%0.646SS**  trans-93.7132.8157.4-69.9-174.5163.400109.3
899D27.9Very low31.1Very low131 Ų131124.6 Ų124.670%0.70165%0.654SS**  trans59.585.5152.9-55.6-20.9000119.8
900L27.8Very low29.9Very low182 Ų182128.3 Ų128.395%0.95368%0.679SS**  trans-112.8106.8150.9-125.592.2000112.1
901H25.8Very low28.8Very low159 Ų159136.4 Ų136.474%0.73672%0.716SS**  trans-61.6144.3176.1-78.1-86.1000114.1S903H901-S903 PolarHBondContact O-N 2.77Å
902Q23.7Very low27.9Very low193 Ų193143.3 Ų143.390%0.90275%0.746SS**  trans-29.4121.1156-84.4156.8-33.100115.1
903S24.4Very low26.8Very low108 Ų108147.8 Ų147.876%0.75576%0.761SS**  trans-155.5110.5145.765.80000112.8H901H901-S903 PolarHBondContact O-N 2.77Å
904N24.5Very low26.4Very low147 Ų147146.8 Ų146.879%0.78677%0.766SS**  trans40.5105.1138.9-66.6-15.9000120.4
905I24.9Very low26Very low142 Ų142153.5 Ų153.573%0.72878%0.778SS**  34.8107.7114.1-54.1168.4000115.2
906N28.1Very low25.7Very low136 Ų136155 Ų15573%0.72778%0.781SS**  -168.5119.1127.3-95.7-25.9000111.7
907N26.1Very low25.4Very low124 Ų124157.1 Ų157.166%0.66379%0.786SS**  trans61.9120.8131.3-66.6-12000121
908N26.6Very low25.5Very low125 Ų125154.2 Ų154.267%0.66878%0.776SS**  102.8107.5129.8-67-4.9000119.1
909H26.4Very low25.6Very low155 Ų155151.6 Ų151.672%0.71877%0.772SS**  trans73.291.7137.5-63.3-58.9000119.4H911H909-H911 PolarHBondContact O-N 3.05Å
910S23.2Very low25.7Very low93 Ų93153 Ų15365%0.6578%0.779SS**  26.596.1114.762.20000116.8
911H24.9Very low26.2Very low181 Ų181146.8 Ų146.884%0.83876%0.76SS**  trans-131.8116.2140.9-99.3-78.1000109H909 K913H909-H911 PolarHBondContact O-N 3.05Å; H911-K913 PolarHBondContact O-N 3.24Å
912L25.7Very low27Very low171 Ų171144.2 Ų144.290%0.89576%0.755SS**  trans-50.5103.7175.6-69.299.8000110S914L912-S914 PolarHBondContact O-N 3.21Å; L912-S914 VanDerWaalsContact O-N 3.12Å
913K23.7Very low28.1Very low205 Ų205138.2 Ų138.289%0.89173%0.729SS**  trans-74.5101.2167.4-81.3-178.1178174.80108.3H911 R915H911-K913 PolarHBondContact O-N 3.24Å; K913-R915 PolarHBondContact O-N 3.18Å
914S24.6Very low29.6Very low93 Ų93139.4 Ų139.465%0.6572%0.721SS**  trans-41.5106160.11690000111.3L912 H916L912-S914 PolarHBondContact O-N 3.21Å; L912-S914 VanDerWaalsContact O-N 3.12Å; S914-H916 PolarHBondContact O-N 3.38Å; S914-H916 PolarHBondContact O-ND1 3.42Å
915R22.3Very low31.3Very low226 Ų226136 Ų13685%0.85370%0.702SS**  trans12.176.7133.1-168166.6162112.2-5.3113.7K913 Q917K913-R915 PolarHBondContact O-N 3.18Å; R915-Q917 PolarHBondContact O-N 3.3Å; R915-Q917 VanDerWaalsContact O-N 3.15Å
916H23.3Very low33.1Very low172 Ų172131.9 Ų131.980%0.79669%0.686SS**  trans-70.5107.2164.5-90.144.6000107.7S914 I918S914-H916 PolarHBondContact O-N 3.38Å; S914-H916 PolarHBondContact O-ND1 3.42Å; H916-I918 VanDerWaalsContact C-N 3.32Å; H916-I918 PolarHBondContact O-N 2.85Å
917Q23.2Very low35Very low178 Ų178129.7 Ų129.783%0.83267%0.672SS**  trans-54.998.4161-77.3166.8-34.100107.7R915 T919R915-Q917 PolarHBondContact O-N 3.3Å; R915-Q917 VanDerWaalsContact O-N 3.15Å; Q917-T919 PolarHBondContact O-N 3.18Å
918I31.8Very low37.2Very low137 Ų137124.3 Ų124.370%0.70364%0.643SS**  trans-67.8118.2164.4-63.9171.2000104.6H916 D920H916-I918 VanDerWaalsContact C-N 3.32Å; H916-I918 PolarHBondContact O-N 2.85Å; I918-D920 PolarHBondContact O-N 3.17Å
919T27.9Very low39.6Very low126 Ų126118.4 Ų118.477%0.77361%0.611SS**  trans-53.2120.6177.748.10000109.5Q917 G921Q917-T919 PolarHBondContact O-N 3.18Å; T919-G921 PolarHBondContact O-N 2.79Å
920D31.8Very low42Very low159 Ų159115.2 Ų115.285%0.8560%0.6SS**  trans-6265.6169.2-68-44.1000110.8I918 V922I918-D920 PolarHBondContact O-N 3.17Å; D920-V922 PolarHBondContact O-N 3.19Å
921G37.2Very low44.6Very low52 Ų52112.2 Ų112.254%0.53658%0.583SS.*  trans-67.987167.900000107.9T919 L923T919-G921 PolarHBondContact O-N 2.79Å; G921-L923 PolarHBondContact O-N 3.27Å
922V43.3Very low47.4Very low105 Ų105103.6 Ų103.664%0.63654%0.543SS*.  trans-55.5106.2164.8179.20000106.1D920 F924D920-V922 PolarHBondContact O-N 3.19Å; V922-F924 PolarHBondContact O-N 3.04Å; V922-F924 VanDerWaalsContact O-N 3.15Å
923L45.9Very low50.2Low67 Ų6797.8 Ų97.835%0.35152%0.517SS..  trans-61.7116.5172.5-120.1151.7000106.6L851 P853 G921 E927L851-L923 WeakPolarHBondContact O-CD1 3.42Å; P853-L923 HydrophobicContact CG-CB 4.02Å; P853-L923 HydrophobicContact CG-CD1 3.91Å; P853-L923 HydrophobicContact CG-CG 4.47Å; G921-L923 PolarHBondContact O-N 3.27Å; L923-E927 HydrophobicContact CD2-CB 3.72Å
924F56.5Low52.7Low134 Ų13491.5 Ų91.559%0.58849%0.493SS*.  trans-71.9142.2179.5-67-73.9000109.3V922 S926 E927V922-F924 PolarHBondContact O-N 3.04Å; V922-F924 VanDerWaalsContact O-N 3.15Å; F924-S926 WeakPolarHBondContact CB-OG 3.28Å; F924-S926 PolarHBondContact O-N 2.94Å; F924-E927 PolarHBondContact O-N 3.13Å
925D59.7Low55.6Low74 Ų7488 Ų8840%0.39647%0.466SS..G310 helixtrans-51.9-24.5177.9-65.2-25.7000113.2L755 E927 L928L755-D925 WeakPolarHBondContact CD2-O 3.43Å; D925-E927 PolarHBondContact O-N 3.49Å; D925-L928 HydrophobicContact CB-CD1 4.28Å
926S63.7Low58.7Low57 Ų5777.5 Ų77.540%0.39943%0.426SS..G310 helixtrans-63.3-22.1175.449.20000114.5Q758 F924Q758-S926 PolarHBondContact NE2-O 3.37Å; Q758-S926 PolarHBondContact OE1-O 3.14Å; F924-S926 WeakPolarHBondContact CB-OG 3.28Å; F924-S926 PolarHBondContact O-N 2.94Å
927E67.8Low61.5Low90 Ų9074.4 Ų74.442%0.42142%0.416SS..G310 helixtrans-102.6-9.9-172.8-63.3177178.300112.6L923 F924 D925 L929 D930L923-E927 HydrophobicContact CD2-CB 3.72Å; F924-E927 PolarHBondContact O-N 3.13Å; D925-E927 PolarHBondContact O-N 3.49Å; E927-L929 PolarHBondContact O-N 3.18Å; E927-L929 VanDerWaalsContact O-N 3.13Å; E927-D930 WeakPolarHBondContact O-CB 3.22Å; E927-D930 PolarHBondContact O-N 2.86Å
928L72.2Confident64Low11 Ų1171.3 Ų71.36%0.05840%0.396CS..THydrogen-bonded Turntrans-55.3-36.2-176.4-76.5168.6000113.4L755 Y848 P850 I852 D925L755-L928 HydrophobicContact CD1-CD1 4.3Å; L755-L928 HydrophobicContact CD2-CB 4.23Å; L755-L928 HydrophobicContact CD2-CD1 4.1Å; Y848-L928 PolarHBondContact OH-O 2.82Å; Y848-L928 VanDerWaalsContact OH-O 3.04Å; P850-L928 HydrophobicContact CB-CD2 4.05Å; P850-L928 WeakPolarHBondContact CB-O 3.43Å; P850-L928 HydrophobicContact CG-CD2 3.98Å; I852-L928 HydrophobicContact CD1-CD2 4.34Å; I852-L928 HydrophobicContact CG1-CD2 4.02Å; D925-L928 HydrophobicContact CB-CD1 4.28Å
929L76.1Confident66.6Low0 Ų065.1 Ų65.10%036%0.364CS..THydrogen-bonded Turntrans-97.19.4-178.1-63.7-178.5000113.5L744 L755 Q758 F759 K762 V835 Y848 E927 G931 L932L744-L929 HydrophobicContact CD1-CD2 4.17Å; L755-L929 HydrophobicContact CD2-CD1 4.44Å; L755-L929 HydrophobicContact CD2-CG 4.4Å; Q758-L929 HydrophobicContact CB-CD1 4.05Å; F759-L929 HydrophobicContact CB-CD1 3.85Å; K762-L929 HydrophobicContact CD-CB 4.32Å; K762-L929 PolarHBondContact NZ-O 3.16Å; V835-L929 HydrophobicContact CG2-CD2 4.22Å; Y848-L929 HydrophobicContact CE1-CD2 4.31Å; E927-L929 PolarHBondContact O-N 3.18Å; E927-L929 VanDerWaalsContact O-N 3.13Å; L929-G931 VanDerWaalsContact C-N 3.31Å; L929-G931 PolarHBondContact O-N 3.04Å; L929-L932 HydrophobicContact CB-CB 4.27Å; L929-L932 HydrophobicContact CD2-CD2 4.18Å; L929-L932 WeakPolarHBondContact O-CB 3.45Å; L929-L932 PolarHBondContact O-N 2.77Å
930D76.9Confident69.2Low89 Ų8962.5 Ų62.548%0.47634%0.343SS..THydrogen-bonded Turntrans-65.9-31.5-175.9-77.4-10.8000113.7K762 E927 L932K762-D930 VanDerWaalsContact NZ-CA 3.34Å; K762-D930 IonicContact NZ-OD1 2.64Å; K762-D930 PolarHBondContact NZ-OD1 2.89Å; E927-D930 WeakPolarHBondContact O-CB 3.22Å; E927-D930 PolarHBondContact O-N 2.86Å; D930-L932 VanDerWaalsContact C-N 3.28Å; D930-L932 PolarHBondContact O-N 3.44Å
931G77.3Confident71.5Confident30 Ų3061.9 Ų61.931%0.30933%0.334SS..THydrogen-bonded Turntrans-74-13.2170.400000114.8Y848 L929 S933 N934 W935Y848-G931 WeakPolarHBondContact OH-CA 3.35Å; Y848-G931 PolarHBondContact OH-N 2.7Å; L929-G931 VanDerWaalsContact C-N 3.31Å; L929-G931 PolarHBondContact O-N 3.04Å; G931-S933 PolarHBondContact O-N 3.47Å; G931-N934 PolarHBondContact O-N 3.07Å; G931-W935 PolarHBondContact O-N 2.89Å
932L85.2Confident73.5Confident0 Ų060.9 Ų60.90%032%0.324CS..Hα-helixtrans-65.1-40.8-169.9-179.164.7000113F759 K762 T763 V835 Y848 L929 D930 N934 W935 L936F759-L932 HydrophobicContact CD2-CD2 3.66Å; F759-L932 HydrophobicContact CE2-CD2 4.13Å; K762-L932 HydrophobicContact CB-CD2 4.42Å; T763-L932 HydrophobicContact CG2-CD2 4.44Å; V835-L932 HydrophobicContact CB-CD1 3.91Å; V835-L932 HydrophobicContact CG1-CD1 3.98Å; V835-L932 HydrophobicContact CG2-CD1 3.77Å; V835-L932 HydrophobicContact CG2-CD2 4.27Å; Y848-L932 HydrophobicContact CD1-CD1 4.15Å; Y848-L932 HydrophobicContact CE1-CB 4.4Å; Y848-L932 HydrophobicContact CG-CD1 4.39Å; L929-L932 HydrophobicContact CB-CB 4.27Å; L929-L932 HydrophobicContact CD2-CD2 4.18Å; L929-L932 WeakPolarHBondContact O-CB 3.45Å; L929-L932 PolarHBondContact O-N 2.77Å; D930-L932 VanDerWaalsContact C-N 3.28Å; D930-L932 PolarHBondContact O-N 3.44Å; L932-N934 VanDerWaalsContact C-N 3.3Å; L932-N934 PolarHBondContact O-N 3.22Å; L932-W935 HydrophobicContact CD1-CE3 3.95Å; L932-W935 HydrophobicContact CD1-CZ3 4.43Å; L932-W935 PolarHBondContact O-N 2.89Å; L932-L936 HydrophobicContact CD1-CG 4.3Å; L932-L936 HydrophobicContact CG-CD1 4.14Å; L932-L936 HydrophobicContact CG-CG 4.31Å; L932-L936 WeakPolarHBondContact O-CG 3.47Å; L932-L936 PolarHBondContact O-N 3.29Å
933S83.5Confident75.1Confident49 Ų4958.2 Ų58.234%0.34331%0.31SS..Hα-helixtrans-60.3-43.6179.949.30000111.4G931 W935 L936 D937G931-S933 PolarHBondContact O-N 3.47Å; S933-W935 VanDerWaalsContact C-N 3.34Å; S933-W935 PolarHBondContact O-N 3.45Å; S933-L936 PolarHBondContact O-N 3.36Å; S933-D937 PolarHBondContact O-N 3.43Å; S933-D937 VanDerWaalsContact O-N 3.11Å
934N76Confident76.8Confident72 Ų7255.9 Ų55.939%0.38530%0.298SS..Hα-helixtrans-67.1-37.8177.5-64.8-11.1000111.5G931 L932 L936 D937 R938G931-N934 PolarHBondContact O-N 3.07Å; L932-N934 VanDerWaalsContact C-N 3.3Å; L932-N934 PolarHBondContact O-N 3.22Å; N934-L936 VanDerWaalsContact C-N 3.35Å; N934-D937 PolarHBondContact O-N 3.37Å; N934-R938 PolarHBondContact O-N 2.96Å
935W86.1Confident77.8Confident21 Ų2152.9 Ų52.98%0.0829%0.292CS..Hα-helixtrans-65.5-38.1175.3-177.892.7000112.1L742 V835 A837 N846 L847 Y848 G931 L932 S933 R938 L939 L944L742-W935 HydrophobicContact CD2-CZ3 4.43Å; V835-W935 HydrophobicContact CG1-CH2 4.34Å; V835-W935 HydrophobicContact CG1-CZ3 4Å; A837-W935 HydrophobicContact CB-CH2 3.54Å; A837-W935 HydrophobicContact CB-CZ2 4.44Å; A837-W935 HydrophobicContact CB-CZ3 4.23Å; N846-W935 HydrophobicContact CB-CH2 4.38Å; N846-W935 HydrophobicContact CB-CZ2 3.81Å; L847-W935 PolarHBondContact O-NE1 2.73Å; L847-W935 VanDerWaalsContact O-NE1 3.13Å; Y848-W935 HydrophobicContact CD2-CB 3.77Å; Y848-W935 AromaticContact CD2-CD1 3.78Å; Y848-W935 HydrophobicContact CD2-CD2 4.37Å; Y848-W935 AromaticContact CD2-CG 3.71Å; Y848-W935 HydrophobicContact CD2-CG 3.71Å; Y848-W935 HydrophobicContact CE2-CB 4.31Å; Y848-W935 HydrophobicContact CG-CB 4.47Å; Y848-W935 HydrophobicContact CG-CD2 4.31Å; Y848-W935 HydrophobicContact CG-CG 4.13Å; G931-W935 PolarHBondContact O-N 2.89Å; L932-W935 HydrophobicContact CD1-CE3 3.95Å; L932-W935 HydrophobicContact CD1-CZ3 4.43Å; L932-W935 PolarHBondContact O-N 2.89Å; S933-W935 VanDerWaalsContact C-N 3.34Å; S933-W935 PolarHBondContact O-N 3.45Å; W935-R938 PolarHBondContact O-N 3.11Å; W935-L939 HydrophobicContact CH2-CD1 4.26Å; W935-L939 HydrophobicContact CH2-CD2 4.14Å; W935-L939 HydrophobicContact CZ2-CD1 4.47Å; W935-L939 HydrophobicContact CZ3-CD2 3.87Å; W935-L939 WeakPolarHBondContact O-CB 3.37Å; W935-L939 PolarHBondContact O-N 3.41Å; W935-L944 HydrophobicContact CD2-CD1 3.91Å; W935-L944 HydrophobicContact CG-CD1 4.13Å; W935-L944 HydrophobicContact CZ2-CD1 3.89Å; W935-L944 VanDerWaalsContact NE1-CD1 3.32Å
936L87Confident79.1Confident4 Ų455 Ų552%0.02130%0.295CS..Hα-helixtrans-62.8-43.4174.5-71.1169.3000111.3L742 T763 L932 S933 N934 R938 L939 F940L742-L936 HydrophobicContact CD1-CD2 3.84Å; L742-L936 HydrophobicContact CD2-CD2 4.06Å; T763-L936 HydrophobicContact CG2-CD1 4.03Å; L932-L936 HydrophobicContact CD1-CG 4.3Å; L932-L936 HydrophobicContact CG-CD1 4.14Å; L932-L936 HydrophobicContact CG-CG 4.31Å; L932-L936 WeakPolarHBondContact O-CG 3.47Å; L932-L936 PolarHBondContact O-N 3.29Å; S933-L936 PolarHBondContact O-N 3.36Å; N934-L936 VanDerWaalsContact C-N 3.35Å; L936-R938 VanDerWaalsContact C-N 3.32Å; L936-R938 PolarHBondContact O-N 2.91Å; L936-L939 HydrophobicContact CD2-CD2 4.22Å; L936-L939 VanDerWaalsContact O-CB 3.32Å; L936-L939 WeakPolarHBondContact O-CB 3.38Å; L936-L939 PolarHBondContact O-N 3.09Å; L936-L939 VanDerWaalsContact O-N 3.11Å; L936-F940 HydrophobicContact CB-CE2 4.29Å; L936-F940 HydrophobicContact CD2-CE2 4.16Å; L936-F940 WeakPolarHBondContact O-CD2 3.24Å; L936-F940 PolarHBondContact O-N 2.64Å
937D82.2Confident80.1Confident107 Ų10754.3 Ų54.357%0.57228%0.283SS*.Hα-helixtrans-57.9-46176.4-68.5-24.4000111.1S933 N934 L939 F940 E941S933-D937 PolarHBondContact O-N 3.43Å; S933-D937 VanDerWaalsContact O-N 3.11Å; N934-D937 PolarHBondContact O-N 3.37Å; D937-L939 VanDerWaalsContact C-N 3.34Å; D937-L939 PolarHBondContact O-N 2.98Å; D937-F940 PolarHBondContact O-N 3.24Å; D937-E941 VanDerWaalsContact O-CB 3.29Å; D937-E941 WeakPolarHBondContact O-CB 3.33Å; D937-E941 PolarHBondContact O-N 2.93Å
938R76.7Confident81Confident114 Ų11455.5 Ų55.543%0.4329%0.293SS..Hα-helixtrans-63.3-36.3174.4-69.4-171.966.9-176.8-1113.5N934 W935 L936 F940 G942 S943 L944N934-R938 PolarHBondContact O-N 2.96Å; W935-R938 PolarHBondContact O-N 3.11Å; L936-R938 VanDerWaalsContact C-N 3.32Å; L936-R938 PolarHBondContact O-N 2.91Å; R938-F940 VanDerWaalsContact C-N 3.32Å; R938-F940 PolarHBondContact O-N 3.14Å; R938-G942 PolarHBondContact O-N 3.01Å; R938-S943 WeakPolarHBondContact CB-OG 3.49Å; R938-S943 PolarHBondContact NE-OG 3.04Å; R938-S943 PolarHBondContact NH2-O 2.86Å; R938-S943 PolarHBondContact O-N 2.98Å; R938-S943 PolarHBondContact O-OG 3.06Å; R938-L944 HydrophobicContact CB-CD1 4.33Å; R938-L944 HydrophobicContact CB-CD2 3.86Å; R938-L944 HydrophobicContact CB-CG 3.78Å
939L85Confident81.5Confident6 Ų655.3 Ų55.33%0.03129%0.292CS..Hα-helixtrans-62.2-40.7176.7-179.573.3000111.6L742 A837 N846 W935 L936 D937 L944L742-L939 HydrophobicContact CD2-CD2 3.74Å; A837-L939 HydrophobicContact CB-CD1 3.59Å; A837-L939 HydrophobicContact CB-CD2 3.49Å; A837-L939 VanDerWaalsContact CB-CD2 3.49Å; A837-L939 HydrophobicContact CB-CG 4.18Å; N846-L939 HydrophobicContact CB-CD1 3.74Å; N846-L939 WeakPolarHBondContact OD1-CD1 3.41Å; W935-L939 HydrophobicContact CH2-CD1 4.26Å; W935-L939 HydrophobicContact CH2-CD2 4.14Å; W935-L939 HydrophobicContact CZ2-CD1 4.47Å; W935-L939 HydrophobicContact CZ3-CD2 3.87Å; W935-L939 WeakPolarHBondContact O-CB 3.37Å; W935-L939 PolarHBondContact O-N 3.41Å; L936-L939 HydrophobicContact CD2-CD2 4.22Å; L936-L939 VanDerWaalsContact O-CB 3.32Å; L936-L939 WeakPolarHBondContact O-CB 3.38Å; L936-L939 PolarHBondContact O-N 3.09Å; L936-L939 VanDerWaalsContact O-N 3.11Å; D937-L939 VanDerWaalsContact C-N 3.34Å; D937-L939 PolarHBondContact O-N 2.98Å; L939-L944 HydrophobicContact CB-CD1 3.73Å; L939-L944 HydrophobicContact CD1-CD1 3.97Å; L939-L944 HydrophobicContact CG-CD1 4.49Å
940F83.8Confident81.8Confident72 Ų7259.7 Ų59.732%0.31633%0.328SS..Hα-helixtrans-83.1-31.4179.7-66.2-65.8000113V766 I771 L936 D937 R938 G942V766-F940 HydrophobicContact CB-CE2 4.13Å; V766-F940 HydrophobicContact CB-CZ 4.45Å; V766-F940 HydrophobicContact CG1-CD2 3.64Å; V766-F940 HydrophobicContact CG1-CE1 4.08Å; V766-F940 HydrophobicContact CG1-CE2 3.12Å; V766-F940 HydrophobicContact CG1-CG 4.37Å; V766-F940 HydrophobicContact CG1-CZ 3.37Å; V766-F940 HydrophobicContact CG2-CE2 4.49Å; I771-F940 HydrophobicContact CD1-CD1 4.4Å; I771-F940 HydrophobicContact CD1-CE1 3.4Å; I771-F940 VanDerWaalsContact CD1-CE1 3.4Å; I771-F940 HydrophobicContact CD1-CZ 3.74Å; I771-F940 HydrophobicContact CG1-CE1 4.33Å; L936-F940 HydrophobicContact CB-CE2 4.29Å; L936-F940 HydrophobicContact CD2-CE2 4.16Å; L936-F940 WeakPolarHBondContact O-CD2 3.24Å; L936-F940 PolarHBondContact O-N 2.64Å; D937-F940 PolarHBondContact O-N 3.24Å; R938-F940 VanDerWaalsContact C-N 3.32Å; R938-F940 PolarHBondContact O-N 3.14Å; F940-G942 PolarHBondContact O-N 3.04Å
941E79.3Confident82.1Confident145 Ų14562.4 Ų62.468%0.67834%0.338SS*.Hα-helixtrans-61.8-33.5166.5-174.3-175.1-150.200111.4D937 S943D937-E941 VanDerWaalsContact O-CB 3.29Å; D937-E941 WeakPolarHBondContact O-CB 3.33Å; D937-E941 PolarHBondContact O-N 2.93Å; E941-S943 WeakPolarHBondContact OE2-CB 3.5Å; E941-S943 PolarHBondContact OE2-OG 2.98Å
942G78.9Confident82.5Confident31 Ų3161.6 Ų61.632%0.3233%0.325SS..THydrogen-bonded Turntrans9016.1-179.700000114.2R938 F940 L944R938-G942 PolarHBondContact O-N 3.01Å; F940-G942 PolarHBondContact O-N 3.04Å; G942-L944 VanDerWaalsContact C-N 3.31Å; G942-L944 PolarHBondContact O-N 2.81Å
943S77.8Confident82.3Confident49 Ų4962.8 Ų62.834%0.34333%0.333SS..  trans-86.16.7-178.462.50000114.3R938 E941R938-S943 WeakPolarHBondContact CB-OG 3.49Å; R938-S943 PolarHBondContact NE-OG 3.04Å; R938-S943 PolarHBondContact NH2-O 2.86Å; R938-S943 PolarHBondContact O-N 2.98Å; R938-S943 PolarHBondContact O-OG 3.06Å; E941-S943 WeakPolarHBondContact OE2-CB 3.5Å; E941-S943 PolarHBondContact OE2-OG 2.98Å
944L80.3Confident81.9Confident18 Ų1866.5 Ų66.59%0.09435%0.347CS..SBendtrans-94.5144.7176.9-67.6178.5000112.2N846 W935 R938 L939 G942 R946N846-L944 HydrophobicContact CB-CD1 4.38Å; N846-L944 WeakPolarHBondContact ND2-CB 3.06Å; W935-L944 HydrophobicContact CD2-CD1 3.91Å; W935-L944 HydrophobicContact CG-CD1 4.13Å; W935-L944 HydrophobicContact CZ2-CD1 3.89Å; W935-L944 VanDerWaalsContact NE1-CD1 3.32Å; R938-L944 HydrophobicContact CB-CD1 4.33Å; R938-L944 HydrophobicContact CB-CD2 3.86Å; R938-L944 HydrophobicContact CB-CG 3.78Å; L939-L944 HydrophobicContact CB-CD1 3.73Å; L939-L944 HydrophobicContact CD1-CD1 3.97Å; L939-L944 HydrophobicContact CG-CD1 4.49Å; G942-L944 VanDerWaalsContact C-N 3.31Å; G942-L944 PolarHBondContact O-N 2.81Å; L944-R946 PolarHBondContact O-N 3.41Å
945P79.4Confident81.9Confident71 Ų7164 Ų6446%0.46134%0.339SS..PPolyproline II helixtrans-60.9133.1173.726.4-33.8000110.1N846N846-P945 PolarHBondContact ND2-O 3.01Å
946R86.4Confident81.4Confident120 Ų12063.1 Ų63.145%0.45334%0.336SS..PPolyproline II helixtrans-101.5119.6178.9-61.8179.5-169.3162.77.1108.7Y844 L944 N948Y844-R946 HydrophobicContact CD2-CB 3.9Å; Y844-R946 HydrophobicContact CD2-CG 3.89Å; Y844-R946 HydrophobicContact CE2-CG 4.02Å; Y844-R946 HydrophobicContact CG-CB 4.23Å; L944-R946 PolarHBondContact O-N 3.41Å; R946-N948 PolarHBondContact O-N 3.43Å
947Y85Confident80.4Confident41 Ų4167.8 Ų67.816%0.16136%0.36CS..EExtended strand (participates in β ladder)trans-88.899.8175.1-64.7-69.8000108.7T792 Y844 F845 L847 F890T792-Y947 HydrophobicContact CG2-CD1 4.17Å; T792-Y947 HydrophobicContact CG2-CG 4.26Å; Y844-Y947 CarbonylContact C-O 3.55Å; Y844-Y947 WeakPolarHBondContact CA-O 3.31Å; Y844-Y947 WeakPolarHBondContact CB-O 3.18Å; F845-Y947 WeakPolarHBondContact CD1-O 3.45Å; F845-Y947 HydrophobicContact CD2-CD2 4.22Å; F845-Y947 VanDerWaalsContact CE1-CB 3.41Å; F845-Y947 HydrophobicContact CE1-CG 4.31Å; F845-Y947 AromaticContact CE2-CD2 3.87Å; F845-Y947 HydrophobicContact CE2-CD2 3.87Å; F845-Y947 HydrophobicContact CE2-CG 4.19Å; F845-Y947 HydrophobicContact CZ-CD2 4.16Å; F845-Y947 AromaticContact CZ-CG 4Å; F845-Y947 HydrophobicContact CZ-CG 4Å; F845-Y947 PolarHBondContact N-O 3.24Å; F845-Y947 PolarHBondContact O-N 3.09Å; L847-Y947 HydrophobicContact CB-CE2 4.34Å; F890-Y947 PolarHBondContact O-OH 3.19Å
948N86.5Confident79Confident115 Ų11563.3 Ų63.362%0.61534%0.339SS*.EExtended strand (participates in β ladder)trans-76.5139.3179.6-62.9-39.3000109.9Y844 R946Y844-N948 WeakPolarHBondContact CB-OD1 3.07Å; R946-N948 PolarHBondContact O-N 3.43Å
949I83Confident77.5Confident8 Ų862.7 Ų62.74%0.04135%0.345CS..  trans-121133.3179.8-59.9173.1000107.6L788 R843 F845 E951 W952L788-I949 HydrophobicContact CD2-CD1 3.43Å; L788-I949 VanDerWaalsContact CD2-CD1 3.43Å; R843-I949 VanDerWaalsContact CB-O 3.3Å; R843-I949 WeakPolarHBondContact CB-O 3.47Å; R843-I949 PolarHBondContact O-N 2.01Å; F845-I949 HydrophobicContact CD1-CD1 3.45Å; F845-I949 VanDerWaalsContact CD1-CD1 3.45Å; F845-I949 HydrophobicContact CD1-CG1 3.98Å; F845-I949 HydrophobicContact CE1-CD1 3.63Å; F845-I949 HydrophobicContact CE1-CG1 3.95Å; I949-E951 WeakPolarHBondContact CG2-O 2.95Å; I949-W952 HydrophobicContact CD1-CE3 3.85Å; I949-W952 HydrophobicContact CD1-CH2 3.69Å; I949-W952 HydrophobicContact CD1-CZ2 4.47Å; I949-W952 HydrophobicContact CD1-CZ3 3.37Å
950A81.8Confident75.4Confident91 Ų9169 Ų6975%0.75238%0.379SS*.SBendtrans-63.6-50.3176.700000111.2R843R843-A950 WeakPolarHBondContact CD-O 3.43Å; R843-A950 PolarHBondContact NH1-O 2.8Å
951E82.9Confident73.1Confident147 Ų14771.7 Ų71.769%0.68740%0.396SS*.SBendtrans-145.1137.5179.4-174.5161.2-151.700111I949I949-E951 WeakPolarHBondContact CG2-O 2.95Å
952W85.8Confident70.7Confident13 Ų1372.4 Ų72.45%0.04941%0.405CS..  trans-68.8143.2176.4-69.8111000110.1V732 L788 V838 G840 F845 I949V732-W952 HydrophobicContact CG1-CD2 3.51Å; V732-W952 HydrophobicContact CG1-CE3 3.64Å; V732-W952 HydrophobicContact CG1-CG 3.96Å; V732-W952 HydrophobicContact CG1-CH2 4.34Å; V732-W952 HydrophobicContact CG1-CZ2 4.21Å; V732-W952 HydrophobicContact CG1-CZ3 4.03Å; L788-W952 HydrophobicContact CD2-CE3 3.87Å; L788-W952 HydrophobicContact CD2-CZ3 3.6Å; V838-W952 HydrophobicContact CB-CH2 4.46Å; V838-W952 HydrophobicContact CG1-CH2 3.41Å; V838-W952 VanDerWaalsContact CG1-CH2 3.41Å; V838-W952 HydrophobicContact CG1-CZ2 3.66Å; V838-W952 HydrophobicContact CG1-CZ3 4.12Å; G840-W952 PolarHBondContact O-NE1 3.25Å; F845-W952 HydrophobicContact CB-CH2 4.47Å; I949-W952 HydrophobicContact CD1-CE3 3.85Å; I949-W952 HydrophobicContact CD1-CH2 3.69Å; I949-W952 HydrophobicContact CD1-CZ2 4.47Å; I949-W952 HydrophobicContact CD1-CZ3 3.37Å
953P81.2Confident68.5Low24 Ų2477.5 Ų77.516%0.15642%0.424CS..  trans-50.7142.1174.1-26.333.3000112Y728 K787 L788 G955Y728-P953 VanDerWaalsContact CE1-O 3.22Å; Y728-P953 WeakPolarHBondContact CE1-O 3.29Å; Y728-P953 WeakPolarHBondContact OH-CD 3.34Å; Y728-P953 PolarHBondContact OH-O 3.03Å; K787-P953 HydrophobicContact CB-CG 4.48Å; L788-P953 HydrophobicContact CD2-CG 4.41Å; P953-G955 VanDerWaalsContact C-N 3.25Å; P953-G955 PolarHBondContact O-N 3.42Å
954I74.9Confident66.3Low127 Ų12782.9 Ų82.965%0.65145%0.449SS*.SBendtrans-59.1-39.1-174.2-59.6168.4000111.1
955G75.6Confident63.8Low21 Ų2189.4 Ų89.422%0.21648%0.484CS..  trans-138.1166176.800000113.6P953P953-G955 VanDerWaalsContact C-N 3.25Å; P953-G955 PolarHBondContact O-N 3.42Å
956L75.9Confident61.5Low2 Ų297.7 Ų97.71%0.0153%0.525CS..SBendtrans-76.2-28.9174.4-146.188.3000112.1L723 P725 Y728 L776 Y781 W784 G958L723-L956 HydrophobicContact CD2-CD1 4.23Å; L723-L956 HydrophobicContact CG-CD1 4.05Å; L723-L956 HydrophobicContact CG-CD2 4.38Å; L723-L956 WeakPolarHBondContact O-CD2 3.4Å; P725-L956 HydrophobicContact CG-CB 4.24Å; Y728-L956 HydrophobicContact CD2-CD1 3.23Å; Y728-L956 HydrophobicContact CE2-CD1 3.78Å; Y728-L956 HydrophobicContact CG-CB 4.49Å; Y728-L956 HydrophobicContact CG-CD1 3.75Å; L776-L956 HydrophobicContact CD1-CD2 3.81Å; L776-L956 HydrophobicContact CD1-CG 4.44Å; Y781-L956 HydrophobicContact CD1-CB 4.34Å; Y781-L956 HydrophobicContact CD1-CD2 3.64Å; Y781-L956 HydrophobicContact CD1-CG 4.07Å; Y781-L956 HydrophobicContact CD2-CD2 3.61Å; Y781-L956 HydrophobicContact CE1-CD2 3.83Å; Y781-L956 HydrophobicContact CE2-CD2 3.77Å; Y781-L956 HydrophobicContact CG-CD2 3.54Å; Y781-L956 HydrophobicContact CG-CG 4.15Å; W784-L956 HydrophobicContact CD2-CD1 4.16Å; W784-L956 HydrophobicContact CG-CD1 4.12Å; W784-L956 HydrophobicContact CG-CG 4.33Å; L956-G958 PolarHBondContact O-N 3.15Å
957L65.2Low60.2Low101 Ų10196.6 Ų96.653%0.52953%0.528SS..SBendtrans-87.389.6161.5-66.3146.3000103.5P725 Y781 D959P725-L957 HydrophobicContact CG-CD1 3.86Å; P725-L957 HydrophobicContact CG-CG 4.43Å; Y781-L957 HydrophobicContact CE1-CD2 4.36Å; Y781-L957 HydrophobicContact CE1-CG 4.23Å; L957-D959 PolarHBondContact O-N 3.16Å; L957-D959 VanDerWaalsContact O-N 3.08Å
958G53.7Low58.9Low13 Ų1399.5 Ų99.513%0.13455%0.548CS..  trans-70110.9-177.400000107.8K787 L956 D960K787-G958 PolarHBondContact NZ-O 3.04Å; K787-G958 VanDerWaalsContact NZ-O 3.1Å; L956-G958 PolarHBondContact O-N 3.15Å; G958-D960 PolarHBondContact O-N 3.39Å
959D45.7Very low57.4Low102 Ų10298.6 Ų98.655%0.54554%0.544SS..  trans6.582.4177.1-48.5-29.9000112.2L957 D961L957-D959 PolarHBondContact O-N 3.16Å; L957-D959 VanDerWaalsContact O-N 3.08Å; D959-D961 PolarHBondContact O-N 3.39Å
960D39.8Very low55.9Low138 Ų138103.9 Ų103.974%0.73857%0.574SS**  trans-68.5113.2153.2-73-39.2000102.3G958 D962G958-D960 PolarHBondContact O-N 3.39Å; D960-D962 PolarHBondContact O-N 3.47Å
961D35.3Very low54.2Low129 Ų129104.8 Ų104.869%0.6956%0.562SS**  trans-41.4138.3178.2-65-66.2000110.6D959 D963D959-D961 PolarHBondContact O-N 3.39Å; D961-D963 PolarHBondContact O-N 3.05Å
962D30.2Very low52.3Low160 Ų160101.9 Ų101.986%0.85655%0.554SS**  trans-61.855.7172.1-67.7-58.3000111.8D960D960-D962 PolarHBondContact O-N 3.47Å
963D32.9Very low49.9Very low137 Ų137108.3 Ų108.373%0.73359%0.59SS**THydrogen-bonded Turntrans-100.551.5178.5-76.6-19.5000111.2D961D961-D963 PolarHBondContact O-N 3.05Å
964D30.7Very low47.5Very low162 Ų162114.8 Ų114.887%0.86662%0.624SS**THydrogen-bonded Turntrans-147.420.8165.5-94.1-27.9000113.4
965D27.3Very low45.3Very low155 Ų155113.8 Ų113.883%0.82962%0.621SS**  trans-118.966.9164.9-83.5-23.7000110
966D30.9Very low42.5Very low245 Ų245122.2 Ų122.2100%1.3166%0.658SS**  trans-160.40151.4-94.7-24.6000112.6

Retrieved 966 of 966 residues in 933.7 ms (Link to these results)

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