A0A3B3ULR0_9TELE Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A3B3ULR0, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 371 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
1M43.8Very low46.8Very low242 Ų242153.1 Ų153.1100%1.19279%0.792SS**  0158.10-165.7175.8-87.200107.8
2A35.7Very low47.8Very low80 Ų80147 Ų14766%0.66177%0.766SS**  trans63.1122.1-157.200000112.4
3Q40.4Very low48.8Very low180 Ų180142.2 Ų142.284%0.84175%0.753SS**  cis74.8106.647.4-63.6171.9-53.700112.2
4R49.4Very low49.8Very low243 Ų243136.4 Ų136.492%0.91774%0.735SS**  64.686.576.5-82.3-164.1173.3-166.81.5113.8
5L42.3Very low51Low172 Ų172139.7 Ų139.790%0.90173%0.733SS**  trans-141.192151.9-87175.2000109.7
6L43.1Very low52.1Low175 Ų175140 Ų14092%0.91673%0.727SS**  trans-86.6120.7167.4-97.9163.5000108.5
7T47.6Very low53Low105 Ų105135.1 Ų135.164%0.64471%0.712SS**  trans-77.8147.7-168.450.20000113.4A9T7-A9 PolarHBondContact O-N 3.19Å; T7-A9 VanDerWaalsContact O-N 3.17Å
8S53.8Low54.2Low100 Ų100135.5 Ų135.570%0.69971%0.707SS**THydrogen-bonded Turntrans-60.6-27.7-171.8-165.80000114.5N10 R11S8-N10 VanDerWaalsContact C-N 3.33Å; S8-N10 PolarHBondContact O-N 3.5Å; S8-R11 PolarHBondContact O-N 3.18Å
9A51.1Low55.5Low66 Ų66134.2 Ų134.255%0.54570%0.699SS.*Hα-helixtrans-53.5-40.9-170.300000114.6T7 R11 V12 S13T7-A9 PolarHBondContact O-N 3.19Å; T7-A9 VanDerWaalsContact O-N 3.17Å; A9-R11 VanDerWaalsContact C-N 3.25Å; A9-R11 PolarHBondContact O-N 3.26Å; A9-V12 PolarHBondContact O-N 3.07Å; A9-V12 VanDerWaalsContact O-N 3.12Å; A9-S13 PolarHBondContact O-N 3.15Å
10N53.3Low56.4Low116 Ų116134.8 Ų134.862%0.6270%0.696SS**Hα-helixtrans-65.6-24.9-174.7-77.3-3.2000113.6S8 A14S8-N10 VanDerWaalsContact C-N 3.33Å; S8-N10 PolarHBondContact O-N 3.5Å; N10-A14 WeakPolarHBondContact O-CB 3.31Å; N10-A14 PolarHBondContact O-N 3.21Å
11R54.6Low57.2Low205 Ų205132.4 Ų132.477%0.77469%0.688SS**Hα-helixtrans-73.5-25.9176.5-74.9-175171.8-173.7-2.8113.3S8 A9 R15S8-R11 PolarHBondContact O-N 3.18Å; A9-R11 VanDerWaalsContact C-N 3.25Å; A9-R11 PolarHBondContact O-N 3.26Å; R11-R15 VanDerWaalsContact O-CG 3.31Å; R11-R15 WeakPolarHBondContact O-CG 3.43Å; R11-R15 PolarHBondContact O-N 3.17Å
12V58Low59Low80 Ų80125.8 Ų125.849%0.48566%0.657SS.*Hα-helixtrans-79.2-48178.6-179.70000110A9 A14 R15 F16A9-V12 PolarHBondContact O-N 3.07Å; A9-V12 VanDerWaalsContact O-N 3.12Å; V12-A14 PolarHBondContact O-N 3.11Å; V12-R15 PolarHBondContact O-N 3.43Å; V12-R15 VanDerWaalsContact O-N 3.15Å; V12-F16 HydrophobicContact CG1-CD2 3.82Å; V12-F16 HydrophobicContact CG1-CE2 3.67Å; V12-F16 WeakPolarHBondContact O-CD2 3.49Å; V12-F16 PolarHBondContact O-N 3.07Å; V12-F16 VanDerWaalsContact O-N 3.07Å
13S60.8Low61.2Low84 Ų84125.6 Ų125.659%0.58765%0.651SS**Hα-helixtrans-57.2-47.7177.3-175.60000112.5A9 R15 F16 A17A9-S13 PolarHBondContact O-N 3.15Å; S13-R15 VanDerWaalsContact C-N 3.29Å; S13-R15 PolarHBondContact O-N 3.39Å; S13-F16 PolarHBondContact O-N 3.12Å; S13-A17 PolarHBondContact O-N 3.43Å
14A62.8Low62.9Low62 Ų62122 Ų12251%0.51264%0.637SS.*Hα-helixtrans-61.4-34.1177.700000113.4N10 V12 F18N10-A14 WeakPolarHBondContact O-CB 3.31Å; N10-A14 PolarHBondContact O-N 3.21Å; V12-A14 PolarHBondContact O-N 3.11Å; A14-F18 WeakPolarHBondContact O-CB 3.28Å; A14-F18 PolarHBondContact O-N 3.22Å; A14-F18 VanDerWaalsContact O-N 3.12Å
15R67.9Low64.5Low186 Ų186113 Ų11370%0.70261%0.612SS**Hα-helixtrans-70-42.8175.7-78.4175.9171.7-165.3-4.3112R11 V12 S13 F18 I19R11-R15 VanDerWaalsContact O-CG 3.31Å; R11-R15 WeakPolarHBondContact O-CG 3.43Å; R11-R15 PolarHBondContact O-N 3.17Å; V12-R15 PolarHBondContact O-N 3.43Å; V12-R15 VanDerWaalsContact O-N 3.15Å; S13-R15 VanDerWaalsContact C-N 3.29Å; S13-R15 PolarHBondContact O-N 3.39Å; R15-F18 PolarHBondContact O-N 3.3Å; R15-I19 WeakPolarHBondContact O-CD1 3.42Å; R15-I19 VanDerWaalsContact O-CG1 3.28Å; R15-I19 WeakPolarHBondContact O-CG1 3.46Å; R15-I19 PolarHBondContact O-N 3.01Å
16F68.7Low66.3Low144 Ų144108.2 Ų108.263%0.63259%0.591SS**Hα-helixtrans-63.2-43.1174.8-83.4-70.7000112.1V12 S13 F18 I19 F20V12-F16 HydrophobicContact CG1-CD2 3.82Å; V12-F16 HydrophobicContact CG1-CE2 3.67Å; V12-F16 WeakPolarHBondContact O-CD2 3.49Å; V12-F16 PolarHBondContact O-N 3.07Å; V12-F16 VanDerWaalsContact O-N 3.07Å; S13-F16 PolarHBondContact O-N 3.12Å; F16-F18 PolarHBondContact O-N 3.37Å; F16-I19 PolarHBondContact O-N 2.96Å; F16-F20 WeakPolarHBondContact O-CB 3.4Å; F16-F20 PolarHBondContact O-N 3.42Å
17A67.8Low68.1Low57 Ų57102.7 Ų102.747%0.47157%0.571SS.*Hα-helixtrans-57.8-46.1175.600000112.1S13 F20 T21S13-A17 PolarHBondContact O-N 3.43Å; A17-F20 PolarHBondContact O-N 3.35Å; A17-T21 PolarHBondContact O-N 2.85Å; A17-T21 PolarHBondContact O-OG1 2.98Å
18F75Confident69.7Low142 Ų142105 Ų10562%0.62357%0.569SS**Hα-helixtrans-66.1-38.5178.8-172.7-95.1000113.3A14 R15 F16 F20 T21 L22A14-F18 WeakPolarHBondContact O-CB 3.28Å; A14-F18 PolarHBondContact O-N 3.22Å; A14-F18 VanDerWaalsContact O-N 3.12Å; R15-F18 PolarHBondContact O-N 3.3Å; F16-F18 PolarHBondContact O-N 3.37Å; F18-F20 VanDerWaalsContact C-N 3.33Å; F18-T21 PolarHBondContact O-OG1 3.12Å; F18-T21 VanDerWaalsContact O-OG1 3.11Å; F18-L22 VanDerWaalsContact O-CB 3.31Å; F18-L22 WeakPolarHBondContact O-CB 3.31Å; F18-L22 PolarHBondContact O-N 3.33Å
19I78.4Confident71Confident110 Ų110105.3 Ų105.356%0.56456%0.562SS**Hα-helixtrans-65.7-38.8174.8-69164.9000110.6R15 F16 L22 S23R15-I19 WeakPolarHBondContact O-CD1 3.42Å; R15-I19 VanDerWaalsContact O-CG1 3.28Å; R15-I19 WeakPolarHBondContact O-CG1 3.46Å; R15-I19 PolarHBondContact O-N 3.01Å; F16-I19 PolarHBondContact O-N 2.96Å; I19-L22 PolarHBondContact O-N 3.39Å; I19-S23 WeakPolarHBondContact O-CB 3.42Å; I19-S23 PolarHBondContact O-N 2.98Å
20F72.9Confident72.3Confident146 Ų146105.2 Ų105.264%0.6456%0.557SS**Hα-helixtrans-70.6-41.2-178.9-151.6-95.7000112.6F16 A17 F18 S23 L24F16-F20 WeakPolarHBondContact O-CB 3.4Å; F16-F20 PolarHBondContact O-N 3.42Å; A17-F20 PolarHBondContact O-N 3.35Å; F18-F20 VanDerWaalsContact C-N 3.33Å; F20-S23 PolarHBondContact O-N 3.28Å; F20-L24 HydrophobicContact CD1-CD1 3.79Å; F20-L24 HydrophobicContact CD1-CG 4.49Å; F20-L24 HydrophobicContact CE1-CD1 3.93Å; F20-L24 PolarHBondContact O-N 3.41Å
21T74.8Confident73.4Confident86 Ų86106.2 Ų106.253%0.52855%0.553SS.*Hα-helixtrans-67.1-38.217454.30000112.2A17 F18 L24 S25A17-T21 PolarHBondContact O-N 2.85Å; A17-T21 PolarHBondContact O-OG1 2.98Å; F18-T21 PolarHBondContact O-OG1 3.12Å; F18-T21 VanDerWaalsContact O-OG1 3.11Å; T21-L24 PolarHBondContact O-N 3.49Å; T21-S25 PolarHBondContact O-N 3.44Å; T21-S25 PolarHBondContact O-OG 3.45Å
22L80.4Confident74.1Confident102 Ų10298.8 Ų98.853%0.53453%0.529SS..Hα-helixtrans-63.7-42.5175.2-170.665.1000111.4F18 I19 S25 C26F18-L22 VanDerWaalsContact O-CB 3.31Å; F18-L22 WeakPolarHBondContact O-CB 3.31Å; F18-L22 PolarHBondContact O-N 3.33Å; I19-L22 PolarHBondContact O-N 3.39Å; L22-S25 PolarHBondContact O-N 2.96Å; L22-S25 PolarHBondContact O-OG 3.29Å; L22-C26 WeakPolarHBondContact O-CB 3.3Å; L22-C26 PolarHBondContact O-N 2.91Å
23S82.1Confident74.9Confident76 Ų76101 Ų10153%0.53154%0.536SS..Hα-helixtrans-59.1-47.4174.3-173.20000112.4I19 F20 S25 C26 A27I19-S23 WeakPolarHBondContact O-CB 3.42Å; I19-S23 PolarHBondContact O-N 2.98Å; F20-S23 PolarHBondContact O-N 3.28Å; S23-S25 PolarHBondContact O-N 3.02Å; S23-C26 PolarHBondContact O-N 2.94Å; S23-A27 WeakPolarHBondContact O-CB 3.42Å; S23-A27 PolarHBondContact O-N 3.3Å
24L77.1Confident75.3Confident104 Ų104102.6 Ų102.655%0.54554%0.537SS..Hα-helixtrans-61.8-42176.8-78.8163.6000112.7F20 T21 A27 Y28F20-L24 HydrophobicContact CD1-CD1 3.79Å; F20-L24 HydrophobicContact CD1-CG 4.49Å; F20-L24 HydrophobicContact CE1-CD1 3.93Å; F20-L24 PolarHBondContact O-N 3.41Å; T21-L24 PolarHBondContact O-N 3.49Å; L24-A27 PolarHBondContact O-N 3.46Å; L24-Y28 WeakPolarHBondContact O-CB 3.42Å; L24-Y28 PolarHBondContact O-N 3.21Å
25S81.4Confident74.9Confident56 Ų56105.9 Ų105.939%0.39254%0.54SS..Hα-helixtrans-67.1-37.5177.871.70000112.5T21 L22 S23 Y28 L29T21-S25 PolarHBondContact O-N 3.44Å; T21-S25 PolarHBondContact O-OG 3.45Å; L22-S25 PolarHBondContact O-N 2.96Å; L22-S25 PolarHBondContact O-OG 3.29Å; S23-S25 PolarHBondContact O-N 3.02Å; S25-Y28 PolarHBondContact O-N 3Å; S25-L29 WeakPolarHBondContact O-CG 3.28Å; S25-L29 PolarHBondContact O-N 3.44Å
26C80.8Confident73.9Confident70 Ų70106.4 Ų106.447%0.47354%0.543SS..Hα-helixtrans-66.3-44.8174.8-1670000111.5L22 S23 Y28 L29 C30L22-C26 WeakPolarHBondContact O-CB 3.3Å; L22-C26 PolarHBondContact O-N 2.91Å; S23-C26 PolarHBondContact O-N 2.94Å; C26-Y28 VanDerWaalsContact C-N 3.31Å; C26-Y28 PolarHBondContact O-N 3.38Å; C26-L29 PolarHBondContact O-N 2.93Å; C26-C30 PolarHBondContact O-N 3Å; C26-C30 PolarHBondContact O-SG 3.25Å; C26-C30 VanDerWaalsContact O-SG 3.41Å
27A81.7Confident72.7Confident59 Ų59111 Ų11149%0.48856%0.557SS.*Hα-helixtrans-59.7-40.1174.500000112.4S23 L24 C30 Y31S23-A27 WeakPolarHBondContact O-CB 3.42Å; S23-A27 PolarHBondContact O-N 3.3Å; L24-A27 PolarHBondContact O-N 3.46Å; A27-C30 PolarHBondContact O-N 3.4Å; A27-Y31 WeakPolarHBondContact O-CB 3.48Å; A27-Y31 PolarHBondContact O-N 2.97Å
28Y81.3Confident71.4Confident154 Ų154111.9 Ų111.960%0.60457%0.571SS**Hα-helixtrans-66.1-40175.7-175.7-103.7000112.7L24 S25 C26 Y31 N32L24-Y28 WeakPolarHBondContact O-CB 3.42Å; L24-Y28 PolarHBondContact O-N 3.21Å; S25-Y28 PolarHBondContact O-N 3Å; C26-Y28 VanDerWaalsContact C-N 3.31Å; C26-Y28 PolarHBondContact O-N 3.38Å; Y28-Y31 PolarHBondContact O-N 3.4Å; Y28-N32 VanDerWaalsContact CE1-ND2 3.28Å; Y28-N32 WeakPolarHBondContact CE1-ND2 3.46Å; Y28-N32 VanDerWaalsContact CZ-ND2 3.33Å; Y28-N32 PolarHBondContact O-N 3Å; Y28-N32 PolarHBondContact O-ND2 3.34Å
29L80.8Confident69.7Low107 Ų107109.3 Ų109.356%0.5658%0.576SS**Hα-helixtrans-64.5-44.7173.9-74.8166.2000111.7S25 C26 Y31 N32 I33S25-L29 WeakPolarHBondContact O-CG 3.28Å; S25-L29 PolarHBondContact O-N 3.44Å; C26-L29 PolarHBondContact O-N 2.93Å; L29-Y31 PolarHBondContact O-N 3.31Å; L29-N32 PolarHBondContact O-N 2.97Å; L29-I33 VanDerWaalsContact O-CG1 3.3Å; L29-I33 WeakPolarHBondContact O-CG1 3.35Å; L29-I33 PolarHBondContact O-N 2.82Å
30C76.9Confident67.7Low63 Ų63110 Ų11043%0.42659%0.585SS.*Hα-helixtrans-60.1-42.7174.1-69.80000112.2C26 A27 I33 I34C26-C30 PolarHBondContact O-N 3Å; C26-C30 PolarHBondContact O-SG 3.25Å; C26-C30 VanDerWaalsContact O-SG 3.41Å; A27-C30 PolarHBondContact O-N 3.4Å; C30-I33 PolarHBondContact O-N 3.05Å; C30-I34 WeakPolarHBondContact O-CB 3.48Å; C30-I34 WeakPolarHBondContact O-CD1 3.44Å; C30-I34 VanDerWaalsContact O-CG1 3.25Å; C30-I34 WeakPolarHBondContact O-CG1 3.37Å; C30-I34 PolarHBondContact O-N 3.47Å
31Y77.8Confident65.6Low137 Ų137112.1 Ų112.154%0.53760%0.599SS.*Hα-helixtrans-59-48.9175.1-177.2-91.1000111.4A27 Y28 L29 I33 I34 F35A27-Y31 WeakPolarHBondContact O-CB 3.48Å; A27-Y31 PolarHBondContact O-N 2.97Å; Y28-Y31 PolarHBondContact O-N 3.4Å; L29-Y31 PolarHBondContact O-N 3.31Å; Y31-I33 PolarHBondContact O-N 2.98Å; Y31-I34 PolarHBondContact O-N 3.38Å; Y31-F35 HydrophobicContact CD1-CD2 4.27Å; Y31-F35 AromaticContact CD2-CD2 3.65Å; Y31-F35 HydrophobicContact CD2-CD2 3.65Å; Y31-F35 AromaticContact CD2-CE2 3.66Å; Y31-F35 HydrophobicContact CD2-CE2 3.66Å; Y31-F35 HydrophobicContact CE1-CD2 4.11Å; Y31-F35 HydrophobicContact CE1-CG 4.49Å; Y31-F35 AromaticContact CE2-CD2 3.46Å; Y31-F35 HydrophobicContact CE2-CD2 3.46Å; Y31-F35 VanDerWaalsContact CE2-CD2 3.46Å; Y31-F35 AromaticContact CE2-CE2 3.35Å; Y31-F35 HydrophobicContact CE2-CE2 3.35Å; Y31-F35 HydrophobicContact CE2-CG 4.37Å; Y31-F35 HydrophobicContact CE2-CZ 4.18Å; Y31-F35 HydrophobicContact CG-CD2 4.05Å; Y31-F35 HydrophobicContact CG-CE2 4.5Å; Y31-F35 AromaticContact CZ-CD2 3.7Å; Y31-F35 AromaticContact CZ-CE2 3.98Å; Y31-F35 WeakPolarHBondContact O-CD2 3.47Å; Y31-F35 PolarHBondContact O-N 3.45Å
32N69.3Low63.4Low50 Ų50113.1 Ų113.127%0.26761%0.605SS.*Hα-helixtrans-60.1-46177.2-80.5-86000111.8Y28 L29 I34 F35 Y36Y28-N32 VanDerWaalsContact CE1-ND2 3.28Å; Y28-N32 WeakPolarHBondContact CE1-ND2 3.46Å; Y28-N32 VanDerWaalsContact CZ-ND2 3.33Å; Y28-N32 PolarHBondContact O-N 3Å; Y28-N32 PolarHBondContact O-ND2 3.34Å; L29-N32 PolarHBondContact O-N 2.97Å; N32-I34 VanDerWaalsContact C-N 3.33Å; N32-I34 PolarHBondContact O-N 3.32Å; N32-F35 PolarHBondContact O-N 2.89Å; N32-Y36 WeakPolarHBondContact O-CB 3.25Å; N32-Y36 PolarHBondContact O-N 3.35Å
33I74.3Confident60.9Low126 Ų126116.1 Ų116.165%0.64662%0.622SS**Hα-helixtrans-61.7-38.6179.4-69.5164.2000112.2L29 C30 Y31L29-I33 VanDerWaalsContact O-CG1 3.3Å; L29-I33 WeakPolarHBondContact O-CG1 3.35Å; L29-I33 PolarHBondContact O-N 2.82Å; C30-I33 PolarHBondContact O-N 3.05Å; Y31-I33 PolarHBondContact O-N 2.98Å
34I69.9Low58.3Low118 Ų118120.5 Ų120.561%0.60563%0.634SS**Hα-helixtrans-69.9-45178-69.8165.5000111C30 Y31 N32C30-I34 WeakPolarHBondContact O-CB 3.48Å; C30-I34 WeakPolarHBondContact O-CD1 3.44Å; C30-I34 VanDerWaalsContact O-CG1 3.25Å; C30-I34 WeakPolarHBondContact O-CG1 3.37Å; C30-I34 PolarHBondContact O-N 3.47Å; Y31-I34 PolarHBondContact O-N 3.38Å; N32-I34 VanDerWaalsContact C-N 3.33Å; N32-I34 PolarHBondContact O-N 3.32Å
35F53.7Low55.8Low131 Ų131122 Ų12258%0.57565%0.648SS**Hα-helixtrans-88.6-18.8-172.3-75.8-82.6000115Y31 N32 R37Y31-F35 HydrophobicContact CD1-CD2 4.27Å; Y31-F35 AromaticContact CD2-CD2 3.65Å; Y31-F35 HydrophobicContact CD2-CD2 3.65Å; Y31-F35 AromaticContact CD2-CE2 3.66Å; Y31-F35 HydrophobicContact CD2-CE2 3.66Å; Y31-F35 HydrophobicContact CE1-CD2 4.11Å; Y31-F35 HydrophobicContact CE1-CG 4.49Å; Y31-F35 AromaticContact CE2-CD2 3.46Å; Y31-F35 HydrophobicContact CE2-CD2 3.46Å; Y31-F35 VanDerWaalsContact CE2-CD2 3.46Å; Y31-F35 AromaticContact CE2-CE2 3.35Å; Y31-F35 HydrophobicContact CE2-CE2 3.35Å; Y31-F35 HydrophobicContact CE2-CG 4.37Å; Y31-F35 HydrophobicContact CE2-CZ 4.18Å; Y31-F35 HydrophobicContact CG-CD2 4.05Å; Y31-F35 HydrophobicContact CG-CE2 4.5Å; Y31-F35 AromaticContact CZ-CD2 3.7Å; Y31-F35 AromaticContact CZ-CE2 3.98Å; Y31-F35 WeakPolarHBondContact O-CD2 3.47Å; Y31-F35 PolarHBondContact O-N 3.45Å; N32-F35 PolarHBondContact O-N 2.89Å; F35-R37 PolarHBondContact O-N 2.91Å
36Y46.6Very low53.2Low197 Ų197129.4 Ų129.477%0.77367%0.669SS**THydrogen-bonded Turntrans-69.6-13.5175.1-119.7-93.5000114.4N32 G38N32-Y36 WeakPolarHBondContact O-CB 3.25Å; N32-Y36 PolarHBondContact O-N 3.35Å; Y36-G38 VanDerWaalsContact C-N 3.33Å
37R43.9Very low50.6Low241 Ų241133.6 Ų133.691%0.90969%0.686SS**THydrogen-bonded Turntrans-88.88.2-178.5-116.9-178.9-177.9-161.8-0.5114.8F35F35-R37 PolarHBondContact O-N 2.91Å
38G41.1Very low48Very low74 Ų74133.9 Ų133.976%0.76370%0.695SS**  trans-102.936.6-175.500000116.3Y36Y36-G38 VanDerWaalsContact C-N 3.33Å
39A39.5Very low45.4Very low88 Ų88136.1 Ų136.173%0.72771%0.708SS**  trans-138.851.6-169.200000116
40V34.9Very low42.8Very low126 Ų126142.6 Ų142.676%0.76473%0.725SS**  trans-139.9110.2159-174.70000110.3
41M29.4Very low40.4Very low189 Ų189145.5 Ų145.593%0.93174%0.744SS**  trans-135.7132.4156.8-96.4-65.7143.800108.5
42T29.3Very low38.5Very low108 Ų108144.2 Ų144.266%0.66375%0.752SS**  trans-89147.3-162.346.80000113.2Q44T42-Q44 PolarHBondContact O-N 3.16Å
43N27.6Very low37.1Very low165 Ų165148.1 Ų148.188%0.88278%0.781SS**  trans-54123.2164.3-77.5-27.7000110.4
44Q27Very low34.8Very low167 Ų167147.9 Ų147.978%0.7879%0.79SS**  trans-120.6107.5158.7-81.3-168-22.700109.6T42T42-Q44 PolarHBondContact O-N 3.16Å
45T24.4Very low32.9Very low136 Ų136151 Ų15183%0.83480%0.799SS**  trans-66.7131.8165.246.10000110
46Y26.5Very low31.7Very low212 Ų212151.9 Ų151.983%0.83181%0.81SS**  trans-121122.3161.3-108.6-86.7000109.7
47D26.9Very low30.9Very low157 Ų157147.4 Ų147.484%0.8481%0.814SS**  trans-78.1149.8175.4-175.317000110.7
48G26.9Very low30Very low65 Ų65140 Ų14067%0.6781%0.812SS**  trans-155.715-158.200000117.1
49K26.5Very low29.4Very low201 Ų201140.3 Ų140.387%0.87482%0.815SS**  trans63.2114.2167.8-60176.6178.8176.90117.7
50R26Very low29.1Very low244 Ų244145.7 Ų145.792%0.92182%0.823SS**  trans-101.4148.4156.9-90.6-177.4174.7172.30.3110.6
51C27.5Very low28.8Very low124 Ų124149 Ų14984%0.83883%0.827SS**  trans178.3159.2143.8-108.30000110.5
52P37.3Very low28.8Very low109 Ų109146.8 Ų146.871%0.70882%0.818SS**  -126.9168.7-62.433.9-17.4000112.1
53P39.7Very low28.7Very low132 Ų132149.4 Ų149.486%0.85783%0.827SS**  trans-77.4142.3172.232.4-33.9000111.6
54S27.1Very low28.5Very low121 Ų121144.6 Ų144.685%0.84682%0.816SS**  trans-122.3138.6171.6-173.40000111.6
55K29.2Very low28.5Very low183 Ų183145.3 Ų145.380%0.79682%0.816SS**  trans-114.6134.9170.2-63.3175176.6177.10108.1
56N29.2Very low28.5Very low151 Ų151144.4 Ų144.481%0.80781%0.806SS**  163.4158.3118.8-87.4-16.6000113.9
57A29.9Very low28.6Very low102 Ų102139.9 Ų139.984%0.84380%0.796SS**  trans59.5133.8151.500000119.9
58G25.3Very low28.6Very low85 Ų85138.7 Ų138.788%0.87679%0.79SS**  trans-96.1160.4162.800000111.8
59G27.7Very low28.5Very low81 Ų81141 Ų14184%0.83580%0.795SS**  trans-157.5161.2176.600000110.7
60K32.4Very low28.5Very low202 Ų202135.1 Ų135.188%0.87878%0.783SS**  trans-110.8151.8-176.1-72175.6177.6170.60112
61K30.2Very low28.4Very low195 Ų195128.4 Ų128.485%0.84877%0.774SS**  trans83.1151.7142.9-101.2-176.9177.7-1730120.6
62L27.5Very low28.3Very low142 Ų142129.7 Ų129.774%0.74377%0.771SS**  trans94.185.1148.2-73.3157.4000122.2
63L27.4Very low27.7Very low164 Ų164131.2 Ų131.286%0.85977%0.774SS**  71.8141.4121.1-116.291.6000123.7
64G24.7Very low26.9Very low63 Ų63130.5 Ų130.565%0.64977%0.766SS**  trans13791.2172.200000110.3
65K26.9Very low26.8Very low182 Ų182136.8 Ų136.879%0.79177%0.772SS**  62.2129.178.9-72-149.8159.6-167.40113.3
66L24.9Very low26.6Very low118 Ų118133.4 Ų133.462%0.61877%0.771SS**  cis-158.3170.4-0.5-150.868.6000111.9
67D27.3Very low26.4Very low116 Ų116130.2 Ų130.262%0.6277%0.766SS**  trans68.8145.2157.6-58.3-32.8000119.9
68N27.1Very low26.1Very low133 Ų133134.2 Ų134.271%0.71176%0.764SS**  cis-168.1173-18.6-100.9-25.3000107.2
69C25.4Very low26Very low114 Ų114137.1 Ų137.177%0.7776%0.755SS**  cis-160.5174.7-6-114.30000105.1
70A26.3Very low25.9Very low76 Ų76144.7 Ų144.763%0.62876%0.759SS**  cis-158.5148.9-14.400000104.4
71S24.5Very low25.6Very low104 Ų104139 Ų13973%0.72776%0.757SS**  47.51316677.90000113.5
72L25Very low25.4Very low150 Ų150135.3 Ų135.379%0.78576%0.756SS**  cis-147.2-175.331.9-74156.8000109.9
73N24.3Very low25.4Very low141 Ų141134 Ų13475%0.75476%0.759SS**  cis-152.8172.87.7-144.9-20.5000113.1
74V23.6Very low25.5Very low117 Ų117132.3 Ų132.371%0.70975%0.751SS**  trans-94147.5176.6174.70000112
75R23.7Very low26.1Very low253 Ų253134.8 Ų134.896%0.95576%0.756SS**  trans-136.5147.6146.1-84.6-165.4174.2-179.8-0.9110.9
76S24.8Very low26.1Very low112 Ų112136.7 Ų136.778%0.78376%0.758SS**  trans-138.8164.4177.157.20000110.4
77A24.9Very low26.3Very low84 Ų84138.8 Ų138.869%0.69477%0.77SS**  trans120.6149.414500000118.4
78F23.7Very low26.4Very low186 Ų186141.9 Ų141.982%0.81678%0.78SS**  trans79.4115.7163.8-81.3-76.8000123.6
79Q24.6Very low26.5Very low147 Ų147141.5 Ų141.569%0.68779%0.788SS**  trans-32.2149.1156.9-51.1163.7-16.300116.6
80R25.6Very low26.7Very low239 Ų239146.2 Ų146.290%0.90280%0.796SS**  172.4169.697.2-90.5-176.7-173.6-173.12.2110.3
81G24.4Very low26.8Very low83 Ų83147.7 Ų147.786%0.85681%0.808SS**  trans120.3106.3160.500000114.8
82S26Very low27Very low117 Ų117152.4 Ų152.482%0.81882%0.818SS**  trans-116.9132.6169.855.40000110.1
83S28.7Very low27.1Very low116 Ų116149 Ų14981%0.81182%0.819SS**  trans-163.9129.2149.439.90000111.9
84D29.7Very low27.5Very low127 Ų127148 Ų14868%0.67982%0.823SS**  trans-75.7151.1153.6-165.526.6000107.2
85P35.8Very low28.4Very low116 Ų116148.9 Ų148.975%0.75383%0.831SS**  -138141.9123.236.3-25.9000114
86R28Very low28.7Very low221 Ų221140.4 Ų140.483%0.83482%0.823SS**  trans-73150.3160.4-50.3169.7-167.1169.21.8109.1
87D28.7Very low29.6Very low163 Ų163139.8 Ų139.887%0.87282%0.824SS**  trans-139.5157.5152.6-157.50.4000110.6
88Q29.1Very low30.3Very low180 Ų180145.2 Ų145.284%0.84184%0.835SS**  trans-120135.5-178.3-63.4-175.88.900110.7
89S29.1Very low31Very low126 Ų126139.1 Ų139.188%0.88182%0.824SS**  trans-143.6134.3156.447.90000111.4
90K30.2Very low32.1Very low213 Ų213137.1 Ų137.193%0.92682%0.822SS**  trans-97.3138163.7-72.2177.3177.31750107.9
91A27.6Very low33.1Very low106 Ų106131 Ų13188%0.87681%0.807SS**  trans-145.6143.8157.200000109.5
92Q29.2Very low34.3Very low204 Ų204130.6 Ų130.695%0.95380%0.796SS**  trans-99.7162.5171-63.3165.1-73.200108.9
93G28.3Very low35.4Very low77 Ų77131 Ų13179%0.79479%0.789SS**  trans127.199.1160.300000116
94S31.3Very low36.5Very low122 Ų122128.8 Ų128.885%0.85377%0.768SS**  trans-75.4149.4138-62.80000107.4
95P44Very low37.6Very low135 Ų135131.1 Ų131.188%0.87777%0.772SS**  cis-141175.649.940.8-23.3000116.1
96G29.1Very low38.8Very low75 Ų75133 Ų13377%0.77378%0.776SS**  trans151.2120.5168.100000113.1H98G96-H98 PolarHBondContact O-N 3.4Å
97A44.6Very low40.7Very low99 Ų99126.1 Ų126.182%0.81875%0.754SS**  trans-97.985.7-17400000113.2
98H39.7Very low43.1Very low198 Ų198121.4 Ų121.492%0.91773%0.734SS**  trans-142.994.8163.7-80.2-61.5000110.8G96G96-H98 PolarHBondContact O-N 3.4Å
99G37.6Very low45.4Very low57 Ų57117.3 Ų117.359%0.58872%0.721SS**  trans-155.811.2-173.500000117
100T47.4Very low47.6Very low106 Ų106111.6 Ų111.665%0.6568%0.681SS**SBendtrans-84.4-45-173.640.60000113.9A102T100-A102 PolarHBondContact O-N 3.17Å
101D47.4Very low50Low109 Ų109105.5 Ų105.558%0.58366%0.656SS**Hα-helixtrans-71.2-28.6-170.5-78.5-43.7000115.1N103 L104 K105D101-N103 VanDerWaalsContact C-N 3.34Å; D101-N103 PolarHBondContact O-N 3.11Å; D101-L104 PolarHBondContact O-N 2.7Å; D101-K105 PolarHBondContact O-N 2.83Å
102A48Very low52.5Low75 Ų75105.2 Ų105.262%0.6264%0.635SS**Hα-helixtrans-63.2-39.8-179.400000112.1T100T100-A102 PolarHBondContact O-N 3.17Å
103N50.5Low55.2Low127 Ų127102.9 Ų102.968%0.67962%0.619SS**Hα-helixtrans-70.1-33.9177.9-96.1-45.1000112.7D101 K105 M107D101-N103 VanDerWaalsContact C-N 3.34Å; D101-N103 PolarHBondContact O-N 3.11Å; N103-K105 VanDerWaalsContact C-N 3.31Å; N103-K105 PolarHBondContact O-N 2.75Å; N103-M107 WeakPolarHBondContact O-CG 3.5Å
104L50.8Low58.2Low69 Ų6999.3 Ų99.336%0.36158%0.582SS.*Hα-helixtrans-69-26.4-177.9-74.4168000113.5D101 N106 M107D101-L104 PolarHBondContact O-N 2.7Å; L104-N106 VanDerWaalsContact C-N 3.35Å; L104-N106 PolarHBondContact O-N 3.36Å; L104-M107 HydrophobicContact CD2-SD 3.94Å; L104-M107 PolarHBondContact O-N 2.9Å
105K54.1Low61.2Low175 Ų17598.3 Ų98.376%0.76157%0.567SS**THydrogen-bonded Turntrans-69.3-26.9-176.7-72.6177.7-178.7-179.70114.1D101 N103D101-K105 PolarHBondContact O-N 2.83Å; N103-K105 VanDerWaalsContact C-N 3.31Å; N103-K105 PolarHBondContact O-N 2.75Å
106N59.4Low63.7Low156 Ų15696.3 Ų96.383%0.83455%0.545SS*.THydrogen-bonded Turntrans-100.47.1-179.3-73-18.7000113.9L104L104-N106 VanDerWaalsContact C-N 3.35Å; L104-N106 PolarHBondContact O-N 3.36Å
107M69.4Low66.9Low76 Ų7695.4 Ų95.437%0.37452%0.519SS..SBendtrans-87.9126179.4-70.8172.268.600111.4N103 L104 Q111N103-M107 WeakPolarHBondContact O-CG 3.5Å; L104-M107 HydrophobicContact CD2-SD 3.94Å; L104-M107 PolarHBondContact O-N 2.9Å; M107-Q111 HydrophobicContact CB-CB 4.49Å; M107-Q111 HydrophobicContact CE-CB 4.33Å; M107-Q111 HydrophobicContact CE-CG 3.62Å
108S78.3Confident69.5Low64 Ų6492.7 Ų92.745%0.44849%0.491SS..  trans-56.2145.8173.3620000111.6A110 Q111 K112S108-A110 VanDerWaalsContact C-N 3.28Å; S108-A110 PolarHBondContact O-N 3.35Å; S108-A110 VanDerWaalsContact O-N 3.12Å; S108-Q111 WeakPolarHBondContact O-CA 3.46Å; S108-Q111 VanDerWaalsContact O-CB 3.25Å; S108-Q111 WeakPolarHBondContact O-CB 3.37Å; S108-Q111 PolarHBondContact O-N 3.48Å; S108-K112 PolarHBondContact O-N 3.44Å
109V78.3Confident72.2Confident94 Ų9483.4 Ų83.457%0.5745%0.448SS*.Hα-helixtrans-46.6-47.7-177.4-175.50000113Q111 K112 Y113 L173V109-Q111 PolarHBondContact O-N 2.63Å; V109-K112 PolarHBondContact O-N 3.04Å; V109-Y113 HydrophobicContact CG1-CD2 3.93Å; V109-Y113 PolarHBondContact O-N 3.48Å; V109-L173 HydrophobicContact CG1-CD1 4.22Å
110A75.2Confident74.9Confident6 Ų684.7 Ų84.75%0.0544%0.441CS..Hα-helixtrans-61.1-26.9177.500000114.2S108 G114 R171 L173S108-A110 VanDerWaalsContact C-N 3.28Å; S108-A110 PolarHBondContact O-N 3.35Å; S108-A110 VanDerWaalsContact O-N 3.12Å; A110-G114 WeakPolarHBondContact O-CA 3.48Å; A110-G114 PolarHBondContact O-N 3.22Å; A110-R171 WeakPolarHBondContact O-CB 3.39Å; A110-L173 HydrophobicContact CB-CD2 4.5Å; A110-L173 HydrophobicContact CB-CG 4.08Å
111Q79.2Confident77.3Confident85 Ų8579.7 Ų79.740%0.39741%0.411SS..Hα-helixtrans-78.7-28.6175.7-166.173.7200112.3M107 S108 V109 R171M107-Q111 HydrophobicContact CB-CB 4.49Å; M107-Q111 HydrophobicContact CE-CB 4.33Å; M107-Q111 HydrophobicContact CE-CG 3.62Å; S108-Q111 WeakPolarHBondContact O-CA 3.46Å; S108-Q111 VanDerWaalsContact O-CB 3.25Å; S108-Q111 WeakPolarHBondContact O-CB 3.37Å; S108-Q111 PolarHBondContact O-N 3.48Å; V109-Q111 PolarHBondContact O-N 2.63Å; Q111-R171 WeakPolarHBondContact O-CD 3.37Å
112K80.7Confident79.8Confident101 Ų10174.5 Ų74.544%0.43938%0.383SS..Hα-helixtrans-87.9-37.8-179.4-171.8176.5176.7-162.20112.9S108 V109S108-K112 PolarHBondContact O-N 3.44Å; V109-K112 PolarHBondContact O-N 3.04Å
113Y86.4Confident82.2Confident154 Ų15470.9 Ų70.960%0.60435%0.353SS*.Hα-helixtrans-121.6-15.8-173.8-57.4-77.4000114.7V109V109-Y113 HydrophobicContact CG1-CD2 3.93Å; V109-Y113 PolarHBondContact O-N 3.48Å
114G90.4Very high84.5Confident2 Ų264.9 Ų64.92%0.02132%0.321CS..  trans-82.2160.5-178.300000113.6A110 R171 T172A110-G114 WeakPolarHBondContact O-CA 3.48Å; A110-G114 PolarHBondContact O-N 3.22Å; G114-R171 WeakPolarHBondContact O-CB 3.37Å; G114-R171 WeakPolarHBondContact O-CD 3.41Å; G114-R171 WeakPolarHBondContact O-CG 3.34Å; G114-R171 PolarHBondContact O-NH1 3.41Å; G114-T172 CarbonylContact C-O 3.58Å; G114-T172 WeakPolarHBondContact CA-O 3.42Å
115N94.5Very high86.8Confident101 Ų10161.6 Ų61.654%0.5430%0.304SS..EExtended strand (participates in β ladder)trans-111.7158.3-178.5-74.6-44.2000112.5R171 T172N115-R171 WeakPolarHBondContact O-CA 3.47Å; N115-R171 PolarHBondContact OD1-NH1 3.2Å; N115-T172 PolarHBondContact N-O 2.88Å; N115-T172 PolarHBondContact O-N 3.14Å; N115-T172 PolarHBondContact O-OG1 3.15Å
116K96.9Very high88.9Confident94 Ų9453.2 Ų53.241%0.40927%0.268SS..EExtended strand (participates in β ladder)trans-82.9114.9174.7-68.4-167.6173.6-176.80109.3R166 G167 M169 R171K116-R166 WeakPolarHBondContact O-CD 3.22Å; K116-R166 WeakPolarHBondContact O-CG 3.36Å; K116-G167 PolarHBondContact NZ-O 3.24Å; K116-M169 WeakPolarHBondContact CD-O 3.4Å; K116-M169 WeakPolarHBondContact CE-O 3.31Å; K116-M169 WeakPolarHBondContact CG-O 3.36Å; K116-R171 HydrophobicContact CG-CG 3.96Å
117K96Very high90.8Very high55 Ų5549.3 Ų49.324%0.23924%0.243CC..  trans-108.7162.1179.9-62.4-179.9-177.7176.90110.1M169 L173 D174K117-M169 VanDerWaalsContact O-CB 3.31Å; K117-M169 WeakPolarHBondContact O-CB 3.31Å; K117-M169 VanDerWaalsContact O-CG 3.31Å; K117-M169 WeakPolarHBondContact O-CG 3.39Å; K117-L173 PolarHBondContact NZ-O 2.92Å; K117-D174 IonicContact NZ-OD1 2.67Å; K117-D174 PolarHBondContact NZ-OD1 2.91Å
118L97.9Very high92.1Very high43 Ų4347.5 Ų47.523%0.22523%0.233CC..  trans-70.9149164.9-69.9170.2000109N120 L162 Y165 R166 M198L118-N120 PolarHBondContact O-N 2.97Å; L118-L162 HydrophobicContact CD1-CD2 4.49Å; L118-L162 HydrophobicContact CD2-CD2 4.27Å; L118-Y165 HydrophobicContact CD2-CD1 3.72Å; L118-Y165 HydrophobicContact CD2-CE1 4.33Å; L118-R166 HydrophobicContact CD2-CB 3.83Å; L118-R166 HydrophobicContact CD2-CG 4.27Å; L118-R166 HydrophobicContact CG-CB 4.35Å; L118-R166 HydrophobicContact CG-CG 4.27Å; L118-M198 HydrophobicContact CB-SD 4.09Å; L118-M198 HydrophobicContact CD1-CG 3.93Å; L118-M198 HydrophobicContact CD1-SD 4.12Å; L118-M198 HydrophobicContact CD2-SD 4Å; L118-M198 HydrophobicContact CG-SD 4.29Å
119P97.6Very high93.1Very high3 Ų344.7 Ų44.72%0.01921%0.214CC..  trans-67.3126.7-177.926.1-33.3000111.9A121 L122 Y165 M169 T178 E180 M198P119-A121 VanDerWaalsContact C-N 3.27Å; P119-L122 HydrophobicContact CB-CD2 3.87Å; P119-L122 HydrophobicContact CG-CD2 3.59Å; P119-Y165 HydrophobicContact CG-CE1 3.8Å; P119-Y165 WeakPolarHBondContact CG-OH 3.5Å; P119-M169 HydrophobicContact CG-CE 4.09Å; P119-M169 HydrophobicContact CG-SD 4.49Å; P119-T178 CarbonylContact C-O 3.36Å; P119-T178 VanDerWaalsContact CA-O 3.26Å; P119-T178 WeakPolarHBondContact CA-O 2.8Å; P119-T178 HydrophobicContact CB-CG2 4.23Å; P119-T178 WeakPolarHBondContact CB-O 3.49Å; P119-E180 HydrophobicContact CG-CG 4.43Å; P119-M198 HydrophobicContact CG-CE 4.39Å
120N94.1Very high94Very high83 Ų8341.3 Ų41.344%0.44420%0.198SC..SBendtrans-74.3-22.5176-44.790.4000111.7L118 I177 T178 K203L118-N120 PolarHBondContact O-N 2.97Å; N120-I177 HydrophobicContact CB-CG2 4.35Å; N120-T178 PolarHBondContact N-O 3.44Å; N120-T178 PolarHBondContact OD1-N 2.87Å; N120-T178 VanDerWaalsContact OD1-N 3.1Å; N120-K203 PolarHBondContact O-N 2.96Å
121A98.4Very high95.1Very high1 Ų141.5 Ų41.51%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-145.9150.4176.600000113.1P119 L179 K203 L296P119-A121 VanDerWaalsContact C-N 3.27Å; A121-L179 HydrophobicContact CB-CD2 3.59Å; A121-L179 WeakPolarHBondContact O-CD2 3.46Å; A121-K203 CarbonylContact C-O 3.53Å; A121-K203 WeakPolarHBondContact CA-O 3.38Å; A121-K203 HydrophobicContact CB-CB 3.81Å; A121-K203 VanDerWaalsContact CB-O 3.31Å; A121-K203 WeakPolarHBondContact CB-O 3.29Å; A121-L296 HydrophobicContact CB-CD2 3.53Å
122L98.9Very high95.9Very high0 Ų039.4 Ų39.40%019%0.188CC..EExtended strand (participates in β ladder)trans-129.9130-170.8-59.6176.5000111.4P119 V124 F154 E180 I195 T202 K203 L204 I205P119-L122 HydrophobicContact CB-CD2 3.87Å; P119-L122 HydrophobicContact CG-CD2 3.59Å; L122-V124 HydrophobicContact CB-CG1 3.62Å; L122-V124 HydrophobicContact CD1-CG1 4.37Å; L122-V124 PolarHBondContact O-N 2.77Å; L122-F154 HydrophobicContact CD1-CE2 4.09Å; L122-E180 HydrophobicContact CD2-CG 3.39Å; L122-I195 HydrophobicContact CD1-CB 4.38Å; L122-I195 HydrophobicContact CD1-CD1 3.73Å; L122-I195 HydrophobicContact CD1-CG1 3.86Å; L122-I195 HydrophobicContact CD1-CG2 3.51Å; L122-T202 HydrophobicContact CD1-CG2 3.9Å; L122-T202 HydrophobicContact CG-CG2 3.9Å; L122-K203 PolarHBondContact N-O 2.97Å; L122-L204 HydrophobicContact CB-CD2 4.23Å; L122-L204 HydrophobicContact CD1-CD2 4.31Å; L122-I205 PolarHBondContact O-N 3.12Å
123I98.9Very high96.7Very high0 Ų035.3 Ų35.30%017%0.172CC..EExtended strand (participates in β ladder)trans-88.186.6167.2-50.5178.1000108.6T131 V134 L135 E180 K181 T182 I205 V207I123-T131 HydrophobicContact CG2-CG2 3.77Å; I123-V134 HydrophobicContact CD1-CB 4.21Å; I123-V134 HydrophobicContact CD1-CG1 3.9Å; I123-L135 HydrophobicContact CD1-CB 4.08Å; I123-L135 HydrophobicContact CD1-CD1 4.04Å; I123-E180 PolarHBondContact N-O 3.11Å; I123-K181 HydrophobicContact CB-CB 3.87Å; I123-K181 HydrophobicContact CB-CG 3.79Å; I123-K181 HydrophobicContact CD1-CB 4.4Å; I123-K181 HydrophobicContact CD1-CG 4.48Å; I123-K181 HydrophobicContact CG1-CB 4.49Å; I123-K181 HydrophobicContact CG2-CG 3.92Å; I123-K181 WeakPolarHBondContact O-CA 3.36Å; I123-T182 PolarHBondContact O-N 2.94Å; I123-T182 VanDerWaalsContact O-N 3.17Å; I123-I205 CarbonylContact C-O 3.59Å; I123-I205 WeakPolarHBondContact CA-O 3.34Å; I123-I205 HydrophobicContact CB-CB 4.48Å; I123-I205 HydrophobicContact CG1-CB 4.1Å; I123-I205 HydrophobicContact CG1-CD1 4.3Å; I123-I205 HydrophobicContact CG1-CG2 4.32Å; I123-I205 HydrophobicContact CG2-CG2 4.3Å; I123-V207 HydrophobicContact CG2-CG2 4.08Å
124V98.9Very high97.3Very high0 Ų028 Ų280%014%0.144CC..EExtended strand (participates in β ladder)trans-80.1-19.3-168.5-57.70000114.4L122 P183 Y185 F186 I195 L204 I205 V206 W264L122-V124 HydrophobicContact CB-CG1 3.62Å; L122-V124 HydrophobicContact CD1-CG1 4.37Å; L122-V124 PolarHBondContact O-N 2.77Å; V124-P183 CarbonylContact O-C 3.59Å; V124-P183 WeakPolarHBondContact O-CA 3.33Å; V124-Y185 HydrophobicContact CG1-CD2 4.24Å; V124-F186 HydrophobicContact CG2-CD2 4.33Å; V124-F186 WeakPolarHBondContact O-CB 3.31Å; V124-F186 PolarHBondContact O-N 2.85Å; V124-I195 HydrophobicContact CG1-CD1 4.43Å; V124-L204 HydrophobicContact CG1-CD2 3.95Å; V124-I205 PolarHBondContact N-O 2.81Å; V124-V206 HydrophobicContact CG2-CG2 3.88Å; V124-W264 HydrophobicContact CB-CH2 3.87Å; V124-W264 HydrophobicContact CB-CZ2 4.03Å; V124-W264 HydrophobicContact CG1-CH2 3.73Å; V124-W264 HydrophobicContact CG1-CZ2 4.4Å; V124-W264 HydrophobicContact CG1-CZ3 4.28Å; V124-W264 HydrophobicContact CG2-CH2 4.05Å; V124-W264 HydrophobicContact CG2-CZ2 4.01Å
125G98.6Very high97.6Very high0 Ų027.9 Ų27.90%014%0.143CC..EExtended strand (participates in β ladder)trans-171.6178.7-174.800000114.1T131 V206 V207G125-T131 VanDerWaalsContact C-CG2 3.42Å; G125-T131 WeakPolarHBondContact O-CG2 3.45Å; G125-V206 CarbonylContact O-C 3.05Å; G125-V206 WeakPolarHBondContact O-CA 3.44Å; G125-V207 PolarHBondContact O-N 3.13Å
126V98.7Very high97.7Very high0 Ų025.1 Ų25.10%013%0.126CC..  cis-98.1156.7-10.7-49.30000111.1K128 G129 F186 V206 V207 V208 R214 Y257V126-K128 PolarHBondContact O-N 3.23Å; V126-G129 PolarHBondContact O-N 3.07Å; V126-F186 HydrophobicContact CG1-CD1 3.66Å; V126-F186 HydrophobicContact CG1-CE1 3.83Å; V126-F186 HydrophobicContact CG1-CG 4.23Å; V126-V206 HydrophobicContact CG1-CG1 3.79Å; V126-V207 WeakPolarHBondContact CG2-O 3.34Å; V126-V207 PolarHBondContact N-O 3.3Å; V126-V208 HydrophobicContact CG1-CG1 4.29Å; V126-R214 HydrophobicContact CG2-CG 4.28Å; V126-Y257 HydrophobicContact CB-CE1 4.17Å; V126-Y257 HydrophobicContact CG1-CD1 3.99Å; V126-Y257 HydrophobicContact CG1-CE1 3.78Å; V126-Y257 HydrophobicContact CG2-CE1 3.84Å
127K98.6Very high97.7Very high74 Ų7420.8 Ų20.832%0.32211%0.108SC..THydrogen-bonded Turntrans-53.6124.1169.1-171.2-170173.8-144.50109G129 P183 R214 D218 I254K127-G129 VanDerWaalsContact C-N 3.33Å; K127-G129 PolarHBondContact O-N 3.44Å; K127-P183 HydrophobicContact CB-CB 4.49Å; K127-P183 PolarHBondContact N-O 2.81Å; K127-R214 PolarHBondContact O-NH1 2.97Å; K127-D218 WeakPolarHBondContact CD-OD2 3.41Å; K127-D218 WeakPolarHBondContact CE-OD1 3.35Å; K127-D218 WeakPolarHBondContact CE-OD2 3.25Å; K127-D218 IonicContact NZ-OD1 3.57Å; K127-D218 PolarHBondContact NZ-OD1 3.09Å; K127-D218 IonicContact NZ-OD2 2.65Å; K127-D218 PolarHBondContact NZ-OD2 3.03Å; K127-I254 HydrophobicContact CB-CD1 4.41Å; K127-I254 HydrophobicContact CB-CG2 4.41Å; K127-I254 HydrophobicContact CD-CD1 3.71Å
128K98Very high97.8Very high37 Ų3718.2 Ų18.216%0.16110%0.097CC..THydrogen-bonded Turntrans73.7-8-174.1-47.4-58.2-50.7-143.10118.1V126 G130 R214 S217 D218 Q221V126-K128 PolarHBondContact O-N 3.23Å; K128-G130 PolarHBondContact O-N 3.44Å; K128-R214 HydrophobicContact CB-CG 4.15Å; K128-S217 WeakPolarHBondContact CE-O 3.34Å; K128-S217 VanDerWaalsContact CE-OG 3.29Å; K128-S217 WeakPolarHBondContact CE-OG 3.39Å; K128-S217 PolarHBondContact NZ-O 3.21Å; K128-S217 PolarHBondContact NZ-OG 2.98Å; K128-D218 HydrophobicContact CD-CB 4.34Å; K128-D218 HydrophobicContact CG-CB 3.7Å; K128-Q221 VanDerWaalsContact NZ-CB 3.34Å
129G97.8Very high97.7Very high5 Ų521.3 Ų21.35%0.05211%0.105CC..THydrogen-bonded Turntrans-66.6-38.7-174.800000114.7V126 K127 V207V126-G129 PolarHBondContact O-N 3.07Å; K127-G129 VanDerWaalsContact C-N 3.33Å; K127-G129 PolarHBondContact O-N 3.44Å; G129-V207 WeakPolarHBondContact CA-O 3.4Å
130G97.5Very high97.5Very high23 Ų2324 Ų2424%0.23712%0.119CC..SBendtrans154.7-10.1178.800000114.7K128 R132 A133K128-G130 PolarHBondContact O-N 3.44Å; G130-R132 VanDerWaalsContact C-N 3.27Å; G130-R132 PolarHBondContact O-N 3.15Å; G130-A133 WeakPolarHBondContact O-CB 3.34Å; G130-A133 PolarHBondContact O-N 2.98Å
131T98.2Very high97.6Very high11 Ų1120.2 Ų20.27%0.06710%0.098CC..Hα-helixtrans-29.3-43.5-177.259.40000118.4I123 G125 L135 K181 P183 V207I123-T131 HydrophobicContact CG2-CG2 3.77Å; G125-T131 VanDerWaalsContact C-CG2 3.42Å; G125-T131 WeakPolarHBondContact O-CG2 3.45Å; T131-L135 PolarHBondContact O-N 3.46Å; T131-K181 VanDerWaalsContact C-CD 3.47Å; T131-K181 WeakPolarHBondContact O-CD 3.28Å; T131-P183 HydrophobicContact CG2-CB 4.2Å; T131-P183 HydrophobicContact CG2-CG 4.1Å; T131-P183 WeakPolarHBondContact OG1-CG 3.22Å; T131-V207 HydrophobicContact CG2-CB 3.99Å; T131-V207 HydrophobicContact CG2-CG2 4Å
132R97.3Very high97.5Very high41 Ų4123.7 Ų23.716%0.15512%0.121CC..Hα-helixtrans-68.3-34.6177.5178.859.266.7171-0.7112.7G130 E136 G148 E150 L330G130-R132 VanDerWaalsContact C-N 3.27Å; G130-R132 PolarHBondContact O-N 3.15Å; R132-E136 WeakPolarHBondContact CD-OE1 3.38Å; R132-E136 HydrophobicContact CG-CG 4.44Å; R132-E136 IonicContact CZ-OE1 3.31Å; R132-E136 IonicContact NE-OE1 3.3Å; R132-E136 IonicContact NH1-OE1 3.14Å; R132-E136 PolarHBondContact NH1-OE1 2.56Å; R132-E136 WeakPolarHBondContact O-CG 3.34Å; R132-E136 PolarHBondContact O-N 3.23Å; R132-G148 VanDerWaalsContact CZ-O 3.3Å; R132-G148 PolarHBondContact NH1-O 2.93Å; R132-G148 PolarHBondContact NH2-O 3.45Å; R132-E150 IonicContact NH2-OE1 3.64Å; R132-E150 PolarHBondContact NH2-OE1 3.07Å; R132-L330 HydrophobicContact CG-CD2 4.34Å
133A97Very high97.4Very high14 Ų1425.9 Ų25.912%0.11613%0.133CC..Hα-helixtrans-63.2-53.8173.900000110.4G130 L135 E136 F137 L281 L330G130-A133 WeakPolarHBondContact O-CB 3.34Å; G130-A133 PolarHBondContact O-N 2.98Å; A133-L135 VanDerWaalsContact C-N 3.26Å; A133-L135 PolarHBondContact O-N 2.86Å; A133-E136 PolarHBondContact O-N 3.25Å; A133-E136 VanDerWaalsContact O-N 3.12Å; A133-F137 HydrophobicContact CB-CD2 4.5Å; A133-F137 HydrophobicContact CB-CE1 4.39Å; A133-F137 HydrophobicContact CB-CE2 4.04Å; A133-F137 HydrophobicContact CB-CZ 3.99Å; A133-F137 WeakPolarHBondContact O-CB 3.5Å; A133-F137 WeakPolarHBondContact O-CD1 3.34Å; A133-F137 WeakPolarHBondContact O-CG 3.43Å; A133-F137 PolarHBondContact O-N 2.75Å; A133-L281 HydrophobicContact CB-CD2 3.9Å; A133-L330 HydrophobicContact CB-CD1 3.92Å
134V98.3Very high97.4Very high0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-52.2-45.6175.8-178.20000111.4I123 F137 I138 V207 V276 L281 M289 V292I123-V134 HydrophobicContact CD1-CB 4.21Å; I123-V134 HydrophobicContact CD1-CG1 3.9Å; V134-F137 PolarHBondContact O-N 2.66Å; V134-I138 WeakPolarHBondContact O-CB 3.42Å; V134-I138 VanDerWaalsContact O-CG2 3.25Å; V134-I138 WeakPolarHBondContact O-CG2 3.27Å; V134-I138 PolarHBondContact O-N 3.11Å; V134-V207 HydrophobicContact CB-CG2 4.19Å; V134-V207 HydrophobicContact CG2-CG1 4.18Å; V134-V207 HydrophobicContact CG2-CG2 3.53Å; V134-V276 HydrophobicContact CG2-CG1 4Å; V134-L281 HydrophobicContact CG2-CD1 4.13Å; V134-L281 HydrophobicContact CG2-CD2 3.4Å; V134-L281 HydrophobicContact CG2-CG 4.43Å; V134-M289 HydrophobicContact CG1-CE 4.28Å; V134-M289 HydrophobicContact CG1-SD 4.17Å; V134-V292 HydrophobicContact CG1-CG1 4.43Å; V134-V292 HydrophobicContact CG1-CG2 4.43Å
135L98.1Very high97.3Very high0 Ų029.5 Ų29.50%015%0.147CC..Hα-helixtrans-62.1-47.8178-169.873.4000113.1I123 T131 A133 F137 R139 A146 K181I123-L135 HydrophobicContact CD1-CB 4.08Å; I123-L135 HydrophobicContact CD1-CD1 4.04Å; T131-L135 PolarHBondContact O-N 3.46Å; A133-L135 VanDerWaalsContact C-N 3.26Å; A133-L135 PolarHBondContact O-N 2.86Å; L135-F137 VanDerWaalsContact C-N 3.29Å; L135-F137 PolarHBondContact O-N 2.99Å; L135-R139 WeakPolarHBondContact O-CB 3.38Å; L135-R139 VanDerWaalsContact O-CD 3.23Å; L135-R139 WeakPolarHBondContact O-CD 3.48Å; L135-R139 WeakPolarHBondContact O-CG 3.22Å; L135-R139 PolarHBondContact O-N 3.02Å; L135-A146 HydrophobicContact CD1-CB 3.71Å; L135-A146 HydrophobicContact CG-CB 4.47Å; L135-K181 HydrophobicContact CB-CD 4.07Å; L135-K181 HydrophobicContact CD1-CB 4.09Å; L135-K181 HydrophobicContact CD2-CB 3.95Å; L135-K181 HydrophobicContact CD2-CD 4.02Å; L135-K181 HydrophobicContact CG-CB 4.43Å
136E96.4Very high97.2Very high43 Ų4330 Ų3020%0.20115%0.151CC..Hα-helixtrans-71.3-26.7178.8-57.8-40.8144.100112.6R132 A133 R139 L330R132-E136 WeakPolarHBondContact CD-OE1 3.38Å; R132-E136 HydrophobicContact CG-CG 4.44Å; R132-E136 IonicContact CZ-OE1 3.31Å; R132-E136 IonicContact NE-OE1 3.3Å; R132-E136 IonicContact NH1-OE1 3.14Å; R132-E136 PolarHBondContact NH1-OE1 2.56Å; R132-E136 WeakPolarHBondContact O-CG 3.34Å; R132-E136 PolarHBondContact O-N 3.23Å; A133-E136 PolarHBondContact O-N 3.25Å; A133-E136 VanDerWaalsContact O-N 3.12Å; E136-R139 IonicContact OE1-NH1 2.64Å; E136-R139 IonicContact OE2-CZ 3.73Å; E136-R139 IonicContact OE2-NH1 2.68Å; E136-R139 PolarHBondContact OE2-NH1 2.77Å; E136-L330 HydrophobicContact CB-CD2 4.25Å; E136-L330 HydrophobicContact CG-CD2 3.81Å
137F97.1Very high97.1Very high4 Ų430.9 Ų30.92%0.01816%0.156CC..Hα-helixtrans-75.6-48.7178.2-63.1-3.4000111.1A133 V134 L135 R139 I140 L281 P285 M289 I302 F307 P316 L318A133-F137 HydrophobicContact CB-CD2 4.5Å; A133-F137 HydrophobicContact CB-CE1 4.39Å; A133-F137 HydrophobicContact CB-CE2 4.04Å; A133-F137 HydrophobicContact CB-CZ 3.99Å; A133-F137 WeakPolarHBondContact O-CB 3.5Å; A133-F137 WeakPolarHBondContact O-CD1 3.34Å; A133-F137 WeakPolarHBondContact O-CG 3.43Å; A133-F137 PolarHBondContact O-N 2.75Å; V134-F137 PolarHBondContact O-N 2.66Å; L135-F137 VanDerWaalsContact C-N 3.29Å; L135-F137 PolarHBondContact O-N 2.99Å; F137-R139 PolarHBondContact O-N 3.46Å; F137-I140 WeakPolarHBondContact O-CB 3.38Å; F137-I140 PolarHBondContact O-N 2.92Å; F137-I140 VanDerWaalsContact O-N 3.12Å; F137-L281 HydrophobicContact CD2-CD1 3.96Å; F137-L281 HydrophobicContact CE2-CD1 4Å; F137-L281 HydrophobicContact CE2-CG 4.3Å; F137-P285 HydrophobicContact CE2-CB 4.02Å; F137-M289 HydrophobicContact CB-CE 4.25Å; F137-M289 HydrophobicContact CB-CG 3.99Å; F137-M289 HydrophobicContact CB-SD 3.87Å; F137-M289 HydrophobicContact CD2-CG 4.08Å; F137-M289 HydrophobicContact CD2-SD 4.19Å; F137-I302 VanDerWaalsContact O-CD1 3.29Å; F137-I302 WeakPolarHBondContact O-CD1 3.36Å; F137-F307 HydrophobicContact CB-CE1 4.22Å; F137-F307 HydrophobicContact CB-CZ 4.31Å; F137-F307 AromaticContact CD1-CE1 3.95Å; F137-F307 HydrophobicContact CD1-CE1 3.95Å; F137-F307 AromaticContact CD2-CE1 3.57Å; F137-F307 HydrophobicContact CD2-CE1 3.57Å; F137-F307 HydrophobicContact CD2-CZ 4.01Å; F137-F307 HydrophobicContact CE1-CE1 4.14Å; F137-F307 HydrophobicContact CE2-CD1 4.44Å; F137-F307 AromaticContact CE2-CE1 3.79Å; F137-F307 HydrophobicContact CE2-CE1 3.79Å; F137-F307 AromaticContact CG-CE1 3.65Å; F137-F307 HydrophobicContact CG-CE1 3.65Å; F137-F307 HydrophobicContact CG-CZ 4.16Å; F137-F307 HydrophobicContact CZ-CD1 4.44Å; F137-F307 HydrophobicContact CZ-CE1 4.06Å; F137-P316 HydrophobicContact CZ-CG 4.42Å; F137-L318 HydrophobicContact CD1-CD1 4.31Å; F137-L318 HydrophobicContact CD1-CD2 3.46Å; F137-L318 VanDerWaalsContact CD1-CD2 3.46Å; F137-L318 HydrophobicContact CD1-CG 4.04Å; F137-L318 HydrophobicContact CE1-CD2 3.78Å; F137-L318 HydrophobicContact CE1-CG 4.18Å; F137-L318 HydrophobicContact CG-CD2 4.24Å
138I97.5Very high96.8Very high1 Ų128.8 Ų28.81%0.00516%0.155CC..Hα-helixtrans-65.6-26.9-179.2-160.754.8000112.5V134 I140 H141 V144 L179 M289 V292 Q293 L296 L298 I302V134-I138 WeakPolarHBondContact O-CB 3.42Å; V134-I138 VanDerWaalsContact O-CG2 3.25Å; V134-I138 WeakPolarHBondContact O-CG2 3.27Å; V134-I138 PolarHBondContact O-N 3.11Å; I138-I140 PolarHBondContact O-N 3.17Å; I138-I140 VanDerWaalsContact O-N 3.12Å; I138-H141 WeakPolarHBondContact O-CB 3.43Å; I138-H141 PolarHBondContact O-N 2.89Å; I138-V144 HydrophobicContact CD1-CG2 4.48Å; I138-V144 HydrophobicContact CG1-CG1 4.2Å; I138-V144 HydrophobicContact CG1-CG2 4.14Å; I138-V144 HydrophobicContact CG2-CG1 4.19Å; I138-L179 HydrophobicContact CG1-CD1 4.27Å; I138-L179 HydrophobicContact CG2-CD1 3.62Å; I138-M289 HydrophobicContact CB-CE 3.64Å; I138-M289 HydrophobicContact CD1-CE 3.7Å; I138-M289 HydrophobicContact CG1-CE 4.12Å; I138-V292 HydrophobicContact CD1-CG1 4.08Å; I138-V292 HydrophobicContact CG1-CG1 4.35Å; I138-Q293 HydrophobicContact CD1-CG 4.04Å; I138-L296 HydrophobicContact CD1-CD1 4.2Å; I138-L296 HydrophobicContact CG1-CD1 4.05Å; I138-L298 HydrophobicContact CD1-CD1 4.09Å; I138-I302 HydrophobicContact CD1-CD1 3.97Å
139R95.6Very high96.7Very high108 Ų10831.3 Ų31.341%0.40817%0.174SC..THydrogen-bonded Turntrans-65.5-4.4173.2-75.2171.388.6-1597114.9L135 E136 F137 A146L135-R139 WeakPolarHBondContact O-CB 3.38Å; L135-R139 VanDerWaalsContact O-CD 3.23Å; L135-R139 WeakPolarHBondContact O-CD 3.48Å; L135-R139 WeakPolarHBondContact O-CG 3.22Å; L135-R139 PolarHBondContact O-N 3.02Å; E136-R139 IonicContact OE1-NH1 2.64Å; E136-R139 IonicContact OE2-CZ 3.73Å; E136-R139 IonicContact OE2-NH1 2.68Å; E136-R139 PolarHBondContact OE2-NH1 2.77Å; F137-R139 PolarHBondContact O-N 3.46Å; R139-A146 HydrophobicContact CG-CB 3.64Å
140I94.4Very high96.8Very high59 Ų5934.3 Ų34.330%0.30319%0.186SC..THydrogen-bonded Turntrans-74.4-31.5167.3-68.6165.6000111F137 I138 I302 H306 L318F137-I140 WeakPolarHBondContact O-CB 3.38Å; F137-I140 PolarHBondContact O-N 2.92Å; F137-I140 VanDerWaalsContact O-N 3.12Å; I138-I140 PolarHBondContact O-N 3.17Å; I138-I140 VanDerWaalsContact O-N 3.12Å; I140-I302 HydrophobicContact CB-CD1 4.34Å; I140-I302 HydrophobicContact CB-CG1 4.17Å; I140-I302 HydrophobicContact CG2-CG1 4.2Å; I140-H306 HydrophobicContact CD1-CB 4.38Å; I140-L318 HydrophobicContact CD1-CD1 3.83Å; I140-L318 HydrophobicContact CD1-CD2 3.49Å; I140-L318 VanDerWaalsContact CD1-CD2 3.49Å; I140-L318 HydrophobicContact CD1-CG 4.15Å; I140-L318 HydrophobicContact CG1-CD1 4.32Å
141H96.4Very high96.8Very high3 Ų333.7 Ų33.71%0.01418%0.178CC..SBendtrans-65.9129.7-176.4-168.3-76.7000110.5I138 D143 V144 K299 I302I138-H141 WeakPolarHBondContact O-CB 3.43Å; I138-H141 PolarHBondContact O-N 2.89Å; H141-D143 VanDerWaalsContact C-N 3.27Å; H141-D143 IonicContact CE1-OD2 3.84Å; H141-D143 PolarHBondContact CE1-OD2 2.92Å; H141-D143 VanDerWaalsContact CE1-OD2 3.3Å; H141-D143 PolarHBondContact ND1-N 2.88Å; H141-D143 VanDerWaalsContact ND1-N 3.14Å; H141-D143 IonicContact ND1-OD2 3.82Å; H141-D143 PolarHBondContact O-N 3.43Å; H141-V144 HydrophobicContact CB-CB 4.15Å; H141-V144 HydrophobicContact CB-CG2 3.81Å; H141-V144 PolarHBondContact O-N 2.86Å; H141-K299 PolarHBondContact CD2-O 3.21Å; H141-K299 PolarHBondContact NE2-O 3.49Å; H141-I302 HydrophobicContact CB-CD1 4.06Å
142P95.8Very high96.8Very high75 Ų7534.7 Ų34.749%0.48718%0.182SC..THydrogen-bonded Turntrans-59.5-36.6-174.822.3-33.5000112.9V144 Q176 I301P142-V144 PolarHBondContact O-N 3.3Å; P142-Q176 PolarHBondContact O-NE2 3.18Å; P142-I301 HydrophobicContact CG-CD1 3.87Å
143D97.3Very high96.9Very high46 Ų4632.8 Ų32.825%0.24618%0.175CC..THydrogen-bonded Turntrans-83.618.6177.2-53.6-75.7000114.7H141 S175 Q176 I177 L298H141-D143 VanDerWaalsContact C-N 3.27Å; H141-D143 IonicContact CE1-OD2 3.84Å; H141-D143 PolarHBondContact CE1-OD2 2.92Å; H141-D143 VanDerWaalsContact CE1-OD2 3.3Å; H141-D143 PolarHBondContact ND1-N 2.88Å; H141-D143 VanDerWaalsContact ND1-N 3.14Å; H141-D143 IonicContact ND1-OD2 3.82Å; H141-D143 PolarHBondContact O-N 3.43Å; D143-S175 PolarHBondContact OD1-OG 2.96Å; D143-Q176 CarbonylContact O-C 3.46Å; D143-Q176 VanDerWaalsContact O-CA 3.31Å; D143-Q176 WeakPolarHBondContact O-CA 3.46Å; D143-I177 PolarHBondContact O-N 3.12Å; D143-L298 HydrophobicContact CB-CD2 4.13Å
144V97.3Very high97Very high6 Ų632.1 Ų32.14%0.03617%0.169CC..EExtended strand (participates in β ladder)trans-121.1125.6178.6175.20000111.8I138 H141 P142 L179 L298I138-V144 HydrophobicContact CD1-CG2 4.48Å; I138-V144 HydrophobicContact CG1-CG1 4.2Å; I138-V144 HydrophobicContact CG1-CG2 4.14Å; I138-V144 HydrophobicContact CG2-CG1 4.19Å; H141-V144 HydrophobicContact CB-CB 4.15Å; H141-V144 HydrophobicContact CB-CG2 3.81Å; H141-V144 PolarHBondContact O-N 2.86Å; P142-V144 PolarHBondContact O-N 3.3Å; V144-L179 HydrophobicContact CG1-CD1 3.53Å; V144-L179 HydrophobicContact CG1-CG 4.16Å; V144-L298 HydrophobicContact CG2-CD1 3.41Å; V144-L298 VanDerWaalsContact CG2-CD1 3.41Å; V144-L298 HydrophobicContact CG2-CD2 4.33Å
145R97.2Very high97Very high70 Ų7033.6 Ų33.626%0.26418%0.177SC..EExtended strand (participates in β ladder)trans-127.5116.7178.6-59.4-66.3-70158.6-5.4108.7P170 R171 T172 Q176 I177 T178 L179R145-P170 HydrophobicContact CB-CB 4.39Å; R145-P170 HydrophobicContact CB-CG 3.94Å; R145-R171 PolarHBondContact NE-O 3.39Å; R145-T172 HydrophobicContact CB-CG2 3.51Å; R145-T172 HydrophobicContact CG-CG2 3.82Å; R145-Q176 HydrophobicContact CG-CB 4.13Å; R145-Q176 HydrophobicContact CG-CG 4.5Å; R145-I177 PolarHBondContact N-O 3.24Å; R145-T178 WeakPolarHBondContact O-CA 3.47Å; R145-L179 PolarHBondContact O-N 2.87Å
146A96.8Very high97Very high9 Ų941 Ų417%0.07421%0.205CC..EExtended strand (participates in β ladder)trans-124141.3-172.900000113.4L135 R139 G148 L179L135-A146 HydrophobicContact CD1-CB 3.71Å; L135-A146 HydrophobicContact CG-CB 4.47Å; R139-A146 HydrophobicContact CG-CB 3.64Å; A146-G148 PolarHBondContact O-N 3.3Å; A146-L179 CarbonylContact C-O 3.54Å; A146-L179 VanDerWaalsContact CA-O 3.27Å; A146-L179 WeakPolarHBondContact CA-O 3.49Å; A146-L179 HydrophobicContact CB-CB 3.82Å
147L96.9Very high97.1Very high20 Ų2040.8 Ų40.811%0.10521%0.205CC..  trans-66127.2168.5-178.454.2000110T149 P151 L168 M169 L179 E180L147-T149 WeakPolarHBondContact CD1-OG1 3.34Å; L147-P151 HydrophobicContact CD2-CB 3.84Å; L147-P151 HydrophobicContact CD2-CG 3.87Å; L147-L168 WeakPolarHBondContact CD1-O 3.44Å; L147-L168 HydrophobicContact CD2-CB 3.9Å; L147-L168 HydrophobicContact CD2-CD1 4.4Å; L147-M169 HydrophobicContact CB-SD 4.21Å; L147-M169 HydrophobicContact CD2-CE 4.03Å; L147-M169 HydrophobicContact CD2-SD 4.22Å; L147-L179 PolarHBondContact N-O 3.42Å; L147-E180 HydrophobicContact CB-CB 4.22Å
148G92.5Very high97.2Very high30 Ų3043.8 Ų43.831%0.30922%0.217SC..SBendtrans-78.2-28.1-175.300000114.4R132 A146R132-G148 VanDerWaalsContact CZ-O 3.3Å; R132-G148 PolarHBondContact NH1-O 2.93Å; R132-G148 PolarHBondContact NH2-O 3.45Å; A146-G148 PolarHBondContact O-N 3.3Å
149T96.3Very high97.2Very high90 Ų9050.8 Ų50.855%0.55226%0.255SS*.SBendtrans-86175.1176.345.60000111.5L147 P151L147-T149 WeakPolarHBondContact CD1-OG1 3.34Å; T149-P151 WeakPolarHBondContact O-CD 3.04Å
150E98.5Very high97.4Very high68 Ų6852.7 Ų52.732%0.31826%0.262SS..  trans-105.699175.6-34.3-156.5165.500104.9R132 H152 K181 P183R132-E150 IonicContact NH2-OE1 3.64Å; R132-E150 PolarHBondContact NH2-OE1 3.07Å; E150-H152 PolarHBondContact O-CD2 3.15Å; E150-H152 VanDerWaalsContact O-CD2 3.28Å; E150-H152 PolarHBondContact O-N 2.83Å; E150-K181 VanDerWaalsContact CG-NZ 3.32Å; E150-K181 IonicContact OE1-NZ 2.84Å; E150-K181 PolarHBondContact OE1-NZ 3.24Å; E150-K181 IonicContact OE2-NZ 2.86Å; E150-K181 PolarHBondContact OE2-NZ 2.97Å; E150-K181 VanDerWaalsContact OE2-NZ 3.09Å; E150-P183 WeakPolarHBondContact OE2-CD 3.46Å
151P98.1Very high97.6Very high10 Ų1051.3 Ų51.37%0.06526%0.262CS..  trans-65.8-22.6-166.724.5-37.1000114.3L147 T149 F153 Y165 L168 E180 T182L147-P151 HydrophobicContact CD2-CB 3.84Å; L147-P151 HydrophobicContact CD2-CG 3.87Å; T149-P151 WeakPolarHBondContact O-CD 3.04Å; P151-F153 PolarHBondContact O-N 3.32Å; P151-Y165 HydrophobicContact CB-CD2 4.44Å; P151-Y165 HydrophobicContact CB-CE2 4.15Å; P151-Y165 HydrophobicContact CG-CE2 3.97Å; P151-L168 HydrophobicContact CB-CD1 3.63Å; P151-E180 WeakPolarHBondContact CD-OE2 3.48Å; P151-E180 HydrophobicContact CG-CB 4.22Å; P151-E180 HydrophobicContact CG-CG 4.18Å; P151-E180 WeakPolarHBondContact CG-OE1 3.22Å; P151-E180 VanDerWaalsContact CG-OE2 3.31Å; P151-E180 WeakPolarHBondContact CG-OE2 3.26Å; P151-T182 VanDerWaalsContact CD-OG1 3.27Å; P151-T182 WeakPolarHBondContact CD-OG1 3.44Å
152H98.7Very high97.6Very high32 Ų3253.9 Ų53.915%0.14828%0.276CS..  trans51.842.7-179.1-73.5-68000113.4E150 D155 R156 N157 T182 S184E150-H152 PolarHBondContact O-CD2 3.15Å; E150-H152 VanDerWaalsContact O-CD2 3.28Å; E150-H152 PolarHBondContact O-N 2.83Å; H152-D155 WeakPolarHBondContact CA-OD1 3.44Å; H152-D155 VanDerWaalsContact CB-OD1 3.24Å; H152-D155 WeakPolarHBondContact CB-OD1 3.44Å; H152-D155 IonicContact CE1-OD2 3.72Å; H152-D155 IonicContact CG-OD1 3.21Å; H152-D155 IonicContact CG-OD2 3.09Å; H152-D155 IonicContact ND1-OD1 3.65Å; H152-D155 PolarHBondContact ND1-OD1 2.9Å; H152-D155 VanDerWaalsContact ND1-OD1 3.13Å; H152-D155 IonicContact ND1-OD2 2.77Å; H152-D155 PolarHBondContact ND1-OD2 3.43Å; H152-R156 HydrophobicContact CB-CB 4.21Å; H152-R156 HydrophobicContact CB-CG 4.3Å; H152-R156 PolarHBondContact CD2-NH1 3.1Å; H152-R156 PolarHBondContact CE1-NH1 3.27Å; H152-R156 PolarHBondContact CE1-NH2 3Å; H152-R156 PolarHBondContact ND1-NH1 3.16Å; H152-R156 PolarHBondContact ND1-NH2 3.14Å; H152-R156 PolarHBondContact NE2-NH1 2.97Å; H152-R156 VanDerWaalsContact NE2-NH1 3.11Å; H152-R156 CarbonylContact O-C 3.48Å; H152-R156 PolarHBondContact O-N 3.17Å; H152-N157 WeakPolarHBondContact O-CB 3.27Å; H152-N157 PolarHBondContact O-N 2.95Å; H152-N157 PolarHBondContact O-ND2 3.31Å; H152-T182 VanDerWaalsContact ND1-CG2 3.32Å; H152-T182 WeakPolarHBondContact ND1-CG2 3.39Å; H152-S184 PolarHBondContact CE1-OG 3.05Å; H152-S184 PolarHBondContact ND1-OG 3.39Å
153F98.8Very high97.8Very high1 Ų155.7 Ų55.70%0.00428%0.281CS..Iπ-helixtrans-76.5-63.5-178.5179-117.4000110.6P151 D155 R156 N157 Y158 G161 L162 W164 Y165 Y185P151-F153 PolarHBondContact O-N 3.32Å; F153-D155 PolarHBondContact O-N 3.36Å; F153-D155 VanDerWaalsContact O-N 3.09Å; F153-R156 PolarHBondContact O-N 3.22Å; F153-N157 WeakPolarHBondContact CD2-O 3.39Å; F153-N157 WeakPolarHBondContact CE2-O 3.42Å; F153-N157 CarbonylContact O-C 3.57Å; F153-N157 PolarHBondContact O-N 3.35Å; F153-N157 VanDerWaalsContact O-N 3.16Å; F153-Y158 HydrophobicContact CD1-CD2 4.29Å; F153-Y158 AromaticContact CE1-CD2 3.72Å; F153-Y158 HydrophobicContact CE1-CD2 3.72Å; F153-Y158 AromaticContact CE1-CE2 3.93Å; F153-Y158 HydrophobicContact CE1-CE2 3.93Å; F153-Y158 HydrophobicContact CE2-CD2 4.26Å; F153-Y158 WeakPolarHBondContact CE2-O 3.35Å; F153-Y158 AromaticContact CZ-CD2 3.7Å; F153-Y158 HydrophobicContact CZ-CD2 3.7Å; F153-Y158 HydrophobicContact CZ-CE2 4.05Å; F153-Y158 WeakPolarHBondContact O-CA 3.38Å; F153-Y158 PolarHBondContact O-N 3.45Å; F153-G161 WeakPolarHBondContact CE2-O 3.45Å; F153-L162 HydrophobicContact CE1-CD2 3.71Å; F153-L162 HydrophobicContact CZ-CD2 3.99Å; F153-L162 HydrophobicContact CZ-CG 4.5Å; F153-W164 HydrophobicContact CB-CZ3 4.35Å; F153-W164 AromaticContact CD2-CE3 3.88Å; F153-W164 HydrophobicContact CD2-CE3 3.88Å; F153-W164 AromaticContact CD2-CZ3 3.84Å; F153-W164 HydrophobicContact CD2-CZ3 3.84Å; F153-W164 HydrophobicContact CE2-CE3 4.38Å; F153-Y165 HydrophobicContact CB-CD2 3.37Å; F153-Y165 HydrophobicContact CB-CE2 3.5Å; F153-Y165 VanDerWaalsContact CB-CE2 3.5Å; F153-Y165 HydrophobicContact CB-CG 4.02Å; F153-Y165 AromaticContact CD1-CD1 3.58Å; F153-Y165 HydrophobicContact CD1-CD1 3.58Å; F153-Y165 AromaticContact CD1-CD2 3.76Å; F153-Y165 HydrophobicContact CD1-CD2 3.76Å; F153-Y165 AromaticContact CD1-CE1 3.88Å; F153-Y165 HydrophobicContact CD1-CE1 3.88Å; F153-Y165 HydrophobicContact CD1-CE2 4.03Å; F153-Y165 AromaticContact CD1-CG 3.5Å; F153-Y165 HydrophobicContact CD1-CG 3.5Å; F153-Y165 HydrophobicContact CD2-CD2 4.22Å; F153-Y165 HydrophobicContact CD2-CG 4.13Å; F153-Y165 AromaticContact CE1-CD1 3.85Å; F153-Y165 HydrophobicContact CE1-CD1 3.85Å; F153-Y165 HydrophobicContact CE1-CE1 4.42Å; F153-Y165 AromaticContact CE1-CG 3.97Å; F153-Y165 HydrophobicContact CE1-CG 3.97Å; F153-Y165 HydrophobicContact CG-CD1 4.17Å; F153-Y165 AromaticContact CG-CD2 3.52Å; F153-Y165 HydrophobicContact CG-CD2 3.52Å; F153-Y165 AromaticContact CG-CE2 3.98Å; F153-Y165 HydrophobicContact CG-CE2 3.98Å; F153-Y165 AromaticContact CG-CG 3.6Å; F153-Y165 HydrophobicContact CG-CG 3.6Å; F153-Y165 HydrophobicContact CZ-CG 4.45Å; F153-Y185 PolarHBondContact N-OH 2.72Å
154F98.8Very high97.8Very high0 Ų057.2 Ų57.20%028%0.283CS..Iπ-helixtrans-68.6-10.5-174.6-60.7-67.6000115L122 Y158 Y165 Y185 A191 R194 I195 M198L122-F154 HydrophobicContact CD1-CE2 4.09Å; F154-Y158 AromaticContact CD1-CD2 3.88Å; F154-Y158 HydrophobicContact CD1-CD2 3.88Å; F154-Y158 AromaticContact CD1-CE2 3.85Å; F154-Y158 HydrophobicContact CD1-CE2 3.85Å; F154-Y158 HydrophobicContact CE1-CD2 4.4Å; F154-Y158 HydrophobicContact CE1-CE2 4.03Å; F154-Y165 AromaticContact CE2-CE1 3.75Å; F154-Y165 HydrophobicContact CE2-CE1 3.75Å; F154-Y165 AromaticContact CE2-CZ 3.71Å; F154-Y165 WeakPolarHBondContact CE2-OH 3.47Å; F154-Y165 AromaticContact CZ-CE1 3.87Å; F154-Y165 HydrophobicContact CZ-CE1 3.87Å; F154-Y185 HydrophobicContact CB-CD1 4Å; F154-Y185 HydrophobicContact CB-CE1 3.73Å; F154-Y185 HydrophobicContact CB-CE2 4.4Å; F154-Y185 HydrophobicContact CB-CG 4.45Å; F154-Y185 HydrophobicContact CD2-CD2 4.28Å; F154-Y185 HydrophobicContact CD2-CE1 4.35Å; F154-Y185 AromaticContact CD2-CE2 3.64Å; F154-Y185 HydrophobicContact CD2-CE2 3.64Å; F154-Y185 AromaticContact CD2-CZ 3.68Å; F154-Y185 HydrophobicContact CG-CE2 4.5Å; F154-A191 HydrophobicContact CB-CB 4.21Å; F154-R194 HydrophobicContact CD1-CB 3.66Å; F154-R194 HydrophobicContact CE1-CB 4.25Å; F154-R194 WeakPolarHBondContact CE1-O 3.26Å; F154-R194 PolarHBondContact O-NH1 2.91Å; F154-I195 HydrophobicContact CB-CG1 4.29Å; F154-I195 HydrophobicContact CD1-CG1 3.84Å; F154-I195 HydrophobicContact CD2-CD1 3.95Å; F154-I195 HydrophobicContact CD2-CG1 3.44Å; F154-I195 VanDerWaalsContact CD2-CG1 3.44Å; F154-I195 HydrophobicContact CE1-CG1 3.9Å; F154-I195 HydrophobicContact CE2-CD1 4.38Å; F154-I195 HydrophobicContact CE2-CG1 3.54Å; F154-I195 HydrophobicContact CG-CD1 4.21Å; F154-I195 HydrophobicContact CG-CG1 3.58Å; F154-I195 HydrophobicContact CZ-CB 4.44Å; F154-I195 HydrophobicContact CZ-CG1 3.76Å; F154-M198 HydrophobicContact CE1-CB 4.49Å; F154-M198 HydrophobicContact CZ-CB 4.29Å; F154-M198 HydrophobicContact CZ-CE 4.26Å; F154-M198 HydrophobicContact CZ-SD 3.78Å
155D98.4Very high97.9Very high30 Ų3057 Ų5716%0.1628%0.282CS..Iπ-helixtrans-112-26.8176.169.3-24.4000116H152 F153 S184 Y185 T188H152-D155 WeakPolarHBondContact CA-OD1 3.44Å; H152-D155 VanDerWaalsContact CB-OD1 3.24Å; H152-D155 WeakPolarHBondContact CB-OD1 3.44Å; H152-D155 IonicContact CE1-OD2 3.72Å; H152-D155 IonicContact CG-OD1 3.21Å; H152-D155 IonicContact CG-OD2 3.09Å; H152-D155 IonicContact ND1-OD1 3.65Å; H152-D155 PolarHBondContact ND1-OD1 2.9Å; H152-D155 VanDerWaalsContact ND1-OD1 3.13Å; H152-D155 IonicContact ND1-OD2 2.77Å; H152-D155 PolarHBondContact ND1-OD2 3.43Å; F153-D155 PolarHBondContact O-N 3.36Å; F153-D155 VanDerWaalsContact O-N 3.09Å; D155-S184 WeakPolarHBondContact OD2-CB 3.43Å; D155-S184 PolarHBondContact OD2-OG 3.13Å; D155-Y185 HydrophobicContact CB-CD1 4.03Å; D155-Y185 HydrophobicContact CB-CE1 4.3Å; D155-Y185 WeakPolarHBondContact OD1-CE1 3.25Å; D155-T188 HydrophobicContact CB-CG2 3.92Å; D155-T188 VanDerWaalsContact CB-OG1 3.3Å; D155-T188 WeakPolarHBondContact CB-OG1 3.31Å
156R98.4Very high97.9Very high155 Ų15557.9 Ų57.959%0.58529%0.285SS*.Iπ-helixtrans-138.3-19-175.8-55.4-175.6-164.8134.815117.3H152 F153H152-R156 HydrophobicContact CB-CB 4.21Å; H152-R156 HydrophobicContact CB-CG 4.3Å; H152-R156 PolarHBondContact CD2-NH1 3.1Å; H152-R156 PolarHBondContact CE1-NH1 3.27Å; H152-R156 PolarHBondContact CE1-NH2 3Å; H152-R156 PolarHBondContact ND1-NH1 3.16Å; H152-R156 PolarHBondContact ND1-NH2 3.14Å; H152-R156 PolarHBondContact NE2-NH1 2.97Å; H152-R156 VanDerWaalsContact NE2-NH1 3.11Å; H152-R156 CarbonylContact O-C 3.48Å; H152-R156 PolarHBondContact O-N 3.17Å; F153-R156 PolarHBondContact O-N 3.22Å
157N98.6Very high98Very high39 Ų3959.3 Ų59.321%0.20930%0.3CS..Iπ-helixtrans-126.119.5-171.9-67.5-86.9000112.3H152 F153 D159 R160 W164H152-N157 WeakPolarHBondContact O-CB 3.27Å; H152-N157 PolarHBondContact O-N 2.95Å; H152-N157 PolarHBondContact O-ND2 3.31Å; F153-N157 WeakPolarHBondContact CD2-O 3.39Å; F153-N157 WeakPolarHBondContact CE2-O 3.42Å; F153-N157 CarbonylContact O-C 3.57Å; F153-N157 PolarHBondContact O-N 3.35Å; F153-N157 VanDerWaalsContact O-N 3.16Å; N157-D159 PolarHBondContact O-N 3.48Å; N157-R160 HydrophobicContact CB-CG 4.31Å; N157-R160 VanDerWaalsContact O-CB 3.32Å; N157-R160 WeakPolarHBondContact O-CB 3.48Å; N157-R160 WeakPolarHBondContact O-CG 3.41Å; N157-R160 PolarHBondContact O-N 2.73Å; N157-R160 VanDerWaalsContact O-N 3.08Å; N157-R160 PolarHBondContact OD1-NE 2.91Å; N157-W164 HydrophobicContact CB-CE3 4.43Å; N157-W164 HydrophobicContact CB-CH2 3.64Å; N157-W164 HydrophobicContact CB-CZ3 3.57Å
158Y98.6Very high98.1Very high68 Ų6861 Ų6127%0.26731%0.309SS..G310 helixtrans-59.1-38.2-171.7-170.1-111.6000112.1F153 F154 R160 G161 R194F153-Y158 HydrophobicContact CD1-CD2 4.29Å; F153-Y158 AromaticContact CE1-CD2 3.72Å; F153-Y158 HydrophobicContact CE1-CD2 3.72Å; F153-Y158 AromaticContact CE1-CE2 3.93Å; F153-Y158 HydrophobicContact CE1-CE2 3.93Å; F153-Y158 HydrophobicContact CE2-CD2 4.26Å; F153-Y158 WeakPolarHBondContact CE2-O 3.35Å; F153-Y158 AromaticContact CZ-CD2 3.7Å; F153-Y158 HydrophobicContact CZ-CD2 3.7Å; F153-Y158 HydrophobicContact CZ-CE2 4.05Å; F153-Y158 WeakPolarHBondContact O-CA 3.38Å; F153-Y158 PolarHBondContact O-N 3.45Å; F154-Y158 AromaticContact CD1-CD2 3.88Å; F154-Y158 HydrophobicContact CD1-CD2 3.88Å; F154-Y158 AromaticContact CD1-CE2 3.85Å; F154-Y158 HydrophobicContact CD1-CE2 3.85Å; F154-Y158 HydrophobicContact CE1-CD2 4.4Å; F154-Y158 HydrophobicContact CE1-CE2 4.03Å; Y158-R160 PolarHBondContact O-N 2.7Å; Y158-G161 PolarHBondContact O-N 3.06Å; Y158-R194 HydrophobicContact CD1-CG 4.31Å; Y158-R194 HydrophobicContact CD2-CB 4.22Å; Y158-R194 HydrophobicContact CD2-CG 4.16Å; Y158-R194 HydrophobicContact CE1-CG 3.91Å; Y158-R194 HydrophobicContact CE2-CB 3.64Å; Y158-R194 HydrophobicContact CE2-CG 3.77Å; Y158-R194 HydrophobicContact CG-CG 4.41Å
159D98.4Very high98.3Very high148 Ų14859.7 Ų59.779%0.79130%0.295SS*.G310 helixtrans-69-6.9-178-37.7-58.6000113.2N157 G161N157-D159 PolarHBondContact O-N 3.48Å; D159-G161 PolarHBondContact O-N 3.17Å
160R98.4Very high98.4Very high148 Ų14856.5 Ų56.556%0.55828%0.276SS*.G310 helixtrans-76.8-8.4168.9-58.5-174179.3-97.9-2.5113.5N157 Y158 W164N157-R160 HydrophobicContact CB-CG 4.31Å; N157-R160 VanDerWaalsContact O-CB 3.32Å; N157-R160 WeakPolarHBondContact O-CB 3.48Å; N157-R160 WeakPolarHBondContact O-CG 3.41Å; N157-R160 PolarHBondContact O-N 2.73Å; N157-R160 VanDerWaalsContact O-N 3.08Å; N157-R160 PolarHBondContact OD1-NE 2.91Å; Y158-R160 PolarHBondContact O-N 2.7Å; R160-W164 HydrophobicContact CB-CB 3.84Å; R160-W164 HydrophobicContact CB-CD2 3.7Å; R160-W164 HydrophobicContact CB-CE3 3.81Å; R160-W164 HydrophobicContact CB-CG 3.71Å; R160-W164 VanDerWaalsContact CD-CD2 3.4Å; R160-W164 HydrophobicContact CG-CD2 4.23Å; R160-W164 HydrophobicContact CG-CE3 4.41Å; R160-W164 HydrophobicContact CG-CG 4.47Å; R160-W164 VanDerWaalsContact O-CB 3.24Å; R160-W164 WeakPolarHBondContact O-CB 3.11Å
161G98.4Very high98.3Very high30 Ų3057.8 Ų57.831%0.30928%0.278SS..Hα-helixtrans77165.1176.500000115.3F153 Y158 D159 D163 W164 Y165F153-G161 WeakPolarHBondContact CE2-O 3.45Å; Y158-G161 PolarHBondContact O-N 3.06Å; D159-G161 PolarHBondContact O-N 3.17Å; G161-D163 VanDerWaalsContact C-N 3.3Å; G161-D163 PolarHBondContact O-N 3.36Å; G161-W164 PolarHBondContact O-N 2.99Å; G161-Y165 PolarHBondContact O-N 2.81Å
162L98.3Very high98.2Very high57 Ų5757.4 Ų57.430%0.29828%0.275SS..Hα-helixtrans-67.2-26.6-175.7-73.9173.2000113.6L118 F153 Y165 R166 M198L118-L162 HydrophobicContact CD1-CD2 4.49Å; L118-L162 HydrophobicContact CD2-CD2 4.27Å; F153-L162 HydrophobicContact CE1-CD2 3.71Å; F153-L162 HydrophobicContact CZ-CD2 3.99Å; F153-L162 HydrophobicContact CZ-CG 4.5Å; L162-Y165 HydrophobicContact CD2-CD1 4.32Å; L162-Y165 PolarHBondContact O-N 2.73Å; L162-R166 VanDerWaalsContact O-CB 3.29Å; L162-R166 WeakPolarHBondContact O-CB 3.46Å; L162-R166 PolarHBondContact O-N 3.36Å; L162-M198 HydrophobicContact CD1-CG 4.41Å; L162-M198 HydrophobicContact CD2-CB 4.27Å; L162-M198 HydrophobicContact CD2-CG 3.76Å; L162-M198 HydrophobicContact CD2-SD 4.03Å
163D98.4Very high98Very high112 Ų11258.5 Ų58.560%0.59928%0.282SS*.Hα-helixtrans-72.1-35.7178.1-63-56000112.5G161 R166 G167G161-D163 VanDerWaalsContact C-N 3.3Å; G161-D163 PolarHBondContact O-N 3.36Å; D163-R166 IonicContact OD1-CZ 3.69Å; D163-R166 IonicContact OD1-NH1 2.67Å; D163-R166 PolarHBondContact OD1-NH1 2.89Å; D163-R166 IonicContact OD1-NH2 2.71Å; D163-R166 PolarHBondContact OD1-NH2 2.63Å; D163-G167 PolarHBondContact O-N 3.13Å
164W98.5Very high97.6Very high79 Ų7965.3 Ų65.330%0.29932%0.319SS..Hα-helixtrans-61.9-46.5169.1175.983.2000110.9F153 N157 R160 G161 G167 L168F153-W164 HydrophobicContact CB-CZ3 4.35Å; F153-W164 AromaticContact CD2-CE3 3.88Å; F153-W164 HydrophobicContact CD2-CE3 3.88Å; F153-W164 AromaticContact CD2-CZ3 3.84Å; F153-W164 HydrophobicContact CD2-CZ3 3.84Å; F153-W164 HydrophobicContact CE2-CE3 4.38Å; N157-W164 HydrophobicContact CB-CE3 4.43Å; N157-W164 HydrophobicContact CB-CH2 3.64Å; N157-W164 HydrophobicContact CB-CZ3 3.57Å; R160-W164 HydrophobicContact CB-CB 3.84Å; R160-W164 HydrophobicContact CB-CD2 3.7Å; R160-W164 HydrophobicContact CB-CE3 3.81Å; R160-W164 HydrophobicContact CB-CG 3.71Å; R160-W164 VanDerWaalsContact CD-CD2 3.4Å; R160-W164 HydrophobicContact CG-CD2 4.23Å; R160-W164 HydrophobicContact CG-CE3 4.41Å; R160-W164 HydrophobicContact CG-CG 4.47Å; R160-W164 VanDerWaalsContact O-CB 3.24Å; R160-W164 WeakPolarHBondContact O-CB 3.11Å; G161-W164 PolarHBondContact O-N 2.99Å; W164-G167 CarbonylContact O-C 3.22Å; W164-G167 WeakPolarHBondContact O-CA 3.24Å; W164-G167 PolarHBondContact O-N 3.29Å; W164-G167 VanDerWaalsContact O-N 3.09Å; W164-L168 HydrophobicContact CE3-CD1 4.34Å; W164-L168 HydrophobicContact CH2-CD1 3.68Å; W164-L168 HydrophobicContact CZ2-CD1 3.98Å; W164-L168 HydrophobicContact CZ2-CD2 4.24Å; W164-L168 HydrophobicContact CZ2-CG 4.46Å; W164-L168 HydrophobicContact CZ3-CD1 3.86Å; W164-L168 PolarHBondContact O-N 2.63Å; W164-L168 VanDerWaalsContact O-N 3.17Å
165Y98.6Very high97.3Very high0 Ų069.1 Ų69.10%035%0.345CS..Hα-helixtrans-63.5-46.1179.9-177.6-128.3000112.3L118 P119 P151 F153 F154 G161 L162 G167 L168 M169 E180 M198L118-Y165 HydrophobicContact CD2-CD1 3.72Å; L118-Y165 HydrophobicContact CD2-CE1 4.33Å; P119-Y165 HydrophobicContact CG-CE1 3.8Å; P119-Y165 WeakPolarHBondContact CG-OH 3.5Å; P151-Y165 HydrophobicContact CB-CD2 4.44Å; P151-Y165 HydrophobicContact CB-CE2 4.15Å; P151-Y165 HydrophobicContact CG-CE2 3.97Å; F153-Y165 HydrophobicContact CB-CD2 3.37Å; F153-Y165 HydrophobicContact CB-CE2 3.5Å; F153-Y165 VanDerWaalsContact CB-CE2 3.5Å; F153-Y165 HydrophobicContact CB-CG 4.02Å; F153-Y165 AromaticContact CD1-CD1 3.58Å; F153-Y165 HydrophobicContact CD1-CD1 3.58Å; F153-Y165 AromaticContact CD1-CD2 3.76Å; F153-Y165 HydrophobicContact CD1-CD2 3.76Å; F153-Y165 AromaticContact CD1-CE1 3.88Å; F153-Y165 HydrophobicContact CD1-CE1 3.88Å; F153-Y165 HydrophobicContact CD1-CE2 4.03Å; F153-Y165 AromaticContact CD1-CG 3.5Å; F153-Y165 HydrophobicContact CD1-CG 3.5Å; F153-Y165 HydrophobicContact CD2-CD2 4.22Å; F153-Y165 HydrophobicContact CD2-CG 4.13Å; F153-Y165 AromaticContact CE1-CD1 3.85Å; F153-Y165 HydrophobicContact CE1-CD1 3.85Å; F153-Y165 HydrophobicContact CE1-CE1 4.42Å; F153-Y165 AromaticContact CE1-CG 3.97Å; F153-Y165 HydrophobicContact CE1-CG 3.97Å; F153-Y165 HydrophobicContact CG-CD1 4.17Å; F153-Y165 AromaticContact CG-CD2 3.52Å; F153-Y165 HydrophobicContact CG-CD2 3.52Å; F153-Y165 AromaticContact CG-CE2 3.98Å; F153-Y165 HydrophobicContact CG-CE2 3.98Å; F153-Y165 AromaticContact CG-CG 3.6Å; F153-Y165 HydrophobicContact CG-CG 3.6Å; F153-Y165 HydrophobicContact CZ-CG 4.45Å; F154-Y165 AromaticContact CE2-CE1 3.75Å; F154-Y165 HydrophobicContact CE2-CE1 3.75Å; F154-Y165 AromaticContact CE2-CZ 3.71Å; F154-Y165 WeakPolarHBondContact CE2-OH 3.47Å; F154-Y165 AromaticContact CZ-CE1 3.87Å; F154-Y165 HydrophobicContact CZ-CE1 3.87Å; G161-Y165 PolarHBondContact O-N 2.81Å; L162-Y165 HydrophobicContact CD2-CD1 4.32Å; L162-Y165 PolarHBondContact O-N 2.73Å; Y165-G167 PolarHBondContact O-N 3.15Å; Y165-L168 WeakPolarHBondContact O-CB 3.45Å; Y165-L168 PolarHBondContact O-N 2.81Å; Y165-L168 VanDerWaalsContact O-N 3.09Å; Y165-M169 HydrophobicContact CD1-CE 4.46Å; Y165-M169 HydrophobicContact CD2-CE 3.7Å; Y165-M169 HydrophobicContact CE1-CE 4.13Å; Y165-M169 HydrophobicContact CE2-CE 3.34Å; Y165-M169 HydrophobicContact CG-CE 4.27Å; Y165-E180 WeakPolarHBondContact CE2-OE1 3.16Å; Y165-E180 WeakPolarHBondContact OH-CG 3.48Å; Y165-E180 PolarHBondContact OH-OE1 2.96Å; Y165-M198 HydrophobicContact CD1-SD 4.24Å; Y165-M198 HydrophobicContact CE1-SD 3.82Å
166R98.4Very high97.2Very high90 Ų9068.8 Ų68.834%0.3434%0.342SS..Hα-helixtrans-58.9-37.6170.6-161.7-172.1-52.7127.512.9111K116 L118 L162 D163 L168 M169K116-R166 WeakPolarHBondContact O-CD 3.22Å; K116-R166 WeakPolarHBondContact O-CG 3.36Å; L118-R166 HydrophobicContact CD2-CB 3.83Å; L118-R166 HydrophobicContact CD2-CG 4.27Å; L118-R166 HydrophobicContact CG-CB 4.35Å; L118-R166 HydrophobicContact CG-CG 4.27Å; L162-R166 VanDerWaalsContact O-CB 3.29Å; L162-R166 WeakPolarHBondContact O-CB 3.46Å; L162-R166 PolarHBondContact O-N 3.36Å; D163-R166 IonicContact OD1-CZ 3.69Å; D163-R166 IonicContact OD1-NH1 2.67Å; D163-R166 PolarHBondContact OD1-NH1 2.89Å; D163-R166 IonicContact OD1-NH2 2.71Å; D163-R166 PolarHBondContact OD1-NH2 2.63Å; R166-L168 PolarHBondContact O-N 3.22Å; R166-M169 WeakPolarHBondContact O-CB 3.18Å; R166-M169 PolarHBondContact O-N 3.28Å; R166-M169 VanDerWaalsContact O-N 3.09Å
167G98.1Very high97.1Very high38 Ų3862.6 Ų62.639%0.39232%0.321SS..Hα-helixtrans-58.9-27174.100000114.5K116 D163 W164 Y165K116-G167 PolarHBondContact NZ-O 3.24Å; D163-G167 PolarHBondContact O-N 3.13Å; W164-G167 CarbonylContact O-C 3.22Å; W164-G167 WeakPolarHBondContact O-CA 3.24Å; W164-G167 PolarHBondContact O-N 3.29Å; W164-G167 VanDerWaalsContact O-N 3.09Å; Y165-G167 PolarHBondContact O-N 3.15Å
168L98.1Very high97.1Very high56 Ų5660.8 Ų60.829%0.29331%0.311SS..Hα-helixtrans-76.6-26.8174.2-57.6-177.4000113.4L147 P151 W164 Y165 R166L147-L168 WeakPolarHBondContact CD1-O 3.44Å; L147-L168 HydrophobicContact CD2-CB 3.9Å; L147-L168 HydrophobicContact CD2-CD1 4.4Å; P151-L168 HydrophobicContact CB-CD1 3.63Å; W164-L168 HydrophobicContact CE3-CD1 4.34Å; W164-L168 HydrophobicContact CH2-CD1 3.68Å; W164-L168 HydrophobicContact CZ2-CD1 3.98Å; W164-L168 HydrophobicContact CZ2-CD2 4.24Å; W164-L168 HydrophobicContact CZ2-CG 4.46Å; W164-L168 HydrophobicContact CZ3-CD1 3.86Å; W164-L168 PolarHBondContact O-N 2.63Å; W164-L168 VanDerWaalsContact O-N 3.17Å; Y165-L168 WeakPolarHBondContact O-CB 3.45Å; Y165-L168 PolarHBondContact O-N 2.81Å; Y165-L168 VanDerWaalsContact O-N 3.09Å; R166-L168 PolarHBondContact O-N 3.22Å
169M98.3Very high97.1Very high2 Ų257.6 Ų57.61%0.0130%0.299CS..SBendtrans-69150.1-167-63.7-58.6154.100112.9K116 K117 P119 L147 Y165 R166 T178 E180K116-M169 WeakPolarHBondContact CD-O 3.4Å; K116-M169 WeakPolarHBondContact CE-O 3.31Å; K116-M169 WeakPolarHBondContact CG-O 3.36Å; K117-M169 VanDerWaalsContact O-CB 3.31Å; K117-M169 WeakPolarHBondContact O-CB 3.31Å; K117-M169 VanDerWaalsContact O-CG 3.31Å; K117-M169 WeakPolarHBondContact O-CG 3.39Å; P119-M169 HydrophobicContact CG-CE 4.09Å; P119-M169 HydrophobicContact CG-SD 4.49Å; L147-M169 HydrophobicContact CB-SD 4.21Å; L147-M169 HydrophobicContact CD2-CE 4.03Å; L147-M169 HydrophobicContact CD2-SD 4.22Å; Y165-M169 HydrophobicContact CD1-CE 4.46Å; Y165-M169 HydrophobicContact CD2-CE 3.7Å; Y165-M169 HydrophobicContact CE1-CE 4.13Å; Y165-M169 HydrophobicContact CE2-CE 3.34Å; Y165-M169 HydrophobicContact CG-CE 4.27Å; R166-M169 WeakPolarHBondContact O-CB 3.18Å; R166-M169 PolarHBondContact O-N 3.28Å; R166-M169 VanDerWaalsContact O-N 3.09Å; M169-T178 HydrophobicContact CB-CG2 4.07Å; M169-T178 HydrophobicContact CG-CG2 4.14Å; M169-T178 HydrophobicContact SD-CG2 4.07Å; M169-E180 HydrophobicContact CE-CB 4.3Å; M169-E180 HydrophobicContact CE-CG 4.46Å
170P96.7Very high97.1Very high23 Ų2350.6 Ų50.615%0.14926%0.261CS..PPolyproline II helixtrans-62.8153.7171.628.4-35.3000110.8R145R145-P170 HydrophobicContact CB-CB 4.39Å; R145-P170 HydrophobicContact CB-CG 3.94Å
171R96.5Very high97.1Very high96 Ų9643.5 Ų43.536%0.36224%0.235SC..EExtended strand (participates in β ladder)trans-70140.6166.3-73.1-179.2171.8-83.73.6110.1A110 Q111 G114 N115 K116 R145A110-R171 WeakPolarHBondContact O-CB 3.39Å; Q111-R171 WeakPolarHBondContact O-CD 3.37Å; G114-R171 WeakPolarHBondContact O-CB 3.37Å; G114-R171 WeakPolarHBondContact O-CD 3.41Å; G114-R171 WeakPolarHBondContact O-CG 3.34Å; G114-R171 PolarHBondContact O-NH1 3.41Å; N115-R171 WeakPolarHBondContact O-CA 3.47Å; N115-R171 PolarHBondContact OD1-NH1 3.2Å; K116-R171 HydrophobicContact CG-CG 3.96Å; R145-R171 PolarHBondContact NE-O 3.39Å
172T96.4Very high97.1Very high1 Ų142.1 Ų42.11%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-138.7145.1-170.858.80000111.4G114 N115 R145 T178G114-T172 CarbonylContact C-O 3.58Å; G114-T172 WeakPolarHBondContact CA-O 3.42Å; N115-T172 PolarHBondContact N-O 2.88Å; N115-T172 PolarHBondContact O-N 3.14Å; N115-T172 PolarHBondContact O-OG1 3.15Å; R145-T172 HydrophobicContact CB-CG2 3.51Å; R145-T172 HydrophobicContact CG-CG2 3.82Å; T172-T178 WeakPolarHBondContact CG2-OG1 3.48Å
173L95.4Very high97.2Very high55 Ų5539.9 Ų39.929%0.28821%0.209SC..  trans-81.5174.4167.2-53.8175.5000110.3V109 A110 K117 S175 Q176V109-L173 HydrophobicContact CG1-CD1 4.22Å; A110-L173 HydrophobicContact CB-CD2 4.5Å; A110-L173 HydrophobicContact CB-CG 4.08Å; K117-L173 PolarHBondContact NZ-O 2.92Å; L173-S175 PolarHBondContact O-N 3.18Å; L173-Q176 HydrophobicContact CB-CG 4.08Å; L173-Q176 PolarHBondContact O-N 2.99Å
174D90.9Very high97.2Very high145 Ų14535.9 Ų35.978%0.77519%0.189SC*.THydrogen-bonded Turntrans-72.1-24.8-176-61.3-50.1000114.8K117 Q176K117-D174 IonicContact NZ-OD1 2.67Å; K117-D174 PolarHBondContact NZ-OD1 2.91Å; D174-Q176 VanDerWaalsContact C-N 3.28Å; D174-Q176 PolarHBondContact O-N 2.91Å
175S92.1Very high97.2Very high79 Ų7932.1 Ų32.155%0.55218%0.175SC*.THydrogen-bonded Turntrans-74.7-12.9170.670.60000114.4D143 L173D143-S175 PolarHBondContact OD1-OG 2.96Å; L173-S175 PolarHBondContact O-N 3.18Å
176Q96.1Very high97.2Very high23 Ų2332.3 Ų32.311%0.10718%0.176CC..PPolyproline II helixtrans-99.2129.5-163.7-57.3-169.8-6000113.4P142 D143 R145 L173 D174P142-Q176 PolarHBondContact O-NE2 3.18Å; D143-Q176 CarbonylContact O-C 3.46Å; D143-Q176 VanDerWaalsContact O-CA 3.31Å; D143-Q176 WeakPolarHBondContact O-CA 3.46Å; R145-Q176 HydrophobicContact CG-CB 4.13Å; R145-Q176 HydrophobicContact CG-CG 4.5Å; L173-Q176 HydrophobicContact CB-CG 4.08Å; L173-Q176 PolarHBondContact O-N 2.99Å; D174-Q176 VanDerWaalsContact C-N 3.28Å; D174-Q176 PolarHBondContact O-N 2.91Å
177I96.9Very high97.2Very high26 Ų2630.4 Ų30.413%0.13318%0.175CC..EExtended strand (participates in β ladder)trans-74128173.3-60.8-175000109.8N120 D143 R145 L179 L296 L298N120-I177 HydrophobicContact CB-CG2 4.35Å; D143-I177 PolarHBondContact O-N 3.12Å; R145-I177 PolarHBondContact N-O 3.24Å; I177-L179 HydrophobicContact CG2-CD2 3.73Å; I177-L179 HydrophobicContact CG2-CG 4.1Å; I177-L296 HydrophobicContact CD1-CB 3.87Å; I177-L298 HydrophobicContact CD1-CD1 4.23Å; I177-L298 HydrophobicContact CD1-CD2 3.64Å; I177-L298 HydrophobicContact CD1-CG 3.84Å; I177-L298 HydrophobicContact CG1-CD2 4.16Å
178T98.2Very high97.2Very high0 Ų029.7 Ų29.70%016%0.162CC..EExtended strand (participates in β ladder)trans-89.9127.4170.5-57.50000110P119 N120 R145 M169 T172P119-T178 CarbonylContact C-O 3.36Å; P119-T178 VanDerWaalsContact CA-O 3.26Å; P119-T178 WeakPolarHBondContact CA-O 2.8Å; P119-T178 HydrophobicContact CB-CG2 4.23Å; P119-T178 WeakPolarHBondContact CB-O 3.49Å; N120-T178 PolarHBondContact N-O 3.44Å; N120-T178 PolarHBondContact OD1-N 2.87Å; N120-T178 VanDerWaalsContact OD1-N 3.1Å; R145-T178 WeakPolarHBondContact O-CA 3.47Å; M169-T178 HydrophobicContact CB-CG2 4.07Å; M169-T178 HydrophobicContact CG-CG2 4.14Å; M169-T178 HydrophobicContact SD-CG2 4.07Å; T172-T178 WeakPolarHBondContact CG2-OG1 3.48Å
179L97.8Very high97.3Very high1 Ų136.2 Ų36.21%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-123.5151.3-179.4-63.8-177.2000113.5A121 I138 V144 R145 A146 L147 I177A121-L179 HydrophobicContact CB-CD2 3.59Å; A121-L179 WeakPolarHBondContact O-CD2 3.46Å; I138-L179 HydrophobicContact CG1-CD1 4.27Å; I138-L179 HydrophobicContact CG2-CD1 3.62Å; V144-L179 HydrophobicContact CG1-CD1 3.53Å; V144-L179 HydrophobicContact CG1-CG 4.16Å; R145-L179 PolarHBondContact O-N 2.87Å; A146-L179 CarbonylContact C-O 3.54Å; A146-L179 VanDerWaalsContact CA-O 3.27Å; A146-L179 WeakPolarHBondContact CA-O 3.49Å; A146-L179 HydrophobicContact CB-CB 3.82Å; L147-L179 PolarHBondContact N-O 3.42Å; I177-L179 HydrophobicContact CG2-CD2 3.73Å; I177-L179 HydrophobicContact CG2-CG 4.1Å
180E98.4Very high97.3Very high1 Ų140.2 Ų40.21%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-136.5-179.5156.873.9118.9128.100111.5P119 L122 I123 L147 P151 Y165 M169 T182 Y185P119-E180 HydrophobicContact CG-CG 4.43Å; L122-E180 HydrophobicContact CD2-CG 3.39Å; I123-E180 PolarHBondContact N-O 3.11Å; L147-E180 HydrophobicContact CB-CB 4.22Å; P151-E180 WeakPolarHBondContact CD-OE2 3.48Å; P151-E180 HydrophobicContact CG-CB 4.22Å; P151-E180 HydrophobicContact CG-CG 4.18Å; P151-E180 WeakPolarHBondContact CG-OE1 3.22Å; P151-E180 VanDerWaalsContact CG-OE2 3.31Å; P151-E180 WeakPolarHBondContact CG-OE2 3.26Å; Y165-E180 WeakPolarHBondContact CE2-OE1 3.16Å; Y165-E180 WeakPolarHBondContact OH-CG 3.48Å; Y165-E180 PolarHBondContact OH-OE1 2.96Å; M169-E180 HydrophobicContact CE-CB 4.3Å; M169-E180 HydrophobicContact CE-CG 4.46Å; E180-T182 WeakPolarHBondContact OE2-CB 3.42Å; E180-T182 PolarHBondContact OE2-N 3.03Å; E180-T182 VanDerWaalsContact OE2-N 3.13Å; E180-T182 PolarHBondContact OE2-OG1 3.46Å; E180-Y185 VanDerWaalsContact OE1-CE2 3.23Å; E180-Y185 WeakPolarHBondContact OE1-CE2 3.15Å; E180-Y185 PolarHBondContact OE1-OH 3.37Å
181K98.8Very high97.4Very high0 Ų039.1 Ų39.10%020%0.195CC..EExtended strand (participates in β ladder)trans-151112.4-178.3176-148.757.4490109.2I123 T131 L135 E150 P183I123-K181 HydrophobicContact CB-CB 3.87Å; I123-K181 HydrophobicContact CB-CG 3.79Å; I123-K181 HydrophobicContact CD1-CB 4.4Å; I123-K181 HydrophobicContact CD1-CG 4.48Å; I123-K181 HydrophobicContact CG1-CB 4.49Å; I123-K181 HydrophobicContact CG2-CG 3.92Å; I123-K181 WeakPolarHBondContact O-CA 3.36Å; T131-K181 VanDerWaalsContact C-CD 3.47Å; T131-K181 WeakPolarHBondContact O-CD 3.28Å; L135-K181 HydrophobicContact CB-CD 4.07Å; L135-K181 HydrophobicContact CD1-CB 4.09Å; L135-K181 HydrophobicContact CD2-CB 3.95Å; L135-K181 HydrophobicContact CD2-CD 4.02Å; L135-K181 HydrophobicContact CG-CB 4.43Å; E150-K181 VanDerWaalsContact CG-NZ 3.32Å; E150-K181 IonicContact OE1-NZ 2.84Å; E150-K181 PolarHBondContact OE1-NZ 3.24Å; E150-K181 IonicContact OE2-NZ 2.86Å; E150-K181 PolarHBondContact OE2-NZ 2.97Å; E150-K181 VanDerWaalsContact OE2-NZ 3.09Å; K181-P183 HydrophobicContact CG-CG 4.31Å
182T98.9Very high97.5Very high0 Ų034.6 Ų34.60%018%0.178CC..  trans-133.596.4173-620000109.2I123 P151 H152 E180 S184 Y185I123-T182 PolarHBondContact O-N 2.94Å; I123-T182 VanDerWaalsContact O-N 3.17Å; P151-T182 VanDerWaalsContact CD-OG1 3.27Å; P151-T182 WeakPolarHBondContact CD-OG1 3.44Å; H152-T182 VanDerWaalsContact ND1-CG2 3.32Å; H152-T182 WeakPolarHBondContact ND1-CG2 3.39Å; E180-T182 WeakPolarHBondContact OE2-CB 3.42Å; E180-T182 PolarHBondContact OE2-N 3.03Å; E180-T182 VanDerWaalsContact OE2-N 3.13Å; E180-T182 PolarHBondContact OE2-OG1 3.46Å; T182-S184 WeakPolarHBondContact CG2-OG 3.48Å; T182-S184 PolarHBondContact O-N 3.34Å; T182-Y185 HydrophobicContact CG2-CD1 3.62Å; T182-Y185 HydrophobicContact CG2-CD2 4.48Å; T182-Y185 HydrophobicContact CG2-CE1 3.38Å; T182-Y185 HydrophobicContact CG2-CE2 4.29Å; T182-Y185 HydrophobicContact CG2-CG 4.17Å; T182-Y185 PolarHBondContact O-N 2.8Å; T182-Y185 VanDerWaalsContact O-N 3.14Å; T182-Y185 PolarHBondContact OG1-OH 3.39Å
183P98.8Very high97.6Very high11 Ų1139 Ų397%0.07120%0.198CC..THydrogen-bonded Turntrans-72.41-167.3-20.234.3000116.1V124 K127 T131 E150 K181V124-P183 CarbonylContact O-C 3.59Å; V124-P183 WeakPolarHBondContact O-CA 3.33Å; K127-P183 HydrophobicContact CB-CB 4.49Å; K127-P183 PolarHBondContact N-O 2.81Å; T131-P183 HydrophobicContact CG2-CB 4.2Å; T131-P183 HydrophobicContact CG2-CG 4.1Å; T131-P183 WeakPolarHBondContact OG1-CG 3.22Å; E150-P183 WeakPolarHBondContact OE2-CD 3.46Å; K181-P183 HydrophobicContact CG-CG 4.31Å
184S98.8Very high97.8Very high27 Ų2738.9 Ų38.919%0.18919%0.194CC..THydrogen-bonded Turntrans-86.1-25.8171.837.40000112.6H152 D155 T182 F186 V187 T188H152-S184 PolarHBondContact CE1-OG 3.05Å; H152-S184 PolarHBondContact ND1-OG 3.39Å; D155-S184 WeakPolarHBondContact OD2-CB 3.43Å; D155-S184 PolarHBondContact OD2-OG 3.13Å; T182-S184 WeakPolarHBondContact CG2-OG 3.48Å; T182-S184 PolarHBondContact O-N 3.34Å; S184-F186 PolarHBondContact O-N 3.47Å; S184-F186 VanDerWaalsContact O-N 3.12Å; S184-V187 WeakPolarHBondContact O-CG2 3.35Å; S184-V187 PolarHBondContact O-N 3.47Å; S184-T188 PolarHBondContact O-N 2.88Å; S184-T188 PolarHBondContact O-OG1 2.81Å
185Y98.9Very high98.1Very high0 Ų032 Ų320%016%0.157CC..G310 helixtrans-52.2-40.8-178.3-66.7-15.6000111.6V124 F153 F154 D155 E180 T182 V187 T188 I195 W264V124-Y185 HydrophobicContact CG1-CD2 4.24Å; F153-Y185 PolarHBondContact N-OH 2.72Å; F154-Y185 HydrophobicContact CB-CD1 4Å; F154-Y185 HydrophobicContact CB-CE1 3.73Å; F154-Y185 HydrophobicContact CB-CE2 4.4Å; F154-Y185 HydrophobicContact CB-CG 4.45Å; F154-Y185 HydrophobicContact CD2-CD2 4.28Å; F154-Y185 HydrophobicContact CD2-CE1 4.35Å; F154-Y185 AromaticContact CD2-CE2 3.64Å; F154-Y185 HydrophobicContact CD2-CE2 3.64Å; F154-Y185 AromaticContact CD2-CZ 3.68Å; F154-Y185 HydrophobicContact CG-CE2 4.5Å; D155-Y185 HydrophobicContact CB-CD1 4.03Å; D155-Y185 HydrophobicContact CB-CE1 4.3Å; D155-Y185 WeakPolarHBondContact OD1-CE1 3.25Å; E180-Y185 VanDerWaalsContact OE1-CE2 3.23Å; E180-Y185 WeakPolarHBondContact OE1-CE2 3.15Å; E180-Y185 PolarHBondContact OE1-OH 3.37Å; T182-Y185 HydrophobicContact CG2-CD1 3.62Å; T182-Y185 HydrophobicContact CG2-CD2 4.48Å; T182-Y185 HydrophobicContact CG2-CE1 3.38Å; T182-Y185 HydrophobicContact CG2-CE2 4.29Å; T182-Y185 HydrophobicContact CG2-CG 4.17Å; T182-Y185 PolarHBondContact O-N 2.8Å; T182-Y185 VanDerWaalsContact O-N 3.14Å; T182-Y185 PolarHBondContact OG1-OH 3.39Å; Y185-V187 PolarHBondContact O-N 2.91Å; Y185-T188 PolarHBondContact O-N 2.91Å; Y185-I195 HydrophobicContact CD2-CD1 4.36Å; Y185-W264 WeakPolarHBondContact O-CZ2 3.39Å
186F98.9Very high98.4Very high4 Ų428.7 Ų28.72%0.01813%0.134CC..G310 helixtrans-52.5-29.9-179.7-172-106.7000114.3V124 V126 S184 V206 Y257 H260 W264V124-F186 HydrophobicContact CG2-CD2 4.33Å; V124-F186 WeakPolarHBondContact O-CB 3.31Å; V124-F186 PolarHBondContact O-N 2.85Å; V126-F186 HydrophobicContact CG1-CD1 3.66Å; V126-F186 HydrophobicContact CG1-CE1 3.83Å; V126-F186 HydrophobicContact CG1-CG 4.23Å; S184-F186 PolarHBondContact O-N 3.47Å; S184-F186 VanDerWaalsContact O-N 3.12Å; F186-V206 HydrophobicContact CD2-CG1 3.92Å; F186-V206 HydrophobicContact CD2-CG2 4.07Å; F186-V206 HydrophobicContact CE2-CG1 3.79Å; F186-V206 HydrophobicContact CE2-CG2 4.04Å; F186-V206 HydrophobicContact CG-CG1 4.44Å; F186-V206 HydrophobicContact CZ-CG1 4.19Å; F186-Y257 HydrophobicContact CE1-CD1 4.18Å; F186-H260 HydrophobicContact CD1-CB 3.94Å; F186-H260 HydrophobicContact CE1-CB 3.51Å; F186-H260 HydrophobicContact CZ-CB 3.84Å; F186-W264 AromaticContact CD2-CD1 3.85Å; F186-W264 AromaticContact CD2-NE1 3.44Å; F186-W264 AromaticContact CE2-CD1 3.88Å; F186-W264 AromaticContact CE2-NE1 3.96Å; F186-W264 PolarHBondContact O-NE1 3.11Å
187V98.7Very high98.5Very high51 Ų5131 Ų3131%0.30915%0.152SC..G310 helixtrans-112.310.7-179.8-51.60000113.4S184 Y185 I254S184-V187 WeakPolarHBondContact O-CG2 3.35Å; S184-V187 PolarHBondContact O-N 3.47Å; Y185-V187 PolarHBondContact O-N 2.91Å; V187-I254 HydrophobicContact CG1-CG1 4.15Å; V187-I254 HydrophobicContact CG1-CG2 4.34Å; V187-I254 HydrophobicContact CG2-CG1 4.37Å
188T98.8Very high98.6Very high22 Ų2231 Ų3114%0.13515%0.152CC..  trans-91.5117.3171.9-65.80000108.5D155 S184 Y185 E190 A191D155-T188 HydrophobicContact CB-CG2 3.92Å; D155-T188 VanDerWaalsContact CB-OG1 3.3Å; D155-T188 WeakPolarHBondContact CB-OG1 3.31Å; S184-T188 PolarHBondContact O-N 2.88Å; S184-T188 PolarHBondContact O-OG1 2.81Å; Y185-T188 PolarHBondContact O-N 2.91Å; T188-E190 VanDerWaalsContact C-N 3.26Å; T188-E190 WeakPolarHBondContact CG2-OE2 3.46Å; T188-E190 PolarHBondContact O-N 3.23Å; T188-A191 HydrophobicContact CG2-CB 3.91Å; T188-A191 PolarHBondContact O-N 3.17Å
189R98.4Very high98.5Very high193 Ų19333.3 Ų33.373%0.72817%0.168SC*.THydrogen-bonded Turntrans-57.9-38-173.7179.6-173.6-174.6-1691.9112.7P192 N263R189-P192 WeakPolarHBondContact O-CD 3.47Å; R189-N263 PolarHBondContact O-ND2 3.35Å
190E98.7Very high98.3Very high87 Ų8739.5 Ų39.541%0.40720%0.197SC..THydrogen-bonded Turntrans-83.3-17.3-174.9-55.367.8-146.200112.8T188 H193 R194T188-E190 VanDerWaalsContact C-N 3.26Å; T188-E190 WeakPolarHBondContact CG2-OE2 3.46Å; T188-E190 PolarHBondContact O-N 3.23Å; E190-H193 PolarHBondContact O-N 3.03Å; E190-R194 HydrophobicContact CB-CG 4.46Å; E190-R194 WeakPolarHBondContact O-CB 3.18Å; E190-R194 VanDerWaalsContact O-CG 3.23Å; E190-R194 WeakPolarHBondContact O-CG 3.4Å; E190-R194 PolarHBondContact O-N 2.64Å
191A98.8Very high98.2Very high0 Ų045.2 Ų45.20%023%0.228CC..Hα-helixtrans-63.3-42.1-171.200000114F154 T188 H193 R194 I195 W264F154-A191 HydrophobicContact CB-CB 4.21Å; T188-A191 HydrophobicContact CG2-CB 3.91Å; T188-A191 PolarHBondContact O-N 3.17Å; A191-H193 PolarHBondContact O-N 3.29Å; A191-R194 PolarHBondContact O-N 2.79Å; A191-I195 HydrophobicContact CB-CD1 4.32Å; A191-I195 WeakPolarHBondContact O-CB 3.32Å; A191-I195 WeakPolarHBondContact O-CD1 3.31Å; A191-I195 WeakPolarHBondContact O-CG1 3.37Å; A191-I195 PolarHBondContact O-N 2.85Å; A191-W264 HydrophobicContact CB-CH2 4.42Å; A191-W264 HydrophobicContact CB-CZ2 4.47Å
192P98.8Very high98.2Very high0 Ų045.3 Ų45.30%023%0.228CC..Hα-helixtrans-60.3-47.1179-24.635.6000112.6R189 I195 S196 W264 Y267 F268R189-P192 WeakPolarHBondContact O-CD 3.47Å; P192-I195 PolarHBondContact O-N 2.99Å; P192-S196 WeakPolarHBondContact O-CB 3.04Å; P192-S196 PolarHBondContact O-N 3.32Å; P192-W264 HydrophobicContact CB-CD2 4.11Å; P192-W264 HydrophobicContact CB-CE3 3.85Å; P192-W264 HydrophobicContact CB-CZ3 4.21Å; P192-W264 HydrophobicContact CG-CD2 3.59Å; P192-W264 HydrophobicContact CG-CE3 3.79Å; P192-W264 HydrophobicContact CG-CG 3.97Å; P192-W264 HydrophobicContact CG-CH2 4.31Å; P192-W264 HydrophobicContact CG-CZ2 4.1Å; P192-W264 HydrophobicContact CG-CZ3 4.16Å; P192-Y267 HydrophobicContact CB-CD2 3.59Å; P192-Y267 HydrophobicContact CB-CE2 4.34Å; P192-Y267 HydrophobicContact CB-CG 4.1Å; P192-F268 HydrophobicContact CB-CE2 4.35Å; P192-F268 WeakPolarHBondContact O-CE2 3.38Å
193H98.6Very high98.2Very high94 Ų9448.6 Ų48.644%0.43524%0.242SC..Hα-helixtrans-57.7-54.4174.817558.9000111.1E190 A191 I195 S196 S197 Y267E190-H193 PolarHBondContact O-N 3.03Å; A191-H193 PolarHBondContact O-N 3.29Å; H193-I195 VanDerWaalsContact C-N 3.28Å; H193-I195 PolarHBondContact O-N 3.14Å; H193-S196 PolarHBondContact O-N 2.94Å; H193-S196 VanDerWaalsContact O-N 3.17Å; H193-S197 PolarHBondContact CE1-OG 3.28Å; H193-S197 PolarHBondContact O-N 2.78Å; H193-S197 PolarHBondContact O-OG 3.24Å; H193-Y267 HydrophobicContact CB-CD1 4.1Å; H193-Y267 HydrophobicContact CB-CE1 3.64Å; H193-Y267 HydrophobicContact CB-CE2 4.36Å; H193-Y267 AromaticContact ND1-CE1 3.66Å
194R98.7Very high98.2Very high53 Ų5348.1 Ų48.120%0.224%0.239CC..Hα-helixtrans-60.1-33.8-177.2-69.2171.6166.5165.4-1.9113.7F154 Y158 E190 A191 M198F154-R194 HydrophobicContact CD1-CB 3.66Å; F154-R194 HydrophobicContact CE1-CB 4.25Å; F154-R194 WeakPolarHBondContact CE1-O 3.26Å; F154-R194 PolarHBondContact O-NH1 2.91Å; Y158-R194 HydrophobicContact CD1-CG 4.31Å; Y158-R194 HydrophobicContact CD2-CB 4.22Å; Y158-R194 HydrophobicContact CD2-CG 4.16Å; Y158-R194 HydrophobicContact CE1-CG 3.91Å; Y158-R194 HydrophobicContact CE2-CB 3.64Å; Y158-R194 HydrophobicContact CE2-CG 3.77Å; Y158-R194 HydrophobicContact CG-CG 4.41Å; E190-R194 HydrophobicContact CB-CG 4.46Å; E190-R194 WeakPolarHBondContact O-CB 3.18Å; E190-R194 VanDerWaalsContact O-CG 3.23Å; E190-R194 WeakPolarHBondContact O-CG 3.4Å; E190-R194 PolarHBondContact O-N 2.64Å; A191-R194 PolarHBondContact O-N 2.79Å; R194-M198 PolarHBondContact O-N 3.16Å
195I98.8Very high98.2Very high0 Ų046.9 Ų46.90%023%0.23CC..Hα-helixtrans-76.5-43.1176.8-65160.6000110.6L122 V124 F154 Y185 A191 P192 H193 S197 M198 S199 T202 L204 W264 F268L122-I195 HydrophobicContact CD1-CB 4.38Å; L122-I195 HydrophobicContact CD1-CD1 3.73Å; L122-I195 HydrophobicContact CD1-CG1 3.86Å; L122-I195 HydrophobicContact CD1-CG2 3.51Å; V124-I195 HydrophobicContact CG1-CD1 4.43Å; F154-I195 HydrophobicContact CB-CG1 4.29Å; F154-I195 HydrophobicContact CD1-CG1 3.84Å; F154-I195 HydrophobicContact CD2-CD1 3.95Å; F154-I195 HydrophobicContact CD2-CG1 3.44Å; F154-I195 VanDerWaalsContact CD2-CG1 3.44Å; F154-I195 HydrophobicContact CE1-CG1 3.9Å; F154-I195 HydrophobicContact CE2-CD1 4.38Å; F154-I195 HydrophobicContact CE2-CG1 3.54Å; F154-I195 HydrophobicContact CG-CD1 4.21Å; F154-I195 HydrophobicContact CG-CG1 3.58Å; F154-I195 HydrophobicContact CZ-CB 4.44Å; F154-I195 HydrophobicContact CZ-CG1 3.76Å; Y185-I195 HydrophobicContact CD2-CD1 4.36Å; A191-I195 HydrophobicContact CB-CD1 4.32Å; A191-I195 WeakPolarHBondContact O-CB 3.32Å; A191-I195 WeakPolarHBondContact O-CD1 3.31Å; A191-I195 WeakPolarHBondContact O-CG1 3.37Å; A191-I195 PolarHBondContact O-N 2.85Å; P192-I195 PolarHBondContact O-N 2.99Å; H193-I195 VanDerWaalsContact C-N 3.28Å; H193-I195 PolarHBondContact O-N 3.14Å; I195-S197 VanDerWaalsContact C-N 3.28Å; I195-S197 PolarHBondContact O-N 2.88Å; I195-M198 WeakPolarHBondContact O-CA 3.28Å; I195-M198 WeakPolarHBondContact O-CB 3.28Å; I195-M198 PolarHBondContact O-N 3.24Å; I195-S199 PolarHBondContact O-N 3.18Å; I195-S199 VanDerWaalsContact O-N 3.11Å; I195-T202 HydrophobicContact CG2-CG2 3.84Å; I195-L204 HydrophobicContact CG2-CD2 4.34Å; I195-W264 HydrophobicContact CD1-CH2 3.53Å; I195-W264 HydrophobicContact CD1-CZ3 3.81Å; I195-F268 HydrophobicContact CB-CE2 4.44Å; I195-F268 HydrophobicContact CB-CZ 4.03Å; I195-F268 HydrophobicContact CG2-CE1 4.45Å; I195-F268 HydrophobicContact CG2-CE2 4.47Å; I195-F268 HydrophobicContact CG2-CZ 3.68Å
196S98.4Very high98.2Very high9 Ų946.9 Ų46.96%0.06323%0.23CC..Hα-helixtrans-62.3-39.2177.9-1620000110.7P192 H193 M198 S199 H200 Y267P192-S196 WeakPolarHBondContact O-CB 3.04Å; P192-S196 PolarHBondContact O-N 3.32Å; H193-S196 PolarHBondContact O-N 2.94Å; H193-S196 VanDerWaalsContact O-N 3.17Å; S196-M198 VanDerWaalsContact C-N 3.25Å; S196-M198 PolarHBondContact O-N 2.61Å; S196-S199 CarbonylContact O-C 3.55Å; S196-S199 VanDerWaalsContact O-C 3.22Å; S196-S199 PolarHBondContact O-N 2.86Å; S196-H200 PolarHBondContact O-N 2.73Å; S196-H200 PolarHBondContact O-ND1 2.8Å; S196-H200 PolarHBondContact OG-ND1 3.06Å; S196-Y267 PolarHBondContact OG-O 3.26Å
197S98Very high98.2Very high71 Ų7146.7 Ų46.750%0.49723%0.229SC..THydrogen-bonded Turntrans-67.8-14.3171.3-610000115.1H193 I195H193-S197 PolarHBondContact CE1-OG 3.28Å; H193-S197 PolarHBondContact O-N 2.78Å; H193-S197 PolarHBondContact O-OG 3.24Å; I195-S197 VanDerWaalsContact C-N 3.28Å; I195-S197 PolarHBondContact O-N 2.88Å
198M98Very high98.2Very high27 Ų2744.2 Ų44.213%0.13322%0.215CC..THydrogen-bonded Turntrans-82.3-45.4168.4-179.3-169.570.700110.9L118 P119 F154 L162 Y165 R194 I195 S196L118-M198 HydrophobicContact CB-SD 4.09Å; L118-M198 HydrophobicContact CD1-CG 3.93Å; L118-M198 HydrophobicContact CD1-SD 4.12Å; L118-M198 HydrophobicContact CD2-SD 4Å; L118-M198 HydrophobicContact CG-SD 4.29Å; P119-M198 HydrophobicContact CG-CE 4.39Å; F154-M198 HydrophobicContact CE1-CB 4.49Å; F154-M198 HydrophobicContact CZ-CB 4.29Å; F154-M198 HydrophobicContact CZ-CE 4.26Å; F154-M198 HydrophobicContact CZ-SD 3.78Å; L162-M198 HydrophobicContact CD1-CG 4.41Å; L162-M198 HydrophobicContact CD2-CB 4.27Å; L162-M198 HydrophobicContact CD2-CG 3.76Å; L162-M198 HydrophobicContact CD2-SD 4.03Å; Y165-M198 HydrophobicContact CD1-SD 4.24Å; Y165-M198 HydrophobicContact CE1-SD 3.82Å; R194-M198 PolarHBondContact O-N 3.16Å; I195-M198 WeakPolarHBondContact O-CA 3.28Å; I195-M198 WeakPolarHBondContact O-CB 3.28Å; I195-M198 PolarHBondContact O-N 3.24Å; S196-M198 VanDerWaalsContact C-N 3.25Å; S196-M198 PolarHBondContact O-N 2.61Å
199S96.1Very high98.2Very high48 Ų4845.3 Ų45.334%0.33622%0.216SC..  trans-165.7124.7171.41740000110.4I195 S196 D201 T202I195-S199 PolarHBondContact O-N 3.18Å; I195-S199 VanDerWaalsContact O-N 3.11Å; S196-S199 CarbonylContact O-C 3.55Å; S196-S199 VanDerWaalsContact O-C 3.22Å; S196-S199 PolarHBondContact O-N 2.86Å; S199-D201 PolarHBondContact O-N 3.25Å; S199-D201 PolarHBondContact OG-N 3.07Å; S199-T202 WeakPolarHBondContact O-CB 3.47Å; S199-T202 PolarHBondContact O-N 2.95Å; S199-T202 PolarHBondContact O-OG1 3.22Å
200H94.6Very high98.2Very high131 Ų13137.2 Ų37.261%0.60619%0.187SC*.THydrogen-bonded Turntrans-64.1-16.3175.8-62.7-53.3000113.8S196 Q272S196-H200 PolarHBondContact O-N 2.73Å; S196-H200 PolarHBondContact O-ND1 2.8Å; S196-H200 PolarHBondContact OG-ND1 3.06Å; H200-Q272 PolarHBondContact O-NE2 3.41Å
201D96.1Very high98.2Very high122 Ų12233 Ų3365%0.65217%0.168SC*.THydrogen-bonded Turntrans-92.40.2178.6-64-56.8000113.7S199 K203S199-D201 PolarHBondContact O-N 3.25Å; S199-D201 PolarHBondContact OG-N 3.07Å; D201-K203 PolarHBondContact O-N 3.28Å
202T98.4Very high98.2Very high2 Ų233.2 Ų33.21%0.01217%0.169CC..  trans-55.8125.6-179.8-52.80000110.8L122 I195 S199 L204 Q272L122-T202 HydrophobicContact CD1-CG2 3.9Å; L122-T202 HydrophobicContact CG-CG2 3.9Å; I195-T202 HydrophobicContact CG2-CG2 3.84Å; S199-T202 WeakPolarHBondContact O-CB 3.47Å; S199-T202 PolarHBondContact O-N 2.95Å; S199-T202 PolarHBondContact O-OG1 3.22Å; T202-L204 HydrophobicContact CG2-CD2 4.06Å; T202-Q272 PolarHBondContact O-NE2 3.2Å
203K98.8Very high98.1Very high69 Ų6935.4 Ų35.430%0.318%0.182SC..EExtended strand (participates in β ladder)trans-87.8137.7174.5-67.8-177.3-178-177.80111N120 A121 L122 D201 F295 L296N120-K203 PolarHBondContact O-N 2.96Å; A121-K203 CarbonylContact C-O 3.53Å; A121-K203 WeakPolarHBondContact CA-O 3.38Å; A121-K203 HydrophobicContact CB-CB 3.81Å; A121-K203 VanDerWaalsContact CB-O 3.31Å; A121-K203 WeakPolarHBondContact CB-O 3.29Å; L122-K203 PolarHBondContact N-O 2.97Å; D201-K203 PolarHBondContact O-N 3.28Å; K203-F295 HydrophobicContact CB-CE1 3.86Å; K203-F295 HydrophobicContact CB-CZ 3.76Å; K203-F295 HydrophobicContact CD-CE1 4.4Å; K203-F295 HydrophobicContact CD-CZ 4.33Å; K203-F295 WeakPolarHBondContact CD-O 3.45Å; K203-F295 WeakPolarHBondContact CE-O 3.38Å; K203-F295 HydrophobicContact CG-CZ 4.2Å; K203-F295 PolarHBondContact NZ-O 3.26Å; K203-L296 VanDerWaalsContact NZ-C 3.33Å; K203-L296 PolarHBondContact NZ-O 3.28Å
204L98.9Very high98.1Very high0 Ų030.9 Ų30.90%016%0.162CC..EExtended strand (participates in β ladder)trans-115.8135.1-174.2-52.3179.6000110.9L122 V124 I195 T202 W264 F268 Q272 M273 H274 F295L122-L204 HydrophobicContact CB-CD2 4.23Å; L122-L204 HydrophobicContact CD1-CD2 4.31Å; V124-L204 HydrophobicContact CG1-CD2 3.95Å; I195-L204 HydrophobicContact CG2-CD2 4.34Å; T202-L204 HydrophobicContact CG2-CD2 4.06Å; L204-W264 HydrophobicContact CD1-CD2 4.43Å; L204-W264 HydrophobicContact CD1-CE3 3.36Å; L204-W264 HydrophobicContact CD1-CZ3 3.47Å; L204-W264 VanDerWaalsContact CD1-CZ3 3.47Å; L204-W264 HydrophobicContact CD2-CZ3 4.19Å; L204-W264 HydrophobicContact CG-CZ3 4.47Å; L204-F268 HydrophobicContact CD1-CB 4.18Å; L204-F268 HydrophobicContact CD1-CD1 3.76Å; L204-F268 HydrophobicContact CD1-CD2 3.67Å; L204-F268 HydrophobicContact CD1-CE1 4.06Å; L204-F268 HydrophobicContact CD1-CE2 3.96Å; L204-F268 HydrophobicContact CD1-CG 3.56Å; L204-F268 HydrophobicContact CD1-CZ 4.16Å; L204-F268 HydrophobicContact CD2-CE1 4.44Å; L204-F268 HydrophobicContact CG-CD1 4.24Å; L204-F268 HydrophobicContact CG-CE1 4.34Å; L204-Q272 PolarHBondContact N-O 2.77Å; L204-M273 HydrophobicContact CB-CG 4.27Å; L204-M273 HydrophobicContact CD1-CE 4.14Å; L204-M273 HydrophobicContact CD1-CG 4.16Å; L204-M273 HydrophobicContact CD1-SD 4.5Å; L204-M273 CarbonylContact O-C 3.57Å; L204-M273 WeakPolarHBondContact O-CA 3.42Å; L204-H274 PolarHBondContact O-N 3.41Å; L204-F295 WeakPolarHBondContact O-CE1 3.29Å; L204-F295 WeakPolarHBondContact O-CZ 3.37Å
205I98.9Very high98.1Very high1 Ų128.4 Ų28.41%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-117125175-62.4171.5000108.8L122 I123 V124 V207 H274 V276 V292 F295 L296L122-I205 PolarHBondContact O-N 3.12Å; I123-I205 CarbonylContact C-O 3.59Å; I123-I205 WeakPolarHBondContact CA-O 3.34Å; I123-I205 HydrophobicContact CB-CB 4.48Å; I123-I205 HydrophobicContact CG1-CB 4.1Å; I123-I205 HydrophobicContact CG1-CD1 4.3Å; I123-I205 HydrophobicContact CG1-CG2 4.32Å; I123-I205 HydrophobicContact CG2-CG2 4.3Å; V124-I205 PolarHBondContact N-O 2.81Å; I205-V207 HydrophobicContact CG2-CG2 4.21Å; I205-H274 WeakPolarHBondContact CA-O 3.44Å; I205-V276 HydrophobicContact CG2-CG2 3.89Å; I205-V292 HydrophobicContact CD1-CG1 3.95Å; I205-F295 HydrophobicContact CG1-CD1 4.16Å; I205-F295 HydrophobicContact CG1-CE1 3.83Å; I205-L296 HydrophobicContact CD1-CD1 4.41Å; I205-L296 HydrophobicContact CD1-CD2 4.26Å; I205-L296 HydrophobicContact CD1-CG 4.44Å
206V98.9Very high98.1Very high0 Ų028.9 Ų28.90%015%0.154CC..EExtended strand (participates in β ladder)trans-118.5105.6177.1-168.60000108.5V124 G125 V126 F186 V208 M273 H274 F275 V276V124-V206 HydrophobicContact CG2-CG2 3.88Å; G125-V206 CarbonylContact O-C 3.05Å; G125-V206 WeakPolarHBondContact O-CA 3.44Å; V126-V206 HydrophobicContact CG1-CG1 3.79Å; F186-V206 HydrophobicContact CD2-CG1 3.92Å; F186-V206 HydrophobicContact CD2-CG2 4.07Å; F186-V206 HydrophobicContact CE2-CG1 3.79Å; F186-V206 HydrophobicContact CE2-CG2 4.04Å; F186-V206 HydrophobicContact CG-CG1 4.44Å; F186-V206 HydrophobicContact CZ-CG1 4.19Å; V206-V208 HydrophobicContact CG1-CG1 3.87Å; V206-V208 PolarHBondContact O-N 2.86Å; V206-M273 HydrophobicContact CG2-CE 4.03Å; V206-H274 PolarHBondContact N-O 2.8Å; V206-F275 HydrophobicContact CB-CD1 3.74Å; V206-F275 HydrophobicContact CB-CE1 3.91Å; V206-F275 HydrophobicContact CG1-CD1 4.25Å; V206-F275 HydrophobicContact CG1-CE1 4.37Å; V206-F275 HydrophobicContact CG2-CD1 4.22Å; V206-F275 HydrophobicContact CG2-CE1 3.89Å; V206-F275 CarbonylContact O-C 3.56Å; V206-F275 VanDerWaalsContact O-CA 3.31Å; V206-F275 WeakPolarHBondContact O-CA 3.36Å; V206-V276 PolarHBondContact O-N 3.36Å
207V98.8Very high98.1Very high0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-85.1100.3174.1-165.90000108.3I123 G125 V126 G129 T131 V134 I205 V276 L281I123-V207 HydrophobicContact CG2-CG2 4.08Å; G125-V207 PolarHBondContact O-N 3.13Å; V126-V207 WeakPolarHBondContact CG2-O 3.34Å; V126-V207 PolarHBondContact N-O 3.3Å; G129-V207 WeakPolarHBondContact CA-O 3.4Å; T131-V207 HydrophobicContact CG2-CB 3.99Å; T131-V207 HydrophobicContact CG2-CG2 4Å; V134-V207 HydrophobicContact CB-CG2 4.19Å; V134-V207 HydrophobicContact CG2-CG1 4.18Å; V134-V207 HydrophobicContact CG2-CG2 3.53Å; I205-V207 HydrophobicContact CG2-CG2 4.21Å; V207-V276 WeakPolarHBondContact CA-O 3.41Å; V207-V276 HydrophobicContact CB-CB 4.36Å; V207-V276 HydrophobicContact CG1-CB 4.17Å; V207-V276 HydrophobicContact CG1-CG1 4.01Å; V207-V276 HydrophobicContact CG2-CB 4.14Å; V207-V276 HydrophobicContact CG2-CG1 4.45Å; V207-L281 HydrophobicContact CG1-CD2 4.21Å
208V98.8Very high98.1Very high0 Ų025.8 Ų25.80%013%0.133CC..EExtended strand (participates in β ladder)trans-89.9173.3179.3-68.90000111.3V126 V206 Y257 V276 G278 F360 F368 W370V126-V208 HydrophobicContact CG1-CG1 4.29Å; V206-V208 HydrophobicContact CG1-CG1 3.87Å; V206-V208 PolarHBondContact O-N 2.86Å; V208-Y257 HydrophobicContact CB-CD2 4.47Å; V208-Y257 HydrophobicContact CB-CE2 4.13Å; V208-Y257 HydrophobicContact CG1-CD2 4.19Å; V208-Y257 HydrophobicContact CG1-CE2 4.26Å; V208-Y257 HydrophobicContact CG1-CG 4.47Å; V208-V276 WeakPolarHBondContact CG2-O 3.34Å; V208-V276 PolarHBondContact N-O 2.84Å; V208-G278 VanDerWaalsContact O-CA 3.23Å; V208-G278 WeakPolarHBondContact O-CA 3.32Å; V208-G278 PolarHBondContact O-N 3.45Å; V208-F360 HydrophobicContact CG1-CE1 4.32Å; V208-F360 HydrophobicContact CG1-CZ 3.84Å; V208-F360 HydrophobicContact CG2-CE1 4.48Å; V208-F368 HydrophobicContact CG2-CD1 3.64Å; V208-F368 HydrophobicContact CG2-CE1 3.31Å; V208-F368 HydrophobicContact CG2-CE2 4.41Å; V208-F368 HydrophobicContact CG2-CG 4.34Å; V208-F368 HydrophobicContact CG2-CZ 3.76Å; V208-W370 HydrophobicContact CB-CH2 3.76Å; V208-W370 HydrophobicContact CB-CZ2 3.84Å; V208-W370 HydrophobicContact CG2-CH2 3.83Å; V208-W370 HydrophobicContact CG2-CZ2 3.7Å
209R98.6Very high98.1Very high45 Ų4525.4 Ų25.417%0.1713%0.13CC..  trans-166153.6-175.7-176.6-171167.5139.412.7108.6P211 T213 R214 Y257 E279 W370R209-P211 WeakPolarHBondContact O-CD 3.18Å; R209-P211 VanDerWaalsContact O-N 3.11Å; R209-T213 PolarHBondContact NE-OG1 2.92Å; R209-T213 PolarHBondContact NH2-OG1 3.4Å; R209-R214 HydrophobicContact CB-CB 4.36Å; R209-R214 HydrophobicContact CG-CB 4.43Å; R209-Y257 VanDerWaalsContact O-CE2 3.26Å; R209-Y257 WeakPolarHBondContact O-CE2 3.28Å; R209-Y257 PolarHBondContact O-OH 3.1Å; R209-E279 WeakPolarHBondContact CA-OE1 3.37Å; R209-E279 WeakPolarHBondContact CG-OE1 3.28Å; R209-W370 VanDerWaalsContact C-CE2 3.43Å
210N98.6Very high98.1Very high22 Ų2223.5 Ų23.512%0.11812%0.117CC..  trans-44.1118.9171166.2-71000110.2V212 T213 R214 E279 W370N210-V212 VanDerWaalsContact C-N 3.31Å; N210-V212 PolarHBondContact O-N 3.49Å; N210-V212 WeakPolarHBondContact OD1-CB 3.4Å; N210-V212 PolarHBondContact OD1-N 3.37Å; N210-V212 VanDerWaalsContact OD1-N 3.15Å; N210-T213 PolarHBondContact O-N 2.94Å; N210-T213 PolarHBondContact O-OG1 3.31Å; N210-T213 WeakPolarHBondContact OD1-CG2 3.41Å; N210-T213 PolarHBondContact OD1-N 2.72Å; N210-R214 VanDerWaalsContact O-CB 3.28Å; N210-R214 WeakPolarHBondContact O-CB 3.29Å; N210-R214 PolarHBondContact O-N 2.88Å; N210-E279 PolarHBondContact N-OE1 3.35Å; N210-W370 VanDerWaalsContact CA-CG 3.49Å; N210-W370 HydrophobicContact CB-CB 3.98Å; N210-W370 HydrophobicContact CB-CD2 4.39Å; N210-W370 HydrophobicContact CB-CG 3.71Å; N210-W370 VanDerWaalsContact N-CE2 3.35Å; N210-W370 VanDerWaalsContact N-NE1 3.14Å; N210-W370 PolarHBondContact ND2-O 3.4Å
211P98.8Very high98.2Very high0 Ų019.8 Ų19.80%010%0.099CC..Hα-helixtrans-58.7-34.4-170.6-31.637.2000115.3R209 R214 A215 Y257 Y353 N357 W370R209-P211 WeakPolarHBondContact O-CD 3.18Å; R209-P211 VanDerWaalsContact O-N 3.11Å; P211-R214 WeakPolarHBondContact O-CB 3.42Å; P211-R214 PolarHBondContact O-N 2.92Å; P211-A215 WeakPolarHBondContact O-CB 3.33Å; P211-A215 PolarHBondContact O-N 3.31Å; P211-Y257 HydrophobicContact CG-CD2 4.4Å; P211-Y257 HydrophobicContact CG-CE2 3.83Å; P211-Y353 HydrophobicContact CB-CD1 3.57Å; P211-Y353 HydrophobicContact CB-CD2 3.6Å; P211-Y353 HydrophobicContact CB-CE1 3.58Å; P211-Y353 HydrophobicContact CB-CE2 3.63Å; P211-Y353 HydrophobicContact CB-CG 3.58Å; P211-Y353 HydrophobicContact CG-CD1 4.13Å; P211-Y353 HydrophobicContact CG-CG 4.15Å; P211-N357 WeakPolarHBondContact CG-OD1 3.37Å; P211-W370 HydrophobicContact CG-CE3 4.28Å; P211-W370 HydrophobicContact CG-CZ3 4.45Å
212V98.4Very high98.2Very high3 Ų317 Ų172%0.0189%0.087CC..Hα-helixtrans-64.9-55.4177.4-172.20000110N210 R214 A215 I216 I346 L349 Q350 Y353N210-V212 VanDerWaalsContact C-N 3.31Å; N210-V212 PolarHBondContact O-N 3.49Å; N210-V212 WeakPolarHBondContact OD1-CB 3.4Å; N210-V212 PolarHBondContact OD1-N 3.37Å; N210-V212 VanDerWaalsContact OD1-N 3.15Å; V212-R214 PolarHBondContact O-N 3.17Å; V212-A215 WeakPolarHBondContact O-CB 3.23Å; V212-A215 PolarHBondContact O-N 3.37Å; V212-I216 HydrophobicContact CG1-CD1 3.98Å; V212-I216 WeakPolarHBondContact O-CG1 3.38Å; V212-I216 PolarHBondContact O-N 3.18Å; V212-I346 HydrophobicContact CG1-CG2 4.24Å; V212-L349 HydrophobicContact CG1-CB 4.07Å; V212-L349 HydrophobicContact CG1-CD1 4.24Å; V212-L349 HydrophobicContact CG2-CB 3.81Å; V212-Q350 HydrophobicContact CG2-CG 3.9Å; V212-Y353 HydrophobicContact CG2-CD2 3.69Å; V212-Y353 HydrophobicContact CG2-CE2 4Å
213T98Very high98.1Very high46 Ų4619 Ų1928%0.28210%0.097SC..Hα-helixtrans-67.3-24.717973.60000112.6R209 N210 S217R209-T213 PolarHBondContact NE-OG1 2.92Å; R209-T213 PolarHBondContact NH2-OG1 3.4Å; N210-T213 PolarHBondContact O-N 2.94Å; N210-T213 PolarHBondContact O-OG1 3.31Å; N210-T213 WeakPolarHBondContact OD1-CG2 3.41Å; N210-T213 PolarHBondContact OD1-N 2.72Å; T213-S217 VanDerWaalsContact O-CB 3.29Å; T213-S217 WeakPolarHBondContact O-CB 3.46Å; T213-S217 PolarHBondContact O-N 3.46Å
214R98.6Very high97.9Very high0 Ų018.7 Ų18.70%010%0.103CC..Hα-helixtrans-66.3-44.9169.7-172.7-123.173.478.3-1.7111.4V126 K127 K128 R209 N210 P211 V212 D218 A251 Y257V126-R214 HydrophobicContact CG2-CG 4.28Å; K127-R214 PolarHBondContact O-NH1 2.97Å; K128-R214 HydrophobicContact CB-CG 4.15Å; R209-R214 HydrophobicContact CB-CB 4.36Å; R209-R214 HydrophobicContact CG-CB 4.43Å; N210-R214 VanDerWaalsContact O-CB 3.28Å; N210-R214 WeakPolarHBondContact O-CB 3.29Å; N210-R214 PolarHBondContact O-N 2.88Å; P211-R214 WeakPolarHBondContact O-CB 3.42Å; P211-R214 PolarHBondContact O-N 2.92Å; V212-R214 PolarHBondContact O-N 3.17Å; R214-D218 IonicContact CZ-OD2 2.85Å; R214-D218 IonicContact NH1-OD2 3.33Å; R214-D218 PolarHBondContact NH1-OD2 3.29Å; R214-D218 IonicContact NH2-OD2 3.96Å; R214-D218 PolarHBondContact NH2-OD2 3.31Å; R214-D218 VanDerWaalsContact NH2-OD2 3.13Å; R214-D218 PolarHBondContact O-N 2.96Å; R214-D218 VanDerWaalsContact O-N 3.1Å; R214-A251 PolarHBondContact NH2-O 3.46Å; R214-Y257 VanDerWaalsContact CD-OH 3.28Å; R214-Y257 WeakPolarHBondContact CD-OH 3.43Å
215A98.6Very high97.7Very high0 Ų026.5 Ų26.50%014%0.137CC..Hα-helixtrans-65-50.3176.500000112.1P211 V212 S217 D218 Y219 F232 A251P211-A215 WeakPolarHBondContact O-CB 3.33Å; P211-A215 PolarHBondContact O-N 3.31Å; V212-A215 WeakPolarHBondContact O-CB 3.23Å; V212-A215 PolarHBondContact O-N 3.37Å; A215-S217 VanDerWaalsContact C-N 3.27Å; A215-S217 PolarHBondContact O-N 3.05Å; A215-D218 WeakPolarHBondContact O-CA 3.3Å; A215-D218 VanDerWaalsContact O-CB 3.28Å; A215-D218 WeakPolarHBondContact O-CB 3.35Å; A215-D218 PolarHBondContact O-N 3.25Å; A215-Y219 PolarHBondContact O-N 3Å; A215-F232 HydrophobicContact CB-CE2 4.15Å; A215-F232 HydrophobicContact CB-CZ 4.23Å; A215-A251 VanDerWaalsContact CB-O 3.22Å; A215-A251 WeakPolarHBondContact CB-O 3.23Å
216I98.3Very high97.5Very high10 Ų1033.1 Ų33.15%0.05117%0.166CC..Hα-helixtrans-57.7-41.6176.6-61.4167.1000110.6V212 D218 Y219 T220 F232 H338 V339 I341V212-I216 HydrophobicContact CG1-CD1 3.98Å; V212-I216 WeakPolarHBondContact O-CG1 3.38Å; V212-I216 PolarHBondContact O-N 3.18Å; I216-D218 VanDerWaalsContact C-N 3.27Å; I216-D218 PolarHBondContact O-N 3.44Å; I216-Y219 PolarHBondContact O-N 2.71Å; I216-T220 VanDerWaalsContact O-CB 3.29Å; I216-T220 WeakPolarHBondContact O-CB 3.43Å; I216-T220 PolarHBondContact O-N 2.92Å; I216-T220 PolarHBondContact O-OG1 3.34Å; I216-F232 HydrophobicContact CB-CE2 4.4Å; I216-F232 HydrophobicContact CG1-CD1 4.48Å; I216-F232 HydrophobicContact CG1-CD2 4.36Å; I216-F232 HydrophobicContact CG1-CE1 3.92Å; I216-F232 HydrophobicContact CG1-CE2 3.81Å; I216-F232 HydrophobicContact CG1-CZ 3.56Å; I216-H338 HydrophobicContact CG2-CB 3.96Å; I216-V339 HydrophobicContact CG2-CG2 4.18Å; I216-I341 HydrophobicContact CD1-CB 4.31Å; I216-I341 HydrophobicContact CD1-CG1 3.82Å; I216-I341 HydrophobicContact CG1-CG1 3.99Å; I216-I341 HydrophobicContact CG2-CG1 4.02Å
217S97.7Very high97.2Very high13 Ų1337.5 Ų37.59%0.09120%0.195CC..Hα-helixtrans-66-30175.9-154.70000112.7K128 T213 A215 Q221 H338K128-S217 WeakPolarHBondContact CE-O 3.34Å; K128-S217 VanDerWaalsContact CE-OG 3.29Å; K128-S217 WeakPolarHBondContact CE-OG 3.39Å; K128-S217 PolarHBondContact NZ-O 3.21Å; K128-S217 PolarHBondContact NZ-OG 2.98Å; T213-S217 VanDerWaalsContact O-CB 3.29Å; T213-S217 WeakPolarHBondContact O-CB 3.46Å; T213-S217 PolarHBondContact O-N 3.46Å; A215-S217 VanDerWaalsContact C-N 3.27Å; A215-S217 PolarHBondContact O-N 3.05Å; S217-Q221 PolarHBondContact O-N 2.67Å; S217-H338 VanDerWaalsContact CB-CE1 3.48Å; S217-H338 WeakPolarHBondContact CB-CE1 3.17Å; S217-H338 VanDerWaalsContact CB-NE2 3.29Å; S217-H338 WeakPolarHBondContact CB-NE2 3.27Å; S217-H338 PolarHBondContact OG-NE2 3.11Å
218D98.1Very high97Very high3 Ų344.9 Ų44.92%0.01623%0.234CC..Hα-helixtrans-71.6-50.9177-143.2-13.4000111K127 K128 R214 A215 I216 T220 Q221 T222 A251K127-D218 WeakPolarHBondContact CD-OD2 3.41Å; K127-D218 WeakPolarHBondContact CE-OD1 3.35Å; K127-D218 WeakPolarHBondContact CE-OD2 3.25Å; K127-D218 IonicContact NZ-OD1 3.57Å; K127-D218 PolarHBondContact NZ-OD1 3.09Å; K127-D218 IonicContact NZ-OD2 2.65Å; K127-D218 PolarHBondContact NZ-OD2 3.03Å; K128-D218 HydrophobicContact CD-CB 4.34Å; K128-D218 HydrophobicContact CG-CB 3.7Å; R214-D218 IonicContact CZ-OD2 2.85Å; R214-D218 IonicContact NH1-OD2 3.33Å; R214-D218 PolarHBondContact NH1-OD2 3.29Å; R214-D218 IonicContact NH2-OD2 3.96Å; R214-D218 PolarHBondContact NH2-OD2 3.31Å; R214-D218 VanDerWaalsContact NH2-OD2 3.13Å; R214-D218 PolarHBondContact O-N 2.96Å; R214-D218 VanDerWaalsContact O-N 3.1Å; A215-D218 WeakPolarHBondContact O-CA 3.3Å; A215-D218 VanDerWaalsContact O-CB 3.28Å; A215-D218 WeakPolarHBondContact O-CB 3.35Å; A215-D218 PolarHBondContact O-N 3.25Å; I216-D218 VanDerWaalsContact C-N 3.27Å; I216-D218 PolarHBondContact O-N 3.44Å; D218-T220 PolarHBondContact O-N 2.86Å; D218-Q221 WeakPolarHBondContact O-CA 3.49Å; D218-Q221 WeakPolarHBondContact O-CB 3.44Å; D218-Q221 PolarHBondContact O-N 3.05Å; D218-T222 PolarHBondContact O-N 2.81Å; D218-T222 PolarHBondContact O-OG1 3.5Å; D218-A251 HydrophobicContact CB-CB 4.43Å
219Y98.1Very high96.9Very high18 Ų1846.7 Ų46.77%0.07124%0.244CC..Hα-helixtrans-51.6-52.2170.8171.6-101.2000111.9A215 I216 Q221 T222 L223 I229 P230 F232 L235 W249 V339A215-Y219 PolarHBondContact O-N 3Å; I216-Y219 PolarHBondContact O-N 2.71Å; Y219-Q221 PolarHBondContact O-N 2.72Å; Y219-T222 CarbonylContact O-C 3.56Å; Y219-T222 WeakPolarHBondContact O-CA 3.48Å; Y219-T222 WeakPolarHBondContact O-CB 3.49Å; Y219-T222 PolarHBondContact O-N 3.35Å; Y219-L223 HydrophobicContact CE1-CD2 4.08Å; Y219-L223 PolarHBondContact O-N 3.33Å; Y219-I229 HydrophobicContact CD2-CD1 3.94Å; Y219-I229 HydrophobicContact CE2-CD1 3.49Å; Y219-I229 VanDerWaalsContact CE2-CD1 3.49Å; Y219-I229 HydrophobicContact CE2-CG1 4.03Å; Y219-P230 WeakPolarHBondContact CE2-O 3.23Å; Y219-P230 PolarHBondContact OH-O 2.87Å; Y219-F232 HydrophobicContact CD1-CB 3.91Å; Y219-F232 HydrophobicContact CD1-CD2 4.08Å; Y219-F232 HydrophobicContact CD1-CG 4.44Å; Y219-F232 HydrophobicContact CD2-CB 4.39Å; Y219-F232 HydrophobicContact CD2-CD2 4.38Å; Y219-F232 HydrophobicContact CE1-CB 3.93Å; Y219-F232 HydrophobicContact CE2-CB 4.4Å; Y219-F232 HydrophobicContact CG-CB 4.15Å; Y219-F232 AromaticContact CG-CD2 3.79Å; Y219-F232 HydrophobicContact CG-CD2 3.79Å; Y219-F232 HydrophobicContact CG-CG 4.47Å; Y219-L235 HydrophobicContact CD2-CD1 4.13Å; Y219-L235 HydrophobicContact CE2-CD1 4.02Å; Y219-W249 HydrophobicContact CD2-CH2 4.03Å; Y219-W249 HydrophobicContact CD2-CZ2 4.08Å; Y219-W249 HydrophobicContact CG-CH2 4.38Å; Y219-V339 HydrophobicContact CD1-CG2 3.85Å; Y219-V339 HydrophobicContact CE1-CG1 4.17Å; Y219-V339 HydrophobicContact CE1-CG2 3.78Å
220T96.9Very high96.8Very high9 Ų947.8 Ų47.86%0.05526%0.256CS..Hα-helixtrans-54.6-30.9176.8-58.60000112.7I216 D218 S224 R336 T337I216-T220 VanDerWaalsContact O-CB 3.29Å; I216-T220 WeakPolarHBondContact O-CB 3.43Å; I216-T220 PolarHBondContact O-N 2.92Å; I216-T220 PolarHBondContact O-OG1 3.34Å; D218-T220 PolarHBondContact O-N 2.86Å; T220-S224 WeakPolarHBondContact O-CB 3.38Å; T220-S224 PolarHBondContact O-N 3Å; T220-S224 PolarHBondContact O-OG 3.49Å; T220-R336 HydrophobicContact CG2-CB 4.09Å; T220-T337 WeakPolarHBondContact CG2-O 3.16Å
221Q96.3Very high96.7Very high53 Ų5349.6 Ų49.625%0.24827%0.268CS..Hα-helixtrans-78.8-35.2175.1169172.8-3500113K128 S217 D218 Y219 S224K128-Q221 VanDerWaalsContact NZ-CB 3.34Å; S217-Q221 PolarHBondContact O-N 2.67Å; D218-Q221 WeakPolarHBondContact O-CA 3.49Å; D218-Q221 WeakPolarHBondContact O-CB 3.44Å; D218-Q221 PolarHBondContact O-N 3.05Å; Y219-Q221 PolarHBondContact O-N 2.72Å; Q221-S224 WeakPolarHBondContact CA-OG 3.45Å; Q221-S224 PolarHBondContact O-OG 3.01Å
222T96.3Very high96.6Very high62 Ų6249.6 Ų49.638%0.3827%0.268SS..Hα-helixtrans-66.2-48172.7-53.50000110.7D218 Y219 S224 K225 K226 I229D218-T222 PolarHBondContact O-N 2.81Å; D218-T222 PolarHBondContact O-OG1 3.5Å; Y219-T222 CarbonylContact O-C 3.56Å; Y219-T222 WeakPolarHBondContact O-CA 3.48Å; Y219-T222 WeakPolarHBondContact O-CB 3.49Å; Y219-T222 PolarHBondContact O-N 3.35Å; T222-S224 VanDerWaalsContact C-N 3.3Å; T222-S224 PolarHBondContact O-N 3.33Å; T222-K225 CarbonylContact O-C 3.54Å; T222-K225 WeakPolarHBondContact O-CA 3.47Å; T222-K225 WeakPolarHBondContact O-CB 3.47Å; T222-K225 PolarHBondContact O-N 3.06Å; T222-K226 PolarHBondContact O-N 3.38Å; T222-I229 HydrophobicContact CG2-CD1 4Å
223L95.8Very high96.5Very high46 Ų4650.9 Ų50.924%0.24127%0.274CS..Hα-helixtrans-54.2-44.7174.7-170.566.6000111.4Y219 K225 K226 P227 I229 V339Y219-L223 HydrophobicContact CE1-CD2 4.08Å; Y219-L223 PolarHBondContact O-N 3.33Å; L223-K225 PolarHBondContact O-N 3.46Å; L223-K226 WeakPolarHBondContact CA-O 3.44Å; L223-K226 CarbonylContact O-C 3.53Å; L223-K226 VanDerWaalsContact O-C 3.23Å; L223-K226 PolarHBondContact O-N 2.87Å; L223-P227 WeakPolarHBondContact CD1-O 3.38Å; L223-I229 HydrophobicContact CB-CD1 4.02Å; L223-I229 HydrophobicContact CD1-CD1 4.03Å; L223-I229 HydrophobicContact CD1-CG1 3.71Å; L223-V339 HydrophobicContact CD2-CG1 3.74Å
224S94.2Very high96.4Very high61 Ų6154.8 Ų54.843%0.42729%0.289SS..THydrogen-bonded Turntrans-68.18.4174.975.70000115.9T220 Q221 T222 R336T220-S224 WeakPolarHBondContact O-CB 3.38Å; T220-S224 PolarHBondContact O-N 3Å; T220-S224 PolarHBondContact O-OG 3.49Å; Q221-S224 WeakPolarHBondContact CA-OG 3.45Å; Q221-S224 PolarHBondContact O-OG 3.01Å; T222-S224 VanDerWaalsContact C-N 3.3Å; T222-S224 PolarHBondContact O-N 3.33Å; S224-R336 VanDerWaalsContact OG-CZ 3.31Å; S224-R336 PolarHBondContact OG-NE 2.95Å; S224-R336 PolarHBondContact OG-NH2 3.27Å
225K95Very high96.4Very high164 Ų16457 Ų5771%0.71330%0.301SS*.THydrogen-bonded Turntrans-130.2-24.4174-72.4-173.4164.9-154.50113.4T222 L223T222-K225 CarbonylContact O-C 3.54Å; T222-K225 WeakPolarHBondContact O-CA 3.47Å; T222-K225 WeakPolarHBondContact O-CB 3.47Å; T222-K225 PolarHBondContact O-N 3.06Å; L223-K225 PolarHBondContact O-N 3.46Å
226K94.8Very high96.3Very high141 Ų14157 Ų5761%0.61330%0.301SS*.  trans-142.295.8178.2-69.5-168.6171.1-160.90106.3T222 L223 D228 I229T222-K226 PolarHBondContact O-N 3.38Å; L223-K226 WeakPolarHBondContact CA-O 3.44Å; L223-K226 CarbonylContact O-C 3.53Å; L223-K226 VanDerWaalsContact O-C 3.23Å; L223-K226 PolarHBondContact O-N 2.87Å; K226-D228 PolarHBondContact O-N 3.36Å; K226-I229 HydrophobicContact CB-CG2 3.9Å
227P92Very high96.3Very high92 Ų9257.2 Ų57.260%0.59730%0.301SS*.SBendtrans-60.9-35.8178.7-23.335.1000111.9L223 I229L223-P227 WeakPolarHBondContact CD1-O 3.38Å; P227-I229 PolarHBondContact O-N 2.76Å
228D94.9Very high96.2Very high154 Ų15463.8 Ų63.882%0.82433%0.328SS*.SBendtrans-87.553.9-169-30.8-82.5000111.4K226K226-D228 PolarHBondContact O-N 3.36Å
229I96.4Very high96Very high39 Ų3966.7 Ų66.720%0.234%0.344CS..SBendtrans-111.6152.5171.561.1177000109.9Y219 T222 L223 K226 P227Y219-I229 HydrophobicContact CD2-CD1 3.94Å; Y219-I229 HydrophobicContact CE2-CD1 3.49Å; Y219-I229 VanDerWaalsContact CE2-CD1 3.49Å; Y219-I229 HydrophobicContact CE2-CG1 4.03Å; T222-I229 HydrophobicContact CG2-CD1 4Å; L223-I229 HydrophobicContact CB-CD1 4.02Å; L223-I229 HydrophobicContact CD1-CD1 4.03Å; L223-I229 HydrophobicContact CD1-CG1 3.71Å; K226-I229 HydrophobicContact CB-CG2 3.9Å; P227-I229 PolarHBondContact O-N 2.76Å
230P96.9Very high95.6Very high67 Ų6769.4 Ų69.444%0.43535%0.354SS..  trans-57.8162.4170.9-21.432.9000111.6Y219 E234 L235Y219-P230 WeakPolarHBondContact CE2-O 3.23Å; Y219-P230 PolarHBondContact OH-O 2.87Å; P230-E234 HydrophobicContact CB-CB 3.98Å; P230-L235 HydrophobicContact CB-CD2 4.19Å; P230-L235 HydrophobicContact CB-CG 4.15Å; P230-L235 HydrophobicContact CG-CD2 4.2Å
231T96.7Very high95.3Very high60 Ų6074.6 Ų74.637%0.36839%0.391SS..  trans-57.1165.6179.360.60000112.5E233 E234 L235T231-E233 WeakPolarHBondContact CB-OE2 3.07Å; T231-E233 PolarHBondContact O-N 2.82Å; T231-E234 VanDerWaalsContact CB-OE2 3.31Å; T231-E234 WeakPolarHBondContact CB-OE2 3.03Å; T231-E234 WeakPolarHBondContact CG2-OE2 3.49Å; T231-E234 PolarHBondContact N-OE2 3.23Å; T231-E234 WeakPolarHBondContact OG1-CB 3.38Å; T231-E234 VanDerWaalsContact OG1-CD 3.24Å; T231-E234 WeakPolarHBondContact OG1-CG 3.45Å; T231-E234 PolarHBondContact OG1-N 3.19Å; T231-E234 VanDerWaalsContact OG1-N 3.14Å; T231-E234 PolarHBondContact OG1-OE2 3.06Å; T231-L235 VanDerWaalsContact O-CG 3.31Å; T231-L235 WeakPolarHBondContact O-CG 3.29Å; T231-L235 PolarHBondContact O-N 3.19Å
232F97.6Very high95Very high0 Ų077.7 Ų77.70%041%0.408CS..Hα-helixtrans-63.1-36.9176.5175.3-98000110.6A215 I216 Y219 L235 A236 W249 I341 V345 L349A215-F232 HydrophobicContact CB-CE2 4.15Å; A215-F232 HydrophobicContact CB-CZ 4.23Å; I216-F232 HydrophobicContact CB-CE2 4.4Å; I216-F232 HydrophobicContact CG1-CD1 4.48Å; I216-F232 HydrophobicContact CG1-CD2 4.36Å; I216-F232 HydrophobicContact CG1-CE1 3.92Å; I216-F232 HydrophobicContact CG1-CE2 3.81Å; I216-F232 HydrophobicContact CG1-CZ 3.56Å; Y219-F232 HydrophobicContact CD1-CB 3.91Å; Y219-F232 HydrophobicContact CD1-CD2 4.08Å; Y219-F232 HydrophobicContact CD1-CG 4.44Å; Y219-F232 HydrophobicContact CD2-CB 4.39Å; Y219-F232 HydrophobicContact CD2-CD2 4.38Å; Y219-F232 HydrophobicContact CE1-CB 3.93Å; Y219-F232 HydrophobicContact CE2-CB 4.4Å; Y219-F232 HydrophobicContact CG-CB 4.15Å; Y219-F232 AromaticContact CG-CD2 3.79Å; Y219-F232 HydrophobicContact CG-CD2 3.79Å; Y219-F232 HydrophobicContact CG-CG 4.47Å; F232-L235 PolarHBondContact O-N 3.33Å; F232-A236 HydrophobicContact CD1-CB 4.48Å; F232-A236 HydrophobicContact CE1-CB 4.26Å; F232-A236 WeakPolarHBondContact O-CB 3.48Å; F232-A236 PolarHBondContact O-N 2.92Å; F232-W249 AromaticContact CD2-CH2 3.68Å; F232-W249 HydrophobicContact CD2-CH2 3.68Å; F232-W249 AromaticContact CD2-CZ3 3.96Å; F232-W249 HydrophobicContact CD2-CZ3 3.96Å; F232-W249 AromaticContact CE2-CH2 3.89Å; F232-W249 HydrophobicContact CE2-CH2 3.89Å; F232-W249 AromaticContact CE2-CZ3 3.83Å; F232-W249 HydrophobicContact CE2-CZ3 3.83Å; F232-I341 HydrophobicContact CB-CD1 3.47Å; F232-I341 VanDerWaalsContact CB-CD1 3.47Å; F232-I341 HydrophobicContact CD1-CD1 3.6Å; F232-I341 HydrophobicContact CD1-CG1 4.14Å; F232-I341 HydrophobicContact CD1-CG2 3.95Å; F232-I341 HydrophobicContact CE1-CG2 4.19Å; F232-I341 HydrophobicContact CG-CD1 3.64Å; F232-I341 HydrophobicContact CG-CG1 4.48Å; F232-V345 HydrophobicContact CD1-CG1 4.2Å; F232-V345 HydrophobicContact CE1-CG1 4.08Å; F232-L349 HydrophobicContact CE1-CD1 3.52Å; F232-L349 HydrophobicContact CZ-CD1 3.7Å
233E96Very high94.8Very high31 Ų3176.3 Ų76.315%0.14541%0.406CS..Hα-helixtrans-64-51.9179.9-65.272.7-166.200111.7T231 L235 A236 F237 I341 V345T231-E233 WeakPolarHBondContact CB-OE2 3.07Å; T231-E233 PolarHBondContact O-N 2.82Å; E233-L235 PolarHBondContact O-N 3.33Å; E233-A236 PolarHBondContact O-N 2.9Å; E233-A236 VanDerWaalsContact O-N 3.15Å; E233-F237 WeakPolarHBondContact O-CD2 3.29Å; E233-F237 PolarHBondContact O-N 2.84Å; E233-I341 WeakPolarHBondContact OE1-CD1 3.31Å; E233-V345 HydrophobicContact CG-CG1 4.28Å; E233-V345 HydrophobicContact CG-CG2 3.96Å
234E96.2Very high94.8Very high128 Ų12878.7 Ų78.760%0.59842%0.418SS*.Hα-helixtrans-62.2-25.6176.1-71.5163.6127.200113.4P230 T231P230-E234 HydrophobicContact CB-CB 3.98Å; T231-E234 VanDerWaalsContact CB-OE2 3.31Å; T231-E234 WeakPolarHBondContact CB-OE2 3.03Å; T231-E234 WeakPolarHBondContact CG2-OE2 3.49Å; T231-E234 PolarHBondContact N-OE2 3.23Å; T231-E234 WeakPolarHBondContact OG1-CB 3.38Å; T231-E234 VanDerWaalsContact OG1-CD 3.24Å; T231-E234 WeakPolarHBondContact OG1-CG 3.45Å; T231-E234 PolarHBondContact OG1-N 3.19Å; T231-E234 VanDerWaalsContact OG1-N 3.14Å; T231-E234 PolarHBondContact OG1-OE2 3.06Å
235L97.4Very high94.9Very high46 Ų4676.5 Ų76.524%0.24140%0.402CS..Hα-helixtrans-91.8-22.2176.4-62.8174.7000113.2Y219 P230 T231 F232 E233 W249Y219-L235 HydrophobicContact CD2-CD1 4.13Å; Y219-L235 HydrophobicContact CE2-CD1 4.02Å; P230-L235 HydrophobicContact CB-CD2 4.19Å; P230-L235 HydrophobicContact CB-CG 4.15Å; P230-L235 HydrophobicContact CG-CD2 4.2Å; T231-L235 VanDerWaalsContact O-CG 3.31Å; T231-L235 WeakPolarHBondContact O-CG 3.29Å; T231-L235 PolarHBondContact O-N 3.19Å; F232-L235 PolarHBondContact O-N 3.33Å; E233-L235 PolarHBondContact O-N 3.33Å; L235-W249 VanDerWaalsContact C-CE3 3.44Å; L235-W249 HydrophobicContact CB-CD2 3.85Å; L235-W249 HydrophobicContact CB-CE3 3.85Å; L235-W249 HydrophobicContact CB-CH2 3.64Å; L235-W249 HydrophobicContact CB-CZ2 3.64Å; L235-W249 HydrophobicContact CB-CZ3 3.75Å; L235-W249 HydrophobicContact CD1-CH2 4.2Å; L235-W249 HydrophobicContact CD1-CZ2 3.66Å; L235-W249 HydrophobicContact CG-CZ2 4.29Å
236A97.6Very high95.1Very high0 Ų069.7 Ų69.70%037%0.374CS..Hα-helixtrans-83.4-25.2-177.300000113.5F232 E233 V245 D246 W249 I252 L349F232-A236 HydrophobicContact CD1-CB 4.48Å; F232-A236 HydrophobicContact CE1-CB 4.26Å; F232-A236 WeakPolarHBondContact O-CB 3.48Å; F232-A236 PolarHBondContact O-N 2.92Å; E233-A236 PolarHBondContact O-N 2.9Å; E233-A236 VanDerWaalsContact O-N 3.15Å; A236-V245 CarbonylContact O-C 3.23Å; A236-V245 VanDerWaalsContact O-CA 3.31Å; A236-V245 WeakPolarHBondContact O-CA 3.32Å; A236-V245 WeakPolarHBondContact O-CG1 3.44Å; A236-D246 PolarHBondContact O-N 3.07Å; A236-W249 HydrophobicContact CB-CZ3 4.18Å; A236-I252 HydrophobicContact CB-CD1 4.41Å; A236-L349 HydrophobicContact CB-CD1 4.44Å
237F97.9Very high95.2Very high15 Ų1565.9 Ų65.97%0.06636%0.363CS..EExtended strand (participates in β ladder)trans-129.1140.6-175.5-57.4-90.4000113E233 R240 L244 V245 V345 Q348 L349E233-F237 WeakPolarHBondContact O-CD2 3.29Å; E233-F237 PolarHBondContact O-N 2.84Å; F237-R240 HydrophobicContact CB-CB 4.31Å; F237-R240 HydrophobicContact CD2-CB 4.4Å; F237-R240 HydrophobicContact CG-CB 4.31Å; F237-L244 CarbonylContact C-O 3.51Å; F237-L244 WeakPolarHBondContact CA-O 3.16Å; F237-V245 HydrophobicContact CD1-CB 4.48Å; F237-V245 HydrophobicContact CD1-CG2 3.91Å; F237-V245 HydrophobicContact CE1-CG2 3.63Å; F237-V345 HydrophobicContact CE2-CB 4.35Å; F237-V345 HydrophobicContact CE2-CG1 3.81Å; F237-V345 HydrophobicContact CE2-CG2 3.97Å; F237-V345 HydrophobicContact CZ-CG1 4.28Å; F237-V345 HydrophobicContact CZ-CG2 4.47Å; F237-Q348 HydrophobicContact CE1-CB 4.05Å; F237-Q348 HydrophobicContact CZ-CB 3.93Å; F237-L349 HydrophobicContact CZ-CD2 4.32Å; F237-L349 HydrophobicContact CZ-CG 4.15Å
238K96.1Very high95.5Very high151 Ų15165.3 Ų65.366%0.65736%0.36SS*.EExtended strand (participates in β ladder)trans-75.2-29.5162.3-58.8-170.5-178.8-177.70111.8L244 D246K238-L244 PolarHBondContact N-O 3.11Å; K238-D246 WeakPolarHBondContact CE-OD1 3.44Å; K238-D246 HydrophobicContact CG-CB 3.8Å; K238-D246 IonicContact NZ-OD1 3.6Å
239N92.9Very high95.6Very high63 Ų6360.4 Ų60.434%0.33733%0.33SS..EExtended strand (participates in β ladder)trans-155.2106.5172.7-175.8-37.2000109S241 L242 G243 L244N239-S241 WeakPolarHBondContact OD1-CB 3.37Å; N239-S241 PolarHBondContact OD1-N 3.48Å; N239-S241 VanDerWaalsContact OD1-N 3.09Å; N239-L242 HydrophobicContact CB-CB 4.36Å; N239-L242 PolarHBondContact O-N 3.02Å; N239-L242 PolarHBondContact OD1-N 3.43Å; N239-L242 VanDerWaalsContact OD1-N 3.11Å; N239-G243 PolarHBondContact O-N 3.47Å; N239-L244 HydrophobicContact CB-CB 4.31Å; N239-L244 HydrophobicContact CB-CD1 4.35Å; N239-L244 PolarHBondContact N-O 3.26Å; N239-L244 PolarHBondContact O-N 2.73Å
240R89.3Confident95.6Very high75 Ų7562.6 Ų62.628%0.28334%0.343SS..G310 helixtrans-64.3-40.4-179.5179.5177.1167.4179.6-5.5112.2F237 L242 G243 E342 E344 Q348F237-R240 HydrophobicContact CB-CB 4.31Å; F237-R240 HydrophobicContact CD2-CB 4.4Å; F237-R240 HydrophobicContact CG-CB 4.31Å; R240-L242 PolarHBondContact O-N 3Å; R240-G243 PolarHBondContact O-N 3.42Å; R240-E342 IonicContact CZ-OE1 3.31Å; R240-E342 IonicContact CZ-OE2 3.59Å; R240-E342 IonicContact NH1-OE1 3.06Å; R240-E342 PolarHBondContact NH1-OE1 3.25Å; R240-E342 IonicContact NH1-OE2 3.13Å; R240-E342 VanDerWaalsContact NH2-CD 3.29Å; R240-E342 IonicContact NH2-OE1 2.63Å; R240-E342 PolarHBondContact NH2-OE1 2.76Å; R240-E342 IonicContact NH2-OE2 2.7Å; R240-E342 PolarHBondContact NH2-OE2 2.94Å; R240-E344 IonicContact CZ-OE2 2.72Å; R240-E344 VanDerWaalsContact CZ-OE2 3.31Å; R240-E344 IonicContact NE-OE2 2.81Å; R240-E344 PolarHBondContact NE-OE2 3.3Å; R240-E344 IonicContact NH2-OE2 3.19Å; R240-E344 PolarHBondContact NH2-OE2 2.93Å; R240-Q348 PolarHBondContact O-NE2 3.14Å
241S90.6Very high95.6Very high119 Ų11959.7 Ų59.783%0.83233%0.325SS*.G310 helixtrans-64.6-19.4-179.2-45.60000113.9N239N239-S241 WeakPolarHBondContact OD1-CB 3.37Å; N239-S241 PolarHBondContact OD1-N 3.48Å; N239-S241 VanDerWaalsContact OD1-N 3.09Å
242L91.4Very high95.7Very high118 Ų11856.9 Ų56.962%0.61831%0.307SS*.G310 helixtrans-1076.1173.9-61.4179.9000113N239 R240 L244N239-L242 HydrophobicContact CB-CB 4.36Å; N239-L242 PolarHBondContact O-N 3.02Å; N239-L242 PolarHBondContact OD1-N 3.43Å; N239-L242 VanDerWaalsContact OD1-N 3.11Å; R240-L242 PolarHBondContact O-N 3Å; L242-L244 HydrophobicContact CB-CD1 3.95Å; L242-L244 HydrophobicContact CB-CG 3.79Å; L242-L244 HydrophobicContact CD1-CD1 4.02Å; L242-L244 PolarHBondContact O-N 3.46Å; L242-L244 VanDerWaalsContact O-N 3.16Å
243G90.4Very high95.8Very high32 Ų3262.2 Ų62.233%0.3333%0.327SS..THydrogen-bonded Turntrans62.216.9-175.400000114.7N239 R240 V245N239-G243 PolarHBondContact O-N 3.47Å; R240-G243 PolarHBondContact O-N 3.42Å; G243-V245 PolarHBondContact O-N 3.17Å
244L95.7Very high95.9Very high96 Ų9661.3 Ų61.350%0.50332%0.323SS..EExtended strand (participates in β ladder)trans-80.186.6-172.2-66.1178.5000111.2F237 K238 N239 L242F237-L244 CarbonylContact C-O 3.51Å; F237-L244 WeakPolarHBondContact CA-O 3.16Å; K238-L244 PolarHBondContact N-O 3.11Å; N239-L244 HydrophobicContact CB-CB 4.31Å; N239-L244 HydrophobicContact CB-CD1 4.35Å; N239-L244 PolarHBondContact N-O 3.26Å; N239-L244 PolarHBondContact O-N 2.73Å; L242-L244 HydrophobicContact CB-CD1 3.95Å; L242-L244 HydrophobicContact CB-CG 3.79Å; L242-L244 HydrophobicContact CD1-CD1 4.02Å; L242-L244 PolarHBondContact O-N 3.46Å; L242-L244 VanDerWaalsContact O-N 3.16Å
245V97.9Very high96Very high15 Ų1555.2 Ų55.29%0.09130%0.295CS..EExtended strand (participates in β ladder)trans-57.6135.9177.1179.60000111.8A236 F237 G243 T247 I252 L349 F352A236-V245 CarbonylContact O-C 3.23Å; A236-V245 VanDerWaalsContact O-CA 3.31Å; A236-V245 WeakPolarHBondContact O-CA 3.32Å; A236-V245 WeakPolarHBondContact O-CG1 3.44Å; F237-V245 HydrophobicContact CD1-CB 4.48Å; F237-V245 HydrophobicContact CD1-CG2 3.91Å; F237-V245 HydrophobicContact CE1-CG2 3.63Å; G243-V245 PolarHBondContact O-N 3.17Å; V245-T247 PolarHBondContact O-N 3.3Å; V245-I252 HydrophobicContact CG1-CB 4.43Å; V245-I252 HydrophobicContact CG1-CD1 4.19Å; V245-I252 HydrophobicContact CG1-CG1 3.93Å; V245-I252 HydrophobicContact CG1-CG2 3.72Å; V245-L349 HydrophobicContact CG1-CD2 3.89Å; V245-L349 HydrophobicContact CG2-CD2 3.77Å; V245-F352 HydrophobicContact CB-CD2 3.85Å; V245-F352 HydrophobicContact CB-CE2 4.13Å; V245-F352 HydrophobicContact CB-CG 4.09Å; V245-F352 HydrophobicContact CG1-CD1 4.09Å; V245-F352 HydrophobicContact CG1-CD2 4.19Å; V245-F352 HydrophobicContact CG1-CE1 4.11Å; V245-F352 HydrophobicContact CG1-CE2 4.2Å; V245-F352 HydrophobicContact CG1-CG 4.15Å; V245-F352 HydrophobicContact CG1-CZ 4.17Å; V245-F352 HydrophobicContact CG2-CB 3.86Å; V245-F352 HydrophobicContact CG2-CD1 4.38Å; V245-F352 HydrophobicContact CG2-CD2 3.89Å; V245-F352 HydrophobicContact CG2-CG 3.76Å
246D98.1Very high96.1Very high22 Ų2253.5 Ų53.512%0.11829%0.286CS..  trans-8198170.9-175.732.3000112.2A236 K238 S248 W249 I252A236-D246 PolarHBondContact O-N 3.07Å; K238-D246 WeakPolarHBondContact CE-OD1 3.44Å; K238-D246 HydrophobicContact CG-CB 3.8Å; K238-D246 IonicContact NZ-OD1 3.6Å; D246-S248 VanDerWaalsContact CG-OG 3.29Å; D246-S248 PolarHBondContact O-N 3.17Å; D246-S248 WeakPolarHBondContact OD1-CB 3.22Å; D246-S248 PolarHBondContact OD1-N 2.68Å; D246-S248 PolarHBondContact OD1-OG 3.14Å; D246-S248 VanDerWaalsContact OD1-OG 3.13Å; D246-S248 WeakPolarHBondContact OD2-CB 3.35Å; D246-S248 PolarHBondContact OD2-OG 3.02Å; D246-W249 PolarHBondContact O-N 3.06Å; D246-W249 PolarHBondContact OD2-N 3.01Å; D246-I252 WeakPolarHBondContact O-CB 3.49Å; D246-I252 WeakPolarHBondContact O-CG1 3.44Å
247T97.7Very high96.1Very high61 Ų6153.6 Ų53.637%0.37429%0.286SS..THydrogen-bonded Turntrans-69.7-10.5172.162.80000113.9V245 R253 M256 F352V245-T247 PolarHBondContact O-N 3.3Å; T247-R253 WeakPolarHBondContact O-CB 3.45Å; T247-R253 WeakPolarHBondContact O-CD 3.37Å; T247-M256 HydrophobicContact CG2-CE 4.42Å; T247-M256 HydrophobicContact CG2-SD 4.48Å; T247-F352 HydrophobicContact CG2-CE2 3.73Å; T247-F352 HydrophobicContact CG2-CZ 3.61Å
248S97.1Very high96.2Very high79 Ų7953 Ų5355%0.55228%0.284SS*.THydrogen-bonded Turntrans-74-36.3173.7100.30000111.8D246 N250D246-S248 VanDerWaalsContact CG-OG 3.29Å; D246-S248 PolarHBondContact O-N 3.17Å; D246-S248 WeakPolarHBondContact OD1-CB 3.22Å; D246-S248 PolarHBondContact OD1-N 2.68Å; D246-S248 PolarHBondContact OD1-OG 3.14Å; D246-S248 VanDerWaalsContact OD1-OG 3.13Å; D246-S248 WeakPolarHBondContact OD2-CB 3.35Å; D246-S248 PolarHBondContact OD2-OG 3.02Å; S248-N250 PolarHBondContact O-N 3.25Å
249W97.9Very high96.3Very high51 Ų5149.6 Ų49.619%0.19327%0.272CS..SBendtrans-62.2122179.7-173.145.1000111Y219 F232 L235 A236 D246 A251 I252 R253Y219-W249 HydrophobicContact CD2-CH2 4.03Å; Y219-W249 HydrophobicContact CD2-CZ2 4.08Å; Y219-W249 HydrophobicContact CG-CH2 4.38Å; F232-W249 AromaticContact CD2-CH2 3.68Å; F232-W249 HydrophobicContact CD2-CH2 3.68Å; F232-W249 AromaticContact CD2-CZ3 3.96Å; F232-W249 HydrophobicContact CD2-CZ3 3.96Å; F232-W249 AromaticContact CE2-CH2 3.89Å; F232-W249 HydrophobicContact CE2-CH2 3.89Å; F232-W249 AromaticContact CE2-CZ3 3.83Å; F232-W249 HydrophobicContact CE2-CZ3 3.83Å; L235-W249 VanDerWaalsContact C-CE3 3.44Å; L235-W249 HydrophobicContact CB-CD2 3.85Å; L235-W249 HydrophobicContact CB-CE3 3.85Å; L235-W249 HydrophobicContact CB-CH2 3.64Å; L235-W249 HydrophobicContact CB-CZ2 3.64Å; L235-W249 HydrophobicContact CB-CZ3 3.75Å; L235-W249 HydrophobicContact CD1-CH2 4.2Å; L235-W249 HydrophobicContact CD1-CZ2 3.66Å; L235-W249 HydrophobicContact CG-CZ2 4.29Å; A236-W249 HydrophobicContact CB-CZ3 4.18Å; D246-W249 PolarHBondContact O-N 3.06Å; D246-W249 PolarHBondContact OD2-N 3.01Å; W249-A251 HydrophobicContact CD2-CB 3.6Å; W249-A251 VanDerWaalsContact CE2-CB 3.46Å; W249-A251 HydrophobicContact CE3-CB 3.73Å; W249-A251 HydrophobicContact CG-CB 4.38Å; W249-A251 HydrophobicContact CH2-CB 3.66Å; W249-A251 HydrophobicContact CZ2-CB 3.49Å; W249-A251 VanDerWaalsContact CZ2-CB 3.49Å; W249-A251 HydrophobicContact CZ3-CB 3.77Å; W249-A251 PolarHBondContact O-N 2.97Å; W249-I252 HydrophobicContact CE3-CD1 4.25Å; W249-I252 HydrophobicContact CE3-CG1 3.92Å; W249-I252 PolarHBondContact O-N 2.66Å; W249-R253 PolarHBondContact O-N 3.05Å
250N96.6Very high96.6Very high85 Ų8547.7 Ų47.746%0.45526%0.261SS..Hα-helixtrans-61.9-17.4-177-75.8-44.9000113.7S248 R253 I254S248-N250 PolarHBondContact O-N 3.25Å; N250-R253 PolarHBondContact OD1-NE 2.58Å; N250-R253 PolarHBondContact OD1-NH2 3.43Å; N250-I254 VanDerWaalsContact O-CD1 3.25Å; N250-I254 WeakPolarHBondContact O-CD1 3.35Å; N250-I254 WeakPolarHBondContact O-CG1 3.5Å; N250-I254 PolarHBondContact O-N 3.2Å
251A97.4Very high97Very high7 Ų744.1 Ų44.16%0.05825%0.248CC..Hα-helixtrans-74.7-29.2172.300000112.6R214 A215 D218 W249R214-A251 PolarHBondContact NH2-O 3.46Å; A215-A251 VanDerWaalsContact CB-O 3.22Å; A215-A251 WeakPolarHBondContact CB-O 3.23Å; D218-A251 HydrophobicContact CB-CB 4.43Å; W249-A251 HydrophobicContact CD2-CB 3.6Å; W249-A251 VanDerWaalsContact CE2-CB 3.46Å; W249-A251 HydrophobicContact CE3-CB 3.73Å; W249-A251 HydrophobicContact CG-CB 4.38Å; W249-A251 HydrophobicContact CH2-CB 3.66Å; W249-A251 HydrophobicContact CZ2-CB 3.49Å; W249-A251 VanDerWaalsContact CZ2-CB 3.49Å; W249-A251 HydrophobicContact CZ3-CB 3.77Å; W249-A251 PolarHBondContact O-N 2.97Å
252I98.5Very high97.4Very high0 Ų041.8 Ų41.80%022%0.224CC..Hα-helixtrans-78.1-54.1167.4-57.2-53.4000110.3A236 V245 D246 W249 I254 G255 L349 F352 Y353A236-I252 HydrophobicContact CB-CD1 4.41Å; V245-I252 HydrophobicContact CG1-CB 4.43Å; V245-I252 HydrophobicContact CG1-CD1 4.19Å; V245-I252 HydrophobicContact CG1-CG1 3.93Å; V245-I252 HydrophobicContact CG1-CG2 3.72Å; D246-I252 WeakPolarHBondContact O-CB 3.49Å; D246-I252 WeakPolarHBondContact O-CG1 3.44Å; W249-I252 HydrophobicContact CE3-CD1 4.25Å; W249-I252 HydrophobicContact CE3-CG1 3.92Å; W249-I252 PolarHBondContact O-N 2.66Å; I252-I254 PolarHBondContact O-N 3.36Å; I252-G255 WeakPolarHBondContact O-CA 3.32Å; I252-G255 PolarHBondContact O-N 3.32Å; I252-L349 HydrophobicContact CD1-CD2 3.82Å; I252-F352 HydrophobicContact CG2-CD1 4.47Å; I252-F352 HydrophobicContact CG2-CE1 3.59Å; I252-F352 HydrophobicContact CG2-CZ 3.98Å; I252-Y353 WeakPolarHBondContact CA-OH 2.9Å; I252-Y353 HydrophobicContact CG2-CE1 4.49Å; I252-Y353 PolarHBondContact O-OH 3.03Å; I252-Y353 VanDerWaalsContact O-OH 3.13Å
253R98.4Very high97.7Very high113 Ų11337.8 Ų37.843%0.42620%0.203SC..Hα-helixtrans-57.7-31.4-168.3-160.2165.761.6107.21.8114.8T247 W249 N250 G255 M256 H260T247-R253 WeakPolarHBondContact O-CB 3.45Å; T247-R253 WeakPolarHBondContact O-CD 3.37Å; W249-R253 PolarHBondContact O-N 3.05Å; N250-R253 PolarHBondContact OD1-NE 2.58Å; N250-R253 PolarHBondContact OD1-NH2 3.43Å; R253-G255 VanDerWaalsContact C-N 3.29Å; R253-G255 PolarHBondContact O-N 2.9Å; R253-M256 HydrophobicContact CB-CE 4.37Å; R253-M256 HydrophobicContact CG-CE 3.87Å; R253-H260 PolarHBondContact O-NE2 3.13Å
254I98.6Very high98.1Very high11 Ų1136.3 Ų36.36%0.05619%0.187CC..THydrogen-bonded Turntrans-69.4-24.4176-66.2170.9000112.5K127 V187 N250 I252 Y257K127-I254 HydrophobicContact CB-CD1 4.41Å; K127-I254 HydrophobicContact CB-CG2 4.41Å; K127-I254 HydrophobicContact CD-CD1 3.71Å; V187-I254 HydrophobicContact CG1-CG1 4.15Å; V187-I254 HydrophobicContact CG1-CG2 4.34Å; V187-I254 HydrophobicContact CG2-CG1 4.37Å; N250-I254 VanDerWaalsContact O-CD1 3.25Å; N250-I254 WeakPolarHBondContact O-CD1 3.35Å; N250-I254 WeakPolarHBondContact O-CG1 3.5Å; N250-I254 PolarHBondContact O-N 3.2Å; I252-I254 PolarHBondContact O-N 3.36Å; I254-Y257 VanDerWaalsContact O-CD1 3.26Å; I254-Y257 WeakPolarHBondContact O-CD1 2.98Å; I254-Y257 WeakPolarHBondContact O-CE1 3.43Å
255G98.6Very high98.3Very high0 Ų034.8 Ų34.80%018%0.18CC..THydrogen-bonded Turntrans-77.7-19.8179.900000115I252 R253 Y257I252-G255 WeakPolarHBondContact O-CA 3.32Å; I252-G255 PolarHBondContact O-N 3.32Å; R253-G255 VanDerWaalsContact C-N 3.29Å; R253-G255 PolarHBondContact O-N 2.9Å; G255-Y257 PolarHBondContact O-N 3.36Å
256M98.7Very high98.3Very high11 Ų1140.1 Ų40.15%0.05420%0.203CC..  trans-77.265.1177.9-60.3-170-7300111T247 R253 I258 L259 H260 F352 Y353 F356T247-M256 HydrophobicContact CG2-CE 4.42Å; T247-M256 HydrophobicContact CG2-SD 4.48Å; R253-M256 HydrophobicContact CB-CE 4.37Å; R253-M256 HydrophobicContact CG-CE 3.87Å; M256-I258 VanDerWaalsContact C-N 3.3Å; M256-I258 PolarHBondContact O-N 2.82Å; M256-I258 VanDerWaalsContact O-N 3.16Å; M256-L259 HydrophobicContact CB-CD1 3.82Å; M256-L259 HydrophobicContact CB-CG 4.18Å; M256-L259 HydrophobicContact CE-CD1 3.81Å; M256-L259 HydrophobicContact CG-CD1 4.43Å; M256-L259 PolarHBondContact O-N 3.49Å; M256-L259 VanDerWaalsContact O-N 3.17Å; M256-L259 HydrophobicContact SD-CD1 3.77Å; M256-H260 PolarHBondContact O-CD2 3.05Å; M256-H260 VanDerWaalsContact O-CD2 3.27Å; M256-F352 HydrophobicContact CG-CE1 4.29Å; M256-F352 HydrophobicContact CG-CZ 4.33Å; M256-F352 HydrophobicContact SD-CE1 4.31Å; M256-F352 HydrophobicContact SD-CZ 3.76Å; M256-Y353 HydrophobicContact CG-CD1 4.45Å; M256-Y353 HydrophobicContact CG-CE1 4.14Å; M256-F356 HydrophobicContact CB-CD1 4.3Å; M256-F356 HydrophobicContact CB-CG 4.41Å; M256-F356 HydrophobicContact CG-CD1 4.43Å; M256-F356 HydrophobicContact CG-CD2 4.29Å; M256-F356 HydrophobicContact CG-CE2 4.37Å; M256-F356 HydrophobicContact CG-CG 4.32Å; M256-F356 HydrophobicContact CG-CZ 4.49Å; M256-F356 HydrophobicContact SD-CD1 4.42Å; M256-F356 HydrophobicContact SD-CD2 4.44Å; M256-F356 HydrophobicContact SD-CE1 3.93Å; M256-F356 HydrophobicContact SD-CE2 3.95Å; M256-F356 HydrophobicContact SD-CZ 3.67Å
257Y98.9Very high98.3Very high2 Ų243.3 Ų43.31%0.00821%0.214CC..Hα-helixtrans-57.3-35.6-163.7-58.8-41.3000114.9V126 F186 V208 R209 P211 R214 I254 G255 L259 H260 L261 W370V126-Y257 HydrophobicContact CB-CE1 4.17Å; V126-Y257 HydrophobicContact CG1-CD1 3.99Å; V126-Y257 HydrophobicContact CG1-CE1 3.78Å; V126-Y257 HydrophobicContact CG2-CE1 3.84Å; F186-Y257 HydrophobicContact CE1-CD1 4.18Å; V208-Y257 HydrophobicContact CB-CD2 4.47Å; V208-Y257 HydrophobicContact CB-CE2 4.13Å; V208-Y257 HydrophobicContact CG1-CD2 4.19Å; V208-Y257 HydrophobicContact CG1-CE2 4.26Å; V208-Y257 HydrophobicContact CG1-CG 4.47Å; R209-Y257 VanDerWaalsContact O-CE2 3.26Å; R209-Y257 WeakPolarHBondContact O-CE2 3.28Å; R209-Y257 PolarHBondContact O-OH 3.1Å; P211-Y257 HydrophobicContact CG-CD2 4.4Å; P211-Y257 HydrophobicContact CG-CE2 3.83Å; R214-Y257 VanDerWaalsContact CD-OH 3.28Å; R214-Y257 WeakPolarHBondContact CD-OH 3.43Å; I254-Y257 VanDerWaalsContact O-CD1 3.26Å; I254-Y257 WeakPolarHBondContact O-CD1 2.98Å; I254-Y257 WeakPolarHBondContact O-CE1 3.43Å; G255-Y257 PolarHBondContact O-N 3.36Å; Y257-L259 PolarHBondContact O-N 3.17Å; Y257-H260 PolarHBondContact O-N 3.2Å; Y257-L261 WeakPolarHBondContact O-CB 3.44Å; Y257-L261 PolarHBondContact O-N 3.09Å; Y257-W370 AromaticContact CD2-CH2 3.74Å; Y257-W370 HydrophobicContact CD2-CH2 3.74Å; Y257-W370 AromaticContact CD2-CZ3 3.71Å; Y257-W370 HydrophobicContact CD2-CZ3 3.71Å; Y257-W370 AromaticContact CE2-CH2 3.5Å; Y257-W370 HydrophobicContact CE2-CH2 3.5Å; Y257-W370 HydrophobicContact CE2-CZ2 4.32Å; Y257-W370 AromaticContact CE2-CZ3 3.64Å; Y257-W370 HydrophobicContact CE2-CZ3 3.64Å
258I98.8Very high98.4Very high2 Ų240.7 Ų40.71%0.0120%0.198CC..Hα-helixtrans-60.6-40.8179.8-174.456.4000112.8M256 H260 L261 E262 F356 K359 F360 T363M256-I258 VanDerWaalsContact C-N 3.3Å; M256-I258 PolarHBondContact O-N 2.82Å; M256-I258 VanDerWaalsContact O-N 3.16Å; I258-H260 PolarHBondContact O-N 3.24Å; I258-L261 HydrophobicContact CD1-CD2 4.28Å; I258-L261 PolarHBondContact O-N 2.91Å; I258-L261 VanDerWaalsContact O-N 3.1Å; I258-E262 HydrophobicContact CD1-CG 4.2Å; I258-E262 HydrophobicContact CG1-CG 4.38Å; I258-E262 WeakPolarHBondContact O-CG 3.41Å; I258-E262 PolarHBondContact O-N 2.93Å; I258-F356 HydrophobicContact CG2-CB 4.06Å; I258-F356 HydrophobicContact CG2-CD1 3.97Å; I258-K359 HydrophobicContact CD1-CG 4.43Å; I258-K359 HydrophobicContact CG1-CB 4.31Å; I258-K359 HydrophobicContact CG1-CD 3.86Å; I258-K359 HydrophobicContact CG1-CG 3.94Å; I258-F360 HydrophobicContact CB-CB 4.19Å; I258-T363 HydrophobicContact CD1-CG2 3.92Å; I258-T363 WeakPolarHBondContact CD1-OG1 3.09Å
259L98.4Very high98.4Very high80 Ų8044.3 Ų44.342%0.41920%0.199SC..Hα-helixtrans-64.1-27.8-179.4-56.3-178.6000112.6M256 Y257 F356M256-L259 HydrophobicContact CB-CD1 3.82Å; M256-L259 HydrophobicContact CB-CG 4.18Å; M256-L259 HydrophobicContact CE-CD1 3.81Å; M256-L259 HydrophobicContact CG-CD1 4.43Å; M256-L259 PolarHBondContact O-N 3.49Å; M256-L259 VanDerWaalsContact O-N 3.17Å; M256-L259 HydrophobicContact SD-CD1 3.77Å; Y257-L259 PolarHBondContact O-N 3.17Å; L259-F356 HydrophobicContact CD1-CD1 4.38Å; L259-F356 HydrophobicContact CD1-CE1 3.96Å; L259-F356 HydrophobicContact CD2-CD1 4.47Å; L259-F356 HydrophobicContact CD2-CE1 4.29Å; L259-F356 HydrophobicContact CG-CD1 4.25Å; L259-F356 HydrophobicContact CG-CE1 4.22Å
260H98.8Very high98.4Very high23 Ų2345 Ų4511%0.10621%0.207CC..Hα-helixtrans-82.6-42.8173.4-57.7-71.9000110.6F186 R253 M256 Y257 I258 E262 N263 W264F186-H260 HydrophobicContact CD1-CB 3.94Å; F186-H260 HydrophobicContact CE1-CB 3.51Å; F186-H260 HydrophobicContact CZ-CB 3.84Å; R253-H260 PolarHBondContact O-NE2 3.13Å; M256-H260 PolarHBondContact O-CD2 3.05Å; M256-H260 VanDerWaalsContact O-CD2 3.27Å; Y257-H260 PolarHBondContact O-N 3.2Å; I258-H260 PolarHBondContact O-N 3.24Å; H260-E262 VanDerWaalsContact C-N 3.29Å; H260-E262 PolarHBondContact O-N 2.93Å; H260-N263 WeakPolarHBondContact O-CB 3.35Å; H260-N263 PolarHBondContact O-N 3.43Å; H260-W264 VanDerWaalsContact O-CD1 3.25Å; H260-W264 PolarHBondContact O-N 3.45Å
261L98.9Very high98.5Very high0 Ų045.5 Ų45.50%022%0.216CC..Hα-helixtrans-58.6-38.1178.4179.659.8000112.5Y257 I258 N263 W264 L265 M273 F275 F360 T363 V364Y257-L261 WeakPolarHBondContact O-CB 3.44Å; Y257-L261 PolarHBondContact O-N 3.09Å; I258-L261 HydrophobicContact CD1-CD2 4.28Å; I258-L261 PolarHBondContact O-N 2.91Å; I258-L261 VanDerWaalsContact O-N 3.1Å; L261-N263 PolarHBondContact O-N 3.16Å; L261-W264 HydrophobicContact CD1-CB 4.41Å; L261-W264 WeakPolarHBondContact O-CA 3.49Å; L261-W264 WeakPolarHBondContact O-CB 3.49Å; L261-W264 PolarHBondContact O-N 2.94Å; L261-L265 HydrophobicContact CD1-CD1 4.21Å; L261-L265 HydrophobicContact CD1-CD2 4.23Å; L261-L265 HydrophobicContact CD1-CG 3.91Å; L261-L265 HydrophobicContact CD2-CD1 4.35Å; L261-L265 HydrophobicContact CG-CD1 3.85Å; L261-L265 HydrophobicContact CG-CG 4.04Å; L261-L265 WeakPolarHBondContact O-CG 3.01Å; L261-L265 PolarHBondContact O-N 3.18Å; L261-M273 HydrophobicContact CD1-CE 3.87Å; L261-M273 HydrophobicContact CD1-SD 3.82Å; L261-F275 HydrophobicContact CD1-CE1 4.21Å; L261-F275 HydrophobicContact CD1-CZ 3.74Å; L261-F275 HydrophobicContact CD2-CZ 4.31Å; L261-F360 HydrophobicContact CD2-CD2 3.97Å; L261-F360 HydrophobicContact CD2-CE2 3.97Å; L261-T363 HydrophobicContact CD2-CG2 3.71Å; L261-T363 HydrophobicContact CG-CG2 4.47Å; L261-V364 HydrophobicContact CD2-CG1 3.51Å
262E98.6Very high98.6Very high70 Ų7046 Ų4633%0.32722%0.217SC..Hα-helixtrans-57.9-26.3173.8-73.8167.9168.800113.2I258 H260 Q266 K359I258-E262 HydrophobicContact CD1-CG 4.2Å; I258-E262 HydrophobicContact CG1-CG 4.38Å; I258-E262 WeakPolarHBondContact O-CG 3.41Å; I258-E262 PolarHBondContact O-N 2.93Å; H260-E262 VanDerWaalsContact C-N 3.29Å; H260-E262 PolarHBondContact O-N 2.93Å; E262-Q266 PolarHBondContact O-NE2 2.9Å; E262-K359 IonicContact OE1-NZ 3.81Å; E262-K359 PolarHBondContact OE1-NZ 3.07Å
263N98.6Very high98.6Very high34 Ų3446.5 Ų46.518%0.18222%0.22CC..Hα-helixtrans-82.9-25.9172.2-169.464.1000113R189 H260 L261 Y267R189-N263 PolarHBondContact O-ND2 3.35Å; H260-N263 WeakPolarHBondContact O-CB 3.35Å; H260-N263 PolarHBondContact O-N 3.43Å; L261-N263 PolarHBondContact O-N 3.16Å; N263-Y267 WeakPolarHBondContact O-CD2 3.24Å
264W98.8Very high98.6Very high0 Ų042.2 Ų42.20%021%0.205CC..Hα-helixtrans-77-41173.8-73.890.5000112.5V124 Y185 F186 A191 P192 I195 L204 H260 L261 Q266 Y267 F268 M273V124-W264 HydrophobicContact CB-CH2 3.87Å; V124-W264 HydrophobicContact CB-CZ2 4.03Å; V124-W264 HydrophobicContact CG1-CH2 3.73Å; V124-W264 HydrophobicContact CG1-CZ2 4.4Å; V124-W264 HydrophobicContact CG1-CZ3 4.28Å; V124-W264 HydrophobicContact CG2-CH2 4.05Å; V124-W264 HydrophobicContact CG2-CZ2 4.01Å; Y185-W264 WeakPolarHBondContact O-CZ2 3.39Å; F186-W264 AromaticContact CD2-CD1 3.85Å; F186-W264 AromaticContact CD2-NE1 3.44Å; F186-W264 AromaticContact CE2-CD1 3.88Å; F186-W264 AromaticContact CE2-NE1 3.96Å; F186-W264 PolarHBondContact O-NE1 3.11Å; A191-W264 HydrophobicContact CB-CH2 4.42Å; A191-W264 HydrophobicContact CB-CZ2 4.47Å; P192-W264 HydrophobicContact CB-CD2 4.11Å; P192-W264 HydrophobicContact CB-CE3 3.85Å; P192-W264 HydrophobicContact CB-CZ3 4.21Å; P192-W264 HydrophobicContact CG-CD2 3.59Å; P192-W264 HydrophobicContact CG-CE3 3.79Å; P192-W264 HydrophobicContact CG-CG 3.97Å; P192-W264 HydrophobicContact CG-CH2 4.31Å; P192-W264 HydrophobicContact CG-CZ2 4.1Å; P192-W264 HydrophobicContact CG-CZ3 4.16Å; I195-W264 HydrophobicContact CD1-CH2 3.53Å; I195-W264 HydrophobicContact CD1-CZ3 3.81Å; L204-W264 HydrophobicContact CD1-CD2 4.43Å; L204-W264 HydrophobicContact CD1-CE3 3.36Å; L204-W264 HydrophobicContact CD1-CZ3 3.47Å; L204-W264 VanDerWaalsContact CD1-CZ3 3.47Å; L204-W264 HydrophobicContact CD2-CZ3 4.19Å; L204-W264 HydrophobicContact CG-CZ3 4.47Å; H260-W264 VanDerWaalsContact O-CD1 3.25Å; H260-W264 PolarHBondContact O-N 3.45Å; L261-W264 HydrophobicContact CD1-CB 4.41Å; L261-W264 WeakPolarHBondContact O-CA 3.49Å; L261-W264 WeakPolarHBondContact O-CB 3.49Å; L261-W264 PolarHBondContact O-N 2.94Å; W264-Q266 PolarHBondContact O-N 2.9Å; W264-Y267 PolarHBondContact O-N 3.41Å; W264-F268 AromaticContact CE3-CD2 3.84Å; W264-F268 HydrophobicContact CE3-CD2 3.84Å; W264-F268 AromaticContact CE3-CE2 3.99Å; W264-F268 HydrophobicContact CE3-CE2 3.99Å; W264-F268 HydrophobicContact CZ3-CD2 4.32Å; W264-F268 HydrophobicContact CZ3-CE2 4.02Å; W264-F268 PolarHBondContact O-N 3.07Å; W264-M273 HydrophobicContact CB-CE 3.82Å; W264-M273 HydrophobicContact CB-SD 4.08Å; W264-M273 HydrophobicContact CD2-CE 4.29Å; W264-M273 HydrophobicContact CG-CE 3.99Å
265L98.6Very high98.6Very high65 Ų6542.1 Ų42.134%0.3420%0.204SC..THydrogen-bonded Turntrans-67.5-13.9-176.9-67.4175.4000114L261 Y267 L270 M273 T363L261-L265 HydrophobicContact CD1-CD1 4.21Å; L261-L265 HydrophobicContact CD1-CD2 4.23Å; L261-L265 HydrophobicContact CD1-CG 3.91Å; L261-L265 HydrophobicContact CD2-CD1 4.35Å; L261-L265 HydrophobicContact CG-CD1 3.85Å; L261-L265 HydrophobicContact CG-CG 4.04Å; L261-L265 WeakPolarHBondContact O-CG 3.01Å; L261-L265 PolarHBondContact O-N 3.18Å; L265-Y267 PolarHBondContact O-N 2.85Å; L265-L270 HydrophobicContact CD2-CB 4.3Å; L265-L270 HydrophobicContact CD2-CD1 4.17Å; L265-M273 HydrophobicContact CD2-SD 4.28Å; L265-T363 HydrophobicContact CD1-CG2 3.7Å
266Q98.4Very high98.6Very high126 Ų12642.1 Ų42.159%0.58920%0.204SC*.THydrogen-bonded Turntrans-69.1-19.3168.7-72.3167.455.200113.4E262 W264E262-Q266 PolarHBondContact O-NE2 2.9Å; W264-Q266 PolarHBondContact O-N 2.9Å
267Y98.6Very high98.6Very high90 Ų9042.1 Ų42.135%0.35321%0.205SC..THydrogen-bonded Turntrans-128.9-14.5-173.2-58.4-86.3000114.3P192 H193 S196 N263 W264 L265P192-Y267 HydrophobicContact CB-CD2 3.59Å; P192-Y267 HydrophobicContact CB-CE2 4.34Å; P192-Y267 HydrophobicContact CB-CG 4.1Å; H193-Y267 HydrophobicContact CB-CD1 4.1Å; H193-Y267 HydrophobicContact CB-CE1 3.64Å; H193-Y267 HydrophobicContact CB-CE2 4.36Å; H193-Y267 AromaticContact ND1-CE1 3.66Å; S196-Y267 PolarHBondContact OG-O 3.26Å; N263-Y267 WeakPolarHBondContact O-CD2 3.24Å; W264-Y267 PolarHBondContact O-N 3.41Å; L265-Y267 PolarHBondContact O-N 2.85Å
268F98.6Very high98.6Very high6 Ų642.2 Ų42.23%0.02621%0.206CC..SBendtrans-134.5136.2-178.5-68.1-85.3000111.6P192 I195 L204 W264 M273P192-F268 HydrophobicContact CB-CE2 4.35Å; P192-F268 WeakPolarHBondContact O-CE2 3.38Å; I195-F268 HydrophobicContact CB-CE2 4.44Å; I195-F268 HydrophobicContact CB-CZ 4.03Å; I195-F268 HydrophobicContact CG2-CE1 4.45Å; I195-F268 HydrophobicContact CG2-CE2 4.47Å; I195-F268 HydrophobicContact CG2-CZ 3.68Å; L204-F268 HydrophobicContact CD1-CB 4.18Å; L204-F268 HydrophobicContact CD1-CD1 3.76Å; L204-F268 HydrophobicContact CD1-CD2 3.67Å; L204-F268 HydrophobicContact CD1-CE1 4.06Å; L204-F268 HydrophobicContact CD1-CE2 3.96Å; L204-F268 HydrophobicContact CD1-CG 3.56Å; L204-F268 HydrophobicContact CD1-CZ 4.16Å; L204-F268 HydrophobicContact CD2-CE1 4.44Å; L204-F268 HydrophobicContact CG-CD1 4.24Å; L204-F268 HydrophobicContact CG-CE1 4.34Å; W264-F268 AromaticContact CE3-CD2 3.84Å; W264-F268 HydrophobicContact CE3-CD2 3.84Å; W264-F268 AromaticContact CE3-CE2 3.99Å; W264-F268 HydrophobicContact CE3-CE2 3.99Å; W264-F268 HydrophobicContact CZ3-CD2 4.32Å; W264-F268 HydrophobicContact CZ3-CE2 4.02Å; W264-F268 PolarHBondContact O-N 3.07Å; F268-M273 HydrophobicContact CB-CG 4.49Å; F268-M273 HydrophobicContact CB-SD 4.48Å
269R98.3Very high98.5Very high155 Ų15544.8 Ų44.859%0.58522%0.218SC*.  trans-67.6144.7167.6-65.1171.6-68.8-176.7-3.9109.5S271 Q272R269-S271 PolarHBondContact O-N 2.98Å; R269-S271 VanDerWaalsContact O-N 3.14Å; R269-Q272 VanDerWaalsContact CZ-OE1 3.27Å; R269-Q272 WeakPolarHBondContact O-CB 3.4Å; R269-Q272 PolarHBondContact O-N 2.65Å
270L98.1Very high98.5Very high66 Ų6646.1 Ų46.135%0.34622%0.218SC..G310 helixtrans-55.6-33.2176.7-170.572.8000112.4L265 Q272 M273 F275 T363 V364L265-L270 HydrophobicContact CD2-CB 4.3Å; L265-L270 HydrophobicContact CD2-CD1 4.17Å; L270-Q272 PolarHBondContact O-N 3.21Å; L270-Q272 VanDerWaalsContact O-N 3.16Å; L270-M273 PolarHBondContact O-N 3.32Å; L270-M273 VanDerWaalsContact O-O 3.05Å; L270-F275 HydrophobicContact CD1-CE2 3.78Å; L270-F275 HydrophobicContact CD1-CZ 4.3Å; L270-T363 WeakPolarHBondContact CD2-O 3.14Å; L270-V364 HydrophobicContact CD1-CG1 4.3Å
271S98.1Very high98.4Very high94 Ų9445.3 Ų45.366%0.65721%0.214SC*.G310 helixtrans-65-12.517555.40000115R269R269-S271 PolarHBondContact O-N 2.98Å; R269-S271 VanDerWaalsContact O-N 3.14Å
272Q98.5Very high98.2Very high17 Ų1747.6 Ų47.68%0.07923%0.226CC..G310 helixtrans-96.75.8171.1-64.8176.2-119.300112.5H200 T202 L204 R269 L270 F295H200-Q272 PolarHBondContact O-NE2 3.41Å; T202-Q272 PolarHBondContact O-NE2 3.2Å; L204-Q272 PolarHBondContact N-O 2.77Å; R269-Q272 VanDerWaalsContact CZ-OE1 3.27Å; R269-Q272 WeakPolarHBondContact O-CB 3.4Å; R269-Q272 PolarHBondContact O-N 2.65Å; L270-Q272 PolarHBondContact O-N 3.21Å; L270-Q272 VanDerWaalsContact O-N 3.16Å; Q272-F295 WeakPolarHBondContact O-CZ 3.46Å
273M98.8Very high98.1Very high11 Ų1149.9 Ų49.95%0.05425%0.245CC..EExtended strand (participates in β ladder)trans-120.5137.2178.7-54.7-169.273.800110.2L204 V206 L261 W264 L265 F268 L270 F275L204-M273 HydrophobicContact CB-CG 4.27Å; L204-M273 HydrophobicContact CD1-CE 4.14Å; L204-M273 HydrophobicContact CD1-CG 4.16Å; L204-M273 HydrophobicContact CD1-SD 4.5Å; L204-M273 CarbonylContact O-C 3.57Å; L204-M273 WeakPolarHBondContact O-CA 3.42Å; V206-M273 HydrophobicContact CG2-CE 4.03Å; L261-M273 HydrophobicContact CD1-CE 3.87Å; L261-M273 HydrophobicContact CD1-SD 3.82Å; W264-M273 HydrophobicContact CB-CE 3.82Å; W264-M273 HydrophobicContact CB-SD 4.08Å; W264-M273 HydrophobicContact CD2-CE 4.29Å; W264-M273 HydrophobicContact CG-CE 3.99Å; L265-M273 HydrophobicContact CD2-SD 4.28Å; F268-M273 HydrophobicContact CB-CG 4.49Å; F268-M273 HydrophobicContact CB-SD 4.48Å; L270-M273 PolarHBondContact O-N 3.32Å; L270-M273 VanDerWaalsContact O-O 3.05Å; M273-F275 HydrophobicContact CB-CE2 3.71Å; M273-F275 HydrophobicContact CB-CZ 3.85Å; M273-F275 HydrophobicContact CE-CE1 4.45Å; M273-F275 HydrophobicContact CE-CZ 4.02Å; M273-F275 HydrophobicContact SD-CZ 4.24Å
274H98.8Very high98Very high24 Ų2450.6 Ų50.611%0.11125%0.249CC..EExtended strand (participates in β ladder)trans-127.5125175-176.454.3000111.6L204 I205 V206 F295L204-H274 PolarHBondContact O-N 3.41Å; I205-H274 WeakPolarHBondContact CA-O 3.44Å; V206-H274 PolarHBondContact N-O 2.8Å; H274-F295 HydrophobicContact CB-CB 4.22Å; H274-F295 HydrophobicContact CB-CD1 3.43Å; H274-F295 VanDerWaalsContact CB-CD1 3.43Å; H274-F295 HydrophobicContact CB-CD2 3.71Å; H274-F295 HydrophobicContact CB-CE1 3.55Å; H274-F295 HydrophobicContact CB-CE2 3.82Å; H274-F295 HydrophobicContact CB-CG 3.49Å; H274-F295 VanDerWaalsContact CB-CG 3.49Å; H274-F295 HydrophobicContact CB-CZ 3.73Å; H274-F295 AromaticContact CG-CG 3.88Å
275F98.9Very high98Very high9 Ų951.3 Ų51.34%0.03925%0.253CS..EExtended strand (participates in β ladder)trans-102.6104.2-173.6-59.4-86.8000110.2V206 L261 L270 M273 F360 V364 F368V206-F275 HydrophobicContact CB-CD1 3.74Å; V206-F275 HydrophobicContact CB-CE1 3.91Å; V206-F275 HydrophobicContact CG1-CD1 4.25Å; V206-F275 HydrophobicContact CG1-CE1 4.37Å; V206-F275 HydrophobicContact CG2-CD1 4.22Å; V206-F275 HydrophobicContact CG2-CE1 3.89Å; V206-F275 CarbonylContact O-C 3.56Å; V206-F275 VanDerWaalsContact O-CA 3.31Å; V206-F275 WeakPolarHBondContact O-CA 3.36Å; L261-F275 HydrophobicContact CD1-CE1 4.21Å; L261-F275 HydrophobicContact CD1-CZ 3.74Å; L261-F275 HydrophobicContact CD2-CZ 4.31Å; L270-F275 HydrophobicContact CD1-CE2 3.78Å; L270-F275 HydrophobicContact CD1-CZ 4.3Å; M273-F275 HydrophobicContact CB-CE2 3.71Å; M273-F275 HydrophobicContact CB-CZ 3.85Å; M273-F275 HydrophobicContact CE-CE1 4.45Å; M273-F275 HydrophobicContact CE-CZ 4.02Å; M273-F275 HydrophobicContact SD-CZ 4.24Å; F275-F360 HydrophobicContact CD1-CE2 4.09Å; F275-F360 AromaticContact CD1-CZ 3.69Å; F275-F360 HydrophobicContact CD1-CZ 3.69Å; F275-F360 HydrophobicContact CE1-CE2 4.01Å; F275-F360 HydrophobicContact CE1-CZ 4.1Å; F275-F360 HydrophobicContact CG-CZ 4.34Å; F275-V364 HydrophobicContact CD1-CG1 4.27Å; F275-V364 HydrophobicContact CD2-CB 3.87Å; F275-V364 HydrophobicContact CD2-CG1 3.83Å; F275-V364 HydrophobicContact CE1-CG1 4.03Å; F275-V364 HydrophobicContact CE2-CB 3.99Å; F275-V364 HydrophobicContact CE2-CG1 3.58Å; F275-V364 HydrophobicContact CG-CB 4.38Å; F275-V364 HydrophobicContact CG-CG1 4.18Å; F275-V364 HydrophobicContact CZ-CG1 3.69Å; F275-F368 HydrophobicContact CB-CE1 4.46Å; F275-F368 HydrophobicContact CB-CE2 4.47Å; F275-F368 HydrophobicContact CB-CZ 3.65Å
276V98.8Very high98Very high0 Ų049.2 Ų49.20%025%0.246CC..EExtended strand (participates in β ladder)trans-88.8127.6-177.4175.10000108.8V134 I205 V206 V207 V208 G278 L281 E288 V292V134-V276 HydrophobicContact CG2-CG1 4Å; I205-V276 HydrophobicContact CG2-CG2 3.89Å; V206-V276 PolarHBondContact O-N 3.36Å; V207-V276 WeakPolarHBondContact CA-O 3.41Å; V207-V276 HydrophobicContact CB-CB 4.36Å; V207-V276 HydrophobicContact CG1-CB 4.17Å; V207-V276 HydrophobicContact CG1-CG1 4.01Å; V207-V276 HydrophobicContact CG2-CB 4.14Å; V207-V276 HydrophobicContact CG2-CG1 4.45Å; V208-V276 WeakPolarHBondContact CG2-O 3.34Å; V208-V276 PolarHBondContact N-O 2.84Å; V276-G278 PolarHBondContact O-N 3.26Å; V276-L281 HydrophobicContact CG1-CD2 4.46Å; V276-E288 HydrophobicContact CG1-CB 4.38Å; V276-E288 HydrophobicContact CG1-CG 4.32Å; V276-E288 WeakPolarHBondContact CG1-OE2 3.47Å; V276-V292 HydrophobicContact CG2-CG2 3.6Å
277S98.6Very high98Very high10 Ų1044.1 Ų44.17%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-73.9116.9175.3170.50000110.2E279 R280 L281 E288S277-E279 VanDerWaalsContact C-N 3.28Å; S277-E279 PolarHBondContact O-N 2.97Å; S277-E279 PolarHBondContact OG-N 3.03Å; S277-R280 PolarHBondContact O-N 3.11Å; S277-R280 PolarHBondContact OG-N 3.22Å; S277-L281 VanDerWaalsContact O-CB 3.25Å; S277-L281 WeakPolarHBondContact O-CB 3.44Å; S277-L281 PolarHBondContact O-N 2.75Å; S277-E288 PolarHBondContact N-OE2 2.95Å
278G97.9Very high97.9Very high4 Ų439.9 Ų39.94%0.04121%0.21CC..THydrogen-bonded Turntrans-65-31.7175.300000112.9V208 V276 I282V208-G278 VanDerWaalsContact O-CA 3.23Å; V208-G278 WeakPolarHBondContact O-CA 3.32Å; V208-G278 PolarHBondContact O-N 3.45Å; V276-G278 PolarHBondContact O-N 3.26Å; G278-I282 WeakPolarHBondContact O-CD1 3.27Å; G278-I282 WeakPolarHBondContact O-CG1 3.49Å
279E97.5Very high97.9Very high56 Ų5639.6 Ų39.626%0.26221%0.209SC..THydrogen-bonded Turntrans-64.8-53.8171.8-67.566.5-144.400110.7R209 N210 S277 L281 I282 T283 W370R209-E279 WeakPolarHBondContact CA-OE1 3.37Å; R209-E279 WeakPolarHBondContact CG-OE1 3.28Å; N210-E279 PolarHBondContact N-OE1 3.35Å; S277-E279 VanDerWaalsContact C-N 3.28Å; S277-E279 PolarHBondContact O-N 2.97Å; S277-E279 PolarHBondContact OG-N 3.03Å; E279-L281 VanDerWaalsContact C-N 3.28Å; E279-L281 PolarHBondContact O-N 3.42Å; E279-I282 WeakPolarHBondContact O-CB 3.42Å; E279-I282 PolarHBondContact O-N 2.94Å; E279-T283 PolarHBondContact O-N 3.36Å; E279-W370 PolarHBondContact OE2-NE1 3.42Å
280R97.6Very high98Very high108 Ų10832.5 Ų32.541%0.40818%0.184SC..Hα-helixtrans-69.3-26-178.8-167.6172.7168.9173.23.4112.5S277 I282 T283 D284 E288 R291S277-R280 PolarHBondContact O-N 3.11Å; S277-R280 PolarHBondContact OG-N 3.22Å; R280-I282 PolarHBondContact O-N 3.2Å; R280-I282 VanDerWaalsContact O-N 3.17Å; R280-T283 WeakPolarHBondContact CA-OG1 3.48Å; R280-T283 PolarHBondContact O-N 2.87Å; R280-D284 HydrophobicContact CG-CB 3.87Å; R280-D284 IonicContact CZ-OD2 3.91Å; R280-D284 IonicContact NE-OD2 3.13Å; R280-D284 PolarHBondContact NE-OD2 3.14Å; R280-D284 IonicContact NH2-OD2 3.5Å; R280-D284 PolarHBondContact NH2-OD2 3.43Å; R280-D284 CarbonylContact O-C 3.53Å; R280-D284 WeakPolarHBondContact O-CA 3.37Å; R280-D284 PolarHBondContact O-N 3.04Å; R280-D284 VanDerWaalsContact O-O 3.13Å; R280-E288 HydrophobicContact CB-CG 3.94Å; R280-E288 WeakPolarHBondContact CB-OE1 3.45Å; R280-E288 WeakPolarHBondContact CD-OE1 3.49Å; R280-E288 HydrophobicContact CG-CG 4.02Å; R280-R291 VanDerWaalsContact CZ-NH2 3.28Å; R280-R291 VanDerWaalsContact NE-NH2 3.16Å
281L97.1Very high98Very high6 Ų632.3 Ų32.33%0.03118%0.179CC..Hα-helixtrans-64.3-16.8171.2-170.666.6000112.9A133 V134 F137 V207 V276 S277 E279 E288 M289A133-L281 HydrophobicContact CB-CD2 3.9Å; V134-L281 HydrophobicContact CG2-CD1 4.13Å; V134-L281 HydrophobicContact CG2-CD2 3.4Å; V134-L281 HydrophobicContact CG2-CG 4.43Å; F137-L281 HydrophobicContact CD2-CD1 3.96Å; F137-L281 HydrophobicContact CE2-CD1 4Å; F137-L281 HydrophobicContact CE2-CG 4.3Å; V207-L281 HydrophobicContact CG1-CD2 4.21Å; V276-L281 HydrophobicContact CG1-CD2 4.46Å; S277-L281 VanDerWaalsContact O-CB 3.25Å; S277-L281 WeakPolarHBondContact O-CB 3.44Å; S277-L281 PolarHBondContact O-N 2.75Å; E279-L281 VanDerWaalsContact C-N 3.28Å; E279-L281 PolarHBondContact O-N 3.42Å; L281-E288 HydrophobicContact CB-CG 4.22Å; L281-E288 HydrophobicContact CD1-CB 3.97Å; L281-E288 HydrophobicContact CD1-CG 4.5Å; L281-M289 HydrophobicContact CD1-SD 4.18Å
282I95.3Very high98Very high49 Ų4927.9 Ų27.925%0.25115%0.147SC..Hα-helixtrans-91-42.3174.4-60.1162.7000111G278 E279 R280 F309 F315 P316G278-I282 WeakPolarHBondContact O-CD1 3.27Å; G278-I282 WeakPolarHBondContact O-CG1 3.49Å; E279-I282 WeakPolarHBondContact O-CB 3.42Å; E279-I282 PolarHBondContact O-N 2.94Å; R280-I282 PolarHBondContact O-N 3.2Å; R280-I282 VanDerWaalsContact O-N 3.17Å; I282-F309 HydrophobicContact CG2-CE2 4.45Å; I282-F315 HydrophobicContact CD1-CD1 4.26Å; I282-F315 HydrophobicContact CD1-CE1 3.72Å; I282-F315 HydrophobicContact CG1-CD1 4.01Å; I282-F315 HydrophobicContact CG1-CE1 3.98Å; I282-F315 HydrophobicContact CG2-CD1 4.24Å; I282-P316 WeakPolarHBondContact O-CD 3.43Å
283T96.3Very high98Very high117 Ų11727 Ų2772%0.71814%0.144SC*.Hα-helixtrans-89-37.7-17454.60000113.9E279 R280E279-T283 PolarHBondContact O-N 3.36Å; R280-T283 WeakPolarHBondContact CA-OG1 3.48Å; R280-T283 PolarHBondContact O-N 2.87Å
284D97.6Very high98Very high50 Ų5030.1 Ų30.127%0.26716%0.16SC..  trans-135.568.3179.2171.929.7000110.3R280 A286 G287 E288R280-D284 HydrophobicContact CG-CB 3.87Å; R280-D284 IonicContact CZ-OD2 3.91Å; R280-D284 IonicContact NE-OD2 3.13Å; R280-D284 PolarHBondContact NE-OD2 3.14Å; R280-D284 IonicContact NH2-OD2 3.5Å; R280-D284 PolarHBondContact NH2-OD2 3.43Å; R280-D284 CarbonylContact O-C 3.53Å; R280-D284 WeakPolarHBondContact O-CA 3.37Å; R280-D284 PolarHBondContact O-N 3.04Å; R280-D284 VanDerWaalsContact O-O 3.13Å; D284-A286 PolarHBondContact O-N 3.44Å; D284-G287 PolarHBondContact O-N 3.23Å; D284-G287 WeakPolarHBondContact OD1-CA 3.33Å; D284-G287 PolarHBondContact OD1-N 2.87Å; D284-G287 WeakPolarHBondContact OD2-CA 3.32Å; D284-E288 PolarHBondContact O-N 3.28Å
285P97.6Very high98Very high14 Ų1430.7 Ų30.79%0.09116%0.162CC..Hα-helixtrans-62.3-27.3177.525.9-35.5000112.5F137 M289 F307 P316F137-P285 HydrophobicContact CE2-CB 4.02Å; P285-M289 VanDerWaalsContact O-CB 3.29Å; P285-M289 WeakPolarHBondContact O-CB 3.43Å; P285-M289 WeakPolarHBondContact O-CG 3.27Å; P285-M289 PolarHBondContact O-N 3.07Å; P285-F307 HydrophobicContact CB-CD1 3.95Å; P285-F307 HydrophobicContact CB-CD2 4.17Å; P285-F307 HydrophobicContact CB-CE1 3.97Å; P285-F307 HydrophobicContact CB-CE2 4.18Å; P285-F307 HydrophobicContact CB-CG 4.05Å; P285-F307 HydrophobicContact CB-CZ 4.09Å; P285-F307 HydrophobicContact CG-CB 4.03Å; P285-F307 HydrophobicContact CG-CD1 4.02Å; P285-F307 HydrophobicContact CG-CD2 4.01Å; P285-F307 HydrophobicContact CG-CG 3.74Å; P285-P316 HydrophobicContact CB-CB 4.5Å; P285-P316 HydrophobicContact CB-CG 4.46Å; P285-P316 HydrophobicContact CG-CB 3.96Å; P285-P316 HydrophobicContact CG-CG 4.28Å
286A97.8Very high98Very high22 Ų2230.7 Ų30.718%0.18216%0.163CC..Hα-helixtrans-69.7-45178.900000111.7D284 M289 G290 D304 F307D284-A286 PolarHBondContact O-N 3.44Å; A286-M289 PolarHBondContact O-N 3.05Å; A286-G290 PolarHBondContact O-N 3.08Å; A286-D304 HydrophobicContact CB-CB 4.33Å; A286-F307 HydrophobicContact CB-CD2 4.24Å; A286-F307 HydrophobicContact CB-CE2 4.35Å
287G98.3Very high98Very high18 Ų1833.7 Ų33.719%0.18619%0.194CC..Hα-helixtrans-69.2-39.317800000113.6D284 G290 R291D284-G287 PolarHBondContact O-N 3.23Å; D284-G287 WeakPolarHBondContact OD1-CA 3.33Å; D284-G287 PolarHBondContact OD1-N 2.87Å; D284-G287 WeakPolarHBondContact OD2-CA 3.32Å; G287-G290 PolarHBondContact O-N 3.01Å; G287-R291 VanDerWaalsContact O-CZ 3.22Å; G287-R291 PolarHBondContact O-N 3.17Å; G287-R291 PolarHBondContact O-NH1 3.06Å; G287-R291 PolarHBondContact O-NH2 3.13Å
288E98.4Very high97.9Very high1 Ų134.1 Ų34.11%0.00520%0.195CC..Hα-helixtrans-61.7-51170.3-77.6-57.8139.400111.2V276 S277 R280 L281 D284 G290 R291 V292V276-E288 HydrophobicContact CG1-CB 4.38Å; V276-E288 HydrophobicContact CG1-CG 4.32Å; V276-E288 WeakPolarHBondContact CG1-OE2 3.47Å; S277-E288 PolarHBondContact N-OE2 2.95Å; R280-E288 HydrophobicContact CB-CG 3.94Å; R280-E288 WeakPolarHBondContact CB-OE1 3.45Å; R280-E288 WeakPolarHBondContact CD-OE1 3.49Å; R280-E288 HydrophobicContact CG-CG 4.02Å; L281-E288 HydrophobicContact CB-CG 4.22Å; L281-E288 HydrophobicContact CD1-CB 3.97Å; L281-E288 HydrophobicContact CD1-CG 4.5Å; D284-E288 PolarHBondContact O-N 3.28Å; E288-G290 PolarHBondContact O-N 2.76Å; E288-R291 PolarHBondContact O-N 3.4Å; E288-R291 VanDerWaalsContact O-N 3.08Å; E288-R291 IonicContact OE1-CZ 3.52Å; E288-R291 IonicContact OE1-NE 2.63Å; E288-R291 IonicContact OE1-NH2 2.73Å; E288-R291 PolarHBondContact OE1-NH2 3.01Å; E288-R291 IonicContact OE2-NE 3.58Å; E288-R291 IonicContact OE2-NH2 3.55Å; E288-V292 WeakPolarHBondContact O-CG2 3.26Å; E288-V292 PolarHBondContact O-N 3.09Å
289M98.6Very high97.9Very high0 Ų041.8 Ų41.80%023%0.227CC..Hα-helixtrans-66.2-23.3179.5-66.1-47.6-51.100113.1V134 F137 I138 L281 P285 A286 V292 Q293 I302 F307V134-M289 HydrophobicContact CG1-CE 4.28Å; V134-M289 HydrophobicContact CG1-SD 4.17Å; F137-M289 HydrophobicContact CB-CE 4.25Å; F137-M289 HydrophobicContact CB-CG 3.99Å; F137-M289 HydrophobicContact CB-SD 3.87Å; F137-M289 HydrophobicContact CD2-CG 4.08Å; F137-M289 HydrophobicContact CD2-SD 4.19Å; I138-M289 HydrophobicContact CB-CE 3.64Å; I138-M289 HydrophobicContact CD1-CE 3.7Å; I138-M289 HydrophobicContact CG1-CE 4.12Å; L281-M289 HydrophobicContact CD1-SD 4.18Å; P285-M289 VanDerWaalsContact O-CB 3.29Å; P285-M289 WeakPolarHBondContact O-CB 3.43Å; P285-M289 WeakPolarHBondContact O-CG 3.27Å; P285-M289 PolarHBondContact O-N 3.07Å; A286-M289 PolarHBondContact O-N 3.05Å; M289-V292 HydrophobicContact CE-CB 3.88Å; M289-V292 HydrophobicContact CE-CG1 3.88Å; M289-V292 HydrophobicContact CE-CG2 4.27Å; M289-V292 HydrophobicContact SD-CG2 4.34Å; M289-Q293 VanDerWaalsContact O-CG 3.28Å; M289-Q293 WeakPolarHBondContact O-CG 3.42Å; M289-Q293 PolarHBondContact O-N 2.92Å; M289-Q293 PolarHBondContact O-NE2 2.87Å; M289-I302 HydrophobicContact CB-CG2 3.89Å; M289-I302 HydrophobicContact CG-CG2 4.36Å; M289-F307 HydrophobicContact CG-CZ 4.01Å
290G98.6Very high97.9Very high6 Ų646.4 Ų46.46%0.06224%0.242CC..Hα-helixtrans-57.2-54.3166.700000112A286 G287 E288 V292 Q293 D294A286-G290 PolarHBondContact O-N 3.08Å; G287-G290 PolarHBondContact O-N 3.01Å; E288-G290 PolarHBondContact O-N 2.76Å; G290-V292 PolarHBondContact O-N 2.75Å; G290-Q293 PolarHBondContact O-N 2.61Å; G290-D294 VanDerWaalsContact O-CG 3.24Å; G290-D294 PolarHBondContact O-N 3.32Å; G290-D294 VanDerWaalsContact O-N 3.11Å
291R98.7Very high97.9Very high63 Ų6344.1 Ų44.124%0.23824%0.238CC..Hα-helixtrans-61.8-40177.2-73.6179-73.9-72.24.2112.8R280 G287 E288 Q293 D294 F295R280-R291 VanDerWaalsContact CZ-NH2 3.28Å; R280-R291 VanDerWaalsContact NE-NH2 3.16Å; G287-R291 VanDerWaalsContact O-CZ 3.22Å; G287-R291 PolarHBondContact O-N 3.17Å; G287-R291 PolarHBondContact O-NH1 3.06Å; G287-R291 PolarHBondContact O-NH2 3.13Å; E288-R291 PolarHBondContact O-N 3.4Å; E288-R291 VanDerWaalsContact O-N 3.08Å; E288-R291 IonicContact OE1-CZ 3.52Å; E288-R291 IonicContact OE1-NE 2.63Å; E288-R291 IonicContact OE1-NH2 2.73Å; E288-R291 PolarHBondContact OE1-NH2 3.01Å; E288-R291 IonicContact OE2-NE 3.58Å; E288-R291 IonicContact OE2-NH2 3.55Å; R291-Q293 VanDerWaalsContact C-N 3.31Å; R291-Q293 PolarHBondContact O-N 2.69Å; R291-D294 PolarHBondContact O-N 3Å; R291-F295 WeakPolarHBondContact O-CB 3.47Å; R291-F295 PolarHBondContact O-N 3.34Å
292V98.8Very high97.9Very high0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-62.3-38.4176.5178.30000111.6V134 I138 I205 V276 E288 M289 G290 L296V134-V292 HydrophobicContact CG1-CG1 4.43Å; V134-V292 HydrophobicContact CG1-CG2 4.43Å; I138-V292 HydrophobicContact CD1-CG1 4.08Å; I138-V292 HydrophobicContact CG1-CG1 4.35Å; I205-V292 HydrophobicContact CD1-CG1 3.95Å; V276-V292 HydrophobicContact CG2-CG2 3.6Å; E288-V292 WeakPolarHBondContact O-CG2 3.26Å; E288-V292 PolarHBondContact O-N 3.09Å; M289-V292 HydrophobicContact CE-CB 3.88Å; M289-V292 HydrophobicContact CE-CG1 3.88Å; M289-V292 HydrophobicContact CE-CG2 4.27Å; M289-V292 HydrophobicContact SD-CG2 4.34Å; G290-V292 PolarHBondContact O-N 2.75Å; V292-L296 HydrophobicContact CG1-CD1 4.03Å; V292-L296 WeakPolarHBondContact O-CB 3.35Å; V292-L296 VanDerWaalsContact O-CG 3.27Å; V292-L296 WeakPolarHBondContact O-CG 3.31Å; V292-L296 PolarHBondContact O-N 2.82Å; V292-L296 VanDerWaalsContact O-N 3.14Å
293Q98.8Very high98Very high0 Ų044 Ų440%024%0.239CC..Hα-helixtrans-65.2-50.2175.7-73.5164.6115.700111I138 M289 G290 R291 F295 L296 G297 L298 K299 R300 I302I138-Q293 HydrophobicContact CD1-CG 4.04Å; M289-Q293 VanDerWaalsContact O-CG 3.28Å; M289-Q293 WeakPolarHBondContact O-CG 3.42Å; M289-Q293 PolarHBondContact O-N 2.92Å; M289-Q293 PolarHBondContact O-NE2 2.87Å; G290-Q293 PolarHBondContact O-N 2.61Å; R291-Q293 VanDerWaalsContact C-N 3.31Å; R291-Q293 PolarHBondContact O-N 2.69Å; Q293-F295 PolarHBondContact O-N 3.26Å; Q293-L296 PolarHBondContact O-N 2.97Å; Q293-G297 PolarHBondContact O-N 3.5Å; Q293-L298 HydrophobicContact CB-CB 4.12Å; Q293-L298 HydrophobicContact CG-CB 4.41Å; Q293-L298 PolarHBondContact O-N 2.85Å; Q293-K299 PolarHBondContact OE1-O 2.85Å; Q293-R300 HydrophobicContact CB-CG 4.47Å; Q293-I302 PolarHBondContact NE2-O 3.06Å
294D98.7Very high98Very high75 Ų7543.2 Ų43.240%0.40123%0.231SC..Hα-helixtrans-57.8-48.6179.4-51.8-29.2000111.7G290 R291 L296 G297 R300G290-D294 VanDerWaalsContact O-CG 3.24Å; G290-D294 PolarHBondContact O-N 3.32Å; G290-D294 VanDerWaalsContact O-N 3.11Å; R291-D294 PolarHBondContact O-N 3Å; D294-L296 VanDerWaalsContact C-N 3.31Å; D294-L296 PolarHBondContact O-N 3.36Å; D294-G297 PolarHBondContact O-N 3.08Å; D294-R300 WeakPolarHBondContact OD1-CG 3.11Å; D294-R300 IonicContact OD1-CZ 2.72Å; D294-R300 IonicContact OD1-NE 3.76Å; D294-R300 PolarHBondContact OD1-NE 2.82Å; D294-R300 IonicContact OD1-NH2 3.83Å; D294-R300 IonicContact OD2-CZ 2.75Å; D294-R300 IonicContact OD2-NE 3.63Å; D294-R300 PolarHBondContact OD2-NE 3.38Å; D294-R300 IonicContact OD2-NH2 3Å; D294-R300 PolarHBondContact OD2-NH2 3.38Å
295F98.7Very high97.8Very high36 Ų3648.5 Ų48.516%0.15825%0.251CS..Hα-helixtrans-59.5-40.5179.3169.4-108000112.3K203 L204 I205 Q272 H274 R291 Q293 G297K203-F295 HydrophobicContact CB-CE1 3.86Å; K203-F295 HydrophobicContact CB-CZ 3.76Å; K203-F295 HydrophobicContact CD-CE1 4.4Å; K203-F295 HydrophobicContact CD-CZ 4.33Å; K203-F295 WeakPolarHBondContact CD-O 3.45Å; K203-F295 WeakPolarHBondContact CE-O 3.38Å; K203-F295 HydrophobicContact CG-CZ 4.2Å; K203-F295 PolarHBondContact NZ-O 3.26Å; L204-F295 WeakPolarHBondContact O-CE1 3.29Å; L204-F295 WeakPolarHBondContact O-CZ 3.37Å; I205-F295 HydrophobicContact CG1-CD1 4.16Å; I205-F295 HydrophobicContact CG1-CE1 3.83Å; Q272-F295 WeakPolarHBondContact O-CZ 3.46Å; H274-F295 HydrophobicContact CB-CB 4.22Å; H274-F295 HydrophobicContact CB-CD1 3.43Å; H274-F295 VanDerWaalsContact CB-CD1 3.43Å; H274-F295 HydrophobicContact CB-CD2 3.71Å; H274-F295 HydrophobicContact CB-CE1 3.55Å; H274-F295 HydrophobicContact CB-CE2 3.82Å; H274-F295 HydrophobicContact CB-CG 3.49Å; H274-F295 VanDerWaalsContact CB-CG 3.49Å; H274-F295 HydrophobicContact CB-CZ 3.73Å; H274-F295 AromaticContact CG-CG 3.88Å; R291-F295 WeakPolarHBondContact O-CB 3.47Å; R291-F295 PolarHBondContact O-N 3.34Å; Q293-F295 PolarHBondContact O-N 3.26Å; F295-G297 VanDerWaalsContact C-N 3.27Å; F295-G297 PolarHBondContact O-N 2.98Å
296L98.3Very high97.6Very high9 Ų950.3 Ų50.35%0.04726%0.259CS..Hα-helixtrans-69.8-24.8175.5-72.4175.9000112.4A121 I138 I177 K203 I205 V292 Q293 D294 L298A121-L296 HydrophobicContact CB-CD2 3.53Å; I138-L296 HydrophobicContact CD1-CD1 4.2Å; I138-L296 HydrophobicContact CG1-CD1 4.05Å; I177-L296 HydrophobicContact CD1-CB 3.87Å; K203-L296 VanDerWaalsContact NZ-C 3.33Å; K203-L296 PolarHBondContact NZ-O 3.28Å; I205-L296 HydrophobicContact CD1-CD1 4.41Å; I205-L296 HydrophobicContact CD1-CD2 4.26Å; I205-L296 HydrophobicContact CD1-CG 4.44Å; V292-L296 HydrophobicContact CG1-CD1 4.03Å; V292-L296 WeakPolarHBondContact O-CB 3.35Å; V292-L296 VanDerWaalsContact O-CG 3.27Å; V292-L296 WeakPolarHBondContact O-CG 3.31Å; V292-L296 PolarHBondContact O-N 2.82Å; V292-L296 VanDerWaalsContact O-N 3.14Å; Q293-L296 PolarHBondContact O-N 2.97Å; D294-L296 VanDerWaalsContact C-N 3.31Å; D294-L296 PolarHBondContact O-N 3.36Å; L296-L298 HydrophobicContact CB-CD1 3.87Å; L296-L298 HydrophobicContact CB-CG 3.91Å; L296-L298 HydrophobicContact CD1-CD1 3.83Å
297G97.9Very high97.5Very high63 Ų6350 Ų5065%0.64925%0.253SS*.THydrogen-bonded Turntrans92.523.2-172.900000112.9Q293 D294 F295Q293-G297 PolarHBondContact O-N 3.5Å; D294-G297 PolarHBondContact O-N 3.08Å; F295-G297 VanDerWaalsContact C-N 3.27Å; F295-G297 PolarHBondContact O-N 2.98Å
298L98Very high97.2Very high19 Ų1952.5 Ų52.510%0.09926%0.257CS..  trans-95.3153.4-177.5-63171.3000111.3I138 D143 V144 I177 Q293 L296I138-L298 HydrophobicContact CD1-CD1 4.09Å; D143-L298 HydrophobicContact CB-CD2 4.13Å; V144-L298 HydrophobicContact CG2-CD1 3.41Å; V144-L298 VanDerWaalsContact CG2-CD1 3.41Å; V144-L298 HydrophobicContact CG2-CD2 4.33Å; I177-L298 HydrophobicContact CD1-CD1 4.23Å; I177-L298 HydrophobicContact CD1-CD2 3.64Å; I177-L298 HydrophobicContact CD1-CG 3.84Å; I177-L298 HydrophobicContact CG1-CD2 4.16Å; Q293-L298 HydrophobicContact CB-CB 4.12Å; Q293-L298 HydrophobicContact CG-CB 4.41Å; Q293-L298 PolarHBondContact O-N 2.85Å; L296-L298 HydrophobicContact CB-CD1 3.87Å; L296-L298 HydrophobicContact CB-CG 3.91Å; L296-L298 HydrophobicContact CD1-CD1 3.83Å
299K97.9Very high96.9Very high165 Ų16557.8 Ų57.872%0.71728%0.281SS*.  trans-64.2138.6168.9-174173.1-178.6174.60109.5H141 Q293 I301H141-K299 PolarHBondContact CD2-O 3.21Å; H141-K299 PolarHBondContact NE2-O 3.49Å; Q293-K299 PolarHBondContact OE1-O 2.85Å; K299-I301 VanDerWaalsContact C-N 3.32Å; K299-I301 HydrophobicContact CB-CD1 4.41Å; K299-I301 HydrophobicContact CB-CG1 4.15Å; K299-I301 HydrophobicContact CD-CD1 4.41Å; K299-I301 HydrophobicContact CD-CG1 4.24Å; K299-I301 HydrophobicContact CG-CG1 4.02Å; K299-I301 PolarHBondContact O-N 3.04Å
300R97.9Very high96.4Very high154 Ų15459.6 Ų59.658%0.58129%0.29SS*.SBendtrans-69.785.9171.9-71.1-176.5174.2-171.11.1111Q293 D294Q293-R300 HydrophobicContact CB-CG 4.47Å; D294-R300 WeakPolarHBondContact OD1-CG 3.11Å; D294-R300 IonicContact OD1-CZ 2.72Å; D294-R300 IonicContact OD1-NE 3.76Å; D294-R300 PolarHBondContact OD1-NE 2.82Å; D294-R300 IonicContact OD1-NH2 3.83Å; D294-R300 IonicContact OD2-CZ 2.75Å; D294-R300 IonicContact OD2-NE 3.63Å; D294-R300 PolarHBondContact OD2-NE 3.38Å; D294-R300 IonicContact OD2-NH2 3Å; D294-R300 PolarHBondContact OD2-NH2 3.38Å
301I97.5Very high95.9Very high60 Ų6070.1 Ų70.131%0.30833%0.328SS..  trans-98.4-42.5175.6-62.9-178.5000110.3P142 K299 T303 H306P142-I301 HydrophobicContact CG-CD1 3.87Å; K299-I301 VanDerWaalsContact C-N 3.32Å; K299-I301 HydrophobicContact CB-CD1 4.41Å; K299-I301 HydrophobicContact CB-CG1 4.15Å; K299-I301 HydrophobicContact CD-CD1 4.41Å; K299-I301 HydrophobicContact CD-CG1 4.24Å; K299-I301 HydrophobicContact CG-CG1 4.02Å; K299-I301 PolarHBondContact O-N 3.04Å; I301-T303 PolarHBondContact O-N 3.38Å; I301-T303 PolarHBondContact O-OG1 3.18Å; I301-H306 PolarHBondContact O-CE1 3.05Å
302I96.9Very high95.1Very high3 Ų374 Ų742%0.01536%0.359CS..  trans-69.5126.9176.2-58.2163.3000108.9F137 I138 I140 H141 M289 Q293 F307F137-I302 VanDerWaalsContact O-CD1 3.29Å; F137-I302 WeakPolarHBondContact O-CD1 3.36Å; I138-I302 HydrophobicContact CD1-CD1 3.97Å; I140-I302 HydrophobicContact CB-CD1 4.34Å; I140-I302 HydrophobicContact CB-CG1 4.17Å; I140-I302 HydrophobicContact CG2-CG1 4.2Å; H141-I302 HydrophobicContact CB-CD1 4.06Å; M289-I302 HydrophobicContact CB-CG2 3.89Å; M289-I302 HydrophobicContact CG-CG2 4.36Å; Q293-I302 PolarHBondContact NE2-O 3.06Å; I302-F307 HydrophobicContact CG2-CE2 3.64Å; I302-F307 HydrophobicContact CG2-CZ 3.65Å
303T96.6Very high94.4Very high49 Ų4976.3 Ų76.330%0.30137%0.369SS..  trans-150.9171.6-165.342.20000110.2I301 K305 H306 F307I301-T303 PolarHBondContact O-N 3.38Å; I301-T303 PolarHBondContact O-OG1 3.18Å; T303-K305 PolarHBondContact O-N 3.35Å; T303-K305 VanDerWaalsContact O-N 3.11Å; T303-H306 PolarHBondContact N-ND1 3.35Å; T303-H306 WeakPolarHBondContact O-CB 3.32Å; T303-H306 PolarHBondContact O-N 3.35Å; T303-H306 PolarHBondContact O-ND1 2.85Å; T303-H306 PolarHBondContact OG1-CE1 3.12Å; T303-H306 VanDerWaalsContact OG1-CE1 3.31Å; T303-H306 PolarHBondContact OG1-ND1 3.47Å; T303-F307 VanDerWaalsContact O-CD2 3.29Å; T303-F307 WeakPolarHBondContact O-CD2 3.24Å
304D95.4Very high93.8Very high101 Ų10177.9 Ų77.954%0.5439%0.385SS..G310 helixtrans-48.5-34.5173.171.9-59000113.5A286 H306 F307 K319A286-D304 HydrophobicContact CB-CB 4.33Å; D304-H306 PolarHBondContact O-N 3.29Å; D304-F307 PolarHBondContact O-N 2.84Å; D304-K319 PolarHBondContact O-NZ 2.88Å
305K93.8Very high93.4Very high160 Ų16077.2 Ų77.270%0.69638%0.379SS*.G310 helixtrans-58.4-17175.6-65.4-174.4-178.8-178.30113.6T303 K319T303-K305 PolarHBondContact O-N 3.35Å; T303-K305 VanDerWaalsContact O-N 3.11Å; K305-K319 WeakPolarHBondContact O-CD 3.48Å
306H94.4Very high93.1Very high53 Ų5376 Ų7625%0.24537%0.374CS..G310 helixtrans-95.1-13178-61.582.7000114.2I140 I301 T303 D304 K319I140-H306 HydrophobicContact CD1-CB 4.38Å; I301-H306 PolarHBondContact O-CE1 3.05Å; T303-H306 PolarHBondContact N-ND1 3.35Å; T303-H306 WeakPolarHBondContact O-CB 3.32Å; T303-H306 PolarHBondContact O-N 3.35Å; T303-H306 PolarHBondContact O-ND1 2.85Å; T303-H306 PolarHBondContact OG1-CE1 3.12Å; T303-H306 VanDerWaalsContact OG1-CE1 3.31Å; T303-H306 PolarHBondContact OG1-ND1 3.47Å; D304-H306 PolarHBondContact O-N 3.29Å; H306-K319 PolarHBondContact O-N 2.86Å
307F95Very high92.8Very high14 Ų1475.6 Ų75.66%0.06137%0.373CS..EExtended strand (participates in β ladder)trans-116.4145.2-173.9-58.7-73.4000113.2F137 P285 A286 M289 I302 T303 D304 C317 L318 K319F137-F307 HydrophobicContact CB-CE1 4.22Å; F137-F307 HydrophobicContact CB-CZ 4.31Å; F137-F307 AromaticContact CD1-CE1 3.95Å; F137-F307 HydrophobicContact CD1-CE1 3.95Å; F137-F307 AromaticContact CD2-CE1 3.57Å; F137-F307 HydrophobicContact CD2-CE1 3.57Å; F137-F307 HydrophobicContact CD2-CZ 4.01Å; F137-F307 HydrophobicContact CE1-CE1 4.14Å; F137-F307 HydrophobicContact CE2-CD1 4.44Å; F137-F307 AromaticContact CE2-CE1 3.79Å; F137-F307 HydrophobicContact CE2-CE1 3.79Å; F137-F307 AromaticContact CG-CE1 3.65Å; F137-F307 HydrophobicContact CG-CE1 3.65Å; F137-F307 HydrophobicContact CG-CZ 4.16Å; F137-F307 HydrophobicContact CZ-CD1 4.44Å; F137-F307 HydrophobicContact CZ-CE1 4.06Å; P285-F307 HydrophobicContact CB-CD1 3.95Å; P285-F307 HydrophobicContact CB-CD2 4.17Å; P285-F307 HydrophobicContact CB-CE1 3.97Å; P285-F307 HydrophobicContact CB-CE2 4.18Å; P285-F307 HydrophobicContact CB-CG 4.05Å; P285-F307 HydrophobicContact CB-CZ 4.09Å; P285-F307 HydrophobicContact CG-CB 4.03Å; P285-F307 HydrophobicContact CG-CD1 4.02Å; P285-F307 HydrophobicContact CG-CD2 4.01Å; P285-F307 HydrophobicContact CG-CG 3.74Å; A286-F307 HydrophobicContact CB-CD2 4.24Å; A286-F307 HydrophobicContact CB-CE2 4.35Å; M289-F307 HydrophobicContact CG-CZ 4.01Å; I302-F307 HydrophobicContact CG2-CE2 3.64Å; I302-F307 HydrophobicContact CG2-CZ 3.65Å; T303-F307 VanDerWaalsContact O-CD2 3.29Å; T303-F307 WeakPolarHBondContact O-CD2 3.24Å; D304-F307 PolarHBondContact O-N 2.84Å; F307-C317 WeakPolarHBondContact CA-O 3.33Å; F307-L318 HydrophobicContact CD1-CD2 3.85Å; F307-L318 HydrophobicContact CE1-CD2 3.59Å; F307-K319 WeakPolarHBondContact O-CD 3.32Å; F307-K319 WeakPolarHBondContact O-CE 3.29Å; F307-K319 PolarHBondContact O-NZ 3.31Å
308Y92.6Very high92.5Very high72 Ų7273.5 Ų73.528%0.28235%0.346SS..EExtended strand (participates in β ladder)trans-134.9146.2163.378.5-76.9000110.1N310 P316 C317 L318 K319 P327 C329Y308-N310 HydrophobicContact CE2-CB 4.06Å; Y308-P316 WeakPolarHBondContact O-CA 3.04Å; Y308-C317 HydrophobicContact CD1-CB 3.98Å; Y308-C317 WeakPolarHBondContact CD1-O 3.25Å; Y308-C317 HydrophobicContact CE1-CB 3.38Å; Y308-C317 HydrophobicContact CE2-CB 4.41Å; Y308-C317 PolarHBondContact N-O 2.72Å; Y308-C317 PolarHBondContact O-N 2.92Å; Y308-L318 WeakPolarHBondContact CE1-O 3.2Å; Y308-K319 HydrophobicContact CD1-CG 3.97Å; Y308-K319 HydrophobicContact CG-CG 4.38Å; Y308-P327 HydrophobicContact CE1-CB 3.58Å; Y308-P327 WeakPolarHBondContact OH-CB 3.32Å; Y308-C329 PolarHBondContact OH-SG 3.09Å; Y308-C329 VanDerWaalsContact OH-SG 3.41Å
309F90.9Very high92Very high112 Ų11276.6 Ų76.649%0.49136%0.359SS..EExtended strand (participates in β ladder)trans-86119.7176.9-166.7-93.4000110.7I282 R311 G314I282-F309 HydrophobicContact CG2-CE2 4.45Å; F309-R311 HydrophobicContact CD1-CG 4.21Å; F309-R311 PolarHBondContact O-N 3.03Å; F309-G314 VanDerWaalsContact CZ-C 3.4Å; F309-G314 WeakPolarHBondContact CZ-O 3.46Å
310N89.3Confident90.8Very high38 Ų3874.7 Ų74.720%0.20335%0.35CS..EExtended strand (participates in β ladder)trans-89.1100.5175.8-177.5-31.6000109.2Y308 T312 K313 G314 F315 C329Y308-N310 HydrophobicContact CE2-CB 4.06Å; N310-T312 VanDerWaalsContact C-N 3.33Å; N310-T312 PolarHBondContact O-N 3.23Å; N310-T312 PolarHBondContact OD1-N 3.48Å; N310-K313 HydrophobicContact CB-CB 3.96Å; N310-K313 PolarHBondContact O-N 3.1Å; N310-K313 PolarHBondContact OD1-N 2.76Å; N310-G314 PolarHBondContact O-N 2.96Å; N310-F315 PolarHBondContact N-O 2.93Å; N310-C329 PolarHBondContact ND2-SG 3.09Å; N310-C329 VanDerWaalsContact ND2-SG 3.35Å
311R87Confident89.3Confident227 Ų22769.7 Ų69.786%0.85734%0.338SS*.THydrogen-bonded Turntrans-55.9-42.8-178.4-68-172.8178.7-167.90.3113F309 K313 G314F309-R311 HydrophobicContact CD1-CG 4.21Å; F309-R311 PolarHBondContact O-N 3.03Å; R311-K313 VanDerWaalsContact C-N 3.26Å; R311-K313 PolarHBondContact O-N 2.98Å; R311-G314 PolarHBondContact O-N 2.97Å
312T83.6Confident87.5Confident144 Ų14476.9 Ų76.988%0.88337%0.371SS*.THydrogen-bonded Turntrans-65.1-29.1178.2-44.10000112.7N310N310-T312 VanDerWaalsContact C-N 3.33Å; N310-T312 PolarHBondContact O-N 3.23Å; N310-T312 PolarHBondContact OD1-N 3.48Å
313K83.6Confident85.7Confident48 Ų4882.4 Ų82.421%0.20941%0.409CS..THydrogen-bonded Turntrans-86.9-30.2175.8-168179.9171.369.80112.7N310 R311 F315 C329 L330 G331 K334N310-K313 HydrophobicContact CB-CB 3.96Å; N310-K313 PolarHBondContact O-N 3.1Å; N310-K313 PolarHBondContact OD1-N 2.76Å; R311-K313 VanDerWaalsContact C-N 3.26Å; R311-K313 PolarHBondContact O-N 2.98Å; K313-F315 HydrophobicContact CD-CB 4.32Å; K313-F315 HydrophobicContact CG-CB 4.34Å; K313-F315 HydrophobicContact CG-CD2 4.29Å; K313-F315 WeakPolarHBondContact O-CD2 3.39Å; K313-C329 HydrophobicContact CD-CB 4.26Å; K313-L330 WeakPolarHBondContact CE-O 3.29Å; K313-L330 PolarHBondContact NZ-O 2.81Å; K313-G331 PolarHBondContact NZ-O 2.86Å; K313-K334 PolarHBondContact NZ-O 3.31Å
314G85.3Confident84.1Confident33 Ų3382.2 Ų82.234%0.3441%0.41SS..THydrogen-bonded Turntrans76.717.2-170.900000114.5F309 N310 R311F309-G314 VanDerWaalsContact CZ-C 3.4Å; F309-G314 WeakPolarHBondContact CZ-O 3.46Å; N310-G314 PolarHBondContact O-N 2.96Å; R311-G314 PolarHBondContact O-N 2.97Å
315F91.1Very high82.4Confident62 Ų6282 Ų8227%0.27242%0.416SS..EExtended strand (participates in β ladder)trans-141.6154-176.1-72.8-88.8000112.2I282 N310 K313I282-F315 HydrophobicContact CD1-CD1 4.26Å; I282-F315 HydrophobicContact CD1-CE1 3.72Å; I282-F315 HydrophobicContact CG1-CD1 4.01Å; I282-F315 HydrophobicContact CG1-CE1 3.98Å; I282-F315 HydrophobicContact CG2-CD1 4.24Å; N310-F315 PolarHBondContact N-O 2.93Å; K313-F315 HydrophobicContact CD-CB 4.32Å; K313-F315 HydrophobicContact CG-CB 4.34Å; K313-F315 HydrophobicContact CG-CD2 4.29Å; K313-F315 WeakPolarHBondContact O-CD2 3.39Å
316P91.5Very high80.9Confident10 Ų1081 Ų817%0.06541%0.414CS..EExtended strand (participates in β ladder)trans-65.5145.6168.128.3-34.1000111.6F137 I282 P285 Y308F137-P316 HydrophobicContact CZ-CG 4.42Å; I282-P316 WeakPolarHBondContact O-CD 3.43Å; P285-P316 HydrophobicContact CB-CB 4.5Å; P285-P316 HydrophobicContact CB-CG 4.46Å; P285-P316 HydrophobicContact CG-CB 3.96Å; P285-P316 HydrophobicContact CG-CG 4.28Å; Y308-P316 WeakPolarHBondContact O-CA 3.04Å
317C92.4Very high79.8Confident1 Ų181.3 Ų81.31%0.00742%0.421CS..EExtended strand (participates in β ladder)trans-131.9159.5177-63.60000110F307 Y308 C329F307-C317 WeakPolarHBondContact CA-O 3.33Å; Y308-C317 HydrophobicContact CD1-CB 3.98Å; Y308-C317 WeakPolarHBondContact CD1-O 3.25Å; Y308-C317 HydrophobicContact CE1-CB 3.38Å; Y308-C317 HydrophobicContact CE2-CB 4.41Å; Y308-C317 PolarHBondContact N-O 2.72Å; Y308-C317 PolarHBondContact O-N 2.92Å; C317-C329 HydrophobicContact CB-CB 3.91Å; C317-C329 WeakPolarHBondContact CB-SG 3.4Å; C317-C329 WeakPolarHBondContact SG-CA 3.07Å; C317-C329 WeakPolarHBondContact SG-CB 3.45Å; C317-C329 CovalentContact SG-SG 2.03Å; C317-C329 PolarHBondContact SG-SG 3.17Å
318L92Very high79.4Confident18 Ų1887.9 Ų87.99%0.09445%0.445CS..EExtended strand (participates in β ladder)trans-78.4127.1178.1-58.4179.8000110.2F137 I140 F307 Y308 R328F137-L318 HydrophobicContact CD1-CD1 4.31Å; F137-L318 HydrophobicContact CD1-CD2 3.46Å; F137-L318 VanDerWaalsContact CD1-CD2 3.46Å; F137-L318 HydrophobicContact CD1-CG 4.04Å; F137-L318 HydrophobicContact CE1-CD2 3.78Å; F137-L318 HydrophobicContact CE1-CG 4.18Å; F137-L318 HydrophobicContact CG-CD2 4.24Å; I140-L318 HydrophobicContact CD1-CD1 3.83Å; I140-L318 HydrophobicContact CD1-CD2 3.49Å; I140-L318 VanDerWaalsContact CD1-CD2 3.49Å; I140-L318 HydrophobicContact CD1-CG 4.15Å; I140-L318 HydrophobicContact CG1-CD1 4.32Å; F307-L318 HydrophobicContact CD1-CD2 3.85Å; F307-L318 HydrophobicContact CE1-CD2 3.59Å; Y308-L318 WeakPolarHBondContact CE1-O 3.2Å; L318-R328 HydrophobicContact CB-CB 4.29Å; L318-R328 WeakPolarHBondContact CB-O 3.23Å; L318-R328 PolarHBondContact N-O 3.37Å; L318-R328 PolarHBondContact O-N 2.84Å
319K86.6Confident79.2Confident84 Ų8486.7 Ų86.737%0.36545%0.447SS..PPolyproline II helixtrans-59.2162.7169.9-80.6166171.2152.10110.1D304 K305 H306 F307 Y308 P321D304-K319 PolarHBondContact O-NZ 2.88Å; K305-K319 WeakPolarHBondContact O-CD 3.48Å; H306-K319 PolarHBondContact O-N 2.86Å; F307-K319 WeakPolarHBondContact O-CD 3.32Å; F307-K319 WeakPolarHBondContact O-CE 3.29Å; F307-K319 PolarHBondContact O-NZ 3.31Å; Y308-K319 HydrophobicContact CD1-CG 3.97Å; Y308-K319 HydrophobicContact CG-CG 4.38Å; K319-P321 WeakPolarHBondContact O-CD 3.21Å
320K73.4Confident79.1Confident125 Ų12583.2 Ų83.254%0.54343%0.433SS..PPolyproline II helixtrans-62.9126.5175-60.6-172.2-173.6-1680109.5S325 P327K320-S325 WeakPolarHBondContact CE-O 3.32Å; K320-S325 PolarHBondContact NZ-O 2.79Å; K320-P327 HydrophobicContact CG-CB 4.35Å; K320-P327 HydrophobicContact CG-CG 4.06Å
321P66.4Low79Confident50 Ų5083.7 Ų83.733%0.32545%0.447SS..PPolyproline II helixtrans-59.1145.7151.7-14.227.9000108.9K319 S323 S324K319-P321 WeakPolarHBondContact O-CD 3.21Å; P321-S323 PolarHBondContact O-N 3.29Å; P321-S323 VanDerWaalsContact O-N 3.11Å; P321-S324 PolarHBondContact O-N 3.28Å
322E60Low78.9Confident211 Ų21182.7 Ų82.799%0.98645%0.449SS*.THydrogen-bonded Turntrans-57.3-29.2177.8-64.1173.7161.400112.2S324E322-S324 VanDerWaalsContact C-N 3.34Å; E322-S324 PolarHBondContact O-N 3.09Å
323S58.7Low79Confident119 Ų11979 Ų7983%0.83243%0.428SS*.THydrogen-bonded Turntrans-839.1175.5570000115.6P321P321-S323 PolarHBondContact O-N 3.29Å; P321-S323 VanDerWaalsContact O-N 3.11Å
324S62.2Low79.3Confident45 Ų4580.1 Ų80.132%0.31543%0.433SS..  trans-144.4128.5-178-162.30000114.2P321 E322 Q326P321-S324 PolarHBondContact O-N 3.28Å; E322-S324 VanDerWaalsContact C-N 3.34Å; E322-S324 PolarHBondContact O-N 3.09Å; S324-Q326 VanDerWaalsContact C-N 3.33Å; S324-Q326 PolarHBondContact O-N 2.64Å
325S59.7Low79.4Confident95 Ų9580.3 Ų80.366%0.66444%0.435SS*.SBendtrans-70.7-16.3-168.2580000115.8K320K320-S325 WeakPolarHBondContact CE-O 3.32Å; K320-S325 PolarHBondContact NZ-O 2.79Å
326Q63.4Low79.3Confident141 Ų14180.7 Ų80.766%0.65944%0.435SS*.SBendtrans-128.7143.5-173.7-64-166.52.200114.1S324S324-Q326 VanDerWaalsContact C-N 3.33Å; S324-Q326 PolarHBondContact O-N 2.64Å
327P71.6Confident79.1Confident58 Ų5886.5 Ų86.538%0.37747%0.47SS..  trans-73.4148.3176.2-522.7000110.9Y308 K320Y308-P327 HydrophobicContact CE1-CB 3.58Å; Y308-P327 WeakPolarHBondContact OH-CB 3.32Å; K320-P327 HydrophobicContact CG-CB 4.35Å; K320-P327 HydrophobicContact CG-CG 4.06Å
328R85.3Confident79.1Confident153 Ų15388.9 Ų88.958%0.57748%0.481SS*.BIsolated β-bridgetrans-108.590.6-176-72-166.6-84.1-158.1-3.8112.3L318L318-R328 HydrophobicContact CB-CB 4.29Å; L318-R328 WeakPolarHBondContact CB-O 3.23Å; L318-R328 PolarHBondContact N-O 3.37Å; L318-R328 PolarHBondContact O-N 2.84Å
329C88.9Confident79Confident47 Ų4790.2 Ų90.232%0.31849%0.49SS..  trans-76.9151.4162.3-76.40000111.8Y308 N310 K313 C317Y308-C329 PolarHBondContact OH-SG 3.09Å; Y308-C329 VanDerWaalsContact OH-SG 3.41Å; N310-C329 PolarHBondContact ND2-SG 3.09Å; N310-C329 VanDerWaalsContact ND2-SG 3.35Å; K313-C329 HydrophobicContact CD-CB 4.26Å; C317-C329 HydrophobicContact CB-CB 3.91Å; C317-C329 WeakPolarHBondContact CB-SG 3.4Å; C317-C329 WeakPolarHBondContact SG-CA 3.07Å; C317-C329 WeakPolarHBondContact SG-CB 3.45Å; C317-C329 CovalentContact SG-SG 2.03Å; C317-C329 PolarHBondContact SG-SG 3.17Å
330L88.4Confident79.4Confident39 Ų3994.7 Ų94.720%0.20451%0.512CS..  trans-65.1138.8166-61.9178.3000110.6R132 A133 E136 K313 K334R132-L330 HydrophobicContact CG-CD2 4.34Å; A133-L330 HydrophobicContact CB-CD1 3.92Å; E136-L330 HydrophobicContact CB-CD2 4.25Å; E136-L330 HydrophobicContact CG-CD2 3.81Å; K313-L330 WeakPolarHBondContact CE-O 3.29Å; K313-L330 PolarHBondContact NZ-O 2.81Å; L330-K334 HydrophobicContact CB-CB 3.85Å; L330-K334 HydrophobicContact CB-CG 4.11Å; L330-K334 HydrophobicContact CD1-CB 4.22Å; L330-K334 HydrophobicContact CD1-CG 4.42Å
331G86.8Confident80.4Confident47 Ų4789.9 Ų89.949%0.48549%0.492SS..  trans-63.1174.5-175.200000115.3K313 S333 K334K313-G331 PolarHBondContact NZ-O 2.86Å; G331-S333 PolarHBondContact O-N 3.15Å; G331-K334 PolarHBondContact O-N 3.19Å
332K86.4Confident81.8Confident207 Ų20792.3 Ų92.390%0.950%0.499SS*.THydrogen-bonded Turntrans-52.4-26.2-174.8-62.1-175.4179.7-177.20114.4K334K332-K334 PolarHBondContact O-N 3.42Å
333S85.4Confident83.5Confident66 Ų6687.5 Ų87.546%0.46248%0.477SS..THydrogen-bonded Turntrans-77.93.8178.367.40000115.2G331 R336G331-S333 PolarHBondContact O-N 3.15Å; S333-R336 PolarHBondContact O-NH1 3.42Å
334K90.6Very high85.3Confident72 Ų7286.4 Ų86.431%0.31346%0.458SS..SBendtrans-128.5128.2177.5-52-64167.4-179.80109.1K313 L330 G331 K332K313-K334 PolarHBondContact NZ-O 3.31Å; L330-K334 HydrophobicContact CB-CB 3.85Å; L330-K334 HydrophobicContact CB-CG 4.11Å; L330-K334 HydrophobicContact CD1-CB 4.22Å; L330-K334 HydrophobicContact CD1-CG 4.42Å; G331-K334 PolarHBondContact O-N 3.19Å; K332-K334 PolarHBondContact O-N 3.42Å
335G85.9Confident86.9Confident37 Ų3784.2 Ų84.238%0.38144%0.443SS..SBendtrans69.462.4-166.400000111.5
336R88.8Confident88.7Confident70 Ų7081.7 Ų81.726%0.26442%0.422SS..PPolyproline II helixtrans-77.5146.7164.1-70.8176.5-177.565.8-4.5108T220 S224 S333 H338T220-R336 HydrophobicContact CG2-CB 4.09Å; S224-R336 VanDerWaalsContact OG-CZ 3.31Å; S224-R336 PolarHBondContact OG-NE 2.95Å; S224-R336 PolarHBondContact OG-NH2 3.27Å; S333-R336 PolarHBondContact O-NH1 3.42Å; R336-H338 PolarHBondContact O-CD2 3.04Å; R336-H338 PolarHBondContact O-N 2.91Å
337T89Confident90.3Very high131 Ų13179.9 Ų79.980%0.80441%0.413SS*.PPolyproline II helixtrans-52.3132.6155.5-40.90000108.5T220T220-T337 WeakPolarHBondContact CG2-O 3.16Å
338H91.4Very high91.5Very high51 Ų5179.2 Ų79.224%0.23641%0.405CS..PPolyproline II helixtrans-82.2156.2172.1-70.8-170.4000109.6I216 S217 R336I216-H338 HydrophobicContact CG2-CB 3.96Å; S217-H338 VanDerWaalsContact CB-CE1 3.48Å; S217-H338 WeakPolarHBondContact CB-CE1 3.17Å; S217-H338 VanDerWaalsContact CB-NE2 3.29Å; S217-H338 WeakPolarHBondContact CB-NE2 3.27Å; S217-H338 PolarHBondContact OG-NE2 3.11Å; R336-H338 PolarHBondContact O-CD2 3.04Å; R336-H338 PolarHBondContact O-N 2.91Å
339V90.7Very high92.1Very high47 Ų4772 Ų7229%0.28538%0.378SS..PPolyproline II helixtrans-56.8150159.9-71.30000109.8I216 Y219 L223 I341I216-V339 HydrophobicContact CG2-CG2 4.18Å; Y219-V339 HydrophobicContact CD1-CG2 3.85Å; Y219-V339 HydrophobicContact CE1-CG1 4.17Å; Y219-V339 HydrophobicContact CE1-CG2 3.78Å; L223-V339 HydrophobicContact CD2-CG1 3.74Å; V339-I341 HydrophobicContact CB-CD1 4.45Å; V339-I341 HydrophobicContact CG2-CD1 3.53Å; V339-I341 HydrophobicContact CG2-CG1 4.12Å
340Q93.4Very high92.6Very high177 Ų17772.4 Ų72.483%0.82738%0.375SS*.PPolyproline II helixtrans-74138.4163.7-57.6-53.2-81.900107.8
341I95.6Very high93Very high24 Ų2475.8 Ų75.812%0.12339%0.39CS..  trans-123.6144-179.5-61-58.2000106.1I216 F232 E233 V339 V345 I346I216-I341 HydrophobicContact CD1-CB 4.31Å; I216-I341 HydrophobicContact CD1-CG1 3.82Å; I216-I341 HydrophobicContact CG1-CG1 3.99Å; I216-I341 HydrophobicContact CG2-CG1 4.02Å; F232-I341 HydrophobicContact CB-CD1 3.47Å; F232-I341 VanDerWaalsContact CB-CD1 3.47Å; F232-I341 HydrophobicContact CD1-CD1 3.6Å; F232-I341 HydrophobicContact CD1-CG1 4.14Å; F232-I341 HydrophobicContact CD1-CG2 3.95Å; F232-I341 HydrophobicContact CE1-CG2 4.19Å; F232-I341 HydrophobicContact CG-CD1 3.64Å; F232-I341 HydrophobicContact CG-CG1 4.48Å; E233-I341 WeakPolarHBondContact OE1-CD1 3.31Å; V339-I341 HydrophobicContact CB-CD1 4.45Å; V339-I341 HydrophobicContact CG2-CD1 3.53Å; V339-I341 HydrophobicContact CG2-CG1 4.12Å; I341-V345 HydrophobicContact CG2-CB 4.05Å; I341-V345 HydrophobicContact CG2-CG1 3.61Å; I341-I346 HydrophobicContact CB-CD1 4.37Å; I341-I346 HydrophobicContact CB-CG1 4.24Å; I341-I346 HydrophobicContact CG2-CG1 3.86Å
342E95.6Very high93.5Very high102 Ų10275.6 Ų75.648%0.47738%0.376SS..  trans-63139.8178.9-68.2-178.3-115.500111.8R240 E344 V345 I346R240-E342 IonicContact CZ-OE1 3.31Å; R240-E342 IonicContact CZ-OE2 3.59Å; R240-E342 IonicContact NH1-OE1 3.06Å; R240-E342 PolarHBondContact NH1-OE1 3.25Å; R240-E342 IonicContact NH1-OE2 3.13Å; R240-E342 VanDerWaalsContact NH2-CD 3.29Å; R240-E342 IonicContact NH2-OE1 2.63Å; R240-E342 PolarHBondContact NH2-OE1 2.76Å; R240-E342 IonicContact NH2-OE2 2.7Å; R240-E342 PolarHBondContact NH2-OE2 2.94Å; E342-E344 VanDerWaalsContact C-N 3.32Å; E342-E344 PolarHBondContact O-N 3.02Å; E342-V345 HydrophobicContact CB-CB 4.44Å; E342-V345 HydrophobicContact CB-CG2 4.38Å; E342-V345 WeakPolarHBondContact O-CB 3.04Å; E342-V345 PolarHBondContact O-N 2.87Å; E342-I346 PolarHBondContact O-N 2.83Å; E342-I346 VanDerWaalsContact O-N 3.11Å
343Q96.3Very high94.1Very high110 Ų11065.8 Ų65.851%0.51433%0.334SS..Hα-helixtrans-62-38.9-174.7-179.358.727.700112.3V345 I346 E347Q343-V345 VanDerWaalsContact C-N 3.26Å; Q343-V345 PolarHBondContact O-N 2.82Å; Q343-I346 WeakPolarHBondContact O-CB 3.37Å; Q343-I346 PolarHBondContact O-N 2.93Å; Q343-I346 VanDerWaalsContact O-N 3.15Å; Q343-E347 WeakPolarHBondContact CG-OE1 3.5Å; Q343-E347 PolarHBondContact NE2-OE1 3.28Å; Q343-E347 WeakPolarHBondContact O-CG 3.45Å; Q343-E347 PolarHBondContact O-N 3.19Å
344E95.8Very high94.8Very high95 Ų9566.6 Ų66.644%0.44433%0.326SS..Hα-helixtrans-54.7-41.9171.9-179-166-125.200111.8R240 E342 E347 Q348R240-E344 IonicContact CZ-OE2 2.72Å; R240-E344 VanDerWaalsContact CZ-OE2 3.31Å; R240-E344 IonicContact NE-OE2 2.81Å; R240-E344 PolarHBondContact NE-OE2 3.3Å; R240-E344 IonicContact NH2-OE2 3.19Å; R240-E344 PolarHBondContact NH2-OE2 2.93Å; E342-E344 VanDerWaalsContact C-N 3.32Å; E342-E344 PolarHBondContact O-N 3.02Å; E344-E347 PolarHBondContact O-N 2.93Å; E344-Q348 HydrophobicContact CG-CG 4.41Å; E344-Q348 WeakPolarHBondContact O-CB 3.31Å; E344-Q348 VanDerWaalsContact O-CG 3.31Å; E344-Q348 WeakPolarHBondContact O-CG 3.31Å; E344-Q348 PolarHBondContact O-N 2.83Å
345V96.3Very high95.1Very high0 Ų067.1 Ų67.10%034%0.337CS..Hα-helixtrans-71-34.4-179.5162.70000111.6F232 E233 F237 I341 E342 Q343 L349F232-V345 HydrophobicContact CD1-CG1 4.2Å; F232-V345 HydrophobicContact CE1-CG1 4.08Å; E233-V345 HydrophobicContact CG-CG1 4.28Å; E233-V345 HydrophobicContact CG-CG2 3.96Å; F237-V345 HydrophobicContact CE2-CB 4.35Å; F237-V345 HydrophobicContact CE2-CG1 3.81Å; F237-V345 HydrophobicContact CE2-CG2 3.97Å; F237-V345 HydrophobicContact CZ-CG1 4.28Å; F237-V345 HydrophobicContact CZ-CG2 4.47Å; I341-V345 HydrophobicContact CG2-CB 4.05Å; I341-V345 HydrophobicContact CG2-CG1 3.61Å; E342-V345 HydrophobicContact CB-CB 4.44Å; E342-V345 HydrophobicContact CB-CG2 4.38Å; E342-V345 WeakPolarHBondContact O-CB 3.04Å; E342-V345 PolarHBondContact O-N 2.87Å; Q343-V345 VanDerWaalsContact C-N 3.26Å; Q343-V345 PolarHBondContact O-N 2.82Å; V345-L349 HydrophobicContact CG1-CD1 4.22Å; V345-L349 WeakPolarHBondContact O-CB 3.49Å; V345-L349 VanDerWaalsContact O-CG 3.27Å; V345-L349 WeakPolarHBondContact O-CG 3.48Å; V345-L349 PolarHBondContact O-N 3.25Å; V345-L349 VanDerWaalsContact O-N 3.14Å
346I97.1Very high95.7Very high41 Ų4167.8 Ų67.821%0.2133%0.33CS..Hα-helixtrans-63.6-47.4171.7-62.1175000109.5V212 I341 E342 Q343 L349 Q350V212-I346 HydrophobicContact CG1-CG2 4.24Å; I341-I346 HydrophobicContact CB-CD1 4.37Å; I341-I346 HydrophobicContact CB-CG1 4.24Å; I341-I346 HydrophobicContact CG2-CG1 3.86Å; E342-I346 PolarHBondContact O-N 2.83Å; E342-I346 VanDerWaalsContact O-N 3.11Å; Q343-I346 WeakPolarHBondContact O-CB 3.37Å; Q343-I346 PolarHBondContact O-N 2.93Å; Q343-I346 VanDerWaalsContact O-N 3.15Å; I346-L349 PolarHBondContact O-N 3.39Å; I346-Q350 WeakPolarHBondContact O-CG 3.42Å; I346-Q350 PolarHBondContact O-N 3Å
347E96.8Very high96.2Very high103 Ų10364.6 Ų64.648%0.48132%0.318SS..Hα-helixtrans-65.3-47.5-178.9-73.1166-174.100112.4Q343 E344 L349 Q350 E351Q343-E347 WeakPolarHBondContact CG-OE1 3.5Å; Q343-E347 PolarHBondContact NE2-OE1 3.28Å; Q343-E347 WeakPolarHBondContact O-CG 3.45Å; Q343-E347 PolarHBondContact O-N 3.19Å; E344-E347 PolarHBondContact O-N 2.93Å; E347-L349 VanDerWaalsContact C-N 3.26Å; E347-L349 PolarHBondContact O-N 3.02Å; E347-Q350 PolarHBondContact O-N 3.12Å; E347-Q350 VanDerWaalsContact O-N 3.12Å; E347-E351 WeakPolarHBondContact O-CB 3.32Å; E347-E351 PolarHBondContact O-N 3.28Å
348Q97.3Very high96.7Very high45 Ų4562 Ų6221%0.2130%0.298CS..Hα-helixtrans-56.3-39.4173.4-75.9-178.4-8.900112F237 R240 E344 F352F237-Q348 HydrophobicContact CE1-CB 4.05Å; F237-Q348 HydrophobicContact CZ-CB 3.93Å; R240-Q348 PolarHBondContact O-NE2 3.14Å; E344-Q348 HydrophobicContact CG-CG 4.41Å; E344-Q348 WeakPolarHBondContact O-CB 3.31Å; E344-Q348 VanDerWaalsContact O-CG 3.31Å; E344-Q348 WeakPolarHBondContact O-CG 3.31Å; E344-Q348 PolarHBondContact O-N 2.83Å; Q348-F352 WeakPolarHBondContact O-CB 3.43Å; Q348-F352 PolarHBondContact O-N 2.03Å
349L98.2Very high97Very high0 Ų064 Ų640%031%0.306CS..Hα-helixtrans-74.4-35.1176.3-71.6174.8000112.7V212 F232 A236 F237 V245 I252 V345 I346 E347 F352 Y353V212-L349 HydrophobicContact CG1-CB 4.07Å; V212-L349 HydrophobicContact CG1-CD1 4.24Å; V212-L349 HydrophobicContact CG2-CB 3.81Å; F232-L349 HydrophobicContact CE1-CD1 3.52Å; F232-L349 HydrophobicContact CZ-CD1 3.7Å; A236-L349 HydrophobicContact CB-CD1 4.44Å; F237-L349 HydrophobicContact CZ-CD2 4.32Å; F237-L349 HydrophobicContact CZ-CG 4.15Å; V245-L349 HydrophobicContact CG1-CD2 3.89Å; V245-L349 HydrophobicContact CG2-CD2 3.77Å; I252-L349 HydrophobicContact CD1-CD2 3.82Å; V345-L349 HydrophobicContact CG1-CD1 4.22Å; V345-L349 WeakPolarHBondContact O-CB 3.49Å; V345-L349 VanDerWaalsContact O-CG 3.27Å; V345-L349 WeakPolarHBondContact O-CG 3.48Å; V345-L349 PolarHBondContact O-N 3.25Å; V345-L349 VanDerWaalsContact O-N 3.14Å; I346-L349 PolarHBondContact O-N 3.39Å; E347-L349 VanDerWaalsContact C-N 3.26Å; E347-L349 PolarHBondContact O-N 3.02Å; L349-F352 PolarHBondContact O-N 3.41Å; L349-Y353 HydrophobicContact CB-CE2 4.47Å; L349-Y353 WeakPolarHBondContact O-CD2 3.29Å; L349-Y353 PolarHBondContact O-N 3.35Å
350Q98Very high97.4Very high56 Ų5661.9 Ų61.926%0.26229%0.293SS..Hα-helixtrans-61.3-46.9171.7-74.3178.1-87.500110.7V212 I346 E347 F352 Y353 R354V212-Q350 HydrophobicContact CG2-CG 3.9Å; I346-Q350 WeakPolarHBondContact O-CG 3.42Å; I346-Q350 PolarHBondContact O-N 3Å; E347-Q350 PolarHBondContact O-N 3.12Å; E347-Q350 VanDerWaalsContact O-N 3.12Å; Q350-F352 VanDerWaalsContact C-N 3.34Å; Q350-F352 PolarHBondContact O-N 3.12Å; Q350-Y353 PolarHBondContact O-N 3.32Å; Q350-R354 PolarHBondContact O-N 3.46Å
351E97.7Very high97.7Very high111 Ų11154.5 Ų54.552%0.51926%0.258SS..Hα-helixtrans-57.1-46.4176.2-160.162.5-144.500111.4E347 Y353 R354 P355E347-E351 WeakPolarHBondContact O-CB 3.32Å; E347-E351 PolarHBondContact O-N 3.28Å; E351-Y353 PolarHBondContact O-N 2.99Å; E351-R354 IonicContact OE1-CZ 3.8Å; E351-R354 IonicContact OE1-NH1 2.75Å; E351-R354 PolarHBondContact OE1-NH1 2.67Å; E351-R354 IonicContact OE2-CZ 3.19Å; E351-R354 IonicContact OE2-NH1 2.83Å; E351-R354 PolarHBondContact OE2-NH1 3.45Å; E351-R354 IonicContact OE2-NH2 2.7Å; E351-R354 PolarHBondContact OE2-NH2 3.47Å; E351-P355 WeakPolarHBondContact O-CD 3.32Å
352F98.3Very high97.8Very high43 Ų4360 Ų6019%0.18928%0.283CS..Hα-helixtrans-60.6-41.9175.1167.3-94.2000113.5V245 T247 I252 M256 Q348 L349 Q350 F356V245-F352 HydrophobicContact CB-CD2 3.85Å; V245-F352 HydrophobicContact CB-CE2 4.13Å; V245-F352 HydrophobicContact CB-CG 4.09Å; V245-F352 HydrophobicContact CG1-CD1 4.09Å; V245-F352 HydrophobicContact CG1-CD2 4.19Å; V245-F352 HydrophobicContact CG1-CE1 4.11Å; V245-F352 HydrophobicContact CG1-CE2 4.2Å; V245-F352 HydrophobicContact CG1-CG 4.15Å; V245-F352 HydrophobicContact CG1-CZ 4.17Å; V245-F352 HydrophobicContact CG2-CB 3.86Å; V245-F352 HydrophobicContact CG2-CD1 4.38Å; V245-F352 HydrophobicContact CG2-CD2 3.89Å; V245-F352 HydrophobicContact CG2-CG 3.76Å; T247-F352 HydrophobicContact CG2-CE2 3.73Å; T247-F352 HydrophobicContact CG2-CZ 3.61Å; I252-F352 HydrophobicContact CG2-CD1 4.47Å; I252-F352 HydrophobicContact CG2-CE1 3.59Å; I252-F352 HydrophobicContact CG2-CZ 3.98Å; M256-F352 HydrophobicContact CG-CE1 4.29Å; M256-F352 HydrophobicContact CG-CZ 4.33Å; M256-F352 HydrophobicContact SD-CE1 4.31Å; M256-F352 HydrophobicContact SD-CZ 3.76Å; Q348-F352 WeakPolarHBondContact O-CB 3.43Å; Q348-F352 PolarHBondContact O-N 2.03Å; L349-F352 PolarHBondContact O-N 3.41Å; Q350-F352 VanDerWaalsContact C-N 3.34Å; Q350-F352 PolarHBondContact O-N 3.12Å; F352-F356 HydrophobicContact CE1-CE2 4.34Å; F352-F356 HydrophobicContact CE2-CE2 4.09Å; F352-F356 AromaticContact CZ-CE2 3.9Å; F352-F356 HydrophobicContact CZ-CE2 3.9Å; F352-F356 WeakPolarHBondContact O-CD2 3.38Å; F352-F356 WeakPolarHBondContact O-CE2 3.31Å
353Y98.7Very high97.9Very high1 Ų157.3 Ų57.30%0.00427%0.273CS..Hα-helixtrans-79.5-27.9-178.2-76.2-64.3000113.9P211 V212 I252 M256 L349 Q350 E351 F356 N357P211-Y353 HydrophobicContact CB-CD1 3.57Å; P211-Y353 HydrophobicContact CB-CD2 3.6Å; P211-Y353 HydrophobicContact CB-CE1 3.58Å; P211-Y353 HydrophobicContact CB-CE2 3.63Å; P211-Y353 HydrophobicContact CB-CG 3.58Å; P211-Y353 HydrophobicContact CG-CD1 4.13Å; P211-Y353 HydrophobicContact CG-CG 4.15Å; V212-Y353 HydrophobicContact CG2-CD2 3.69Å; V212-Y353 HydrophobicContact CG2-CE2 4Å; I252-Y353 WeakPolarHBondContact CA-OH 2.9Å; I252-Y353 HydrophobicContact CG2-CE1 4.49Å; I252-Y353 PolarHBondContact O-OH 3.03Å; I252-Y353 VanDerWaalsContact O-OH 3.13Å; M256-Y353 HydrophobicContact CG-CD1 4.45Å; M256-Y353 HydrophobicContact CG-CE1 4.14Å; L349-Y353 HydrophobicContact CB-CE2 4.47Å; L349-Y353 WeakPolarHBondContact O-CD2 3.29Å; L349-Y353 PolarHBondContact O-N 3.35Å; Q350-Y353 PolarHBondContact O-N 3.32Å; E351-Y353 PolarHBondContact O-N 2.99Å; Y353-F356 CarbonylContact O-C 3.47Å; Y353-F356 WeakPolarHBondContact O-CA 3.47Å; Y353-F356 WeakPolarHBondContact O-CB 3.33Å; Y353-F356 PolarHBondContact O-N 2.68Å; Y353-N357 PolarHBondContact O-N 2.85Å
354R98.6Very high98Very high82 Ų8252.9 Ų52.931%0.30925%0.254SS..Hα-helixtrans-47.9-48-173.6-163.1-177.3-56.6116.38114.9Q350 E351 F356 N357 I358 D371Q350-R354 PolarHBondContact O-N 3.46Å; E351-R354 IonicContact OE1-CZ 3.8Å; E351-R354 IonicContact OE1-NH1 2.75Å; E351-R354 PolarHBondContact OE1-NH1 2.67Å; E351-R354 IonicContact OE2-CZ 3.19Å; E351-R354 IonicContact OE2-NH1 2.83Å; E351-R354 PolarHBondContact OE2-NH1 3.45Å; E351-R354 IonicContact OE2-NH2 2.7Å; E351-R354 PolarHBondContact OE2-NH2 3.47Å; R354-F356 VanDerWaalsContact C-N 3.31Å; R354-F356 PolarHBondContact O-N 2.98Å; R354-N357 WeakPolarHBondContact O-CB 3.36Å; R354-N357 PolarHBondContact O-N 2.88Å; R354-I358 HydrophobicContact CG-CD1 3.91Å; R354-I358 HydrophobicContact CG-CG1 4.35Å; R354-I358 WeakPolarHBondContact O-CG1 3.45Å; R354-I358 PolarHBondContact O-N 3.5Å; R354-D371 WeakPolarHBondContact CA-OD1 3.25Å; R354-D371 HydrophobicContact CG-CB 4.19Å
355P98.5Very high98.1Very high83 Ų8351.9 Ų51.954%0.53927%0.27SS..Hα-helixtrans-64.3-32.1177.624.4-34.6000113.6E351 K359E351-P355 WeakPolarHBondContact O-CD 3.32Å; P355-K359 PolarHBondContact O-N 3.18Å
356F98.7Very high98.2Very high52 Ų5254.8 Ų54.823%0.22828%0.283CS..Hα-helixtrans-74.5-33.7174-57.4-79.3000112.1M256 I258 L259 F352 Y353 R354 F360M256-F356 HydrophobicContact CB-CD1 4.3Å; M256-F356 HydrophobicContact CB-CG 4.41Å; M256-F356 HydrophobicContact CG-CD1 4.43Å; M256-F356 HydrophobicContact CG-CD2 4.29Å; M256-F356 HydrophobicContact CG-CE2 4.37Å; M256-F356 HydrophobicContact CG-CG 4.32Å; M256-F356 HydrophobicContact CG-CZ 4.49Å; M256-F356 HydrophobicContact SD-CD1 4.42Å; M256-F356 HydrophobicContact SD-CD2 4.44Å; M256-F356 HydrophobicContact SD-CE1 3.93Å; M256-F356 HydrophobicContact SD-CE2 3.95Å; M256-F356 HydrophobicContact SD-CZ 3.67Å; I258-F356 HydrophobicContact CG2-CB 4.06Å; I258-F356 HydrophobicContact CG2-CD1 3.97Å; L259-F356 HydrophobicContact CD1-CD1 4.38Å; L259-F356 HydrophobicContact CD1-CE1 3.96Å; L259-F356 HydrophobicContact CD2-CD1 4.47Å; L259-F356 HydrophobicContact CD2-CE1 4.29Å; L259-F356 HydrophobicContact CG-CD1 4.25Å; L259-F356 HydrophobicContact CG-CE1 4.22Å; F352-F356 HydrophobicContact CE1-CE2 4.34Å; F352-F356 HydrophobicContact CE2-CE2 4.09Å; F352-F356 AromaticContact CZ-CE2 3.9Å; F352-F356 HydrophobicContact CZ-CE2 3.9Å; F352-F356 WeakPolarHBondContact O-CD2 3.38Å; F352-F356 WeakPolarHBondContact O-CE2 3.31Å; Y353-F356 CarbonylContact O-C 3.47Å; Y353-F356 WeakPolarHBondContact O-CA 3.47Å; Y353-F356 WeakPolarHBondContact O-CB 3.33Å; Y353-F356 PolarHBondContact O-N 2.68Å; R354-F356 VanDerWaalsContact C-N 3.31Å; R354-F356 PolarHBondContact O-N 2.98Å; F356-F360 VanDerWaalsContact O-CB 3.22Å; F356-F360 WeakPolarHBondContact O-CB 3.02Å; F356-F360 PolarHBondContact O-N 2.96Å
357N98.8Very high98.2Very high3 Ų356.4 Ų56.42%0.01629%0.292CS..Hα-helixtrans-67.6-50.4177-69-17.1000111.2P211 Y353 R354 K359 F360 Y361 D371P211-N357 WeakPolarHBondContact CG-OD1 3.37Å; Y353-N357 PolarHBondContact O-N 2.85Å; R354-N357 WeakPolarHBondContact O-CB 3.36Å; R354-N357 PolarHBondContact O-N 2.88Å; N357-K359 PolarHBondContact O-N 2.88Å; N357-F360 WeakPolarHBondContact O-CA 3.01Å; N357-F360 WeakPolarHBondContact O-CB 3.4Å; N357-F360 PolarHBondContact O-N 3Å; N357-F360 VanDerWaalsContact O-N 3.11Å; N357-Y361 HydrophobicContact CB-CE1 4.45Å; N357-Y361 HydrophobicContact CB-CE2 4.01Å; N357-Y361 WeakPolarHBondContact O-CD1 3.22Å; N357-Y361 WeakPolarHBondContact O-CD2 3.36Å; N357-Y361 PolarHBondContact O-N 3.33Å; N357-D371 VanDerWaalsContact CB-OD2 3.28Å; N357-D371 WeakPolarHBondContact CB-OD2 3.46Å; N357-D371 PolarHBondContact ND2-OD1 3.31Å; N357-D371 PolarHBondContact ND2-OD2 3.43Å
358I98.6Very high98.2Very high76 Ų7652.1 Ų52.139%0.3927%0.272SS..Hα-helixtrans-55.3-54.2177.4-68.4168.1000110.2R354 F360 Y361 E362R354-I358 HydrophobicContact CG-CD1 3.91Å; R354-I358 HydrophobicContact CG-CG1 4.35Å; R354-I358 WeakPolarHBondContact O-CG1 3.45Å; R354-I358 PolarHBondContact O-N 3.5Å; I358-F360 PolarHBondContact O-N 2.68Å; I358-Y361 WeakPolarHBondContact O-CB 3.45Å; I358-Y361 PolarHBondContact O-N 2.74Å; I358-E362 HydrophobicContact CG2-CG 4.44Å; I358-E362 WeakPolarHBondContact O-CG 3.46Å; I358-E362 PolarHBondContact O-N 3.12Å
359K98.7Very high98.2Very high94 Ų9457.6 Ų57.641%0.40930%0.295SS..Hα-helixtrans-61.2-33.4179.1-164.5-175.4176.8-1650112.3I258 E262 P355 N357 T363I258-K359 HydrophobicContact CD1-CG 4.43Å; I258-K359 HydrophobicContact CG1-CB 4.31Å; I258-K359 HydrophobicContact CG1-CD 3.86Å; I258-K359 HydrophobicContact CG1-CG 3.94Å; E262-K359 IonicContact OE1-NZ 3.81Å; E262-K359 PolarHBondContact OE1-NZ 3.07Å; P355-K359 PolarHBondContact O-N 3.18Å; N357-K359 PolarHBondContact O-N 2.88Å; K359-T363 VanDerWaalsContact O-CB 3.27Å; K359-T363 WeakPolarHBondContact O-CB 3.49Å; K359-T363 PolarHBondContact O-N 3.23Å; K359-T363 VanDerWaalsContact O-N 3.07Å; K359-T363 PolarHBondContact O-OG1 3.44Å
360F98.8Very high98.1Very high1 Ų158.1 Ų58.10%0.00430%0.297CS..Hα-helixtrans-65.2-48.5172.7176.5-103.6000111.6V208 I258 L261 F275 F356 N357 I358 E362 T363 V364 F368 W370V208-F360 HydrophobicContact CG1-CE1 4.32Å; V208-F360 HydrophobicContact CG1-CZ 3.84Å; V208-F360 HydrophobicContact CG2-CE1 4.48Å; I258-F360 HydrophobicContact CB-CB 4.19Å; L261-F360 HydrophobicContact CD2-CD2 3.97Å; L261-F360 HydrophobicContact CD2-CE2 3.97Å; F275-F360 HydrophobicContact CD1-CE2 4.09Å; F275-F360 AromaticContact CD1-CZ 3.69Å; F275-F360 HydrophobicContact CD1-CZ 3.69Å; F275-F360 HydrophobicContact CE1-CE2 4.01Å; F275-F360 HydrophobicContact CE1-CZ 4.1Å; F275-F360 HydrophobicContact CG-CZ 4.34Å; F356-F360 VanDerWaalsContact O-CB 3.22Å; F356-F360 WeakPolarHBondContact O-CB 3.02Å; F356-F360 PolarHBondContact O-N 2.96Å; N357-F360 WeakPolarHBondContact O-CA 3.01Å; N357-F360 WeakPolarHBondContact O-CB 3.4Å; N357-F360 PolarHBondContact O-N 3Å; N357-F360 VanDerWaalsContact O-N 3.11Å; I358-F360 PolarHBondContact O-N 2.68Å; F360-E362 PolarHBondContact O-N 2.91Å; F360-T363 PolarHBondContact O-N 2.76Å; F360-V364 HydrophobicContact CD2-CG1 4.1Å; F360-V364 HydrophobicContact CE1-CG2 4.17Å; F360-V364 HydrophobicContact CE2-CG1 3.69Å; F360-V364 HydrophobicContact CZ-CG1 3.95Å; F360-V364 HydrophobicContact CZ-CG2 4.26Å; F360-V364 WeakPolarHBondContact O-CG2 3.22Å; F360-V364 PolarHBondContact O-N 3.48Å; F360-F368 AromaticContact CE1-CD2 4Å; F360-F368 HydrophobicContact CE1-CD2 4Å; F360-F368 AromaticContact CE1-CE2 3.75Å; F360-F368 HydrophobicContact CE1-CE2 3.75Å; F360-F368 HydrophobicContact CE1-CZ 4.45Å; F360-F368 HydrophobicContact CZ-CE2 4.49Å; F360-W370 HydrophobicContact CD1-CH2 4.19Å; F360-W370 HydrophobicContact CD1-CZ3 4.09Å; F360-W370 AromaticContact CE1-CH2 3.9Å; F360-W370 HydrophobicContact CE1-CH2 3.9Å; F360-W370 HydrophobicContact CE1-CZ3 4.28Å
361Y98.6Very high97.3Very high23 Ų2360 Ų609%0.0931%0.309CS..Hα-helixtrans-58.9-46.3179-55.3-29.2000112.4N357 I358 V364 G365 Q366 D367 F368 W370 D371N357-Y361 HydrophobicContact CB-CE1 4.45Å; N357-Y361 HydrophobicContact CB-CE2 4.01Å; N357-Y361 WeakPolarHBondContact O-CD1 3.22Å; N357-Y361 WeakPolarHBondContact O-CD2 3.36Å; N357-Y361 PolarHBondContact O-N 3.33Å; I358-Y361 WeakPolarHBondContact O-CB 3.45Å; I358-Y361 PolarHBondContact O-N 2.74Å; Y361-V364 PolarHBondContact O-N 3.11Å; Y361-G365 WeakPolarHBondContact O-CA 3.13Å; Y361-G365 PolarHBondContact O-N 2.93Å; Y361-Q366 WeakPolarHBondContact CA-O 3.04Å; Y361-Q366 WeakPolarHBondContact CD1-O 3.37Å; Y361-Q366 PolarHBondContact O-N 2.76Å; Y361-Q366 VanDerWaalsContact O-N 3.15Å; Y361-D367 HydrophobicContact CG-CB 4.49Å; Y361-F368 AromaticContact CD1-CD2 3.8Å; Y361-F368 HydrophobicContact CD1-CD2 3.8Å; Y361-F368 HydrophobicContact CE1-CB 3.81Å; Y361-F368 AromaticContact CE1-CD2 3.86Å; Y361-F368 HydrophobicContact CE1-CD2 3.86Å; Y361-F368 HydrophobicContact CE1-CG 4.31Å; Y361-W370 HydrophobicContact CE1-CD2 4.31Å; Y361-W370 AromaticContact CE1-CE3 3.72Å; Y361-W370 HydrophobicContact CE1-CE3 3.72Å; Y361-W370 HydrophobicContact CE1-CH2 4.43Å; Y361-W370 AromaticContact CE1-CZ3 3.78Å; Y361-W370 HydrophobicContact CE1-CZ3 3.78Å; Y361-W370 AromaticContact CZ-CE3 3.89Å; Y361-W370 WeakPolarHBondContact OH-CB 3.37Å; Y361-W370 PolarHBondContact OH-N 3.23Å; Y361-D371 WeakPolarHBondContact CE2-OD2 2.99Å; Y361-D371 PolarHBondContact OH-OD2 3.47Å
362E98.4Very high97.3Very high140 Ų14057.5 Ų57.565%0.65430%0.298SS*.Hα-helixtrans-57.9-48174.9-68.7169.6161.500111.1I358 F360 V364 G365I358-E362 HydrophobicContact CG2-CG 4.44Å; I358-E362 WeakPolarHBondContact O-CG 3.46Å; I358-E362 PolarHBondContact O-N 3.12Å; F360-E362 PolarHBondContact O-N 2.91Å; E362-V364 PolarHBondContact O-N 3.07Å; E362-G365 PolarHBondContact O-N 3.31Å
363T98.6Very high97.2Very high44 Ų4458.2 Ų58.227%0.2730%0.304SS..Hα-helixtrans-66.9-33.8-177.2-58.20000112.9I258 L261 L265 L270 K359 F360I258-T363 HydrophobicContact CD1-CG2 3.92Å; I258-T363 WeakPolarHBondContact CD1-OG1 3.09Å; L261-T363 HydrophobicContact CD2-CG2 3.71Å; L261-T363 HydrophobicContact CG-CG2 4.47Å; L265-T363 HydrophobicContact CD1-CG2 3.7Å; L270-T363 WeakPolarHBondContact CD2-O 3.14Å; K359-T363 VanDerWaalsContact O-CB 3.27Å; K359-T363 WeakPolarHBondContact O-CB 3.49Å; K359-T363 PolarHBondContact O-N 3.23Å; K359-T363 VanDerWaalsContact O-N 3.07Å; K359-T363 PolarHBondContact O-OG1 3.44Å; F360-T363 PolarHBondContact O-N 2.76Å
364V98.2Very high97.1Very high17 Ų1761.4 Ų61.410%0.10332%0.321CS..Hα-helixtrans-97.3-4.5-179.7-52.30000114.3L261 L270 F275 F360 Y361 E362 Q366 F368L261-V364 HydrophobicContact CD2-CG1 3.51Å; L270-V364 HydrophobicContact CD1-CG1 4.3Å; F275-V364 HydrophobicContact CD1-CG1 4.27Å; F275-V364 HydrophobicContact CD2-CB 3.87Å; F275-V364 HydrophobicContact CD2-CG1 3.83Å; F275-V364 HydrophobicContact CE1-CG1 4.03Å; F275-V364 HydrophobicContact CE2-CB 3.99Å; F275-V364 HydrophobicContact CE2-CG1 3.58Å; F275-V364 HydrophobicContact CG-CB 4.38Å; F275-V364 HydrophobicContact CG-CG1 4.18Å; F275-V364 HydrophobicContact CZ-CG1 3.69Å; F360-V364 HydrophobicContact CD2-CG1 4.1Å; F360-V364 HydrophobicContact CE1-CG2 4.17Å; F360-V364 HydrophobicContact CE2-CG1 3.69Å; F360-V364 HydrophobicContact CZ-CG1 3.95Å; F360-V364 HydrophobicContact CZ-CG2 4.26Å; F360-V364 WeakPolarHBondContact O-CG2 3.22Å; F360-V364 PolarHBondContact O-N 3.48Å; Y361-V364 PolarHBondContact O-N 3.11Å; E362-V364 PolarHBondContact O-N 3.07Å; V364-Q366 VanDerWaalsContact C-N 3.25Å; V364-Q366 HydrophobicContact CG2-CB 4.1Å; V364-Q366 PolarHBondContact O-N 3.47Å; V364-F368 HydrophobicContact CG2-CE2 3.95Å
365G97.9Very high97.1Very high75 Ų7560.2 Ų60.277%0.77332%0.322SS*.THydrogen-bonded Turntrans66.422.5-176.900000114.3Y361 E362Y361-G365 WeakPolarHBondContact O-CA 3.13Å; Y361-G365 PolarHBondContact O-N 2.93Å; E362-G365 PolarHBondContact O-N 3.31Å
366Q97.1Very high97Very high60 Ų6058.8 Ų58.828%0.2831%0.308SS..  trans-145.4121.3-177-179.2-179.9-23.900111.3Y361 V364 F368Y361-Q366 WeakPolarHBondContact CA-O 3.04Å; Y361-Q366 WeakPolarHBondContact CD1-O 3.37Å; Y361-Q366 PolarHBondContact O-N 2.76Å; Y361-Q366 VanDerWaalsContact O-N 3.15Å; V364-Q366 VanDerWaalsContact C-N 3.25Å; V364-Q366 HydrophobicContact CG2-CB 4.1Å; V364-Q366 PolarHBondContact O-N 3.47Å; Q366-F368 HydrophobicContact CB-CE2 3.87Å; Q366-F368 HydrophobicContact CB-CZ 4.27Å; Q366-F368 HydrophobicContact CG-CD2 4.2Å; Q366-F368 HydrophobicContact CG-CE1 4.49Å; Q366-F368 HydrophobicContact CG-CE2 3.68Å; Q366-F368 HydrophobicContact CG-CZ 3.83Å; Q366-F368 WeakPolarHBondContact O-CD2 3.43Å; Q366-F368 VanDerWaalsContact O-CE2 3.24Å; Q366-F368 WeakPolarHBondContact O-CE2 3.36Å
367D97.5Very high96.9Very high76 Ų7659.2 Ų59.241%0.40631%0.313SS..  trans-82.5131.2169.4-177.8-18.8000110.1Y361 K369Y361-D367 HydrophobicContact CG-CB 4.49Å; D367-K369 WeakPolarHBondContact OD1-CD 3.16Å; D367-K369 PolarHBondContact OD1-N 3.44Å; D367-K369 IonicContact OD1-NZ 2.73Å; D367-K369 WeakPolarHBondContact OD2-CE 3.39Å; D367-K369 IonicContact OD2-NZ 3.48Å; D367-K369 PolarHBondContact OD2-NZ 3.47Å
368F97.7Very high96.7Very high13 Ų1363.2 Ų63.26%0.05733%0.334CS..  trans-103.9-0.4-178.5-68.5-101.4000114.3V208 F275 F360 Y361 V364 Q366 W370V208-F368 HydrophobicContact CG2-CD1 3.64Å; V208-F368 HydrophobicContact CG2-CE1 3.31Å; V208-F368 HydrophobicContact CG2-CE2 4.41Å; V208-F368 HydrophobicContact CG2-CG 4.34Å; V208-F368 HydrophobicContact CG2-CZ 3.76Å; F275-F368 HydrophobicContact CB-CE1 4.46Å; F275-F368 HydrophobicContact CB-CE2 4.47Å; F275-F368 HydrophobicContact CB-CZ 3.65Å; F360-F368 AromaticContact CE1-CD2 4Å; F360-F368 HydrophobicContact CE1-CD2 4Å; F360-F368 AromaticContact CE1-CE2 3.75Å; F360-F368 HydrophobicContact CE1-CE2 3.75Å; F360-F368 HydrophobicContact CE1-CZ 4.45Å; F360-F368 HydrophobicContact CZ-CE2 4.49Å; Y361-F368 AromaticContact CD1-CD2 3.8Å; Y361-F368 HydrophobicContact CD1-CD2 3.8Å; Y361-F368 HydrophobicContact CE1-CB 3.81Å; Y361-F368 AromaticContact CE1-CD2 3.86Å; Y361-F368 HydrophobicContact CE1-CD2 3.86Å; Y361-F368 HydrophobicContact CE1-CG 4.31Å; V364-F368 HydrophobicContact CG2-CE2 3.95Å; Q366-F368 HydrophobicContact CB-CE2 3.87Å; Q366-F368 HydrophobicContact CB-CZ 4.27Å; Q366-F368 HydrophobicContact CG-CD2 4.2Å; Q366-F368 HydrophobicContact CG-CE1 4.49Å; Q366-F368 HydrophobicContact CG-CE2 3.68Å; Q366-F368 HydrophobicContact CG-CZ 3.83Å; Q366-F368 WeakPolarHBondContact O-CD2 3.43Å; Q366-F368 VanDerWaalsContact O-CE2 3.24Å; Q366-F368 WeakPolarHBondContact O-CE2 3.36Å; F368-W370 HydrophobicContact CB-CD2 3.84Å; F368-W370 HydrophobicContact CB-CE3 4.39Å; F368-W370 HydrophobicContact CB-CG 4.31Å; F368-W370 HydrophobicContact CB-CH2 4.02Å; F368-W370 HydrophobicContact CB-CZ2 3.44Å; F368-W370 VanDerWaalsContact CB-CZ2 3.44Å; F368-W370 HydrophobicContact CB-CZ3 4.47Å; F368-W370 HydrophobicContact CD1-CH2 4.45Å; F368-W370 AromaticContact CD1-CZ2 3.83Å; F368-W370 HydrophobicContact CD1-CZ2 3.83Å; F368-W370 HydrophobicContact CD2-CH2 4.28Å; F368-W370 HydrophobicContact CD2-CZ2 4.34Å; F368-W370 AromaticContact CG-CH2 3.99Å; F368-W370 HydrophobicContact CG-CH2 3.99Å; F368-W370 AromaticContact CG-CZ2 3.61Å; F368-W370 HydrophobicContact CG-CZ2 3.61Å
369K96.2Very high96.6Very high160 Ų16062.2 Ų62.270%0.69633%0.33SS*.  trans54.652.9177.2-55.2-62.2178.8-168.70113.3D367D367-K369 WeakPolarHBondContact OD1-CD 3.16Å; D367-K369 PolarHBondContact OD1-N 3.44Å; D367-K369 IonicContact OD1-NZ 2.73Å; D367-K369 WeakPolarHBondContact OD2-CE 3.39Å; D367-K369 IonicContact OD2-NZ 3.48Å; D367-K369 PolarHBondContact OD2-NZ 3.47Å
370W96.9Very high96.4Very high11 Ų1159.6 Ų59.64%0.04232%0.324CS..  trans-97.2-8173.2-54.7-32.4000114.1V208 R209 N210 P211 Y257 E279 F360 Y361 F368V208-W370 HydrophobicContact CB-CH2 3.76Å; V208-W370 HydrophobicContact CB-CZ2 3.84Å; V208-W370 HydrophobicContact CG2-CH2 3.83Å; V208-W370 HydrophobicContact CG2-CZ2 3.7Å; R209-W370 VanDerWaalsContact C-CE2 3.43Å; N210-W370 VanDerWaalsContact CA-CG 3.49Å; N210-W370 HydrophobicContact CB-CB 3.98Å; N210-W370 HydrophobicContact CB-CD2 4.39Å; N210-W370 HydrophobicContact CB-CG 3.71Å; N210-W370 VanDerWaalsContact N-CE2 3.35Å; N210-W370 VanDerWaalsContact N-NE1 3.14Å; N210-W370 PolarHBondContact ND2-O 3.4Å; P211-W370 HydrophobicContact CG-CE3 4.28Å; P211-W370 HydrophobicContact CG-CZ3 4.45Å; Y257-W370 AromaticContact CD2-CH2 3.74Å; Y257-W370 HydrophobicContact CD2-CH2 3.74Å; Y257-W370 AromaticContact CD2-CZ3 3.71Å; Y257-W370 HydrophobicContact CD2-CZ3 3.71Å; Y257-W370 AromaticContact CE2-CH2 3.5Å; Y257-W370 HydrophobicContact CE2-CH2 3.5Å; Y257-W370 HydrophobicContact CE2-CZ2 4.32Å; Y257-W370 AromaticContact CE2-CZ3 3.64Å; Y257-W370 HydrophobicContact CE2-CZ3 3.64Å; E279-W370 PolarHBondContact OE2-NE1 3.42Å; F360-W370 HydrophobicContact CD1-CH2 4.19Å; F360-W370 HydrophobicContact CD1-CZ3 4.09Å; F360-W370 AromaticContact CE1-CH2 3.9Å; F360-W370 HydrophobicContact CE1-CH2 3.9Å; F360-W370 HydrophobicContact CE1-CZ3 4.28Å; Y361-W370 HydrophobicContact CE1-CD2 4.31Å; Y361-W370 AromaticContact CE1-CE3 3.72Å; Y361-W370 HydrophobicContact CE1-CE3 3.72Å; Y361-W370 HydrophobicContact CE1-CH2 4.43Å; Y361-W370 AromaticContact CE1-CZ3 3.78Å; Y361-W370 HydrophobicContact CE1-CZ3 3.78Å; Y361-W370 AromaticContact CZ-CE3 3.89Å; Y361-W370 WeakPolarHBondContact OH-CB 3.37Å; Y361-W370 PolarHBondContact OH-N 3.23Å; F368-W370 HydrophobicContact CB-CD2 3.84Å; F368-W370 HydrophobicContact CB-CE3 4.39Å; F368-W370 HydrophobicContact CB-CG 4.31Å; F368-W370 HydrophobicContact CB-CH2 4.02Å; F368-W370 HydrophobicContact CB-CZ2 3.44Å; F368-W370 VanDerWaalsContact CB-CZ2 3.44Å; F368-W370 HydrophobicContact CB-CZ3 4.47Å; F368-W370 HydrophobicContact CD1-CH2 4.45Å; F368-W370 AromaticContact CD1-CZ2 3.83Å; F368-W370 HydrophobicContact CD1-CZ2 3.83Å; F368-W370 HydrophobicContact CD2-CH2 4.28Å; F368-W370 HydrophobicContact CD2-CZ2 4.34Å; F368-W370 AromaticContact CG-CH2 3.99Å; F368-W370 HydrophobicContact CG-CH2 3.99Å; F368-W370 AromaticContact CG-CZ2 3.61Å; F368-W370 HydrophobicContact CG-CZ2 3.61Å
371D80.9Confident96.2Very high95 Ų9564.9 Ų64.951%0.50835%0.353SS..  trans-1280-170.7-46.4-92.4000110.2R354 N357 Y361R354-D371 WeakPolarHBondContact CA-OD1 3.25Å; R354-D371 HydrophobicContact CG-CB 4.19Å; N357-D371 VanDerWaalsContact CB-OD2 3.28Å; N357-D371 WeakPolarHBondContact CB-OD2 3.46Å; N357-D371 PolarHBondContact ND2-OD1 3.31Å; N357-D371 PolarHBondContact ND2-OD2 3.43Å; Y361-D371 WeakPolarHBondContact CE2-OD2 2.99Å; Y361-D371 PolarHBondContact OH-OD2 3.47Å

Retrieved 371 of 371 residues in 257.2 ms (Link to these results)

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