A0A096NH37_PAPAN Loading...

ER membrane protein complex subunit 3

AlphaFold DB (Q5R7C1), UniProt , Accession A0A096NH37, Species PAPAN (Papio anubis, Olive baboon), Gene EMC3, Length 261 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
1M40.8Very low67.1Low243 Ų243113.5 Ų113.5100%1.19766%0.664SS**  01090-68.2176.2179.700106.5G3M1-G3 PolarHBondContact O-N 3.01Å; M1-G3 VanDerWaalsContact O-N 3.08Å
2A54.6Low68.7Low106 Ų106105.8 Ų105.888%0.87662%0.617SS**  trans-63.6111.217400000106.8
3G52Low69.9Low53 Ų53110.5 Ų110.555%0.54662%0.618SS.*  trans-57160.5170.200000109.9M1 E5M1-G3 PolarHBondContact O-N 3.01Å; M1-G3 VanDerWaalsContact O-N 3.08Å; G3-E5 PolarHBondContact O-N 3.14Å
4P56.3Low71.1Confident130 Ų130110.5 Ų110.584%0.84462%0.615SS**  trans-48.3129.4-177.618.7-30.3000110.2L6P4-L6 PolarHBondContact O-N 3.28Å
5E65.7Low72.3Confident154 Ų154115.7 Ų115.772%0.7262%0.622SS**  trans-57.2112.4179.2-73.4-163.5142.400108.4G3 L7G3-E5 PolarHBondContact O-N 3.14Å; E5-L7 PolarHBondContact O-N 2.97Å
6L69.4Low73.3Confident83 Ų83108.9 Ų108.944%0.43559%0.586SS.*  trans-64.2109.9178.4-154.1118.9000107.3P4 L8 L161 W165P4-L6 PolarHBondContact O-N 3.28Å; L6-L8 HydrophobicContact CD2-CD2 4.22Å; L6-L8 PolarHBondContact O-N 3.19Å; L6-L161 HydrophobicContact CD1-CD1 4.26Å; L6-W165 HydrophobicContact CB-CH2 4.1Å; L6-W165 HydrophobicContact CB-CZ2 3.55Å; L6-W165 WeakPolarHBondContact O-CH2 3.28Å
7L73.8Confident74.3Confident161 Ų161104 Ų10484%0.84356%0.56SS**  trans-76.4107.3176.2-65.9177.3000108.1E5E5-L7 PolarHBondContact O-N 2.97Å
8L74.3Confident75.3Confident50 Ų50102.8 Ų102.826%0.26255%0.553SS.*  trans-76.1134.4171.9-75.4174.1000109.9L6 S10 V136 W165L6-L8 HydrophobicContact CD2-CD2 4.22Å; L6-L8 PolarHBondContact O-N 3.19Å; L8-S10 PolarHBondContact O-N 3.23Å; L8-V136 HydrophobicContact CD2-CB 4.17Å; L8-V136 HydrophobicContact CD2-CG1 4.27Å; L8-V136 VanDerWaalsContact CD2-O 3.29Å; L8-V136 WeakPolarHBondContact CD2-O 3.47Å; L8-W165 HydrophobicContact CD1-CE3 4.24Å; L8-W165 HydrophobicContact CD1-CH2 4.17Å; L8-W165 HydrophobicContact CD1-CZ3 3.4Å; L8-W165 VanDerWaalsContact CD1-CZ3 3.4Å; L8-W165 HydrophobicContact CG-CH2 4.2Å; L8-W165 HydrophobicContact CG-CZ3 3.82Å
9D81.7Confident76.1Confident101 Ų10199.5 Ų99.554%0.5454%0.537SS..  trans-59.5125.2166-177.2-3.4000109N11 I12D9-N11 PolarHBondContact O-N 3.03Å; D9-N11 VanDerWaalsContact O-N 3.14Å; D9-N11 WeakPolarHBondContact OD1-CB 3.45Å; D9-N11 PolarHBondContact OD1-N 2.96Å; D9-N11 PolarHBondContact OD1-ND2 3.22Å; D9-N11 VanDerWaalsContact OD1-ND2 3.15Å; D9-N11 PolarHBondContact OD2-ND2 2.96Å; D9-I12 WeakPolarHBondContact O-CB 3.09Å; D9-I12 WeakPolarHBondContact O-CG2 3.42Å; D9-I12 PolarHBondContact O-N 3.08Å; D9-I12 VanDerWaalsContact O-N 3.08Å
10S83Confident76.9Confident85 Ų8594.7 Ų94.759%0.59451%0.512SS*.THydrogen-bonded Turntrans-58.8-27179.2-68.80000112.5L8 I12 R13L8-S10 PolarHBondContact O-N 3.23Å; S10-I12 PolarHBondContact O-N 3.31Å; S10-R13 WeakPolarHBondContact O-CB 3.41Å; S10-R13 PolarHBondContact O-N 3.15Å
11N86.5Confident77.5Confident83 Ų8392.1 Ų92.144%0.44450%0.499SS..Hα-helixtrans-60.7-27.7177.5-68.9-39.1000112.8D9 R13 L14 W15D9-N11 PolarHBondContact O-N 3.03Å; D9-N11 VanDerWaalsContact O-N 3.14Å; D9-N11 WeakPolarHBondContact OD1-CB 3.45Å; D9-N11 PolarHBondContact OD1-N 2.96Å; D9-N11 PolarHBondContact OD1-ND2 3.22Å; D9-N11 VanDerWaalsContact OD1-ND2 3.15Å; D9-N11 PolarHBondContact OD2-ND2 2.96Å; N11-R13 PolarHBondContact O-N 3.23Å; N11-R13 VanDerWaalsContact O-N 3.12Å; N11-L14 PolarHBondContact O-N 3.12Å; N11-W15 PolarHBondContact O-N 3.08Å
12I85.9Confident80Confident20 Ų2084.2 Ų84.210%0.10346%0.461CS..Hα-helixtrans-59.2-29178.9-156.2160.4000112.5D9 S10 V16 V17 F135 V136D9-I12 WeakPolarHBondContact O-CB 3.09Å; D9-I12 WeakPolarHBondContact O-CG2 3.42Å; D9-I12 PolarHBondContact O-N 3.08Å; D9-I12 VanDerWaalsContact O-N 3.08Å; S10-I12 PolarHBondContact O-N 3.31Å; I12-V16 HydrophobicContact CG1-CB 3.93Å; I12-V16 HydrophobicContact CG1-CG2 3.71Å; I12-V16 WeakPolarHBondContact O-CA 3.34Å; I12-V16 VanDerWaalsContact O-CB 3.31Å; I12-V16 WeakPolarHBondContact O-CB 3.29Å; I12-V16 PolarHBondContact O-N 2.97Å; I12-V17 PolarHBondContact O-N 2.9Å; I12-V17 VanDerWaalsContact O-N 3.13Å; I12-F135 HydrophobicContact CD1-CB 4.24Å; I12-F135 HydrophobicContact CD1-CD1 3.72Å; I12-F135 HydrophobicContact CD1-CG 4.43Å; I12-F135 HydrophobicContact CG1-CD1 4.46Å; I12-V136 WeakPolarHBondContact CD1-O 3.23Å
13R84.3Confident81.7Confident168 Ų16882.4 Ų82.463%0.63444%0.435SS*.Iπ-helixtrans-67.5-38.5178.3-62.8-178-179-177.81.8111.6S10 N11 V17 L18S10-R13 WeakPolarHBondContact O-CB 3.41Å; S10-R13 PolarHBondContact O-N 3.15Å; N11-R13 PolarHBondContact O-N 3.23Å; N11-R13 VanDerWaalsContact O-N 3.12Å; R13-V17 WeakPolarHBondContact O-CB 3.43Å; R13-L18 WeakPolarHBondContact O-CB 3.35Å; R13-L18 PolarHBondContact O-N 3.29Å
14L87Confident83.4Confident110 Ų11080.1 Ų80.158%0.57641%0.411SS*.Iπ-helixtrans-84-33.1-179.3-69.5172.1000112.3N11 L18 P19N11-L14 PolarHBondContact O-N 3.12Å; L14-L18 HydrophobicContact CD2-CD2 4.22Å; L14-P19 VanDerWaalsContact O-CD 3.27Å; L14-P19 WeakPolarHBondContact O-CD 3.49Å
15W88.8Confident85Confident189 Ų18976.3 Ų76.372%0.71638%0.381SS*.Iπ-helixtrans-96.4-20.5-174-69.1106.2000114.9N11 P19N11-W15 PolarHBondContact O-N 3.08Å; W15-P19 WeakPolarHBondContact O-CG 3.45Å
16V88.7Confident86.2Confident7 Ų774.5 Ų74.54%0.04237%0.371CS..Iπ-helixtrans-120.3-55-179.1-176.60000110.8I12 P19 I20 F132 T137I12-V16 HydrophobicContact CG1-CB 3.93Å; I12-V16 HydrophobicContact CG1-CG2 3.71Å; I12-V16 WeakPolarHBondContact O-CA 3.34Å; I12-V16 VanDerWaalsContact O-CB 3.31Å; I12-V16 WeakPolarHBondContact O-CB 3.29Å; I12-V16 PolarHBondContact O-N 2.97Å; V16-P19 WeakPolarHBondContact O-CD 3.31Å; V16-I20 HydrophobicContact CG1-CD1 3.77Å; V16-I20 WeakPolarHBondContact O-CB 3.12Å; V16-I20 WeakPolarHBondContact O-CD1 3.49Å; V16-I20 WeakPolarHBondContact O-CG1 3.45Å; V16-I20 PolarHBondContact O-N 3.13Å; V16-F132 HydrophobicContact CB-CD1 4.18Å; V16-F132 HydrophobicContact CB-CE1 4.3Å; V16-F132 HydrophobicContact CG1-CB 4.16Å; V16-F132 HydrophobicContact CG1-CD1 3.68Å; V16-F132 HydrophobicContact CG1-CE1 4.18Å; V16-F132 HydrophobicContact CG1-CG 3.95Å; V16-F132 HydrophobicContact CG2-CD1 3.79Å; V16-F132 HydrophobicContact CG2-CE1 3.95Å; V16-T137 HydrophobicContact CG1-CG2 4.05Å
17V91Very high87.1Confident25 Ų2572.6 Ų72.615%0.15236%0.363CS..Iπ-helixtrans-64.4-52.8-175.1174.10000111.5I12 R13 I20 V21 T137 W171I12-V17 PolarHBondContact O-N 2.9Å; I12-V17 VanDerWaalsContact O-N 3.13Å; R13-V17 WeakPolarHBondContact O-CB 3.43Å; V17-I20 PolarHBondContact O-N 2.61Å; V17-V21 WeakPolarHBondContact O-CG2 3.44Å; V17-V21 PolarHBondContact O-N 3.22Å; V17-T137 HydrophobicContact CG2-CG2 4.11Å; V17-W171 HydrophobicContact CG1-CZ2 3.59Å
18L91.2Very high87.7Confident83 Ų8365.4 Ų65.444%0.43533%0.328SS..Hα-helixtrans-63.2-46.8-176.617969.4000112.8R13 L14 I20 V21 I22R13-L18 WeakPolarHBondContact O-CB 3.35Å; R13-L18 PolarHBondContact O-N 3.29Å; L14-L18 HydrophobicContact CD2-CD2 4.22Å; L18-I20 VanDerWaalsContact C-N 3.33Å; L18-I20 PolarHBondContact O-N 3.13Å; L18-V21 PolarHBondContact O-N 2.88Å; L18-I22 HydrophobicContact CD1-CD1 3.96Å; L18-I22 HydrophobicContact CD1-CG1 4.27Å; L18-I22 HydrophobicContact CG-CD1 3.88Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 3.16Å
19P90.6Very high88.3Confident39 Ų3965.2 Ų65.225%0.25333%0.326SS..Hα-helixtrans-61.3-39.8176.3-28.139000112.8L14 W15 V16 I22 I23L14-P19 VanDerWaalsContact O-CD 3.27Å; L14-P19 WeakPolarHBondContact O-CD 3.49Å; W15-P19 WeakPolarHBondContact O-CG 3.45Å; V16-P19 WeakPolarHBondContact O-CD 3.31Å; P19-I22 PolarHBondContact O-N 3.24Å; P19-I23 WeakPolarHBondContact O-CB 3.41Å; P19-I23 VanDerWaalsContact O-CG1 3.25Å; P19-I23 WeakPolarHBondContact O-CG1 3.42Å; P19-I23 PolarHBondContact O-N 3.46Å
20I91.7Very high88.6Confident4 Ų465.4 Ų65.42%0.02133%0.326CS..Hα-helixtrans-61.1-47.5175.9-68.4168.9000110.1V16 V17 L18 I22 I23 T24 I128 F132V16-I20 HydrophobicContact CG1-CD1 3.77Å; V16-I20 WeakPolarHBondContact O-CB 3.12Å; V16-I20 WeakPolarHBondContact O-CD1 3.49Å; V16-I20 WeakPolarHBondContact O-CG1 3.45Å; V16-I20 PolarHBondContact O-N 3.13Å; V17-I20 PolarHBondContact O-N 2.61Å; L18-I20 VanDerWaalsContact C-N 3.33Å; L18-I20 PolarHBondContact O-N 3.13Å; I20-I22 PolarHBondContact O-N 3.5Å; I20-I23 PolarHBondContact O-N 2.85Å; I20-T24 VanDerWaalsContact O-CB 3.29Å; I20-T24 WeakPolarHBondContact O-CB 3.35Å; I20-T24 PolarHBondContact O-N 2.96Å; I20-T24 PolarHBondContact O-OG1 2.8Å; I20-I128 HydrophobicContact CD1-CD1 4.49Å; I20-I128 HydrophobicContact CG1-CD1 4.29Å; I20-I128 HydrophobicContact CG2-CD1 4.04Å; I20-F132 HydrophobicContact CD1-CD2 4.14Å; I20-F132 HydrophobicContact CG1-CD2 4.22Å; I20-F132 HydrophobicContact CG1-CE2 4.18Å
21V91.2Very high88.5Confident40 Ų4062.3 Ų62.324%0.24230%0.301CS..Hα-helixtrans-60-47.3179.8173.60000111.2V17 L18 T24 F25 W171V17-V21 WeakPolarHBondContact O-CG2 3.44Å; V17-V21 PolarHBondContact O-N 3.22Å; L18-V21 PolarHBondContact O-N 2.88Å; V21-T24 PolarHBondContact O-N 3.4Å; V21-F25 WeakPolarHBondContact O-CB 3.45Å; V21-F25 PolarHBondContact O-N 2.94Å; V21-W171 HydrophobicContact CG2-CZ2 3.87Å
22I92.3Very high88.4Confident77 Ų7759 Ų5940%0.39528%0.283SS..Hα-helixtrans-61.9-48.9-179.2-69.1172.6000111.1L18 P19 I20 T24 F25 F26L18-I22 HydrophobicContact CD1-CD1 3.96Å; L18-I22 HydrophobicContact CD1-CG1 4.27Å; L18-I22 HydrophobicContact CG-CD1 3.88Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 3.16Å; P19-I22 PolarHBondContact O-N 3.24Å; I20-I22 PolarHBondContact O-N 3.5Å; I22-T24 VanDerWaalsContact C-N 3.35Å; I22-T24 PolarHBondContact O-N 2.98Å; I22-F25 WeakPolarHBondContact O-CB 3.45Å; I22-F25 PolarHBondContact O-N 3.13Å; I22-F26 HydrophobicContact CG2-CD2 3.67Å; I22-F26 HydrophobicContact CG2-CE2 3.68Å; I22-F26 VanDerWaalsContact O-CD2 3.27Å; I22-F26 WeakPolarHBondContact O-CD2 3.33Å; I22-F26 PolarHBondContact O-N 3.04Å
23I90.8Very high88.4Confident68 Ų6864.3 Ų64.335%0.34930%0.303SS..Hα-helixtrans-62.4-45.4178.9-69168.4000110.2P19 I20 F25 F26 V27P19-I23 WeakPolarHBondContact O-CB 3.41Å; P19-I23 VanDerWaalsContact O-CG1 3.25Å; P19-I23 WeakPolarHBondContact O-CG1 3.42Å; P19-I23 PolarHBondContact O-N 3.46Å; I20-I23 PolarHBondContact O-N 2.85Å; I23-F25 VanDerWaalsContact C-N 3.29Å; I23-F25 PolarHBondContact O-N 3.37Å; I23-F26 PolarHBondContact O-N 3.01Å; I23-V27 HydrophobicContact CG2-CG2 4.15Å; I23-V27 WeakPolarHBondContact O-CB 3.35Å; I23-V27 VanDerWaalsContact O-CG2 3.27Å; I23-V27 WeakPolarHBondContact O-CG2 3.16Å; I23-V27 PolarHBondContact O-N 2.87Å
24T88.2Confident88.4Confident6 Ų659.1 Ų59.14%0.03729%0.29CS..Hα-helixtrans-59.6-44.1178.8-490000110.5I20 V21 I22 G28 Y172 N175 V176 L179 Y183I20-T24 VanDerWaalsContact O-CB 3.29Å; I20-T24 WeakPolarHBondContact O-CB 3.35Å; I20-T24 PolarHBondContact O-N 2.96Å; I20-T24 PolarHBondContact O-OG1 2.8Å; V21-T24 PolarHBondContact O-N 3.4Å; I22-T24 VanDerWaalsContact C-N 3.35Å; I22-T24 PolarHBondContact O-N 2.98Å; T24-G28 PolarHBondContact O-N 3.36Å; T24-Y172 HydrophobicContact CG2-CD2 3.94Å; T24-Y172 HydrophobicContact CG2-CE2 3.79Å; T24-Y172 WeakPolarHBondContact OG1-CD2 3.4Å; T24-N175 HydrophobicContact CG2-CB 4Å; T24-V176 HydrophobicContact CG2-CG2 3.87Å; T24-L179 HydrophobicContact CG2-CD1 3.91Å; T24-Y183 PolarHBondContact O-OH 2.98Å
25F89.5Confident88.2Confident50 Ų5054.5 Ų54.522%0.21927%0.266CS..Hα-helixtrans-57.9-56.8177.7179.9-103.6000112.3V21 I22 I23 G28 M29 L179 I182 Y183 I186V21-F25 WeakPolarHBondContact O-CB 3.45Å; V21-F25 PolarHBondContact O-N 2.94Å; I22-F25 WeakPolarHBondContact O-CB 3.45Å; I22-F25 PolarHBondContact O-N 3.13Å; I23-F25 VanDerWaalsContact C-N 3.29Å; I23-F25 PolarHBondContact O-N 3.37Å; F25-G28 PolarHBondContact O-N 3.2Å; F25-M29 HydrophobicContact CD1-SD 4.22Å; F25-M29 HydrophobicContact CE1-CG 4.34Å; F25-M29 HydrophobicContact CE1-SD 3.43Å; F25-M29 WeakPolarHBondContact CE1-SD 3.29Å; F25-M29 HydrophobicContact CZ-CG 4.3Å; F25-M29 HydrophobicContact CZ-SD 3.62Å; F25-M29 PolarHBondContact O-N 3.46Å; F25-M29 VanDerWaalsContact O-N 3.12Å; F25-L179 HydrophobicContact CB-CD1 4.18Å; F25-I182 HydrophobicContact CE2-CG2 4.08Å; F25-Y183 WeakPolarHBondContact CA-OH 3.21Å; F25-Y183 AromaticContact CD2-CE1 3.87Å; F25-Y183 HydrophobicContact CD2-CE1 3.87Å; F25-Y183 HydrophobicContact CE2-CD1 4.48Å; F25-Y183 HydrophobicContact CE2-CE1 4.03Å; F25-Y183 PolarHBondContact O-OH 2.9Å; F25-I186 HydrophobicContact CE2-CD1 3.95Å; F25-I186 HydrophobicContact CZ-CD1 3.89Å
26F90.8Very high87.9Confident116 Ų11649.3 Ų49.351%0.50925%0.252SS..Hα-helixtrans-65.6-39.9-177.8-79.6-65.6000113.1I22 I23 G28 M29 I30I22-F26 HydrophobicContact CG2-CD2 3.67Å; I22-F26 HydrophobicContact CG2-CE2 3.68Å; I22-F26 VanDerWaalsContact O-CD2 3.27Å; I22-F26 WeakPolarHBondContact O-CD2 3.33Å; I22-F26 PolarHBondContact O-N 3.04Å; I23-F26 PolarHBondContact O-N 3.01Å; F26-G28 VanDerWaalsContact C-N 3.28Å; F26-G28 PolarHBondContact O-N 3.23Å; F26-M29 WeakPolarHBondContact O-CB 3.49Å; F26-M29 PolarHBondContact O-N 2.58Å; F26-M29 VanDerWaalsContact O-N 3.16Å; F26-I30 WeakPolarHBondContact O-CG1 3.25Å; F26-I30 PolarHBondContact O-N 3.43Å
27V87.6Confident87.5Confident42 Ų4256 Ų5626%0.25529%0.287SS..Hα-helixtrans-64.8-36.3176.7174.70000110.9I23 M29 I30 R31 P120 I124I23-V27 HydrophobicContact CG2-CG2 4.15Å; I23-V27 WeakPolarHBondContact O-CB 3.35Å; I23-V27 VanDerWaalsContact O-CG2 3.27Å; I23-V27 WeakPolarHBondContact O-CG2 3.16Å; I23-V27 PolarHBondContact O-N 2.87Å; V27-M29 VanDerWaalsContact C-N 3.35Å; V27-I30 PolarHBondContact O-N 3.4Å; V27-R31 VanDerWaalsContact O-CB 3.25Å; V27-R31 WeakPolarHBondContact O-CB 3.3Å; V27-R31 PolarHBondContact O-N 3.45Å; V27-P120 HydrophobicContact CG1-CB 4.12Å; V27-I124 HydrophobicContact CB-CD1 3.74Å; V27-I124 HydrophobicContact CG1-CD1 3.48Å; V27-I124 VanDerWaalsContact CG1-CD1 3.48Å; V27-I124 HydrophobicContact CG1-CG1 4.41Å; V27-I124 HydrophobicContact CG2-CD1 3.99Å; V27-I124 HydrophobicContact CG2-CG1 4.48Å
28G85.9Confident87Confident10 Ų1058.6 Ų58.610%0.10330%0.299CS..Hα-helixtrans-63.9-38172.900000113.2T24 F25 F26 H32 Y183T24-G28 PolarHBondContact O-N 3.36Å; F25-G28 PolarHBondContact O-N 3.2Å; F26-G28 VanDerWaalsContact C-N 3.28Å; F26-G28 PolarHBondContact O-N 3.23Å; G28-H32 PolarHBondContact O-N 3.34Å; G28-Y183 WeakPolarHBondContact CA-OH 3.43Å
29M86.6Confident86Confident46 Ų4660.7 Ų60.723%0.22731%0.307CS..Hα-helixtrans-64.6-48172.3-68.9-173.967.100112.1F25 F26 V27 R31 H32 Y33 Y183F25-M29 HydrophobicContact CD1-SD 4.22Å; F25-M29 HydrophobicContact CE1-CG 4.34Å; F25-M29 HydrophobicContact CE1-SD 3.43Å; F25-M29 WeakPolarHBondContact CE1-SD 3.29Å; F25-M29 HydrophobicContact CZ-CG 4.3Å; F25-M29 HydrophobicContact CZ-SD 3.62Å; F25-M29 PolarHBondContact O-N 3.46Å; F25-M29 VanDerWaalsContact O-N 3.12Å; F26-M29 WeakPolarHBondContact O-CB 3.49Å; F26-M29 PolarHBondContact O-N 2.58Å; F26-M29 VanDerWaalsContact O-N 3.16Å; V27-M29 VanDerWaalsContact C-N 3.35Å; M29-R31 VanDerWaalsContact C-N 3.31Å; M29-R31 PolarHBondContact O-N 2.88Å; M29-H32 WeakPolarHBondContact O-CB 3.35Å; M29-H32 PolarHBondContact O-N 2.83Å; M29-Y33 HydrophobicContact CE-CE2 4.47Å; M29-Y33 WeakPolarHBondContact O-CD2 3.32Å; M29-Y33 PolarHBondContact O-N 3.46Å; M29-Y183 HydrophobicContact CG-CE1 4.34Å
30I87.8Confident84.7Confident105 Ų10562.7 Ų62.754%0.53832%0.322SS..Hα-helixtrans-58.8-46.4177.6-67.9166.5000110F26 V27 H32 Y33 V34F26-I30 WeakPolarHBondContact O-CG1 3.25Å; F26-I30 PolarHBondContact O-N 3.43Å; V27-I30 PolarHBondContact O-N 3.4Å; I30-H32 VanDerWaalsContact C-N 3.3Å; I30-H32 PolarHBondContact O-N 2.68Å; I30-Y33 PolarHBondContact O-N 2.95Å; I30-V34 HydrophobicContact CG2-CG2 4.04Å; I30-V34 WeakPolarHBondContact O-CB 3.36Å; I30-V34 VanDerWaalsContact O-CG2 3.27Å; I30-V34 WeakPolarHBondContact O-CG2 3.39Å; I30-V34 PolarHBondContact O-N 3.21Å
31R82.8Confident83.2Confident20 Ų2070.2 Ų70.28%0.07536%0.362CS..Hα-helixtrans-54.8-46.7175.9171.5-172.3161.7142.7-8.1111.3V27 M29 Y33 V34 S35 N117 A192V27-R31 VanDerWaalsContact O-CB 3.25Å; V27-R31 WeakPolarHBondContact O-CB 3.3Å; V27-R31 PolarHBondContact O-N 3.45Å; M29-R31 VanDerWaalsContact C-N 3.31Å; M29-R31 PolarHBondContact O-N 2.88Å; R31-Y33 PolarHBondContact O-N 2.96Å; R31-V34 PolarHBondContact O-N 3.02Å; R31-S35 VanDerWaalsContact O-CB 3.27Å; R31-S35 WeakPolarHBondContact O-CB 3.41Å; R31-S35 PolarHBondContact O-N 3.29Å; R31-N117 PolarHBondContact NH1-O 3.48Å; R31-N117 PolarHBondContact NH2-OD1 3.37Å; R31-A192 PolarHBondContact NE-O 3.38Å; R31-A192 PolarHBondContact NH2-O 3.03Å
32H83.8Confident81.7Confident15 Ų1574.4 Ų74.47%0.06938%0.377CS..Hα-helixtrans-57.8-49.5-179.7172.677.4000111.5G28 M29 I30 S35 I36 L187G28-H32 PolarHBondContact O-N 3.34Å; M29-H32 WeakPolarHBondContact O-CB 3.35Å; M29-H32 PolarHBondContact O-N 2.83Å; I30-H32 VanDerWaalsContact C-N 3.3Å; I30-H32 PolarHBondContact O-N 2.68Å; H32-S35 PolarHBondContact O-N 3.2Å; H32-I36 VanDerWaalsContact NE2-CD1 3.29Å; H32-I36 WeakPolarHBondContact NE2-CD1 3.42Å; H32-I36 WeakPolarHBondContact O-CG1 3.42Å; H32-I36 PolarHBondContact O-N 3.22Å; H32-L187 HydrophobicContact CB-CD1 3.8Å
33Y85.4Confident80Confident130 Ų13080.3 Ų80.351%0.5140%0.4SS..Hα-helixtrans-67.6-40.4178.6-69.8-64.8000113M29 I30 R31 S35 I36 L37M29-Y33 HydrophobicContact CE-CE2 4.47Å; M29-Y33 WeakPolarHBondContact O-CD2 3.32Å; M29-Y33 PolarHBondContact O-N 3.46Å; I30-Y33 PolarHBondContact O-N 2.95Å; R31-Y33 PolarHBondContact O-N 2.96Å; Y33-S35 VanDerWaalsContact C-N 3.27Å; Y33-S35 PolarHBondContact O-N 3.04Å; Y33-I36 PolarHBondContact O-N 2.79Å; Y33-L37 VanDerWaalsContact O-CG 3.3Å; Y33-L37 WeakPolarHBondContact O-CG 3.49Å; Y33-L37 PolarHBondContact O-N 2.97Å
34V85.2Confident78.7Confident59 Ų5981.5 Ų81.536%0.35841%0.407SS..Hα-helixtrans-61-39.1174.2168.30000110.9I30 R31 L37 L38I30-V34 HydrophobicContact CG2-CG2 4.04Å; I30-V34 WeakPolarHBondContact O-CB 3.36Å; I30-V34 VanDerWaalsContact O-CG2 3.27Å; I30-V34 WeakPolarHBondContact O-CG2 3.39Å; I30-V34 PolarHBondContact O-N 3.21Å; R31-V34 PolarHBondContact O-N 3.02Å; V34-L37 PolarHBondContact O-N 3.13Å; V34-L38 HydrophobicContact CG1-CD1 3.59Å; V34-L38 WeakPolarHBondContact O-CB 3.27Å; V34-L38 WeakPolarHBondContact O-CG 3.43Å; V34-L38 PolarHBondContact O-N 3.4Å
35S82.3Confident78Confident13 Ų1385 Ų859%0.09143%0.428CS..Hα-helixtrans-66.5-43.8176.8-1740000111.5R31 H32 Y33 L37 L38 Q39 A192R31-S35 VanDerWaalsContact O-CB 3.27Å; R31-S35 WeakPolarHBondContact O-CB 3.41Å; R31-S35 PolarHBondContact O-N 3.29Å; H32-S35 PolarHBondContact O-N 3.2Å; Y33-S35 VanDerWaalsContact C-N 3.27Å; Y33-S35 PolarHBondContact O-N 3.04Å; S35-L37 VanDerWaalsContact C-N 3.3Å; S35-L37 PolarHBondContact O-N 2.85Å; S35-L38 CarbonylContact O-C 3.27Å; S35-L38 PolarHBondContact O-N 2.75Å; S35-L38 VanDerWaalsContact O-N 3.16Å; S35-Q39 VanDerWaalsContact O-CG 3.29Å; S35-Q39 WeakPolarHBondContact O-CG 3.41Å; S35-Q39 PolarHBondContact O-N 3.39Å; S35-A192 VanDerWaalsContact CB-CB 3.48Å; S35-A192 WeakPolarHBondContact OG-CB 3.46Å
36I81.7Confident77.5Confident80 Ų8091 Ų9141%0.4146%0.457SS..Hα-helixtrans-58.6-43.2173.5-69.3168.6000110.9H32 Y33 L38 Q39H32-I36 VanDerWaalsContact NE2-CD1 3.29Å; H32-I36 WeakPolarHBondContact NE2-CD1 3.42Å; H32-I36 WeakPolarHBondContact O-CG1 3.42Å; H32-I36 PolarHBondContact O-N 3.22Å; Y33-I36 PolarHBondContact O-N 2.79Å; I36-L38 VanDerWaalsContact C-N 3.28Å; I36-L38 PolarHBondContact O-N 3.01Å; I36-Q39 PolarHBondContact O-N 3.39Å
37L81.8Confident76.9Confident148 Ų14889.6 Ų89.678%0.77545%0.452SS*.Hα-helixtrans-66.2-30178.6-71.7168.3000113.1Y33 V34 S35Y33-L37 VanDerWaalsContact O-CG 3.3Å; Y33-L37 WeakPolarHBondContact O-CG 3.49Å; Y33-L37 PolarHBondContact O-N 2.97Å; V34-L37 PolarHBondContact O-N 3.13Å; S35-L37 VanDerWaalsContact C-N 3.3Å; S35-L37 PolarHBondContact O-N 2.85Å
38L78.9Confident76.5Confident79 Ų7991.6 Ų91.641%0.41446%0.458SS..Hα-helixtrans-91.8-15179.6-75.4163.2000113.3V34 S35 I36 S40 T116V34-L38 HydrophobicContact CG1-CD1 3.59Å; V34-L38 WeakPolarHBondContact O-CB 3.27Å; V34-L38 WeakPolarHBondContact O-CG 3.43Å; V34-L38 PolarHBondContact O-N 3.4Å; S35-L38 CarbonylContact O-C 3.27Å; S35-L38 PolarHBondContact O-N 2.75Å; S35-L38 VanDerWaalsContact O-N 3.16Å; I36-L38 VanDerWaalsContact C-N 3.28Å; I36-L38 PolarHBondContact O-N 3.01Å; L38-S40 PolarHBondContact O-N 3.46Å; L38-T116 HydrophobicContact CD1-CG2 3.29Å
39Q70.7Confident76.2Confident127 Ų12793.9 Ų93.959%0.59347%0.47SS*.  trans-63.6105.7173.1-84.4175.1800108.4S35 I36S35-Q39 VanDerWaalsContact O-CG 3.29Å; S35-Q39 WeakPolarHBondContact O-CG 3.41Å; S35-Q39 PolarHBondContact O-N 3.39Å; I36-Q39 PolarHBondContact O-N 3.39Å
40S63.9Low76.1Confident81 Ų8194.2 Ų94.257%0.56648%0.477SS*.  trans-91.8130.9169.5-570000108L38 K42L38-S40 PolarHBondContact O-N 3.46Å; S40-K42 VanDerWaalsContact C-N 3.34Å; S40-K42 PolarHBondContact O-N 3.21Å
41D60.9Low76Confident163 Ų16389.5 Ų89.587%0.87245%0.453SS*.  trans-63.195170.9-74-49000109.3K43D41-K43 PolarHBondContact O-N 3.46Å
42K58.2Low76.1Confident128 Ų12889 Ų8956%0.55745%0.453SS*.  trans-67.9104.7172.9-67.9-175.2-179-179.50107.8S40 L44S40-K42 VanDerWaalsContact C-N 3.34Å; S40-K42 PolarHBondContact O-N 3.21Å; K42-L44 PolarHBondContact O-N 2.9Å
43K56.6Low76.3Confident201 Ų20193 Ų9387%0.87447%0.471SS*.  trans-69.886.8161.1-65.8-173.5-178.6-177.20107.1D41 T45D41-K43 PolarHBondContact O-N 3.46Å; K43-T45 PolarHBondContact O-N 3.19Å
44L64.3Low76.5Confident93 Ų9387.1 Ų87.149%0.48745%0.449SS..  trans-52.6132.3165.7-70.4173.5000107.4K42 Q46 V49K42-L44 PolarHBondContact O-N 2.9Å; L44-Q46 PolarHBondContact O-N 3.28Å; L44-V49 HydrophobicContact CB-CG2 3.55Å; L44-V49 HydrophobicContact CD1-CG2 3.88Å; L44-V49 HydrophobicContact CG-CG2 4.37Å
45T72.8Confident76.7Confident80 Ų8085.2 Ų85.249%0.49144%0.437SS..  trans-58.6129.7174.3-54.90000107.2K43 E47 Q48 V49K43-T45 PolarHBondContact O-N 3.19Å; T45-E47 HydrophobicContact CG2-CB 3.89Å; T45-E47 PolarHBondContact O-N 3.35Å; T45-Q48 WeakPolarHBondContact O-CB 3.25Å; T45-Q48 PolarHBondContact O-N 3.44Å; T45-V49 PolarHBondContact O-N 3.17Å
46Q78.7Confident77.1Confident175 Ų17588.1 Ų88.182%0.81845%0.45SS*.Hα-helixtrans-48.1-33.2-179.5-178-179.1-3.800112.3L44 S50L44-Q46 PolarHBondContact O-N 3.28Å; Q46-S50 WeakPolarHBondContact O-CB 3.32Å; Q46-S50 PolarHBondContact O-N 2.9Å
47E79.7Confident77.6Confident87 Ų8791 Ų9141%0.40746%0.456SS..Hα-helixtrans-59.3-48.9174.2-168.3170.7-176.600113.8T45 V49 S50 D51 R93T45-E47 HydrophobicContact CG2-CB 3.89Å; T45-E47 PolarHBondContact O-N 3.35Å; E47-V49 VanDerWaalsContact C-N 3.33Å; E47-V49 PolarHBondContact O-N 3.31Å; E47-S50 WeakPolarHBondContact O-CB 3.4Å; E47-S50 PolarHBondContact O-N 2.79Å; E47-D51 PolarHBondContact O-N 2.71Å; E47-R93 WeakPolarHBondContact OE1-CD 3.32Å; E47-R93 IonicContact OE1-CZ 2.7Å; E47-R93 IonicContact OE1-NE 2.88Å; E47-R93 PolarHBondContact OE1-NE 3.45Å; E47-R93 IonicContact OE1-NH1 2.61Å; E47-R93 PolarHBondContact OE1-NH1 3.17Å
48Q77.4Confident78Confident84 Ų8484 Ų8439%0.39342%0.419SS..Hα-helixtrans-65-38.8-179.6-68174.5-38.200111.5T45 D51 S52T45-Q48 WeakPolarHBondContact O-CB 3.25Å; T45-Q48 PolarHBondContact O-N 3.44Å; Q48-D51 PolarHBondContact O-N 3.32Å; Q48-S52 PolarHBondContact O-N 2.89Å; Q48-S52 PolarHBondContact O-OG 3.3Å
49V80.5Confident78.6Confident57 Ų5785.3 Ų85.335%0.34542%0.419SS..Hα-helixtrans-66.2-42.3175.8-178.10000110.6L44 T45 E47 S52 Q53L44-V49 HydrophobicContact CB-CG2 3.55Å; L44-V49 HydrophobicContact CD1-CG2 3.88Å; L44-V49 HydrophobicContact CG-CG2 4.37Å; T45-V49 PolarHBondContact O-N 3.17Å; E47-V49 VanDerWaalsContact C-N 3.33Å; E47-V49 PolarHBondContact O-N 3.31Å; V49-S52 PolarHBondContact O-OG 3.36Å; V49-Q53 HydrophobicContact CG1-CG 4.44Å; V49-Q53 WeakPolarHBondContact O-CB 2.98Å; V49-Q53 WeakPolarHBondContact O-CG 3.39Å; V49-Q53 PolarHBondContact O-N 3.27Å; V49-Q53 VanDerWaalsContact O-N 3.09Å
50S84.7Confident79.6Confident54 Ų5482.6 Ų82.638%0.37841%0.411SS..Hα-helixtrans-60.9-46.1176.5-1730000111.4Q46 E47 Q53 V54Q46-S50 WeakPolarHBondContact O-CB 3.32Å; Q46-S50 PolarHBondContact O-N 2.9Å; E47-S50 WeakPolarHBondContact O-CB 3.4Å; E47-S50 PolarHBondContact O-N 2.79Å; S50-Q53 PolarHBondContact O-N 2.89Å; S50-V54 VanDerWaalsContact O-CG2 3.3Å; S50-V54 WeakPolarHBondContact O-CG2 3.39Å; S50-V54 PolarHBondContact O-N 3.19Å
51D85.8Confident81Confident5 Ų579.2 Ų79.23%0.02739%0.386CS..Hα-helixtrans-63.9-46-179.2-70.2-15.6000112.3E47 Q48 Q53 V54 L55 R93 M210 F218E47-D51 PolarHBondContact O-N 2.71Å; Q48-D51 PolarHBondContact O-N 3.32Å; D51-Q53 VanDerWaalsContact C-N 3.3Å; D51-Q53 PolarHBondContact O-N 3.28Å; D51-V54 PolarHBondContact O-N 2.82Å; D51-L55 WeakPolarHBondContact O-CG 3.49Å; D51-L55 PolarHBondContact O-N 3.46Å; D51-R93 IonicContact OD1-CZ 3.45Å; D51-R93 IonicContact OD1-NE 2.66Å; D51-R93 PolarHBondContact OD1-NE 2.79Å; D51-R93 IonicContact OD1-NH2 3.97Å; D51-R93 PolarHBondContact OD1-NH2 3.37Å; D51-R93 WeakPolarHBondContact OD2-CD 3.21Å; D51-R93 WeakPolarHBondContact OD2-CG 3.5Å; D51-R93 IonicContact OD2-CZ 2.65Å; D51-R93 IonicContact OD2-NE 3.14Å; D51-R93 PolarHBondContact OD2-NE 3.08Å; D51-R93 IonicContact OD2-NH2 3.33Å; D51-M210 HydrophobicContact CB-CE 3.53Å; D51-F218 HydrophobicContact CB-CE1 4.36Å; D51-F218 HydrophobicContact CB-CZ 4.03Å
52S84.2Confident82.4Confident11 Ų1174.7 Ų74.78%0.07736%0.357CS..Hα-helixtrans-61.1-41.7177.969.10000111.4Q48 V49 L55 I56Q48-S52 PolarHBondContact O-N 2.89Å; Q48-S52 PolarHBondContact O-OG 3.3Å; V49-S52 PolarHBondContact O-OG 3.36Å; S52-L55 PolarHBondContact O-N 2.91Å; S52-I56 VanDerWaalsContact O-CG1 3.27Å; S52-I56 WeakPolarHBondContact O-CG1 3.42Å; S52-I56 PolarHBondContact O-N 3.47Å
53Q87.8Confident84Confident98 Ų9874.5 Ų74.546%0.45836%0.358SS..Hα-helixtrans-66.2-38.9177.5-70.6-63.7-17.900112.7V49 S50 D51 I56 R57V49-Q53 HydrophobicContact CG1-CG 4.44Å; V49-Q53 WeakPolarHBondContact O-CB 2.98Å; V49-Q53 WeakPolarHBondContact O-CG 3.39Å; V49-Q53 PolarHBondContact O-N 3.27Å; V49-Q53 VanDerWaalsContact O-N 3.09Å; S50-Q53 PolarHBondContact O-N 2.89Å; D51-Q53 VanDerWaalsContact C-N 3.3Å; D51-Q53 PolarHBondContact O-N 3.28Å; Q53-I56 PolarHBondContact O-N 3.29Å; Q53-R57 WeakPolarHBondContact O-CB 3.28Å; Q53-R57 WeakPolarHBondContact O-CG 3.48Å; Q53-R57 PolarHBondContact O-N 2.9Å
54V90.1Very high85.7Confident7 Ų768.1 Ų68.14%0.04233%0.334CS..Hα-helixtrans-63.8-42.7175.61690000110.6S50 D51 R57 S58 F80 F87 F88S50-V54 VanDerWaalsContact O-CG2 3.3Å; S50-V54 WeakPolarHBondContact O-CG2 3.39Å; S50-V54 PolarHBondContact O-N 3.19Å; D51-V54 PolarHBondContact O-N 2.82Å; V54-R57 PolarHBondContact O-N 3.39Å; V54-S58 PolarHBondContact O-N 3.44Å; V54-F80 HydrophobicContact CG1-CD1 4.24Å; V54-F80 HydrophobicContact CG1-CE1 3.75Å; V54-F87 HydrophobicContact CB-CD1 4.44Å; V54-F87 HydrophobicContact CB-CE1 3.92Å; V54-F87 HydrophobicContact CB-CZ 4.23Å; V54-F87 HydrophobicContact CG1-CD1 3.37Å; V54-F87 HydrophobicContact CG1-CE1 3.28Å; V54-F87 HydrophobicContact CG1-CG 4.17Å; V54-F87 HydrophobicContact CG1-CZ 3.99Å; V54-F87 HydrophobicContact CG2-CE1 3.92Å; V54-F87 HydrophobicContact CG2-CE2 4.19Å; V54-F87 HydrophobicContact CG2-CZ 3.73Å; V54-F88 HydrophobicContact CG1-CD1 4.5Å; V54-F88 HydrophobicContact CG1-CE1 3.65Å; V54-F88 HydrophobicContact CG1-CZ 4.13Å
55L90.1Very high86.9Confident18 Ų1863.9 Ų63.99%0.09431%0.312CS..Hα-helixtrans-62.7-43.7176.3-66177.8000112.1D51 S52 R57 S58 R59 F88 M210 A217 F218 E221D51-L55 WeakPolarHBondContact O-CG 3.49Å; D51-L55 PolarHBondContact O-N 3.46Å; S52-L55 PolarHBondContact O-N 2.91Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-R57 PolarHBondContact O-N 3.23Å; L55-S58 PolarHBondContact O-N 2.85Å; L55-R59 PolarHBondContact O-N 3.4Å; L55-F88 HydrophobicContact CD2-CE1 3.97Å; L55-F88 HydrophobicContact CD2-CZ 4.46Å; L55-M210 HydrophobicContact CD1-CE 4.09Å; L55-M210 HydrophobicContact CD1-SD 4.43Å; L55-A217 HydrophobicContact CD1-CB 4.04Å; L55-F218 HydrophobicContact CD1-CE1 4.38Å; L55-F218 HydrophobicContact CD2-CD1 3.55Å; L55-F218 HydrophobicContact CD2-CE1 3.79Å; L55-F218 HydrophobicContact CG-CD1 4.29Å; L55-F218 HydrophobicContact CG-CE1 4.04Å; L55-E221 HydrophobicContact CD2-CB 4.23Å; L55-E221 HydrophobicContact CD2-CG 3.78Å
56I90Very high87.7Confident74 Ų7464.3 Ų64.338%0.37931%0.307SS..Hα-helixtrans-60.5-44.6175.3-68.1164.3000110.3S52 Q53 S58 R59 V60S52-I56 VanDerWaalsContact O-CG1 3.27Å; S52-I56 WeakPolarHBondContact O-CG1 3.42Å; S52-I56 PolarHBondContact O-N 3.47Å; Q53-I56 PolarHBondContact O-N 3.29Å; I56-S58 VanDerWaalsContact C-N 3.34Å; I56-S58 PolarHBondContact O-N 3.11Å; I56-R59 PolarHBondContact O-N 3.25Å; I56-V60 HydrophobicContact CG2-CG2 4.15Å; I56-V60 WeakPolarHBondContact O-CB 3.36Å; I56-V60 VanDerWaalsContact O-CG2 3.28Å; I56-V60 WeakPolarHBondContact O-CG2 3.36Å; I56-V60 PolarHBondContact O-N 2.84Å
57R91.4Very high88.3Confident141 Ų14162.7 Ų62.753%0.53230%0.295SS..Hα-helixtrans-62.4-39.6178.8-73.4173.368.9-167.30.4112.6Q53 V54 L55 L61 F80Q53-R57 WeakPolarHBondContact O-CB 3.28Å; Q53-R57 WeakPolarHBondContact O-CG 3.48Å; Q53-R57 PolarHBondContact O-N 2.9Å; V54-R57 PolarHBondContact O-N 3.39Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-R57 PolarHBondContact O-N 3.23Å; R57-L61 WeakPolarHBondContact O-CB 3.31Å; R57-L61 PolarHBondContact O-N 2.86Å; R57-F80 HydrophobicContact CB-CZ 4.06Å
58S91.3Very high89Confident0 Ų059.9 Ų59.90%028%0.282CS..Hα-helixtrans-64-46.6173.31710000111.7V54 L55 I56 V60 L61 R62 E221V54-S58 PolarHBondContact O-N 3.44Å; L55-S58 PolarHBondContact O-N 2.85Å; I56-S58 VanDerWaalsContact C-N 3.34Å; I56-S58 PolarHBondContact O-N 3.11Å; S58-V60 PolarHBondContact O-N 3.21Å; S58-L61 WeakPolarHBondContact O-CB 3.38Å; S58-L61 PolarHBondContact O-N 3.35Å; S58-R62 WeakPolarHBondContact O-CG 3.19Å; S58-R62 PolarHBondContact O-N 2.92Å; S58-E221 PolarHBondContact OG-OE2 3.41Å
59R91.1Very high89.7Confident107 Ų10759.1 Ų59.140%0.40429%0.285SS..Hα-helixtrans-59.6-48.4176.2-174.2-177.9-60.8176.70.8112.2L55 I56 L61 R62 E63L55-R59 PolarHBondContact O-N 3.4Å; I56-R59 PolarHBondContact O-N 3.25Å; R59-L61 VanDerWaalsContact C-N 3.27Å; R59-L61 PolarHBondContact O-N 3.09Å; R59-R62 PolarHBondContact O-N 2.94Å; R59-E63 WeakPolarHBondContact CD-OE1 3.21Å; R59-E63 HydrophobicContact CG-CG 4.33Å; R59-E63 VanDerWaalsContact CG-OE1 3.27Å; R59-E63 WeakPolarHBondContact CG-OE1 3.19Å; R59-E63 PolarHBondContact O-N 3.04Å
60V91.7Very high90.2Very high71 Ų7162.7 Ų62.743%0.4330%0.296SS..Hα-helixtrans-60.2-39.1177.7170.50000110.9I56 S58 R62 N64I56-V60 HydrophobicContact CG2-CG2 4.15Å; I56-V60 WeakPolarHBondContact O-CB 3.36Å; I56-V60 VanDerWaalsContact O-CG2 3.28Å; I56-V60 WeakPolarHBondContact O-CG2 3.36Å; I56-V60 PolarHBondContact O-N 2.84Å; S58-V60 PolarHBondContact O-N 3.21Å; V60-R62 VanDerWaalsContact C-N 3.3Å; V60-R62 PolarHBondContact O-N 3.12Å; V60-N64 HydrophobicContact CG1-CB 4.43Å; V60-N64 WeakPolarHBondContact O-CA 3.49Å; V60-N64 VanDerWaalsContact O-CB 3.28Å; V60-N64 WeakPolarHBondContact O-CB 3.38Å; V60-N64 PolarHBondContact O-N 3.42Å
61L92.8Very high90.7Very high10 Ų1066.9 Ų66.95%0.05231%0.309CS..Hα-helixtrans-62.6-37.2175.4-178.863.9000112.2R57 S58 R59 G65 I68 F73 R76 F80 L225R57-L61 WeakPolarHBondContact O-CB 3.31Å; R57-L61 PolarHBondContact O-N 2.86Å; S58-L61 WeakPolarHBondContact O-CB 3.38Å; S58-L61 PolarHBondContact O-N 3.35Å; R59-L61 VanDerWaalsContact C-N 3.27Å; R59-L61 PolarHBondContact O-N 3.09Å; L61-G65 WeakPolarHBondContact O-CA 3.21Å; L61-G65 PolarHBondContact O-N 2.92Å; L61-I68 HydrophobicContact CD1-CD1 3.59Å; L61-F73 HydrophobicContact CD1-CD2 3.63Å; L61-F73 HydrophobicContact CD1-CE2 4.01Å; L61-F73 HydrophobicContact CG-CD2 4.07Å; L61-F73 HydrophobicContact CG-CE2 3.92Å; L61-R76 HydrophobicContact CD1-CB 3.95Å; L61-R76 HydrophobicContact CD2-CB 3.62Å; L61-R76 HydrophobicContact CG-CB 4.46Å; L61-F80 HydrophobicContact CD2-CD2 4.07Å; L61-F80 HydrophobicContact CD2-CE2 4.12Å; L61-L225 HydrophobicContact CD2-CD1 3.95Å; L61-L225 HydrophobicContact CD2-CD2 4.31Å; L61-L225 HydrophobicContact CG-CD1 4.29Å
62R91.9Very high91Very high68 Ų6869 Ų6926%0.25732%0.324SS..Hα-helixtrans-71.7-48.9177-66.5-176.5-67.3147.1-1.1112.3S58 R59 V60 E221 L225 T228S58-R62 WeakPolarHBondContact O-CG 3.19Å; S58-R62 PolarHBondContact O-N 2.92Å; R59-R62 PolarHBondContact O-N 2.94Å; V60-R62 VanDerWaalsContact C-N 3.3Å; V60-R62 PolarHBondContact O-N 3.12Å; R62-E221 IonicContact CZ-OE1 2.78Å; R62-E221 IonicContact CZ-OE2 3.83Å; R62-E221 VanDerWaalsContact CZ-OE2 3.27Å; R62-E221 IonicContact NE-OE2 3.18Å; R62-E221 PolarHBondContact NE-OE2 3.23Å; R62-E221 IonicContact NH2-OE1 2.87Å; R62-E221 PolarHBondContact NH2-OE1 2.83Å; R62-E221 IonicContact NH2-OE2 3.85Å; R62-E221 PolarHBondContact NH2-OE2 3.49Å; R62-L225 HydrophobicContact CG-CB 4.42Å; R62-L225 HydrophobicContact CG-CD1 3.56Å; R62-T228 HydrophobicContact CB-CG2 4.26Å; R62-T228 WeakPolarHBondContact CD-OG1 3.13Å; R62-T228 HydrophobicContact CG-CG2 4.22Å; R62-T228 WeakPolarHBondContact CG-OG1 3.44Å
63E90.7Very high91.6Very high123 Ų12368.6 Ų68.658%0.57532%0.321SS*.Hα-helixtrans-72.7-36-175.8-68.5174.2-177.100112.7R59R59-E63 WeakPolarHBondContact CD-OE1 3.21Å; R59-E63 HydrophobicContact CG-CG 4.33Å; R59-E63 VanDerWaalsContact CG-OE1 3.27Å; R59-E63 WeakPolarHBondContact CG-OE1 3.19Å; R59-E63 PolarHBondContact O-N 3.04Å
64N92Very high91.8Very high67 Ų6767.7 Ų67.736%0.35832%0.319SS..Hα-helixtrans-115.812.1-173.4-60.7-73.6000113.1V60 K66 Y67V60-N64 HydrophobicContact CG1-CB 4.43Å; V60-N64 WeakPolarHBondContact O-CA 3.49Å; V60-N64 VanDerWaalsContact O-CB 3.28Å; V60-N64 WeakPolarHBondContact O-CB 3.38Å; V60-N64 PolarHBondContact O-N 3.42Å; N64-K66 PolarHBondContact O-N 3.18Å; N64-Y67 HydrophobicContact CB-CD2 4.07Å; N64-Y67 HydrophobicContact CB-CE2 4.44Å; N64-Y67 PolarHBondContact O-N 2.79Å
65G90.3Very high92Very high4 Ų471.8 Ų71.84%0.04134%0.344CS..G310 helixtrans-59.3-19.5178.800000113.8L61 Y67 I68 H230L61-G65 WeakPolarHBondContact O-CA 3.21Å; L61-G65 PolarHBondContact O-N 2.92Å; G65-Y67 VanDerWaalsContact C-N 3.27Å; G65-Y67 PolarHBondContact O-N 3.16Å; G65-I68 VanDerWaalsContact O-CG1 3.25Å; G65-I68 WeakPolarHBondContact O-CG1 3.36Å; G65-I68 PolarHBondContact O-N 3.42Å; G65-H230 PolarHBondContact O-CE1 3.38Å; G65-H230 PolarHBondContact O-ND1 3.39Å; G65-H230 VanDerWaalsContact O-ND1 3.11Å
66K90.3Very high92.2Very high89 Ų8977.1 Ų77.139%0.38736%0.363SS..G310 helixtrans-68.9-16.9177.863.3177.2171.9169.60115.9N64 Q231 W232 A233N64-K66 PolarHBondContact O-N 3.18Å; K66-Q231 WeakPolarHBondContact CA-O 3.33Å; K66-Q231 WeakPolarHBondContact CB-O 3Å; K66-W232 WeakPolarHBondContact O-CZ3 3.22Å; K66-A233 HydrophobicContact CB-CB 4.14Å; K66-A233 HydrophobicContact CD-CB 4.41Å; K66-A233 HydrophobicContact CG-CB 4.38Å; K66-A233 WeakPolarHBondContact O-CB 3.37Å; K66-A233 PolarHBondContact O-N 3.26Å
67Y91.6Very high92.4Very high142 Ų14274.9 Ų74.956%0.55735%0.351SS*.G310 helixtrans-99.91.9-179-54.2-62.7000113.8N64 G65 W232 A233N64-Y67 HydrophobicContact CB-CD2 4.07Å; N64-Y67 HydrophobicContact CB-CE2 4.44Å; N64-Y67 PolarHBondContact O-N 2.79Å; G65-Y67 VanDerWaalsContact C-N 3.27Å; G65-Y67 PolarHBondContact O-N 3.16Å; Y67-W232 VanDerWaalsContact C-CZ3 3.43Å; Y67-A233 HydrophobicContact CD1-CB 4.45Å
68I92.7Very high92.5Very high28 Ų2875.1 Ų75.114%0.14435%0.353CS..SBendtrans-113.8146.5170.657.5173.5000111.8L61 G65 F73 H230 W232L61-I68 HydrophobicContact CD1-CD1 3.59Å; G65-I68 VanDerWaalsContact O-CG1 3.25Å; G65-I68 WeakPolarHBondContact O-CG1 3.36Å; G65-I68 PolarHBondContact O-N 3.42Å; I68-F73 HydrophobicContact CD1-CB 3.91Å; I68-F73 HydrophobicContact CD1-CD2 4.3Å; I68-F73 HydrophobicContact CG1-CB 4.13Å; I68-H230 PolarHBondContact O-CE1 2.95Å; I68-H230 PolarHBondContact O-NE2 3.33Å; I68-W232 WeakPolarHBondContact O-CZ3 3.34Å
69P92.6Very high92.6Very high68 Ų6880.5 Ų80.544%0.44237%0.374SS..  trans-57.1150.4178.7-26.134.6000112.5Q71 S72 F73 W232P69-Q71 VanDerWaalsContact C-N 3.25Å; P69-Q71 PolarHBondContact O-N 2.88Å; P69-Q71 VanDerWaalsContact O-N 3.13Å; P69-S72 WeakPolarHBondContact O-CA 3.4Å; P69-S72 WeakPolarHBondContact O-CB 3.27Å; P69-S72 PolarHBondContact O-N 3.18Å; P69-F73 PolarHBondContact O-N 3.33Å; P69-W232 HydrophobicContact CG-CH2 4.24Å
70K92.1Very high92.7Very high132 Ų13275.7 Ų75.757%0.57436%0.356SS*.Hα-helixtrans-48.4-44.9-179.4-173.5172.8-178.3172.50113.6S72 F73 L74 H230K70-S72 PolarHBondContact O-N 2.89Å; K70-F73 PolarHBondContact O-N 3.25Å; K70-L74 HydrophobicContact CG-CD1 4.14Å; K70-L74 HydrophobicContact CG-CG 4.48Å; K70-L74 VanDerWaalsContact O-CG 3.31Å; K70-L74 WeakPolarHBondContact O-CG 3.27Å; K70-L74 PolarHBondContact O-N 3.34Å; K70-H230 VanDerWaalsContact CA-CD2 3.42Å; K70-H230 WeakPolarHBondContact CA-CD2 3.21Å; K70-H230 VanDerWaalsContact CB-CD2 3.46Å; K70-H230 WeakPolarHBondContact CB-CD2 3.23Å; K70-H230 HydrophobicContact CG-CB 4.48Å; K70-H230 PolarHBondContact N-NE2 3.08Å
71Q93.6Very high92.7Very high142 Ų14272.7 Ų72.766%0.66434%0.337SS*.Hα-helixtrans-58.7-47.7177.1-69.9-65.5-26.700111.7P69 F73 L74 T75P69-Q71 VanDerWaalsContact C-N 3.25Å; P69-Q71 PolarHBondContact O-N 2.88Å; P69-Q71 VanDerWaalsContact O-N 3.13Å; Q71-F73 VanDerWaalsContact C-N 3.35Å; Q71-F73 PolarHBondContact O-N 3.22Å; Q71-L74 PolarHBondContact O-N 2.96Å; Q71-T75 PolarHBondContact O-N 3.02Å; Q71-T75 PolarHBondContact O-OG1 2.94Å
72S93.8Very high92.5Very high49 Ų4973.1 Ų73.134%0.34334%0.339SS..Hα-helixtrans-64.4-37.5178.2-55.90000112.7P69 K70 R76P69-S72 WeakPolarHBondContact O-CA 3.4Å; P69-S72 WeakPolarHBondContact O-CB 3.27Å; P69-S72 PolarHBondContact O-N 3.18Å; K70-S72 PolarHBondContact O-N 2.89Å; S72-R76 VanDerWaalsContact O-CG 3.28Å; S72-R76 WeakPolarHBondContact O-CG 3.43Å; S72-R76 PolarHBondContact O-N 2.77Å
73F95.1Very high92Very high3 Ų373.4 Ų73.41%0.01335%0.35CS..Hα-helixtrans-62.3-49.4173.3177.9-91.9000111.1L61 I68 P69 K70 Q71 T75 R76 K77 T228 H230L61-F73 HydrophobicContact CD1-CD2 3.63Å; L61-F73 HydrophobicContact CD1-CE2 4.01Å; L61-F73 HydrophobicContact CG-CD2 4.07Å; L61-F73 HydrophobicContact CG-CE2 3.92Å; I68-F73 HydrophobicContact CD1-CB 3.91Å; I68-F73 HydrophobicContact CD1-CD2 4.3Å; I68-F73 HydrophobicContact CG1-CB 4.13Å; P69-F73 PolarHBondContact O-N 3.33Å; K70-F73 PolarHBondContact O-N 3.25Å; Q71-F73 VanDerWaalsContact C-N 3.35Å; Q71-F73 PolarHBondContact O-N 3.22Å; F73-T75 PolarHBondContact O-N 3.11Å; F73-R76 PolarHBondContact O-N 3.08Å; F73-K77 HydrophobicContact CE1-CB 4.38Å; F73-K77 HydrophobicContact CE1-CD 3.91Å; F73-K77 HydrophobicContact CZ-CD 4.43Å; F73-K77 WeakPolarHBondContact O-CB 3.47Å; F73-K77 PolarHBondContact O-N 3.12Å; F73-T228 HydrophobicContact CE2-CG2 4.5Å; F73-T228 HydrophobicContact CZ-CG2 4.05Å; F73-H230 HydrophobicContact CB-CB 4.37Å; F73-H230 HydrophobicContact CD1-CB 3.6Å; F73-H230 HydrophobicContact CE1-CB 3.97Å; F73-H230 HydrophobicContact CG-CB 3.97Å; F73-H230 AromaticContact CG-ND1 3.69Å
74L93.8Very high91.6Very high78 Ų7875.3 Ų75.341%0.40836%0.359SS..Hα-helixtrans-62.5-40.9-179.5-69.1175.3000112.3K70 Q71 R76 K77 Y78K70-L74 HydrophobicContact CG-CD1 4.14Å; K70-L74 HydrophobicContact CG-CG 4.48Å; K70-L74 VanDerWaalsContact O-CG 3.31Å; K70-L74 WeakPolarHBondContact O-CG 3.27Å; K70-L74 PolarHBondContact O-N 3.34Å; Q71-L74 PolarHBondContact O-N 2.96Å; L74-R76 VanDerWaalsContact C-N 3.33Å; L74-R76 PolarHBondContact O-N 3.05Å; L74-K77 PolarHBondContact O-N 3.31Å; L74-Y78 VanDerWaalsContact O-CB 3.3Å; L74-Y78 WeakPolarHBondContact O-CB 3.29Å; L74-Y78 PolarHBondContact O-N 3.07Å
75T93.7Very high91.3Very high94 Ų9476.4 Ų76.458%0.57737%0.365SS*.Hα-helixtrans-61.3-41.1175-52.10000111.9Q71 F73 Y78 Y79Q71-T75 PolarHBondContact O-N 3.02Å; Q71-T75 PolarHBondContact O-OG1 2.94Å; F73-T75 PolarHBondContact O-N 3.11Å; T75-Y78 PolarHBondContact O-N 2.62Å; T75-Y79 PolarHBondContact O-N 3.25Å; T75-Y79 VanDerWaalsContact O-N 3.14Å
76R94.7Very high91.1Very high129 Ų12976.2 Ų76.249%0.48736%0.363SS..Hα-helixtrans-71.8-39.8177.5-67173.3-173.1-171.33.8111.8L61 S72 F73 L74 Y78 Y79 F80L61-R76 HydrophobicContact CD1-CB 3.95Å; L61-R76 HydrophobicContact CD2-CB 3.62Å; L61-R76 HydrophobicContact CG-CB 4.46Å; S72-R76 VanDerWaalsContact O-CG 3.28Å; S72-R76 WeakPolarHBondContact O-CG 3.43Å; S72-R76 PolarHBondContact O-N 2.77Å; F73-R76 PolarHBondContact O-N 3.08Å; L74-R76 VanDerWaalsContact C-N 3.33Å; L74-R76 PolarHBondContact O-N 3.05Å; R76-Y78 VanDerWaalsContact C-N 3.31Å; R76-Y78 PolarHBondContact O-N 3.4Å; R76-Y79 WeakPolarHBondContact O-CB 3.36Å; R76-Y79 PolarHBondContact O-N 3.25Å; R76-F80 WeakPolarHBondContact O-CD2 3.44Å; R76-F80 PolarHBondContact O-N 3.15Å
77K93.7Very high91.1Very high27 Ų2773.5 Ų73.512%0.11735%0.351CS..Hα-helixtrans-59-44.7172.4-178.9168.8-179.3170.60110.3F73 L74 Y79 F80 N81 L225 E226 T228F73-K77 HydrophobicContact CE1-CB 4.38Å; F73-K77 HydrophobicContact CE1-CD 3.91Å; F73-K77 HydrophobicContact CZ-CD 4.43Å; F73-K77 WeakPolarHBondContact O-CB 3.47Å; F73-K77 PolarHBondContact O-N 3.12Å; L74-K77 PolarHBondContact O-N 3.31Å; K77-Y79 PolarHBondContact O-N 3.44Å; K77-F80 PolarHBondContact O-N 2.92Å; K77-N81 WeakPolarHBondContact O-CB 3.4Å; K77-N81 PolarHBondContact O-N 3.15Å; K77-L225 WeakPolarHBondContact CE-O 3.23Å; K77-L225 HydrophobicContact CG-CG 4.21Å; K77-L225 PolarHBondContact NZ-O 3.26Å; K77-L225 VanDerWaalsContact NZ-O 3.16Å; K77-E226 PolarHBondContact NZ-O 3.18Å; K77-T228 PolarHBondContact NZ-O 3.41Å
78Y92.6Very high91Very high147 Ų14767 Ų6758%0.57633%0.326SS*.Hα-helixtrans-59.6-42.7177.3-173.6-99.7000112.6L74 T75 R76 F80 N82L74-Y78 VanDerWaalsContact O-CB 3.3Å; L74-Y78 WeakPolarHBondContact O-CB 3.29Å; L74-Y78 PolarHBondContact O-N 3.07Å; T75-Y78 PolarHBondContact O-N 2.62Å; R76-Y78 VanDerWaalsContact C-N 3.31Å; R76-Y78 PolarHBondContact O-N 3.4Å; Y78-F80 VanDerWaalsContact C-N 3.26Å; Y78-F80 PolarHBondContact O-N 3.24Å; Y78-N82 HydrophobicContact CD1-CB 4.47Å; Y78-N82 HydrophobicContact CD2-CB 4.15Å; Y78-N82 HydrophobicContact CE1-CB 4.33Å; Y78-N82 HydrophobicContact CE2-CB 4Å; Y78-N82 HydrophobicContact CG-CB 4.39Å; Y78-N82 WeakPolarHBondContact O-CB 3.2Å; Y78-N82 PolarHBondContact O-N 2.77Å; Y78-N82 PolarHBondContact OH-ND2 2.99Å; Y78-N82 VanDerWaalsContact OH-ND2 3.12Å
79Y93.5Very high90.6Very high112 Ų11271 Ų7144%0.43934%0.342SS..Hα-helixtrans-56-39.3176.1173.1-97.7000113.3T75 R76 K77 F87T75-Y79 PolarHBondContact O-N 3.25Å; T75-Y79 VanDerWaalsContact O-N 3.14Å; R76-Y79 WeakPolarHBondContact O-CB 3.36Å; R76-Y79 PolarHBondContact O-N 3.25Å; K77-Y79 PolarHBondContact O-N 3.44Å; Y79-F87 HydrophobicContact CE1-CB 4.24Å; Y79-F87 PolarHBondContact O-N 2.82Å
80F93.6Very high90.2Very high7 Ų774.1 Ų74.13%0.03135%0.349CS..Hα-helixtrans-84.9-44.3-178.9-68-61.9000113.1V54 R57 L61 R76 K77 Y78 G86 F87 F88 L225V54-F80 HydrophobicContact CG1-CD1 4.24Å; V54-F80 HydrophobicContact CG1-CE1 3.75Å; R57-F80 HydrophobicContact CB-CZ 4.06Å; L61-F80 HydrophobicContact CD2-CD2 4.07Å; L61-F80 HydrophobicContact CD2-CE2 4.12Å; R76-F80 WeakPolarHBondContact O-CD2 3.44Å; R76-F80 PolarHBondContact O-N 3.15Å; K77-F80 PolarHBondContact O-N 2.92Å; Y78-F80 VanDerWaalsContact C-N 3.26Å; Y78-F80 PolarHBondContact O-N 3.24Å; F80-G86 CarbonylContact O-C 3.59Å; F80-G86 WeakPolarHBondContact O-CA 3.39Å; F80-F87 HydrophobicContact CD1-CB 4.35Å; F80-F87 PolarHBondContact O-N 3.38Å; F80-F88 HydrophobicContact CB-CD2 3.86Å; F80-F88 HydrophobicContact CB-CE2 3.68Å; F80-F88 HydrophobicContact CD1-CD2 4.42Å; F80-F88 HydrophobicContact CD1-CE1 4.46Å; F80-F88 AromaticContact CD1-CE2 3.81Å; F80-F88 HydrophobicContact CD1-CE2 3.81Å; F80-F88 AromaticContact CD1-CZ 3.83Å; F80-F88 HydrophobicContact CD1-CZ 3.83Å; F80-F88 HydrophobicContact CE1-CZ 4.41Å; F80-F88 AromaticContact CG-CE2 3.93Å; F80-F88 HydrophobicContact CG-CE2 3.93Å; F80-F88 HydrophobicContact CG-CZ 4.36Å; F80-F88 PolarHBondContact O-N 2.87Å; F80-L225 HydrophobicContact CB-CD2 3.54Å; F80-L225 HydrophobicContact CD2-CD2 3.83Å; F80-L225 HydrophobicContact CG-CD2 4.01Å
81N91.4Very high89.8Confident8 Ų869 Ų694%0.04333%0.329CS..Hα-helixtrans-105.5-1.3-165.2-82.628.7000115.7K77 W222 E226K77-N81 WeakPolarHBondContact O-CB 3.4Å; K77-N81 PolarHBondContact O-N 3.15Å; N81-W222 VanDerWaalsContact CG-CD1 3.47Å; N81-W222 PolarHBondContact ND2-O 2.86Å; N81-W222 PolarHBondContact O-NE1 3.45Å; N81-W222 VanDerWaalsContact O-NE1 3.15Å; N81-W222 VanDerWaalsContact OD1-CD1 3.29Å; N81-E226 WeakPolarHBondContact ND2-CA 3.47Å; N81-E226 PolarHBondContact ND2-N 3.46Å; N81-E226 PolarHBondContact ND2-OE2 2.8Å
82N89Confident89.2Confident18 Ų1869 Ų6910%0.09633%0.327CS..  trans-48.1127.2179.5173.1-3.6000111.2Y78 E84 D85 G86Y78-N82 HydrophobicContact CD1-CB 4.47Å; Y78-N82 HydrophobicContact CD2-CB 4.15Å; Y78-N82 HydrophobicContact CE1-CB 4.33Å; Y78-N82 HydrophobicContact CE2-CB 4Å; Y78-N82 HydrophobicContact CG-CB 4.39Å; Y78-N82 WeakPolarHBondContact O-CB 3.2Å; Y78-N82 PolarHBondContact O-N 2.77Å; Y78-N82 PolarHBondContact OH-ND2 2.99Å; Y78-N82 VanDerWaalsContact OH-ND2 3.12Å; N82-E84 PolarHBondContact O-N 3.41Å; N82-E84 PolarHBondContact OD1-N 3.33Å; N82-D85 PolarHBondContact OD1-N 2.74Å; N82-G86 VanDerWaalsContact O-CA 3.26Å; N82-G86 WeakPolarHBondContact O-CA 3.24Å; N82-G86 PolarHBondContact O-N 3.19Å
83P82.1Confident88.5Confident75 Ų7569.2 Ų69.249%0.48732%0.32SS..THydrogen-bonded Turntrans-61.2-25.5-177.924.2-35.3000113.6K89P83-K89 WeakPolarHBondContact O-CD 2.97Å; P83-K89 WeakPolarHBondContact O-CE 3.46Å; P83-K89 PolarHBondContact O-NZ 3.42Å
84E81.8Confident87.3Confident163 Ų16378.2 Ų78.276%0.76236%0.359SS*.THydrogen-bonded Turntrans-97.6-52.1-179.4-60.3-59.1145.500112.1N82N82-E84 PolarHBondContact O-N 3.41Å; N82-E84 PolarHBondContact OD1-N 3.33Å
85D84.5Confident85.7Confident90 Ų9078 Ų7848%0.48136%0.36SS..THydrogen-bonded Turntrans-122.617.5-171.2-163.342.7000114.2N82 F87 K90N82-D85 PolarHBondContact OD1-N 2.74Å; D85-F87 PolarHBondContact O-N 3.22Å; D85-K90 WeakPolarHBondContact OD1-CD 3.31Å; D85-K90 WeakPolarHBondContact OD1-CE 3.37Å; D85-K90 IonicContact OD1-NZ 3.27Å; D85-K90 PolarHBondContact OD1-NZ 3.11Å; D85-K90 IonicContact OD2-NZ 2.72Å
86G87.4Confident84Confident0 Ų078 Ų780%036%0.361CS..  trans-63136.9179.700000112F80 N82 F88 K89 K90F80-G86 CarbonylContact O-C 3.59Å; F80-G86 WeakPolarHBondContact O-CA 3.39Å; N82-G86 VanDerWaalsContact O-CA 3.26Å; N82-G86 WeakPolarHBondContact O-CA 3.24Å; N82-G86 PolarHBondContact O-N 3.19Å; G86-F88 VanDerWaalsContact C-N 3.25Å; G86-F88 PolarHBondContact O-N 2.93Å; G86-F88 VanDerWaalsContact O-N 3.16Å; G86-K89 PolarHBondContact O-N 3.12Å; G86-K90 WeakPolarHBondContact O-CB 3.48Å; G86-K90 PolarHBondContact O-N 2.98Å
87F90Very high81.8Confident31 Ų3175.9 Ų75.914%0.13636%0.363CS..Hα-helixtrans-51.4-43.8-176.2-177.3-84.6000112.7V54 Y79 F80 D85 K89 T91 F218V54-F87 HydrophobicContact CB-CD1 4.44Å; V54-F87 HydrophobicContact CB-CE1 3.92Å; V54-F87 HydrophobicContact CB-CZ 4.23Å; V54-F87 HydrophobicContact CG1-CD1 3.37Å; V54-F87 HydrophobicContact CG1-CE1 3.28Å; V54-F87 HydrophobicContact CG1-CG 4.17Å; V54-F87 HydrophobicContact CG1-CZ 3.99Å; V54-F87 HydrophobicContact CG2-CE1 3.92Å; V54-F87 HydrophobicContact CG2-CE2 4.19Å; V54-F87 HydrophobicContact CG2-CZ 3.73Å; Y79-F87 HydrophobicContact CE1-CB 4.24Å; Y79-F87 PolarHBondContact O-N 2.82Å; F80-F87 HydrophobicContact CD1-CB 4.35Å; F80-F87 PolarHBondContact O-N 3.38Å; D85-F87 PolarHBondContact O-N 3.22Å; F87-K89 VanDerWaalsContact C-N 3.31Å; F87-K89 PolarHBondContact O-N 3.37Å; F87-T91 HydrophobicContact CE1-CG2 4.31Å; F87-T91 HydrophobicContact CZ-CG2 4.11Å; F87-T91 WeakPolarHBondContact O-CB 3.44Å; F87-T91 PolarHBondContact O-N 2.97Å; F87-T91 PolarHBondContact O-OG1 3.26Å; F87-F218 HydrophobicContact CE1-CE2 4.38Å; F87-F218 HydrophobicContact CE1-CZ 4.14Å
88F88.7Confident79.6Confident5 Ų578.9 Ų78.92%0.02239%0.386CS..Hα-helixtrans-71.3-23.6-177.5-65.6-44.2000114.1V54 L55 F80 G86 F218 E221 W222V54-F88 HydrophobicContact CG1-CD1 4.5Å; V54-F88 HydrophobicContact CG1-CE1 3.65Å; V54-F88 HydrophobicContact CG1-CZ 4.13Å; L55-F88 HydrophobicContact CD2-CE1 3.97Å; L55-F88 HydrophobicContact CD2-CZ 4.46Å; F80-F88 HydrophobicContact CB-CD2 3.86Å; F80-F88 HydrophobicContact CB-CE2 3.68Å; F80-F88 HydrophobicContact CD1-CD2 4.42Å; F80-F88 HydrophobicContact CD1-CE1 4.46Å; F80-F88 AromaticContact CD1-CE2 3.81Å; F80-F88 HydrophobicContact CD1-CE2 3.81Å; F80-F88 AromaticContact CD1-CZ 3.83Å; F80-F88 HydrophobicContact CD1-CZ 3.83Å; F80-F88 HydrophobicContact CE1-CZ 4.41Å; F80-F88 AromaticContact CG-CE2 3.93Å; F80-F88 HydrophobicContact CG-CE2 3.93Å; F80-F88 HydrophobicContact CG-CZ 4.36Å; F80-F88 PolarHBondContact O-N 2.87Å; G86-F88 VanDerWaalsContact C-N 3.25Å; G86-F88 PolarHBondContact O-N 2.93Å; G86-F88 VanDerWaalsContact O-N 3.16Å; F88-F218 HydrophobicContact CB-CB 4.16Å; F88-F218 HydrophobicContact CD1-CB 3.83Å; F88-F218 AromaticContact CD1-CD1 3.81Å; F88-F218 HydrophobicContact CD1-CD1 3.81Å; F88-F218 HydrophobicContact CD1-CE1 4.5Å; F88-F218 AromaticContact CD1-CG 3.83Å; F88-F218 HydrophobicContact CD1-CG 3.83Å; F88-F218 AromaticContact CE1-CD1 4Å; F88-F218 HydrophobicContact CE1-CD1 4Å; F88-F218 HydrophobicContact CE1-CE1 4.47Å; F88-F218 HydrophobicContact CE1-CG 4.47Å; F88-F218 HydrophobicContact CG-CB 4.34Å; F88-E221 HydrophobicContact CE1-CB 4.45Å; F88-E221 HydrophobicContact CE2-CB 4.05Å; F88-E221 HydrophobicContact CZ-CB 3.97Å; F88-W222 HydrophobicContact CB-CB 4Å; F88-W222 HydrophobicContact CB-CG 4.47Å; F88-W222 HydrophobicContact CD2-CB 4.1Å; F88-W222 HydrophobicContact CG-CB 4.4Å
89K84.2Confident77.3Confident112 Ų11274.5 Ų74.549%0.48738%0.376SS..Hα-helixtrans-87.5-43.7177.4-166.4177.1178.5-178.50111.4P83 G86 F87 K92P83-K89 WeakPolarHBondContact O-CD 2.97Å; P83-K89 WeakPolarHBondContact O-CE 3.46Å; P83-K89 PolarHBondContact O-NZ 3.42Å; G86-K89 PolarHBondContact O-N 3.12Å; F87-K89 VanDerWaalsContact C-N 3.31Å; F87-K89 PolarHBondContact O-N 3.37Å; K89-K92 WeakPolarHBondContact O-CE 3.34Å
90K85Confident75.3Confident135 Ų13574 Ų7459%0.58739%0.387SS*.Hα-helixtrans-71.2-43.3-178.9179.9177.4-169.6166.10113.1D85 G86 K92D85-K90 WeakPolarHBondContact OD1-CD 3.31Å; D85-K90 WeakPolarHBondContact OD1-CE 3.37Å; D85-K90 IonicContact OD1-NZ 3.27Å; D85-K90 PolarHBondContact OD1-NZ 3.11Å; D85-K90 IonicContact OD2-NZ 2.72Å; G86-K90 WeakPolarHBondContact O-CB 3.48Å; G86-K90 PolarHBondContact O-N 2.98Å; K90-K92 PolarHBondContact O-N 3.1Å; K90-K92 VanDerWaalsContact O-N 3.07Å
91T83.3Confident73.4Confident24 Ų2480.8 Ų80.815%0.14742%0.42CS..  trans-79.499.2-175.7-53.50000109.1F87 R93 F218F87-T91 HydrophobicContact CE1-CG2 4.31Å; F87-T91 HydrophobicContact CZ-CG2 4.11Å; F87-T91 WeakPolarHBondContact O-CB 3.44Å; F87-T91 PolarHBondContact O-N 2.97Å; F87-T91 PolarHBondContact O-OG1 3.26Å; T91-R93 HydrophobicContact CG2-CG 4.36Å; T91-F218 HydrophobicContact CG2-CE2 3.87Å; T91-F218 WeakPolarHBondContact O-CD2 3.11Å
92K81.2Confident71.6Confident143 Ų14384.5 Ų84.562%0.62244%0.444SS*.PPolyproline II helixtrans-100.1120.3168.2-62.9-59.8-178.4-168.60109.3K89 K90 N215K89-K92 WeakPolarHBondContact O-CE 3.34Å; K90-K92 PolarHBondContact O-N 3.1Å; K90-K92 VanDerWaalsContact O-N 3.07Å; K92-N215 WeakPolarHBondContact CA-OD1 3.46Å
93R80.2Confident69.8Low52 Ų5288 Ų8820%0.19646%0.462CS..PPolyproline II helixtrans-94.8149.3176.7-62.1-64.4-174.9-163.71108.8E47 D51 T91 V95 T214 N215 F218E47-R93 WeakPolarHBondContact OE1-CD 3.32Å; E47-R93 IonicContact OE1-CZ 2.7Å; E47-R93 IonicContact OE1-NE 2.88Å; E47-R93 PolarHBondContact OE1-NE 3.45Å; E47-R93 IonicContact OE1-NH1 2.61Å; E47-R93 PolarHBondContact OE1-NH1 3.17Å; D51-R93 IonicContact OD1-CZ 3.45Å; D51-R93 IonicContact OD1-NE 2.66Å; D51-R93 PolarHBondContact OD1-NE 2.79Å; D51-R93 IonicContact OD1-NH2 3.97Å; D51-R93 PolarHBondContact OD1-NH2 3.37Å; D51-R93 WeakPolarHBondContact OD2-CD 3.21Å; D51-R93 WeakPolarHBondContact OD2-CG 3.5Å; D51-R93 IonicContact OD2-CZ 2.65Å; D51-R93 IonicContact OD2-NE 3.14Å; D51-R93 PolarHBondContact OD2-NE 3.08Å; D51-R93 IonicContact OD2-NH2 3.33Å; T91-R93 HydrophobicContact CG2-CG 4.36Å; R93-V95 PolarHBondContact O-N 3.37Å; R93-V95 VanDerWaalsContact O-N 3.1Å; R93-T214 WeakPolarHBondContact CB-OG1 3.39Å; R93-N215 PolarHBondContact N-OD1 3.28Å; R93-N215 PolarHBondContact O-ND2 2.81Å; R93-F218 HydrophobicContact CG-CE2 3.96Å; R93-F218 HydrophobicContact CG-CZ 4.44Å
94K69.6Low68.6Low193 Ų19388.4 Ų88.484%0.83947%0.465SS*.PPolyproline II helixtrans-62.1119.3170.8-69.3-176.5-179.6179.10107.4V96K94-V96 VanDerWaalsContact C-N 3.26Å; K94-V96 PolarHBondContact O-N 3.03Å
95V60Low67.8Low72 Ų7284.7 Ų84.744%0.43645%0.453SS..  trans-66.895.5169-176.50000105.4R93 P97 N215R93-V95 PolarHBondContact O-N 3.37Å; R93-V95 VanDerWaalsContact O-N 3.1Å; V95-P97 WeakPolarHBondContact O-CD 3.49Å; V95-N215 WeakPolarHBondContact CG2-ND2 3.29Å
96V57.1Low66.7Low96 Ų9685.8 Ų85.858%0.58246%0.457SS*.  trans-63.9118.4159.1-177.70000103.6K94K94-V96 VanDerWaalsContact C-N 3.26Å; K94-V96 PolarHBondContact O-N 3.03Å
97P49.6Very low65.6Low84 Ų8488.1 Ų88.155%0.54547%0.469SS..  trans-47.9143.5-178.9-25.432000109.3V95 S99V95-P97 WeakPolarHBondContact O-CD 3.49Å; P97-S99 PolarHBondContact O-N 3.18Å
98P47.7Very low64.7Low90 Ų9089.4 Ų89.458%0.58448%0.48SS*.SBendtrans-66.871.3171.730.6-36000108.9P100 A212P98-P100 VanDerWaalsContact O-CD 3.29Å; P98-P100 WeakPolarHBondContact O-CD 3.44Å; P98-A212 HydrophobicContact CB-CB 3.58Å
99S43.1Very low63.6Low54 Ų5491.1 Ų91.138%0.37849%0.489SS..  trans-104.389.5154.7-68.80000104P97 M101 T102P97-S99 PolarHBondContact O-N 3.18Å; S99-M101 PolarHBondContact O-N 3.42Å; S99-T102 VanDerWaalsContact CB-OG1 3.28Å; S99-T102 WeakPolarHBondContact CB-OG1 3.18Å; S99-T102 PolarHBondContact O-N 2.83Å; S99-T102 PolarHBondContact O-OG1 2.86Å
100P52.5Low62.9Low102 Ų10291.7 Ų91.766%0.66250%0.495SS*.THydrogen-bonded Turntrans-55.5-2.7163.7-17.229.7000112.4P98 L107P98-P100 VanDerWaalsContact O-CD 3.29Å; P98-P100 WeakPolarHBondContact O-CD 3.44Å; P100-L107 WeakPolarHBondContact O-CD1 3.27Å; P100-L107 VanDerWaalsContact O-CD2 3.29Å; P100-L107 WeakPolarHBondContact O-CD2 3.27Å; P100-L107 WeakPolarHBondContact O-CG 3.38Å
101M53.3Low62.3Low149 Ų14990.5 Ų90.573%0.73449%0.493SS*.THydrogen-bonded Turntrans-108.2-7-178.1-64-173.372.600116.6S99 L107S99-M101 PolarHBondContact O-N 3.42Å; M101-L107 HydrophobicContact CB-CD1 4.16Å; M101-L107 HydrophobicContact CG-CD1 3.94Å
102T52.4Low61.9Low87 Ų8793.9 Ų93.953%0.53451%0.506SS..SBendtrans-85-15.5-17539.70000115.2S99 P104S99-T102 VanDerWaalsContact CB-OG1 3.28Å; S99-T102 WeakPolarHBondContact CB-OG1 3.18Å; S99-T102 PolarHBondContact O-N 2.83Å; S99-T102 PolarHBondContact O-OG1 2.86Å; T102-P104 WeakPolarHBondContact O-CD 3.25Å
103D52.2Low61.5Low90 Ų9088.5 Ų88.548%0.48149%0.491SS..  trans-100.691.6163.8-83.8-33.4000108.7T105 M106 L107D103-T105 PolarHBondContact O-N 3.27Å; D103-M106 HydrophobicContact CB-CB 4.24Å; D103-M106 HydrophobicContact CB-CG 4.11Å; D103-M106 PolarHBondContact O-N 3.38Å; D103-M106 VanDerWaalsContact O-N 3.14Å; D103-L107 PolarHBondContact O-N 2.81Å
104P56.7Low61.4Low85 Ų8590.2 Ų90.255%0.55250%0.504SS*.Hα-helixtrans-46.1-34.8169-27.930000111.8T102 T108T102-P104 WeakPolarHBondContact O-CD 3.25Å; P104-T108 VanDerWaalsContact O-CB 3.22Å; P104-T108 WeakPolarHBondContact O-CB 3.4Å; P104-T108 WeakPolarHBondContact O-CG2 3.09Å; P104-T108 PolarHBondContact O-N 2.73Å; P104-T108 PolarHBondContact O-OG1 3.47Å
105T64.9Low61.9Low84 Ų8484.4 Ų84.452%0.51549%0.485SS..Hα-helixtrans-61.8-51.9179.854.70000112.2D103 L107 T108 D109D103-T105 PolarHBondContact O-N 3.27Å; T105-L107 PolarHBondContact O-N 3.43Å; T105-T108 WeakPolarHBondContact CA-OG1 3.47Å; T105-T108 PolarHBondContact O-N 3.37Å; T105-T108 PolarHBondContact O-OG1 2.99Å; T105-D109 WeakPolarHBondContact O-CB 3.4Å; T105-D109 VanDerWaalsContact O-CG 3.23Å; T105-D109 PolarHBondContact O-N 2.69Å
106M61.6Low62.9Low114 Ų11482.2 Ų82.256%0.56247%0.471SS*.Hα-helixtrans-64.5-43.1-179-69.9-167.673.300112.7D103 D109 M110D103-M106 HydrophobicContact CB-CB 4.24Å; D103-M106 HydrophobicContact CB-CG 4.11Å; D103-M106 PolarHBondContact O-N 3.38Å; D103-M106 VanDerWaalsContact O-N 3.14Å; M106-D109 PolarHBondContact O-N 3.28Å; M106-M110 PolarHBondContact O-N 3.07Å
107L64.9Low63.9Low48 Ų4878.6 Ų78.625%0.25145%0.449SS..Hα-helixtrans-63.9-45.3173.7-78.2-173.7000111.4P100 M101 D103 T105 D109 M110 M111P100-L107 WeakPolarHBondContact O-CD1 3.27Å; P100-L107 VanDerWaalsContact O-CD2 3.29Å; P100-L107 WeakPolarHBondContact O-CD2 3.27Å; P100-L107 WeakPolarHBondContact O-CG 3.38Å; M101-L107 HydrophobicContact CB-CD1 4.16Å; M101-L107 HydrophobicContact CG-CD1 3.94Å; D103-L107 PolarHBondContact O-N 2.81Å; T105-L107 PolarHBondContact O-N 3.43Å; L107-D109 PolarHBondContact O-N 3.13Å; L107-M110 HydrophobicContact CD2-CE 4.17Å; L107-M110 PolarHBondContact O-N 3.32Å; L107-M111 WeakPolarHBondContact O-CB 3.12Å; L107-M111 WeakPolarHBondContact O-CG 3.34Å; L107-M111 PolarHBondContact O-N 2.95Å
108T70.3Confident65.5Low59 Ų5977.2 Ų77.236%0.36244%0.439SS..Hα-helixtrans-61.1-34.6178.3620000111.2P104 T105 K112P104-T108 VanDerWaalsContact O-CB 3.22Å; P104-T108 WeakPolarHBondContact O-CB 3.4Å; P104-T108 WeakPolarHBondContact O-CG2 3.09Å; P104-T108 PolarHBondContact O-N 2.73Å; P104-T108 PolarHBondContact O-OG1 3.47Å; T105-T108 WeakPolarHBondContact CA-OG1 3.47Å; T105-T108 PolarHBondContact O-N 3.37Å; T105-T108 PolarHBondContact O-OG1 2.99Å; T108-K112 WeakPolarHBondContact O-CB 3.34Å; T108-K112 WeakPolarHBondContact O-CD 3.44Å; T108-K112 WeakPolarHBondContact O-CG 3.29Å; T108-K112 PolarHBondContact O-N 3.26Å
109D66.7Low67.3Low41 Ų4176.9 Ų76.922%0.21943%0.431CS..Hα-helixtrans-77.7-38.7179.9-67.3-17.2000112.7T105 M106 L107 M111 K112 G113T105-D109 WeakPolarHBondContact O-CB 3.4Å; T105-D109 VanDerWaalsContact O-CG 3.23Å; T105-D109 PolarHBondContact O-N 2.69Å; M106-D109 PolarHBondContact O-N 3.28Å; L107-D109 PolarHBondContact O-N 3.13Å; D109-M111 VanDerWaalsContact C-N 3.33Å; D109-K112 PolarHBondContact O-N 3.16Å; D109-K112 IonicContact OD1-NZ 3.63Å; D109-K112 PolarHBondContact OD1-NZ 3.33Å; D109-G113 PolarHBondContact O-N 3.2Å
110M69.6Low69.2Low123 Ų12375.4 Ų75.461%0.60642%0.421SS*.Hα-helixtrans-64-42.9171.2-174.2-177.575.100110.6M106 L107 G113 N114M106-M110 PolarHBondContact O-N 3.07Å; L107-M110 HydrophobicContact CD2-CE 4.17Å; L107-M110 PolarHBondContact O-N 3.32Å; M110-G113 PolarHBondContact O-N 3.1Å; M110-N114 WeakPolarHBondContact O-CB 3.38Å; M110-N114 PolarHBondContact O-N 2.78Å
111M72.4Confident70.7Confident111 Ų11173.3 Ų73.355%0.54740%0.403SS..Hα-helixtrans-63.4-45.9173.5-73.2-178.672.200110.7L107 D109 G113 N114 V115L107-M111 WeakPolarHBondContact O-CB 3.12Å; L107-M111 WeakPolarHBondContact O-CG 3.34Å; L107-M111 PolarHBondContact O-N 2.95Å; D109-M111 VanDerWaalsContact C-N 3.33Å; M111-G113 VanDerWaalsContact C-N 3.33Å; M111-G113 PolarHBondContact O-N 3.37Å; M111-N114 PolarHBondContact O-N 2.7Å; M111-V115 WeakPolarHBondContact O-CA 3.49Å; M111-V115 WeakPolarHBondContact O-CB 3.44Å; M111-V115 WeakPolarHBondContact O-CG2 3.27Å; M111-V115 PolarHBondContact O-N 2.81Å
112K73.6Confident72.4Confident94 Ų9471.5 Ų71.541%0.40940%0.395SS..Hα-helixtrans-58.2-46.5175.7-78.4166.5-158.8161.80110.5T108 D109 T116T108-K112 WeakPolarHBondContact O-CB 3.34Å; T108-K112 WeakPolarHBondContact O-CD 3.44Å; T108-K112 WeakPolarHBondContact O-CG 3.29Å; T108-K112 PolarHBondContact O-N 3.26Å; D109-K112 PolarHBondContact O-N 3.16Å; D109-K112 IonicContact OD1-NZ 3.63Å; D109-K112 PolarHBondContact OD1-NZ 3.33Å; K112-T116 VanDerWaalsContact O-CB 3.26Å; K112-T116 WeakPolarHBondContact O-CB 3.29Å; K112-T116 WeakPolarHBondContact O-CG2 3.38Å; K112-T116 PolarHBondContact O-N 3.39Å; K112-T116 PolarHBondContact O-OG1 3.48Å
113G74Confident74.1Confident31 Ų3172.6 Ų72.632%0.3240%0.397SS..Hα-helixtrans-60.9-49.2176.500000112D109 M110 M111 T116 N117D109-G113 PolarHBondContact O-N 3.2Å; M110-G113 PolarHBondContact O-N 3.1Å; M111-G113 VanDerWaalsContact C-N 3.33Å; M111-G113 PolarHBondContact O-N 3.37Å; G113-T116 PolarHBondContact O-OG1 2.77Å; G113-N117 WeakPolarHBondContact O-CB 3.4Å; G113-N117 PolarHBondContact O-N 3.03Å; G113-N117 PolarHBondContact O-ND2 2.94Å
114N77.7Confident75.8Confident88 Ų8869 Ų6947%0.47138%0.378SS..Hα-helixtrans-68.9-42179.8-163.923.2000112.2M110 M111 N117 V118M110-N114 WeakPolarHBondContact O-CB 3.38Å; M110-N114 PolarHBondContact O-N 2.78Å; M111-N114 PolarHBondContact O-N 2.7Å; N114-N117 PolarHBondContact O-N 3.41Å; N114-V118 VanDerWaalsContact O-CB 3.31Å; N114-V118 WeakPolarHBondContact O-CB 3.3Å; N114-V118 VanDerWaalsContact O-CG2 3.26Å; N114-V118 WeakPolarHBondContact O-CG2 3.43Å; N114-V118 PolarHBondContact O-N 3.38Å; N114-V118 WeakPolarHBondContact OD1-CG2 3.39Å
115V80.6Confident77.2Confident71 Ų7165.8 Ų65.843%0.4336%0.36SS..Hα-helixtrans-65.4-45.8178.4171.10000110.6M111 N117 V118 L119M111-V115 WeakPolarHBondContact O-CA 3.49Å; M111-V115 WeakPolarHBondContact O-CB 3.44Å; M111-V115 WeakPolarHBondContact O-CG2 3.27Å; M111-V115 PolarHBondContact O-N 2.81Å; V115-N117 PolarHBondContact O-N 3.35Å; V115-N117 VanDerWaalsContact O-N 3.11Å; V115-V118 PolarHBondContact O-N 3.28Å; V115-L119 HydrophobicContact CG1-CB 4.17Å; V115-L119 HydrophobicContact CG1-CD2 4.36Å; V115-L119 WeakPolarHBondContact O-CA 3.21Å; V115-L119 WeakPolarHBondContact O-CB 3.16Å; V115-L119 PolarHBondContact O-N 3.16Å
116T80.9Confident78.4Confident25 Ų2563.2 Ų63.215%0.15335%0.35CS..Hα-helixtrans-59.2-26.7176.1510000112.4L38 K112 G113 P120L38-T116 HydrophobicContact CD1-CG2 3.29Å; K112-T116 VanDerWaalsContact O-CB 3.26Å; K112-T116 WeakPolarHBondContact O-CB 3.29Å; K112-T116 WeakPolarHBondContact O-CG2 3.38Å; K112-T116 PolarHBondContact O-N 3.39Å; K112-T116 PolarHBondContact O-OG1 3.48Å; G113-T116 PolarHBondContact O-OG1 2.77Å; T116-P120 WeakPolarHBondContact O-CD 3.35Å; T116-P120 WeakPolarHBondContact O-CG 3.26Å
117N77.4Confident79.7Confident20 Ų2064.1 Ų64.111%0.10735%0.348CS..Hα-helixtrans-89.1-38.4179.3-69.4-35.6000114R31 G113 N114 V115 M198R31-N117 PolarHBondContact NH1-O 3.48Å; R31-N117 PolarHBondContact NH2-OD1 3.37Å; G113-N117 WeakPolarHBondContact O-CB 3.4Å; G113-N117 PolarHBondContact O-N 3.03Å; G113-N117 PolarHBondContact O-ND2 2.94Å; N114-N117 PolarHBondContact O-N 3.41Å; V115-N117 PolarHBondContact O-N 3.35Å; V115-N117 VanDerWaalsContact O-N 3.11Å; N117-M198 HydrophobicContact CB-CE 3.41Å; N117-M198 VanDerWaalsContact CB-CE 3.41Å; N117-M198 HydrophobicContact CB-SD 3.48Å; N117-M198 WeakPolarHBondContact CB-SD 3.46Å; N117-M198 WeakPolarHBondContact ND2-CE 3.42Å; N117-M198 PolarHBondContact ND2-SD 2.8Å
118V83Confident80.9Confident55 Ų5562 Ų6233%0.33334%0.337SS..Hα-helixtrans-85.3-36.4-177.7171.90000111.9N114 V115 M121 I122N114-V118 VanDerWaalsContact O-CB 3.31Å; N114-V118 WeakPolarHBondContact O-CB 3.3Å; N114-V118 VanDerWaalsContact O-CG2 3.26Å; N114-V118 WeakPolarHBondContact O-CG2 3.43Å; N114-V118 PolarHBondContact O-N 3.38Å; N114-V118 WeakPolarHBondContact OD1-CG2 3.39Å; V115-V118 PolarHBondContact O-N 3.28Å; V118-M121 WeakPolarHBondContact O-CB 3.31Å; V118-M121 PolarHBondContact O-N 3.41Å; V118-I122 HydrophobicContact CG1-CD1 3.6Å; V118-I122 HydrophobicContact CG1-CG1 4.04Å; V118-I122 PolarHBondContact O-N 2.82Å; V118-I122 VanDerWaalsContact O-N 3.1Å
119L86Confident81.7Confident83 Ų8362.3 Ų62.344%0.43534%0.336SS..Hα-helixtrans-57.2-45.6-176.2179.866.5000112.6V115 M121 I122 L123V115-L119 HydrophobicContact CG1-CB 4.17Å; V115-L119 HydrophobicContact CG1-CD2 4.36Å; V115-L119 WeakPolarHBondContact O-CA 3.21Å; V115-L119 WeakPolarHBondContact O-CB 3.16Å; V115-L119 PolarHBondContact O-N 3.16Å; L119-M121 VanDerWaalsContact C-N 3.28Å; L119-M121 PolarHBondContact O-N 2.97Å; L119-I122 PolarHBondContact O-N 2.89Å; L119-L123 HydrophobicContact CD1-CD1 3.9Å; L119-L123 HydrophobicContact CD1-CD2 4.45Å; L119-L123 HydrophobicContact CD1-CG 3.95Å; L119-L123 HydrophobicContact CD2-CD1 4.47Å; L119-L123 HydrophobicContact CG-CD1 3.81Å; L119-L123 HydrophobicContact CG-CG 4.26Å; L119-L123 WeakPolarHBondContact O-CB 3.32Å; L119-L123 WeakPolarHBondContact O-CG 3.27Å; L119-L123 PolarHBondContact O-N 2.61Å
120P83.5Confident82.7Confident23 Ų2367.3 Ų67.315%0.14936%0.359CS..Hα-helixtrans-60.9-36.2176.5-24.635.8000113.2V27 T116 I124V27-P120 HydrophobicContact CG1-CB 4.12Å; T116-P120 WeakPolarHBondContact O-CD 3.35Å; T116-P120 WeakPolarHBondContact O-CG 3.26Å; P120-I124 WeakPolarHBondContact O-CB 3.1Å; P120-I124 WeakPolarHBondContact O-CG1 3.46Å; P120-I124 PolarHBondContact O-N 2.68Å
121M84Confident83.6Confident58 Ų5864.3 Ų64.329%0.28635%0.348SS..Hα-helixtrans-65.3-44.1177.8-63.3178.3177.700111.6V118 L119 G125 Q195V118-M121 WeakPolarHBondContact O-CB 3.31Å; V118-M121 PolarHBondContact O-N 3.41Å; L119-M121 VanDerWaalsContact C-N 3.28Å; L119-M121 PolarHBondContact O-N 2.97Å; M121-G125 VanDerWaalsContact O-CA 3.31Å; M121-G125 WeakPolarHBondContact O-CA 2.93Å; M121-G125 PolarHBondContact O-N 2.91Å; M121-Q195 HydrophobicContact CE-CG 4.1Å
122I87.4Confident84.3Confident111 Ų11160.3 Ų60.357%0.56933%0.328SS*.Hα-helixtrans-67.1-45.6179.7-64.7176.9000110.2V118 L119 G126V118-I122 HydrophobicContact CG1-CD1 3.6Å; V118-I122 HydrophobicContact CG1-CG1 4.04Å; V118-I122 PolarHBondContact O-N 2.82Å; V118-I122 VanDerWaalsContact O-N 3.1Å; L119-I122 PolarHBondContact O-N 2.89Å; I122-G126 WeakPolarHBondContact O-CA 3.06Å; I122-G126 PolarHBondContact O-N 3.1Å
123L88.7Confident84.9Confident110 Ų11059 Ų5958%0.57633%0.33SS*.Hα-helixtrans-65.3-49.5-178.1-69.4176.8000111.9L119 W127L119-L123 HydrophobicContact CD1-CD1 3.9Å; L119-L123 HydrophobicContact CD1-CD2 4.45Å; L119-L123 HydrophobicContact CD1-CG 3.95Å; L119-L123 HydrophobicContact CD2-CD1 4.47Å; L119-L123 HydrophobicContact CG-CD1 3.81Å; L119-L123 HydrophobicContact CG-CG 4.26Å; L119-L123 WeakPolarHBondContact O-CB 3.32Å; L119-L123 WeakPolarHBondContact O-CG 3.27Å; L119-L123 PolarHBondContact O-N 2.61Å; L123-W127 VanDerWaalsContact O-CB 3.27Å; L123-W127 WeakPolarHBondContact O-CB 3.08Å; L123-W127 PolarHBondContact O-N 2.71Å
124I87.2Confident85.3Confident15 Ų1559.7 Ų59.78%0.07734%0.337CS..Hα-helixtrans-71.6-44.6180-61.2164.5000110.6V27 P120 G126 W127 I128 Y172V27-I124 HydrophobicContact CB-CD1 3.74Å; V27-I124 HydrophobicContact CG1-CD1 3.48Å; V27-I124 VanDerWaalsContact CG1-CD1 3.48Å; V27-I124 HydrophobicContact CG1-CG1 4.41Å; V27-I124 HydrophobicContact CG2-CD1 3.99Å; V27-I124 HydrophobicContact CG2-CG1 4.48Å; P120-I124 WeakPolarHBondContact O-CB 3.1Å; P120-I124 WeakPolarHBondContact O-CG1 3.46Å; P120-I124 PolarHBondContact O-N 2.68Å; I124-G126 VanDerWaalsContact C-N 3.32Å; I124-G126 PolarHBondContact O-N 3.38Å; I124-W127 WeakPolarHBondContact O-CB 3.48Å; I124-W127 PolarHBondContact O-N 3.41Å; I124-I128 HydrophobicContact CG2-CD1 3.63Å; I124-I128 HydrophobicContact CG2-CG1 4.16Å; I124-I128 WeakPolarHBondContact O-CB 3.26Å; I124-I128 VanDerWaalsContact O-CG1 3.28Å; I124-I128 WeakPolarHBondContact O-CG1 3.17Å; I124-I128 PolarHBondContact O-N 2.91Å; I124-Y172 HydrophobicContact CB-CD2 4.5Å; I124-Y172 HydrophobicContact CB-CE1 4.48Å; I124-Y172 HydrophobicContact CB-CE2 3.82Å; I124-Y172 HydrophobicContact CD1-CE2 3.87Å; I124-Y172 HydrophobicContact CG1-CE2 4.47Å; I124-Y172 HydrophobicContact CG2-CD2 3.53Å; I124-Y172 HydrophobicContact CG2-CE1 4.34Å; I124-Y172 HydrophobicContact CG2-CE2 3.29Å; I124-Y172 HydrophobicContact CG2-CG 4.15Å
125G87.3Confident85.8Confident17 Ų1760 Ų6018%0.17534%0.335CS..Hα-helixtrans-58.5-44.7176.900000111.7M121 I128 N129M121-G125 VanDerWaalsContact O-CA 3.31Å; M121-G125 WeakPolarHBondContact O-CA 2.93Å; M121-G125 PolarHBondContact O-N 2.91Å; G125-I128 PolarHBondContact O-N 3.19Å; G125-N129 PolarHBondContact O-N 3.4Å; G125-N129 PolarHBondContact O-ND2 2.79Å
126G89Confident86.1Confident31 Ų3157.2 Ų57.232%0.3232%0.318SS..Hα-helixtrans-61.8-47.317400000112.3I122 I124 I128 N129 M130I122-G126 WeakPolarHBondContact O-CA 3.06Å; I122-G126 PolarHBondContact O-N 3.1Å; I124-G126 VanDerWaalsContact C-N 3.32Å; I124-G126 PolarHBondContact O-N 3.38Å; G126-I128 VanDerWaalsContact C-N 3.33Å; G126-I128 PolarHBondContact O-N 3.32Å; G126-N129 PolarHBondContact O-N 3.31Å; G126-M130 WeakPolarHBondContact O-CG 3.42Å; G126-M130 PolarHBondContact O-N 3.11Å
127W90.4Very high86.3Confident133 Ų13356.2 Ų56.250%0.50431%0.312SS..Hα-helixtrans-57.3-43.4176.4178.3-101.8000113.1L123 I124 M130 T131L123-W127 VanDerWaalsContact O-CB 3.27Å; L123-W127 WeakPolarHBondContact O-CB 3.08Å; L123-W127 PolarHBondContact O-N 2.71Å; I124-W127 WeakPolarHBondContact O-CB 3.48Å; I124-W127 PolarHBondContact O-N 3.41Å; W127-M130 HydrophobicContact CE3-CE 4.12Å; W127-M130 PolarHBondContact O-N 3.15Å; W127-T131 WeakPolarHBondContact O-CB 3.15Å; W127-T131 PolarHBondContact O-N 3.19Å; W127-T131 PolarHBondContact O-OG1 2.78Å
128I88.8Confident86.7Confident4 Ų457.6 Ų57.62%0.02132%0.321CS..Hα-helixtrans-69.3-39.5179.3-68.3174.9000111.1I20 I124 G125 G126 M130 T131 F132 S133 A169 Y172I20-I128 HydrophobicContact CD1-CD1 4.49Å; I20-I128 HydrophobicContact CG1-CD1 4.29Å; I20-I128 HydrophobicContact CG2-CD1 4.04Å; I124-I128 HydrophobicContact CG2-CD1 3.63Å; I124-I128 HydrophobicContact CG2-CG1 4.16Å; I124-I128 WeakPolarHBondContact O-CB 3.26Å; I124-I128 VanDerWaalsContact O-CG1 3.28Å; I124-I128 WeakPolarHBondContact O-CG1 3.17Å; I124-I128 PolarHBondContact O-N 2.91Å; G125-I128 PolarHBondContact O-N 3.19Å; G126-I128 VanDerWaalsContact C-N 3.33Å; G126-I128 PolarHBondContact O-N 3.32Å; I128-M130 VanDerWaalsContact C-N 3.3Å; I128-M130 PolarHBondContact O-N 2.78Å; I128-T131 PolarHBondContact O-N 2.8Å; I128-F132 HydrophobicContact CG1-CD2 4.48Å; I128-F132 HydrophobicContact CG2-CB 4.34Å; I128-F132 CarbonylContact O-C 3.38Å; I128-F132 WeakPolarHBondContact O-CA 3.34Å; I128-F132 PolarHBondContact O-N 2.69Å; I128-S133 PolarHBondContact O-N 2.76Å; I128-A169 HydrophobicContact CG2-CB 4.47Å; I128-Y172 HydrophobicContact CD1-CD1 4.37Å; I128-Y172 HydrophobicContact CD1-CD2 3.91Å; I128-Y172 HydrophobicContact CD1-CG 3.61Å
129N87Confident86.8Confident65 Ų6559.7 Ų59.735%0.34833%0.326SS..Hα-helixtrans-65.7-32.7173.6-79.7-75.2000112.2G125 G126 S133G125-N129 PolarHBondContact O-N 3.4Å; G125-N129 PolarHBondContact O-ND2 2.79Å; G126-N129 PolarHBondContact O-N 3.31Å; N129-S133 WeakPolarHBondContact O-CB 3.17Å
130M87.3Confident86.7Confident145 Ų14556.7 Ų56.771%0.71431%0.311SS*.Hα-helixtrans-74.9-39.7175.6-69.5-175.2-60.400112.8G126 W127 I128G126-M130 WeakPolarHBondContact O-CG 3.42Å; G126-M130 PolarHBondContact O-N 3.11Å; W127-M130 HydrophobicContact CE3-CE 4.12Å; W127-M130 PolarHBondContact O-N 3.15Å; I128-M130 VanDerWaalsContact C-N 3.3Å; I128-M130 PolarHBondContact O-N 2.78Å
131T88.8Confident86.7Confident60 Ų6061.8 Ų61.837%0.36834%0.344SS..Hα-helixtrans-97.4-33.9-168.4-470000113.3W127 I128W127-T131 WeakPolarHBondContact O-CB 3.15Å; W127-T131 PolarHBondContact O-N 3.19Å; W127-T131 PolarHBondContact O-OG1 2.78Å; I128-T131 PolarHBondContact O-N 2.8Å
132F87.5Confident86.8Confident28 Ų2864.8 Ų64.812%0.12336%0.356CS..SBendtrans-128.919.7-169.8-54.9-68.5000113.4V16 I20 I128 F135 S168V16-F132 HydrophobicContact CB-CD1 4.18Å; V16-F132 HydrophobicContact CB-CE1 4.3Å; V16-F132 HydrophobicContact CG1-CB 4.16Å; V16-F132 HydrophobicContact CG1-CD1 3.68Å; V16-F132 HydrophobicContact CG1-CE1 4.18Å; V16-F132 HydrophobicContact CG1-CG 3.95Å; V16-F132 HydrophobicContact CG2-CD1 3.79Å; V16-F132 HydrophobicContact CG2-CE1 3.95Å; I20-F132 HydrophobicContact CD1-CD2 4.14Å; I20-F132 HydrophobicContact CG1-CD2 4.22Å; I20-F132 HydrophobicContact CG1-CE2 4.18Å; I128-F132 HydrophobicContact CG1-CD2 4.48Å; I128-F132 HydrophobicContact CG2-CB 4.34Å; I128-F132 CarbonylContact O-C 3.38Å; I128-F132 WeakPolarHBondContact O-CA 3.34Å; I128-F132 PolarHBondContact O-N 2.69Å; F132-F135 HydrophobicContact CB-CD2 4.38Å; F132-F135 PolarHBondContact O-N 2.98Å; F132-S168 WeakPolarHBondContact O-CB 3.34Å; F132-S168 PolarHBondContact O-OG 3.47Å
133S86Confident86.3Confident65 Ų6565.8 Ų65.846%0.45537%0.369SS..THydrogen-bonded Turntrans-63.8148.1172.2176.20000111.5I128 N129 F135 G155I128-S133 PolarHBondContact O-N 2.76Å; N129-S133 WeakPolarHBondContact O-CB 3.17Å; S133-F135 WeakPolarHBondContact O-CD2 3.49Å; S133-F135 PolarHBondContact O-N 3.15Å; S133-G155 PolarHBondContact OG-O 2.7Å
134G83.8Confident85.8Confident46 Ų4662.2 Ų62.247%0.47435%0.351SS..THydrogen-bonded Turntrans78.2-14.7-175.900000115.9G155G134-G155 PolarHBondContact N-O 2.76Å
135F86.4Confident85.6Confident95 Ų9565.3 Ų65.342%0.41737%0.371SS..  trans-80.4136.9178.8-71.2-85.6000112.5I12 F132 S133 S167 S168I12-F135 HydrophobicContact CD1-CB 4.24Å; I12-F135 HydrophobicContact CD1-CD1 3.72Å; I12-F135 HydrophobicContact CD1-CG 4.43Å; I12-F135 HydrophobicContact CG1-CD1 4.46Å; F132-F135 HydrophobicContact CB-CD2 4.38Å; F132-F135 PolarHBondContact O-N 2.98Å; S133-F135 WeakPolarHBondContact O-CD2 3.49Å; S133-F135 PolarHBondContact O-N 3.15Å; F135-S167 WeakPolarHBondContact O-CA 3.48Å; F135-S168 WeakPolarHBondContact CB-OG 3.48Å; F135-S168 PolarHBondContact O-N 2.84Å; F135-S168 VanDerWaalsContact O-N 3.16Å; F135-S168 PolarHBondContact O-OG 3.33Å
136V86.8Confident85.2Confident13 Ų1370.7 Ų70.78%0.07940%0.395CS..EExtended strand (participates in β ladder)trans-98.7125169.7178.50000108.3L8 I12 I156 L161 W165L8-V136 HydrophobicContact CD2-CB 4.17Å; L8-V136 HydrophobicContact CD2-CG1 4.27Å; L8-V136 VanDerWaalsContact CD2-O 3.29Å; L8-V136 WeakPolarHBondContact CD2-O 3.47Å; I12-V136 WeakPolarHBondContact CD1-O 3.23Å; V136-I156 HydrophobicContact CG2-CD1 3.61Å; V136-L161 HydrophobicContact CG2-CD2 3.86Å; V136-W165 HydrophobicContact CG1-CB 3.85Å; V136-W165 HydrophobicContact CG1-CD2 3.9Å; V136-W165 HydrophobicContact CG1-CE3 3.36Å; V136-W165 HydrophobicContact CG1-CG 4.16Å; V136-W165 HydrophobicContact CG1-CZ3 4.18Å
137T85.8Confident84.9Confident3 Ų379.9 Ų79.92%0.01842%0.42CS..EExtended strand (participates in β ladder)trans-96.9-50.1-170.9530000113.3V16 V17 V166 W171V16-T137 HydrophobicContact CG1-CG2 4.05Å; V17-T137 HydrophobicContact CG2-CG2 4.11Å; T137-V166 PolarHBondContact N-O 3.09Å; T137-V166 PolarHBondContact OG1-O 3.06Å; T137-W171 HydrophobicContact CG2-CB 4.23Å; T137-W171 HydrophobicContact CG2-CG 4.46Å
138T85.8Confident84.5Confident50 Ų5078 Ų7831%0.30742%0.415SS..EExtended strand (participates in β ladder)trans-151.2160.1-172.4-172.60000111.7V166 W171T138-V166 HydrophobicContact CG2-CB 3.93Å; T138-V166 HydrophobicContact CG2-CG2 4Å; T138-V166 WeakPolarHBondContact O-CB 3.28Å; T138-V166 PolarHBondContact O-N 3.16Å; T138-W171 HydrophobicContact CG2-CE3 3.79Å; T138-W171 HydrophobicContact CG2-CZ3 3.9Å
139K84.7Confident84.1Confident98 Ų9879.6 Ų79.643%0.42642%0.422SS..EExtended strand (participates in β ladder)trans-107.4126.8173.7-171.8-179.7177.5-177.70108.9S164 W165K139-S164 WeakPolarHBondContact CA-O 3.42Å; K139-S164 WeakPolarHBondContact CE-OG 2.99Å; K139-W165 HydrophobicContact CB-CD2 4.35Å; K139-W165 HydrophobicContact CB-CE3 3.82Å; K139-W165 HydrophobicContact CB-CH2 4.17Å; K139-W165 HydrophobicContact CB-CZ3 3.71Å; K139-W165 HydrophobicContact CD-CH2 4.32Å; K139-W165 HydrophobicContact CD-CZ2 4.17Å; K139-W165 HydrophobicContact CG-CD2 4.47Å; K139-W165 HydrophobicContact CG-CE3 4.42Å; K139-W165 HydrophobicContact CG-CZ3 4.5Å
140V85.2Confident84Confident20 Ų2081.3 Ų81.312%0.12144%0.437CS..  trans-69.2134.7175.4-178.80000109.6F142 L144 S164 V166V140-F142 HydrophobicContact CG1-CD1 3.37Å; V140-F142 HydrophobicContact CG1-CD2 3.74Å; V140-F142 HydrophobicContact CG1-CE1 3.12Å; V140-F142 HydrophobicContact CG1-CE2 3.53Å; V140-F142 HydrophobicContact CG1-CG 3.68Å; V140-F142 HydrophobicContact CG1-CZ 3.21Å; V140-F142 PolarHBondContact O-N 3.36Å; V140-L144 HydrophobicContact CB-CD1 3.87Å; V140-L144 HydrophobicContact CG1-CD1 3.87Å; V140-L144 HydrophobicContact CG1-CG 4.41Å; V140-L144 HydrophobicContact CG2-CD1 3.89Å; V140-S164 PolarHBondContact N-O 3.36Å; V140-V166 HydrophobicContact CG2-CG2 3.55Å
141P82.4Confident83.7Confident131 Ų13179.3 Ų79.385%0.85143%0.427SS*.SBendtrans-79.2-1.2-173.331.5-36.1000114.5
142F87Confident83.4Confident120 Ų12077 Ų7753%0.52641%0.412SS..SBendtrans-118.1147.8-179.951.7-93.6000111.2V140 L144V140-F142 HydrophobicContact CG1-CD1 3.37Å; V140-F142 HydrophobicContact CG1-CD2 3.74Å; V140-F142 HydrophobicContact CG1-CE1 3.12Å; V140-F142 HydrophobicContact CG1-CE2 3.53Å; V140-F142 HydrophobicContact CG1-CG 3.68Å; V140-F142 HydrophobicContact CG1-CZ 3.21Å; V140-F142 PolarHBondContact O-N 3.36Å; F142-L144 HydrophobicContact CD2-CD2 3.95Å; F142-L144 HydrophobicContact CD2-CG 3.9Å; F142-L144 HydrophobicContact CE2-CD1 4.27Å; F142-L144 HydrophobicContact CE2-CD2 3.47Å; F142-L144 VanDerWaalsContact CE2-CD2 3.47Å; F142-L144 HydrophobicContact CE2-CG 3.76Å; F142-L144 PolarHBondContact O-N 3.47Å
143P77.4Confident83.1Confident132 Ų13276.3 Ų76.386%0.85741%0.409SS*.PPolyproline II helixtrans-64.8121.4178.327-33.7000109.7
144L77.8Confident82.9Confident35 Ų3577.8 Ų77.818%0.18341%0.409CS..PPolyproline II helixtrans-102138.6178.4-82.1167.9000110.5V140 F142 F148 L152V140-L144 HydrophobicContact CB-CD1 3.87Å; V140-L144 HydrophobicContact CG1-CD1 3.87Å; V140-L144 HydrophobicContact CG1-CG 4.41Å; V140-L144 HydrophobicContact CG2-CD1 3.89Å; F142-L144 HydrophobicContact CD2-CD2 3.95Å; F142-L144 HydrophobicContact CD2-CG 3.9Å; F142-L144 HydrophobicContact CE2-CD1 4.27Å; F142-L144 HydrophobicContact CE2-CD2 3.47Å; F142-L144 VanDerWaalsContact CE2-CD2 3.47Å; F142-L144 HydrophobicContact CE2-CG 3.76Å; F142-L144 PolarHBondContact O-N 3.47Å; L144-F148 HydrophobicContact CD2-CB 4.31Å; L144-F148 HydrophobicContact CD2-CD2 3.75Å; L144-F148 HydrophobicContact CD2-CE2 4.22Å; L144-F148 HydrophobicContact CD2-CG 4.01Å; L144-L152 HydrophobicContact CD1-CD1 3.32Å
145T82.1Confident82.6Confident81 Ų8177.2 Ų77.250%0.49740%0.403SS..PPolyproline II helixtrans-68.2149.8173.169.90000110.4R147 F148T145-R147 PolarHBondContact O-N 2.91Å; T145-F148 PolarHBondContact O-N 3.38Å; T145-F148 VanDerWaalsContact OG1-CD2 3.29Å; T145-F148 WeakPolarHBondContact OG1-CD2 3.39Å; T145-F148 WeakPolarHBondContact OG1-CE2 2.92Å
146L80Confident82.4Confident130 Ų13073.7 Ų73.768%0.68139%0.389SS*.G310 helixtrans-56.1-19.6179.6-172.961.9000113.5F148 K149L146-F148 PolarHBondContact O-N 2.94Å; L146-K149 HydrophobicContact CD1-CB 4.2Å; L146-K149 HydrophobicContact CD1-CD 3.63Å; L146-K149 WeakPolarHBondContact O-CB 3.25Å; L146-K149 PolarHBondContact O-N 2.89Å
147R82.5Confident81.8Confident224 Ų22482.4 Ų82.485%0.84543%0.428SS*.G310 helixtrans-64.5-24.8176.3-63.7-174.6177.9-179.20.1113.8T145 K149T145-R147 PolarHBondContact O-N 2.91Å; R147-K149 VanDerWaalsContact C-N 3.33Å
148F80.8Confident81.3Confident92 Ų9286.6 Ų86.640%0.40445%0.45SS..G310 helixtrans-82.9-11.4177.5-67.7-77.4000113.2L144 T145 L146 M151 L152L144-F148 HydrophobicContact CD2-CB 4.31Å; L144-F148 HydrophobicContact CD2-CD2 3.75Å; L144-F148 HydrophobicContact CD2-CE2 4.22Å; L144-F148 HydrophobicContact CD2-CG 4.01Å; T145-F148 PolarHBondContact O-N 3.38Å; T145-F148 VanDerWaalsContact OG1-CD2 3.29Å; T145-F148 WeakPolarHBondContact OG1-CD2 3.39Å; T145-F148 WeakPolarHBondContact OG1-CE2 2.92Å; L146-F148 PolarHBondContact O-N 2.94Å; F148-M151 HydrophobicContact CD1-SD 4.35Å; F148-M151 WeakPolarHBondContact O-CB 3.05Å; F148-M151 PolarHBondContact O-N 2.77Å; F148-M151 VanDerWaalsContact O-N 3.07Å; F148-L152 HydrophobicContact CB-CD1 4.28Å; F148-L152 PolarHBondContact O-N 3.44Å
149K81.2Confident80.6Confident38 Ų3891.6 Ų91.617%0.16547%0.474CS..Hα-helixtrans-54.3-51.8-178.1-171170.3178.21620114L146 R147 M151 L152 Q153 L159 L161 A163L146-K149 HydrophobicContact CD1-CB 4.2Å; L146-K149 HydrophobicContact CD1-CD 3.63Å; L146-K149 WeakPolarHBondContact O-CB 3.25Å; L146-K149 PolarHBondContact O-N 2.89Å; R147-K149 VanDerWaalsContact C-N 3.33Å; K149-M151 PolarHBondContact O-N 2.9Å; K149-L152 PolarHBondContact O-N 2.62Å; K149-Q153 HydrophobicContact CG-CG 4.42Å; K149-Q153 WeakPolarHBondContact O-CB 3.35Å; K149-Q153 PolarHBondContact O-N 3.31Å; K149-L159 PolarHBondContact NZ-O 2.65Å; K149-L161 WeakPolarHBondContact CE-O 3.46Å; K149-L161 PolarHBondContact NZ-O 3.19Å; K149-A163 HydrophobicContact CB-CB 4.13Å
150P84.1Confident80.3Confident101 Ų10193.4 Ų93.466%0.65649%0.494SS*.Hα-helixtrans-62.7-27178.424.4-35000113.3
151M82.4Confident80Confident104 Ų10493.1 Ų93.151%0.51249%0.491SS..Hα-helixtrans-76.8-38.8178-179.9-176.8173.900112.2F148 K149 S170F148-M151 HydrophobicContact CD1-SD 4.35Å; F148-M151 WeakPolarHBondContact O-CB 3.05Å; F148-M151 PolarHBondContact O-N 2.77Å; F148-M151 VanDerWaalsContact O-N 3.07Å; K149-M151 PolarHBondContact O-N 2.9Å; M151-S170 WeakPolarHBondContact O-CB 3.22Å; M151-S170 PolarHBondContact O-OG 2.84Å
152L81.5Confident80Confident12 Ų1291.3 Ų91.36%0.06347%0.474CS..Hα-helixtrans-92.7-20.7-175-69.1177.3000114.4L144 F148 K149 V166 S167 S170L144-L152 HydrophobicContact CD1-CD1 3.32Å; F148-L152 HydrophobicContact CB-CD1 4.28Å; F148-L152 PolarHBondContact O-N 3.44Å; K149-L152 PolarHBondContact O-N 2.62Å; L152-V166 HydrophobicContact CD2-CG1 4.41Å; L152-V166 HydrophobicContact CD2-CG2 4.31Å; L152-S167 PolarHBondContact O-N 2.7Å; L152-S167 PolarHBondContact O-OG 3.3Å; L152-S170 VanDerWaalsContact CA-OG 3.24Å; L152-S170 WeakPolarHBondContact CA-OG 3.19Å; L152-S170 VanDerWaalsContact O-CB 3.25Å; L152-S170 WeakPolarHBondContact O-CB 3.47Å; L152-S170 PolarHBondContact O-OG 3.42Å
153Q82.6Confident79.6Confident13 Ų1385.8 Ų85.86%0.06145%0.451CS..SBendtrans-113.525.3-178.3-62.6-176.9-0.900112.2K149 G155 I156 L161 D162 W165K149-Q153 HydrophobicContact CG-CG 4.42Å; K149-Q153 WeakPolarHBondContact O-CB 3.35Å; K149-Q153 PolarHBondContact O-N 3.31Å; Q153-G155 PolarHBondContact O-N 3.38Å; Q153-I156 PolarHBondContact O-N 2.84Å; Q153-L161 HydrophobicContact CG-CD2 4.43Å; Q153-D162 PolarHBondContact NE2-O 3.25Å; Q153-W165 WeakPolarHBondContact CG-O 3.05Å
154Q80.4Confident79.9Confident95 Ų9579.8 Ų79.844%0.44441%0.412SS..THydrogen-bonded Turntrans-59.1127.6174.2-170.4176.62.900109.4S167Q154-S167 VanDerWaalsContact O-CB 3.32Å; Q154-S167 WeakPolarHBondContact O-CB 3.45Å; Q154-S167 PolarHBondContact O-OG 3.42Å
155G78.9Confident80.3Confident34 Ų3479.4 Ų79.435%0.35141%0.408SS..THydrogen-bonded Turntrans85.210.3-176.400000115.2S133 G134 Q153S133-G155 PolarHBondContact OG-O 2.7Å; G134-G155 PolarHBondContact N-O 2.76Å; Q153-G155 PolarHBondContact O-N 3.38Å
156I81.4Confident80.7Confident22 Ų2275.5 Ų75.511%0.11339%0.385CS..  trans-122.5124.7175-53.3-177.8000109.5V136 Q153 L158 L161V136-I156 HydrophobicContact CG2-CD1 3.61Å; Q153-I156 PolarHBondContact O-N 2.84Å; I156-L158 VanDerWaalsContact C-N 3.31Å; I156-L158 HydrophobicContact CG2-CB 3.88Å; I156-L158 HydrophobicContact CG2-CD1 3.74Å; I156-L158 HydrophobicContact CG2-CG 4.09Å; I156-L158 PolarHBondContact O-N 2.85Å; I156-L161 HydrophobicContact CG2-CD2 4.47Å
157E75Confident81.1Confident195 Ų19569.4 Ų69.491%0.91135%0.353SS*.  trans-91.622.4-178.2-62-174.7169.200113.7L159E157-L159 PolarHBondContact O-N 2.88Å
158L74.5Confident81.5Confident91 Ų9158.8 Ų58.848%0.47631%0.313SS..  trans-94.892.3-176.5-74.5155.1000111.5I156 T160 L161I156-L158 VanDerWaalsContact C-N 3.31Å; I156-L158 HydrophobicContact CG2-CB 3.88Å; I156-L158 HydrophobicContact CG2-CD1 3.74Å; I156-L158 HydrophobicContact CG2-CG 4.09Å; I156-L158 PolarHBondContact O-N 2.85Å; L158-T160 PolarHBondContact O-N 3Å; L158-L161 HydrophobicContact CB-CB 4.04Å; L158-L161 WeakPolarHBondContact O-CB 3.38Å; L158-L161 PolarHBondContact O-N 2.87Å
159L71.2Confident81.9Confident155 Ų15554.8 Ų54.881%0.81230%0.297SS*.THydrogen-bonded Turntrans-61.2-27.2178.5-69.6173.6000113.8K149 E157 L161K149-L159 PolarHBondContact NZ-O 2.65Å; E157-L159 PolarHBondContact O-N 2.88Å; L159-L161 VanDerWaalsContact C-N 3.35Å
160T78.1Confident82.2Confident137 Ų13753.1 Ų53.184%0.8429%0.29SS*.THydrogen-bonded Turntrans-84.8-7.1-178.554.30000113.8L158L158-T160 PolarHBondContact O-N 3Å
161L78.2Confident82.5Confident13 Ų1350.7 Ų50.77%0.06827%0.268CS..SBendtrans-71.5134.2-178.4-166.666.4000110.9L6 V136 K149 Q153 I156 L158 L159 W165L6-L161 HydrophobicContact CD1-CD1 4.26Å; V136-L161 HydrophobicContact CG2-CD2 3.86Å; K149-L161 WeakPolarHBondContact CE-O 3.46Å; K149-L161 PolarHBondContact NZ-O 3.19Å; Q153-L161 HydrophobicContact CG-CD2 4.43Å; I156-L161 HydrophobicContact CG2-CD2 4.47Å; L158-L161 HydrophobicContact CB-CB 4.04Å; L158-L161 WeakPolarHBondContact O-CB 3.38Å; L158-L161 PolarHBondContact O-N 2.87Å; L159-L161 VanDerWaalsContact C-N 3.35Å; L161-W165 HydrophobicContact CD1-CB 4.19Å; L161-W165 HydrophobicContact CD1-CG 3.78Å; L161-W165 HydrophobicContact CD2-CB 3.69Å; L161-W165 HydrophobicContact CD2-CG 4.2Å; L161-W165 HydrophobicContact CG-CB 3.84Å; L161-W165 HydrophobicContact CG-CG 3.93Å
162D82.1Confident82.9Confident93 Ų9346.1 Ų46.150%0.49725%0.245SC..  trans-64142.3175.4-179.831.9000111.4Q153 S164 W165Q153-D162 PolarHBondContact NE2-O 3.25Å; D162-S164 PolarHBondContact O-N 3.19Å; D162-S164 WeakPolarHBondContact OD2-CB 3.49Å; D162-S164 PolarHBondContact OD2-OG 3.43Å; D162-W165 PolarHBondContact O-N 3.18Å; D162-W165 VanDerWaalsContact O-N 3.13Å
163A79.8Confident83.1Confident4 Ų449.3 Ų49.33%0.03326%0.258CS..THydrogen-bonded Turntrans-64.5-12.3-175.300000113.8K149 W165K149-A163 HydrophobicContact CB-CB 4.13Å; A163-W165 VanDerWaalsContact C-N 3.26Å; A163-W165 PolarHBondContact O-N 3.42Å
164S83.8Confident83.4Confident7 Ų751.8 Ų51.85%0.04927%0.272CS..THydrogen-bonded Turntrans-70.4-18.6174.663.20000113.8K139 V140 D162K139-S164 WeakPolarHBondContact CA-O 3.42Å; K139-S164 WeakPolarHBondContact CE-OG 2.99Å; V140-S164 PolarHBondContact N-O 3.36Å; D162-S164 PolarHBondContact O-N 3.19Å; D162-S164 WeakPolarHBondContact OD2-CB 3.49Å; D162-S164 PolarHBondContact OD2-OG 3.43Å
165W86Confident83.8Confident26 Ų2648 Ų4810%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-82.4134.7-180-68.2106.1000112.6L6 L8 V136 K139 Q153 L161 D162 A163L6-W165 HydrophobicContact CB-CH2 4.1Å; L6-W165 HydrophobicContact CB-CZ2 3.55Å; L6-W165 WeakPolarHBondContact O-CH2 3.28Å; L8-W165 HydrophobicContact CD1-CE3 4.24Å; L8-W165 HydrophobicContact CD1-CH2 4.17Å; L8-W165 HydrophobicContact CD1-CZ3 3.4Å; L8-W165 VanDerWaalsContact CD1-CZ3 3.4Å; L8-W165 HydrophobicContact CG-CH2 4.2Å; L8-W165 HydrophobicContact CG-CZ3 3.82Å; V136-W165 HydrophobicContact CG1-CB 3.85Å; V136-W165 HydrophobicContact CG1-CD2 3.9Å; V136-W165 HydrophobicContact CG1-CE3 3.36Å; V136-W165 HydrophobicContact CG1-CG 4.16Å; V136-W165 HydrophobicContact CG1-CZ3 4.18Å; K139-W165 HydrophobicContact CB-CD2 4.35Å; K139-W165 HydrophobicContact CB-CE3 3.82Å; K139-W165 HydrophobicContact CB-CH2 4.17Å; K139-W165 HydrophobicContact CB-CZ3 3.71Å; K139-W165 HydrophobicContact CD-CH2 4.32Å; K139-W165 HydrophobicContact CD-CZ2 4.17Å; K139-W165 HydrophobicContact CG-CD2 4.47Å; K139-W165 HydrophobicContact CG-CE3 4.42Å; K139-W165 HydrophobicContact CG-CZ3 4.5Å; Q153-W165 WeakPolarHBondContact CG-O 3.05Å; L161-W165 HydrophobicContact CD1-CB 4.19Å; L161-W165 HydrophobicContact CD1-CG 3.78Å; L161-W165 HydrophobicContact CD2-CB 3.69Å; L161-W165 HydrophobicContact CD2-CG 4.2Å; L161-W165 HydrophobicContact CG-CB 3.84Å; L161-W165 HydrophobicContact CG-CG 3.93Å; D162-W165 PolarHBondContact O-N 3.18Å; D162-W165 VanDerWaalsContact O-N 3.13Å; A163-W165 VanDerWaalsContact C-N 3.26Å; A163-W165 PolarHBondContact O-N 3.42Å
166V89.4Confident84.1Confident0 Ų047.2 Ų47.20%024%0.243CC..EExtended strand (participates in β ladder)trans-108.6127.7-175.2-174.10000110.5T137 T138 V140 L152 W171 L174T137-V166 PolarHBondContact N-O 3.09Å; T137-V166 PolarHBondContact OG1-O 3.06Å; T138-V166 HydrophobicContact CG2-CB 3.93Å; T138-V166 HydrophobicContact CG2-CG2 4Å; T138-V166 WeakPolarHBondContact O-CB 3.28Å; T138-V166 PolarHBondContact O-N 3.16Å; V140-V166 HydrophobicContact CG2-CG2 3.55Å; L152-V166 HydrophobicContact CD2-CG1 4.41Å; L152-V166 HydrophobicContact CD2-CG2 4.31Å; V166-W171 HydrophobicContact CG1-CB 4.21Å; V166-L174 HydrophobicContact CG1-CD1 3.95Å; V166-L174 HydrophobicContact CG2-CD1 4.4Å
167S90.2Very high84.2Confident2 Ų250.7 Ų50.71%0.01426%0.257CS..EExtended strand (participates in β ladder)trans-74.6163.417378.60000112.3F135 L152 Q154 A169 S170 W171F135-S167 WeakPolarHBondContact O-CA 3.48Å; L152-S167 PolarHBondContact O-N 2.7Å; L152-S167 PolarHBondContact O-OG 3.3Å; Q154-S167 VanDerWaalsContact O-CB 3.32Å; Q154-S167 WeakPolarHBondContact O-CB 3.45Å; Q154-S167 PolarHBondContact O-OG 3.42Å; S167-A169 VanDerWaalsContact C-N 3.26Å; S167-A169 PolarHBondContact O-N 2.96Å; S167-A169 PolarHBondContact OG-N 3.35Å; S167-S170 PolarHBondContact O-N 3.28Å; S167-S170 PolarHBondContact OG-N 2.89Å; S167-S170 PolarHBondContact OG-OG 3.34Å; S167-W171 WeakPolarHBondContact O-CB 3.5Å; S167-W171 PolarHBondContact O-N 2.77Å
168S89.8Confident84.7Confident1 Ų143.7 Ų43.71%0.00724%0.237CC..Hα-helixtrans-57.5-38.3173.4-53.80000113.3F132 F135 W171 Y172F132-S168 WeakPolarHBondContact O-CB 3.34Å; F132-S168 PolarHBondContact O-OG 3.47Å; F135-S168 WeakPolarHBondContact CB-OG 3.48Å; F135-S168 PolarHBondContact O-N 2.84Å; F135-S168 VanDerWaalsContact O-N 3.16Å; F135-S168 PolarHBondContact O-OG 3.33Å; S168-W171 PolarHBondContact O-N 3Å; S168-Y172 PolarHBondContact O-N 3.24Å
169A88.5Confident85.3Confident8 Ų840 Ų407%0.06622%0.218CC..Hα-helixtrans-65.3-45.3177.900000111.3I128 S167 W171 Y172 F173I128-A169 HydrophobicContact CG2-CB 4.47Å; S167-A169 VanDerWaalsContact C-N 3.26Å; S167-A169 PolarHBondContact O-N 2.96Å; S167-A169 PolarHBondContact OG-N 3.35Å; A169-W171 VanDerWaalsContact C-N 3.34Å; A169-Y172 WeakPolarHBondContact O-CB 3.19Å; A169-Y172 PolarHBondContact O-N 3.36Å; A169-F173 WeakPolarHBondContact O-CD2 3.22Å; A169-F173 PolarHBondContact O-N 3.06Å
170S88.5Confident85.7Confident2 Ų235 Ų351%0.01419%0.188CC..Hα-helixtrans-71.1-31.3178.8-56.10000112.4M151 L152 S167 Y172 F173 L174M151-S170 WeakPolarHBondContact O-CB 3.22Å; M151-S170 PolarHBondContact O-OG 2.84Å; L152-S170 VanDerWaalsContact CA-OG 3.24Å; L152-S170 WeakPolarHBondContact CA-OG 3.19Å; L152-S170 VanDerWaalsContact O-CB 3.25Å; L152-S170 WeakPolarHBondContact O-CB 3.47Å; L152-S170 PolarHBondContact O-OG 3.42Å; S167-S170 PolarHBondContact O-N 3.28Å; S167-S170 PolarHBondContact OG-N 2.89Å; S167-S170 PolarHBondContact OG-OG 3.34Å; S170-Y172 VanDerWaalsContact C-N 3.31Å; S170-Y172 PolarHBondContact O-N 2.8Å; S170-F173 WeakPolarHBondContact O-CB 3.27Å; S170-F173 PolarHBondContact O-N 3.24Å; S170-L174 WeakPolarHBondContact O-CG 3.49Å; S170-L174 PolarHBondContact O-N 2.88Å
171W90.6Very high85.9Confident51 Ų5132.5 Ų32.519%0.19318%0.176CC..Hα-helixtrans-60.4-40.7171.4178.4-115.1000112.1V17 V21 T137 T138 V166 S167 S168 A169 L174 N175V17-W171 HydrophobicContact CG1-CZ2 3.59Å; V21-W171 HydrophobicContact CG2-CZ2 3.87Å; T137-W171 HydrophobicContact CG2-CB 4.23Å; T137-W171 HydrophobicContact CG2-CG 4.46Å; T138-W171 HydrophobicContact CG2-CE3 3.79Å; T138-W171 HydrophobicContact CG2-CZ3 3.9Å; V166-W171 HydrophobicContact CG1-CB 4.21Å; S167-W171 WeakPolarHBondContact O-CB 3.5Å; S167-W171 PolarHBondContact O-N 2.77Å; S168-W171 PolarHBondContact O-N 3Å; A169-W171 VanDerWaalsContact C-N 3.34Å; W171-L174 HydrophobicContact CE3-CB 4.48Å; W171-L174 HydrophobicContact CE3-CD1 4.22Å; W171-L174 PolarHBondContact O-N 3.37Å; W171-N175 VanDerWaalsContact CD1-ND2 3.31Å; W171-N175 VanDerWaalsContact CE2-ND2 3.32Å; W171-N175 WeakPolarHBondContact CZ2-OD1 3.08Å; W171-N175 PolarHBondContact NE1-ND2 2.85Å; W171-N175 PolarHBondContact O-N 3.11Å; W171-N175 PolarHBondContact O-ND2 2.95Å; W171-N175 VanDerWaalsContact O-ND2 3.13Å
172Y89.7Confident86.3Confident8 Ų835.4 Ų35.43%0.03119%0.191CC..Hα-helixtrans-60.1-47.4171.8162.7-105.6000112.4T24 I124 I128 S168 A169 S170 L174 N175 V176T24-Y172 HydrophobicContact CG2-CD2 3.94Å; T24-Y172 HydrophobicContact CG2-CE2 3.79Å; T24-Y172 WeakPolarHBondContact OG1-CD2 3.4Å; I124-Y172 HydrophobicContact CB-CD2 4.5Å; I124-Y172 HydrophobicContact CB-CE1 4.48Å; I124-Y172 HydrophobicContact CB-CE2 3.82Å; I124-Y172 HydrophobicContact CD1-CE2 3.87Å; I124-Y172 HydrophobicContact CG1-CE2 4.47Å; I124-Y172 HydrophobicContact CG2-CD2 3.53Å; I124-Y172 HydrophobicContact CG2-CE1 4.34Å; I124-Y172 HydrophobicContact CG2-CE2 3.29Å; I124-Y172 HydrophobicContact CG2-CG 4.15Å; I128-Y172 HydrophobicContact CD1-CD1 4.37Å; I128-Y172 HydrophobicContact CD1-CD2 3.91Å; I128-Y172 HydrophobicContact CD1-CG 3.61Å; S168-Y172 PolarHBondContact O-N 3.24Å; A169-Y172 WeakPolarHBondContact O-CB 3.19Å; A169-Y172 PolarHBondContact O-N 3.36Å; S170-Y172 VanDerWaalsContact C-N 3.31Å; S170-Y172 PolarHBondContact O-N 2.8Å; Y172-L174 VanDerWaalsContact C-N 3.28Å; Y172-L174 PolarHBondContact O-N 3.03Å; Y172-N175 WeakPolarHBondContact O-CB 3.19Å; Y172-N175 PolarHBondContact O-N 3.49Å; Y172-N175 VanDerWaalsContact O-N 3.08Å; Y172-V176 HydrophobicContact CD1-CG2 4.47Å; Y172-V176 HydrophobicContact CD2-CG2 3.95Å; Y172-V176 HydrophobicContact CE1-CG2 4Å; Y172-V176 HydrophobicContact CE2-CG2 3.41Å; Y172-V176 VanDerWaalsContact CE2-CG2 3.41Å; Y172-V176 HydrophobicContact CG-CG2 4.45Å; Y172-V176 VanDerWaalsContact CZ-CG2 3.44Å; Y172-V176 WeakPolarHBondContact O-CG2 3.5Å; Y172-V176 PolarHBondContact O-N 3.41Å
173F87Confident86.4Confident78 Ų7831.5 Ų31.534%0.34217%0.17SC..Hα-helixtrans-56.2-46175-76.3-64.7000111.1A169 S170 N175 V176 F177A169-F173 WeakPolarHBondContact O-CD2 3.22Å; A169-F173 PolarHBondContact O-N 3.06Å; S170-F173 WeakPolarHBondContact O-CB 3.27Å; S170-F173 PolarHBondContact O-N 3.24Å; F173-N175 VanDerWaalsContact C-N 3.32Å; F173-N175 PolarHBondContact O-N 3.06Å; F173-V176 WeakPolarHBondContact O-CB 2.95Å; F173-V176 PolarHBondContact O-N 3.41Å; F173-V176 VanDerWaalsContact O-N 3.15Å; F173-F177 HydrophobicContact CB-CE2 4.48Å; F173-F177 WeakPolarHBondContact O-CD2 3.25Å; F173-F177 PolarHBondContact O-N 2.92Å; F173-F177 VanDerWaalsContact O-N 3.15Å
174L88.7Confident86.5Confident66 Ų6633.7 Ų33.735%0.34618%0.184SC..Hα-helixtrans-58.8-41175.5-68.7178.3000112.6V166 S170 W171 Y172 F177 G178V166-L174 HydrophobicContact CG1-CD1 3.95Å; V166-L174 HydrophobicContact CG2-CD1 4.4Å; S170-L174 WeakPolarHBondContact O-CG 3.49Å; S170-L174 PolarHBondContact O-N 2.88Å; W171-L174 HydrophobicContact CE3-CB 4.48Å; W171-L174 HydrophobicContact CE3-CD1 4.22Å; W171-L174 PolarHBondContact O-N 3.37Å; Y172-L174 VanDerWaalsContact C-N 3.28Å; Y172-L174 PolarHBondContact O-N 3.03Å; L174-F177 PolarHBondContact O-N 2.86Å; L174-G178 PolarHBondContact O-N 3.13Å
175N89.5Confident86.5Confident15 Ų1540.6 Ų40.68%0.0822%0.22CC..Hα-helixtrans-65.2-39.8175.4-70.4-39.3000112.2T24 W171 Y172 F173 F177 G178 L179T24-N175 HydrophobicContact CG2-CB 4Å; W171-N175 VanDerWaalsContact CD1-ND2 3.31Å; W171-N175 VanDerWaalsContact CE2-ND2 3.32Å; W171-N175 WeakPolarHBondContact CZ2-OD1 3.08Å; W171-N175 PolarHBondContact NE1-ND2 2.85Å; W171-N175 PolarHBondContact O-N 3.11Å; W171-N175 PolarHBondContact O-ND2 2.95Å; W171-N175 VanDerWaalsContact O-ND2 3.13Å; Y172-N175 WeakPolarHBondContact O-CB 3.19Å; Y172-N175 PolarHBondContact O-N 3.49Å; Y172-N175 VanDerWaalsContact O-N 3.08Å; F173-N175 VanDerWaalsContact C-N 3.32Å; F173-N175 PolarHBondContact O-N 3.06Å; N175-F177 PolarHBondContact O-N 2.9Å; N175-G178 PolarHBondContact O-N 2.97Å; N175-L179 HydrophobicContact CB-CD1 4.28Å; N175-L179 WeakPolarHBondContact O-CB 3.03Å; N175-L179 WeakPolarHBondContact O-CG 3.42Å; N175-L179 PolarHBondContact O-N 3.44Å
176V84.8Confident86.5Confident17 Ų1743.9 Ų43.910%0.10324%0.239CC..Hα-helixtrans-60.2-35176.4171.40000111.5T24 Y172 F173 R180 Q195T24-V176 HydrophobicContact CG2-CG2 3.87Å; Y172-V176 HydrophobicContact CD1-CG2 4.47Å; Y172-V176 HydrophobicContact CD2-CG2 3.95Å; Y172-V176 HydrophobicContact CE1-CG2 4Å; Y172-V176 HydrophobicContact CE2-CG2 3.41Å; Y172-V176 VanDerWaalsContact CE2-CG2 3.41Å; Y172-V176 HydrophobicContact CG-CG2 4.45Å; Y172-V176 VanDerWaalsContact CZ-CG2 3.44Å; Y172-V176 WeakPolarHBondContact O-CG2 3.5Å; Y172-V176 PolarHBondContact O-N 3.41Å; F173-V176 WeakPolarHBondContact O-CB 2.95Å; F173-V176 PolarHBondContact O-N 3.41Å; F173-V176 VanDerWaalsContact O-N 3.15Å; V176-R180 WeakPolarHBondContact O-CG 3.45Å; V176-Q195 VanDerWaalsContact CG1-NE2 3.3Å
177F83.1Confident86Confident96 Ų9645.3 Ų45.342%0.42125%0.246SC..Hα-helixtrans-82.1-40.8174.5-64.5-75000113.1F173 L174 N175 R180F173-F177 HydrophobicContact CB-CE2 4.48Å; F173-F177 WeakPolarHBondContact O-CD2 3.25Å; F173-F177 PolarHBondContact O-N 2.92Å; F173-F177 VanDerWaalsContact O-N 3.15Å; L174-F177 PolarHBondContact O-N 2.86Å; N175-F177 PolarHBondContact O-N 2.9Å; F177-R180 VanDerWaalsContact O-CB 3.31Å; F177-R180 WeakPolarHBondContact O-CB 3.27Å; F177-R180 WeakPolarHBondContact O-CD 3.12Å; F177-R180 WeakPolarHBondContact O-CG 3.11Å; F177-R180 PolarHBondContact O-N 3.05Å
178G85.7Confident85.4Confident48 Ų4846.7 Ų46.750%0.49526%0.261SS..Hα-helixtrans-73.3-35.6-175.800000113.9L174 N175 R180L174-G178 PolarHBondContact O-N 3.13Å; N175-G178 PolarHBondContact O-N 2.97Å; G178-R180 PolarHBondContact O-N 3.06Å
179L86.3Confident84.4Confident13 Ų1354.8 Ų54.87%0.06830%0.299CS..Hα-helixtrans-72-8.8178-65.6175.5000112.8T24 F25 N175 S181 I182 Y183T24-L179 HydrophobicContact CG2-CD1 3.91Å; F25-L179 HydrophobicContact CB-CD1 4.18Å; N175-L179 HydrophobicContact CB-CD1 4.28Å; N175-L179 WeakPolarHBondContact O-CB 3.03Å; N175-L179 WeakPolarHBondContact O-CG 3.42Å; N175-L179 PolarHBondContact O-N 3.44Å; L179-S181 VanDerWaalsContact C-N 3.35Å; L179-S181 PolarHBondContact O-N 3.23Å; L179-I182 HydrophobicContact CD2-CD1 3.62Å; L179-I182 WeakPolarHBondContact O-CB 3.39Å; L179-I182 PolarHBondContact O-N 2.99Å; L179-I182 VanDerWaalsContact O-N 3.09Å; L179-Y183 HydrophobicContact CB-CD2 4.25Å; L179-Y183 HydrophobicContact CB-CE2 3.72Å; L179-Y183 WeakPolarHBondContact O-CD2 3.44Å; L179-Y183 PolarHBondContact O-N 3.43Å
180R79.5Confident83.3Confident50 Ų5060.1 Ų60.119%0.18933%0.326CS..Hα-helixtrans-56.6-46.3177.9-67.7179.8-176.5-156.62.1112.7V176 F177 G178 I182 Y183 S184 D194 S196V176-R180 WeakPolarHBondContact O-CG 3.45Å; F177-R180 VanDerWaalsContact O-CB 3.31Å; F177-R180 WeakPolarHBondContact O-CB 3.27Å; F177-R180 WeakPolarHBondContact O-CD 3.12Å; F177-R180 WeakPolarHBondContact O-CG 3.11Å; F177-R180 PolarHBondContact O-N 3.05Å; G178-R180 PolarHBondContact O-N 3.06Å; R180-I182 PolarHBondContact O-N 3.49Å; R180-Y183 PolarHBondContact O-N 3.32Å; R180-S184 PolarHBondContact O-N 3.46Å; R180-D194 IonicContact CZ-OD1 3.74Å; R180-D194 IonicContact NE-OD1 2.79Å; R180-D194 IonicContact NH1-OD1 3.35Å; R180-D194 PolarHBondContact NH1-OD1 2.99Å; R180-S196 PolarHBondContact NH1-OG 3.35Å
181S83.1Confident82.2Confident84 Ų8460.4 Ų60.459%0.58733%0.327SS*.Hα-helixtrans-62.2-37.1178.8-53.20000111L179 S184 L185L179-S181 VanDerWaalsContact C-N 3.35Å; L179-S181 PolarHBondContact O-N 3.23Å; S181-S184 PolarHBondContact O-N 3.26Å; S181-L185 VanDerWaalsContact O-CG 3.3Å; S181-L185 WeakPolarHBondContact O-CG 3.41Å; S181-L185 PolarHBondContact O-N 3.39Å; S181-L185 VanDerWaalsContact O-N 3.11Å
182I85.9Confident81Confident74 Ų7458.9 Ų58.938%0.37933%0.325SS..Hα-helixtrans-68.6-43.9177.1-57.7176.2000110.4F25 L179 R180 S184 L185 I186F25-I182 HydrophobicContact CE2-CG2 4.08Å; L179-I182 HydrophobicContact CD2-CD1 3.62Å; L179-I182 WeakPolarHBondContact O-CB 3.39Å; L179-I182 PolarHBondContact O-N 2.99Å; L179-I182 VanDerWaalsContact O-N 3.09Å; R180-I182 PolarHBondContact O-N 3.49Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 2.83Å; I182-L185 PolarHBondContact O-N 3.24Å; I182-I186 HydrophobicContact CG2-CD1 3.61Å; I182-I186 HydrophobicContact CG2-CG1 4.35Å; I182-I186 WeakPolarHBondContact O-CG1 3.35Å; I182-I186 PolarHBondContact O-N 2.95Å
183Y84.6Confident79.5Confident12 Ų1259 Ų595%0.04733%0.328CS..Hα-helixtrans-62.5-38.6174.2-64.7-44.2000112.4T24 F25 G28 M29 L179 R180 L185 I186 L187 N191 A193T24-Y183 PolarHBondContact O-OH 2.98Å; F25-Y183 WeakPolarHBondContact CA-OH 3.21Å; F25-Y183 AromaticContact CD2-CE1 3.87Å; F25-Y183 HydrophobicContact CD2-CE1 3.87Å; F25-Y183 HydrophobicContact CE2-CD1 4.48Å; F25-Y183 HydrophobicContact CE2-CE1 4.03Å; F25-Y183 PolarHBondContact O-OH 2.9Å; G28-Y183 WeakPolarHBondContact CA-OH 3.43Å; M29-Y183 HydrophobicContact CG-CE1 4.34Å; L179-Y183 HydrophobicContact CB-CD2 4.25Å; L179-Y183 HydrophobicContact CB-CE2 3.72Å; L179-Y183 WeakPolarHBondContact O-CD2 3.44Å; L179-Y183 PolarHBondContact O-N 3.43Å; R180-Y183 PolarHBondContact O-N 3.32Å; Y183-L185 VanDerWaalsContact C-N 3.27Å; Y183-L185 PolarHBondContact O-N 3.33Å; Y183-I186 PolarHBondContact O-N 3.03Å; Y183-L187 HydrophobicContact CD1-CD1 3.98Å; Y183-L187 HydrophobicContact CG-CD1 4.38Å; Y183-L187 WeakPolarHBondContact O-CA 3.3Å; Y183-L187 VanDerWaalsContact O-CB 3.27Å; Y183-L187 WeakPolarHBondContact O-CB 3.35Å; Y183-L187 PolarHBondContact O-N 2.73Å; Y183-N191 PolarHBondContact O-ND2 3.09Å; Y183-A193 HydrophobicContact CD2-CB 4.06Å; Y183-A193 HydrophobicContact CG-CB 4.34Å
184S81.5Confident78.4Confident49 Ų4957 Ų5734%0.34332%0.321SS..Hα-helixtrans-62.7-36.6176.1-174.20000111.9R180 S181 I182 G188 N191R180-S184 PolarHBondContact O-N 3.46Å; S181-S184 PolarHBondContact O-N 3.26Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 2.83Å; S184-G188 CarbonylContact O-C 3.39Å; S184-G188 VanDerWaalsContact O-C 3.27Å; S184-G188 VanDerWaalsContact O-CA 3.23Å; S184-G188 WeakPolarHBondContact O-CA 3.13Å; S184-G188 PolarHBondContact O-N 3.27Å; S184-N191 WeakPolarHBondContact CA-ND2 3.29Å; S184-N191 PolarHBondContact N-ND2 2.98Å
185L84.6Confident77.2Confident152 Ų15255.5 Ų55.580%0.79631%0.312SS*.Hα-helixtrans-71.8-40.7175.6-69170.1000113S181 I182 Y183S181-L185 VanDerWaalsContact O-CG 3.3Å; S181-L185 WeakPolarHBondContact O-CG 3.41Å; S181-L185 PolarHBondContact O-N 3.39Å; S181-L185 VanDerWaalsContact O-N 3.11Å; I182-L185 PolarHBondContact O-N 3.24Å; Y183-L185 VanDerWaalsContact C-N 3.27Å; Y183-L185 PolarHBondContact O-N 3.33Å
186I84.8Confident75.8Confident96 Ų9657.4 Ų57.449%0.49233%0.327SS..Hα-helixtrans-85-42.5-174.1-63.4173.2000112.3F25 I182 Y183F25-I186 HydrophobicContact CE2-CD1 3.95Å; F25-I186 HydrophobicContact CZ-CD1 3.89Å; I182-I186 HydrophobicContact CG2-CD1 3.61Å; I182-I186 HydrophobicContact CG2-CG1 4.35Å; I182-I186 WeakPolarHBondContact O-CG1 3.35Å; I182-I186 PolarHBondContact O-N 2.95Å; Y183-I186 PolarHBondContact O-N 3.03Å
187L80.2Confident74.5Confident30 Ų3061.7 Ų61.716%0.15734%0.341CS..Hα-helixtrans-104.2-5.4-170.8-54.8172.2000112.6H32 Y183 N191H32-L187 HydrophobicContact CB-CD1 3.8Å; Y183-L187 HydrophobicContact CD1-CD1 3.98Å; Y183-L187 HydrophobicContact CG-CD1 4.38Å; Y183-L187 WeakPolarHBondContact O-CA 3.3Å; Y183-L187 VanDerWaalsContact O-CB 3.27Å; Y183-L187 WeakPolarHBondContact O-CB 3.35Å; Y183-L187 PolarHBondContact O-N 2.73Å; L187-N191 HydrophobicContact CB-CB 3.88Å
188G77.4Confident73.3Confident31 Ų3159.2 Ų59.232%0.3233%0.331SS..  trans89172.7-176.900000114.1S184 D190 N191S184-G188 CarbonylContact O-C 3.39Å; S184-G188 VanDerWaalsContact O-C 3.27Å; S184-G188 VanDerWaalsContact O-CA 3.23Å; S184-G188 WeakPolarHBondContact O-CA 3.13Å; S184-G188 PolarHBondContact O-N 3.27Å; G188-D190 VanDerWaalsContact C-N 3.31Å; G188-D190 PolarHBondContact O-N 2.94Å; G188-N191 PolarHBondContact O-ND2 3.02Å; G188-N191 VanDerWaalsContact O-ND2 3.1Å
189Q69Low72Confident171 Ų17163.2 Ų63.280%0.79934%0.339SS*.THydrogen-bonded Turntrans-67.2-29.2-177.8-69.1-175.9-13.300113N191Q189-N191 VanDerWaalsContact C-N 3.27Å; Q189-N191 PolarHBondContact O-N 3.33Å
190D64.6Low70.6Confident119 Ų11968.8 Ų68.864%0.63637%0.365SS*.THydrogen-bonded Turntrans-89.933.9179.7-69.7-48000113.5G188 R197G188-D190 VanDerWaalsContact C-N 3.31Å; G188-D190 PolarHBondContact O-N 2.94Å; D190-R197 IonicContact OD1-CZ 2.7Å; D190-R197 IonicContact OD1-NH1 2.81Å; D190-R197 PolarHBondContact OD1-NH1 3.41Å; D190-R197 IonicContact OD1-NH2 3.67Å; D190-R197 PolarHBondContact OD1-NH2 3.18Å
191N66.3Low69.6Low8 Ų872.1 Ų72.14%0.04338%0.382CS..  trans-75.5132.7179.872.252.1000112.3Y183 S184 L187 G188 Q189 A193 D194Y183-N191 PolarHBondContact O-ND2 3.09Å; S184-N191 WeakPolarHBondContact CA-ND2 3.29Å; S184-N191 PolarHBondContact N-ND2 2.98Å; L187-N191 HydrophobicContact CB-CB 3.88Å; G188-N191 PolarHBondContact O-ND2 3.02Å; G188-N191 VanDerWaalsContact O-ND2 3.1Å; Q189-N191 VanDerWaalsContact C-N 3.27Å; Q189-N191 PolarHBondContact O-N 3.33Å; N191-A193 PolarHBondContact O-N 3.47Å; N191-A193 VanDerWaalsContact O-N 3.11Å; N191-A193 PolarHBondContact OD1-N 2.95Å; N191-D194 PolarHBondContact O-N 3.05Å; N191-D194 PolarHBondContact OD1-N 3.14Å; N191-D194 VanDerWaalsContact OD1-N 3.12Å
192A64.7Low68.1Low19 Ų1974.9 Ų74.916%0.15739%0.386CS..THydrogen-bonded Turntrans-69.30.1172.100000114.5R31 S35 D194R31-A192 PolarHBondContact NE-O 3.38Å; R31-A192 PolarHBondContact NH2-O 3.03Å; S35-A192 VanDerWaalsContact CB-CB 3.48Å; S35-A192 WeakPolarHBondContact OG-CB 3.46Å; A192-D194 VanDerWaalsContact C-N 3.3Å
193A57.8Low66.3Low11 Ų1178.2 Ų78.29%0.09140%0.401CS..THydrogen-bonded Turntrans-76.6-22175.600000111.5Y183 N191 Q195Y183-A193 HydrophobicContact CD2-CB 4.06Å; Y183-A193 HydrophobicContact CG-CB 4.34Å; N191-A193 PolarHBondContact O-N 3.47Å; N191-A193 VanDerWaalsContact O-N 3.11Å; N191-A193 PolarHBondContact OD1-N 2.95Å; A193-Q195 PolarHBondContact O-N 3.45Å
194D65.4Low64.6Low37 Ų3781.4 Ų81.420%0.19842%0.422CS..  trans-77.6114.8-177.9-170.133.9000113.3R180 N191 A192 S196 R197R180-D194 IonicContact CZ-OD1 3.74Å; R180-D194 IonicContact NE-OD1 2.79Å; R180-D194 IonicContact NH1-OD1 3.35Å; R180-D194 PolarHBondContact NH1-OD1 2.99Å; N191-D194 PolarHBondContact O-N 3.05Å; N191-D194 PolarHBondContact OD1-N 3.14Å; N191-D194 VanDerWaalsContact OD1-N 3.12Å; A192-D194 VanDerWaalsContact C-N 3.3Å; D194-S196 PolarHBondContact OD1-N 3.23Å; D194-S196 PolarHBondContact OD1-OG 3.32Å; D194-S196 WeakPolarHBondContact OD2-CB 3.48Å; D194-S196 PolarHBondContact OD2-OG 3.47Å; D194-R197 PolarHBondContact OD2-N 2.94Å
195Q62.1Low63Low34 Ų3480.5 Ų80.516%0.15942%0.421CS..Hα-helixtrans-78.1-21.1177.9-64.7165.518.900112.9M121 V176 A193 R197 M198 M199M121-Q195 HydrophobicContact CE-CG 4.1Å; V176-Q195 VanDerWaalsContact CG1-NE2 3.3Å; A193-Q195 PolarHBondContact O-N 3.45Å; Q195-R197 VanDerWaalsContact C-N 3.29Å; Q195-R197 PolarHBondContact O-N 3.27Å; Q195-M198 WeakPolarHBondContact O-CB 3.43Å; Q195-M198 PolarHBondContact O-N 2.85Å; Q195-M198 VanDerWaalsContact O-N 3.16Å; Q195-M199 PolarHBondContact O-N 2.94Å; Q195-M199 VanDerWaalsContact O-N 3.13Å
196S59.7Low61.1Low55 Ų5576.5 Ų76.539%0.38541%0.41SS..Hα-helixtrans-62.7-41.8176.15.50000110.8R180 D194 M198 M199 Q200R180-S196 PolarHBondContact NH1-OG 3.35Å; D194-S196 PolarHBondContact OD1-N 3.23Å; D194-S196 PolarHBondContact OD1-OG 3.32Å; D194-S196 WeakPolarHBondContact OD2-CB 3.48Å; D194-S196 PolarHBondContact OD2-OG 3.47Å; S196-M198 VanDerWaalsContact C-N 3.29Å; S196-M198 PolarHBondContact O-N 3.31Å; S196-M199 PolarHBondContact O-N 2.71Å; S196-M199 VanDerWaalsContact O-N 3.1Å; S196-Q200 PolarHBondContact O-N 3.35Å
197R58.8Low59.1Low107 Ų10775 Ų7540%0.40441%0.411SS..Hα-helixtrans-58.2-40.9172.8-102.1-171.3165.3-177.12.9112.3D190 D194 Q195 M199 Q200 E201D190-R197 IonicContact OD1-CZ 2.7Å; D190-R197 IonicContact OD1-NH1 2.81Å; D190-R197 PolarHBondContact OD1-NH1 3.41Å; D190-R197 IonicContact OD1-NH2 3.67Å; D190-R197 PolarHBondContact OD1-NH2 3.18Å; D194-R197 PolarHBondContact OD2-N 2.94Å; Q195-R197 VanDerWaalsContact C-N 3.29Å; Q195-R197 PolarHBondContact O-N 3.27Å; R197-M199 VanDerWaalsContact C-N 3.32Å; R197-M199 PolarHBondContact O-N 3.29Å; R197-Q200 CarbonylContact O-C 3.19Å; R197-Q200 PolarHBondContact O-N 2.87Å; R197-E201 VanDerWaalsContact O-CB 3.27Å; R197-E201 WeakPolarHBondContact O-CB 3.46Å; R197-E201 WeakPolarHBondContact O-CG 3.28Å; R197-E201 PolarHBondContact O-N 2.7Å
198M58.4Low57.4Low44 Ų4478.5 Ų78.522%0.21743%0.428CS..Hα-helixtrans-60.6-40.2174.3-65178.361.600112.8N117 Q195 S196 Q200 E201 Q202N117-M198 HydrophobicContact CB-CE 3.41Å; N117-M198 VanDerWaalsContact CB-CE 3.41Å; N117-M198 HydrophobicContact CB-SD 3.48Å; N117-M198 WeakPolarHBondContact CB-SD 3.46Å; N117-M198 WeakPolarHBondContact ND2-CE 3.42Å; N117-M198 PolarHBondContact ND2-SD 2.8Å; Q195-M198 WeakPolarHBondContact O-CB 3.43Å; Q195-M198 PolarHBondContact O-N 2.85Å; Q195-M198 VanDerWaalsContact O-N 3.16Å; S196-M198 VanDerWaalsContact C-N 3.29Å; S196-M198 PolarHBondContact O-N 3.31Å; M198-Q200 VanDerWaalsContact C-N 3.33Å; M198-E201 CarbonylContact O-C 3.56Å; M198-E201 PolarHBondContact O-N 2.99Å; M198-Q202 WeakPolarHBondContact O-CB 2.98Å; M198-Q202 PolarHBondContact O-N 3.44Å
199M58Low56Low132 Ų13280.2 Ų80.265%0.6544%0.44SS*.Hα-helixtrans-67.7-38.6177.6-171.1171.9-176.300111Q195 S196 R197 Q202 M203Q195-M199 PolarHBondContact O-N 2.94Å; Q195-M199 VanDerWaalsContact O-N 3.13Å; S196-M199 PolarHBondContact O-N 2.71Å; S196-M199 VanDerWaalsContact O-N 3.1Å; R197-M199 VanDerWaalsContact C-N 3.32Å; R197-M199 PolarHBondContact O-N 3.29Å; M199-Q202 PolarHBondContact O-N 3.44Å; M199-M203 WeakPolarHBondContact O-CG 3.31Å; M199-M203 PolarHBondContact O-N 3.18Å
200Q57Low55.1Low130 Ų13074.1 Ų74.161%0.60741%0.412SS*.Hα-helixtrans-68.3-38.9174.5-169.3159.7-7.900111.8S196 R197 M198 Q202 M203 T204S196-Q200 PolarHBondContact O-N 3.35Å; R197-Q200 CarbonylContact O-C 3.19Å; R197-Q200 PolarHBondContact O-N 2.87Å; M198-Q200 VanDerWaalsContact C-N 3.33Å; Q200-Q202 VanDerWaalsContact C-N 3.34Å; Q200-M203 PolarHBondContact O-N 3.43Å; Q200-T204 HydrophobicContact CG-CG2 4.36Å; Q200-T204 VanDerWaalsContact O-CB 3.25Å; Q200-T204 WeakPolarHBondContact O-CB 3.47Å; Q200-T204 VanDerWaalsContact O-CG2 3.23Å; Q200-T204 WeakPolarHBondContact O-CG2 3.42Å; Q200-T204 PolarHBondContact O-N 3.14Å; Q200-T204 PolarHBondContact O-OG1 2.79Å
201E57.8Low54.4Low119 Ų11971.5 Ų71.556%0.55640%0.401SS*.Hα-helixtrans-70.5-27.6171.9-77.5178.4-175.300111.9R197 M198 T204 G205R197-E201 VanDerWaalsContact O-CB 3.27Å; R197-E201 WeakPolarHBondContact O-CB 3.46Å; R197-E201 WeakPolarHBondContact O-CG 3.28Å; R197-E201 PolarHBondContact O-N 2.7Å; M198-E201 CarbonylContact O-C 3.56Å; M198-E201 PolarHBondContact O-N 2.99Å; E201-T204 WeakPolarHBondContact CA-OG1 3.45Å; E201-G205 WeakPolarHBondContact O-CA 3.47Å; E201-G205 PolarHBondContact O-N 3.48Å
202Q51.4Low54Low143 Ų14374 Ų7467%0.66842%0.423SS*.Hα-helixtrans-77.1-38.1174.1-170.2175.1-35.900110.1M198 M199 Q200 A206M198-Q202 WeakPolarHBondContact O-CB 2.98Å; M198-Q202 PolarHBondContact O-N 3.44Å; M199-Q202 PolarHBondContact O-N 3.44Å; Q200-Q202 VanDerWaalsContact C-N 3.34Å; Q202-A206 WeakPolarHBondContact O-CB 3.44Å; Q202-A206 PolarHBondContact O-N 2.95Å
203M48.1Very low54.3Low143 Ų14375.5 Ų75.570%0.70443%0.429SS*.Hα-helixtrans-71.4-43.6173.9-74.5-173.678.400112.4M199 Q200M199-M203 WeakPolarHBondContact O-CG 3.31Å; M199-M203 PolarHBondContact O-N 3.18Å; Q200-M203 PolarHBondContact O-N 3.43Å
204T49.7Very low55.4Low79 Ų7976.1 Ų76.149%0.48543%0.431SS..Hα-helixtrans-80-35.3178.558.60000112Q200 E201 A207 M208Q200-T204 HydrophobicContact CG-CG2 4.36Å; Q200-T204 VanDerWaalsContact O-CB 3.25Å; Q200-T204 WeakPolarHBondContact O-CB 3.47Å; Q200-T204 VanDerWaalsContact O-CG2 3.23Å; Q200-T204 WeakPolarHBondContact O-CG2 3.42Å; Q200-T204 PolarHBondContact O-N 3.14Å; Q200-T204 PolarHBondContact O-OG1 2.79Å; E201-T204 WeakPolarHBondContact CA-OG1 3.45Å; T204-A207 CarbonylContact O-C 3.43Å; T204-A207 WeakPolarHBondContact O-CA 3.28Å; T204-A207 WeakPolarHBondContact O-CB 3.48Å; T204-A207 PolarHBondContact O-N 3.42Å; T204-A207 VanDerWaalsContact O-N 3.16Å; T204-M208 PolarHBondContact O-N 3.49Å
205G47Very low56.5Low31 Ų3175.4 Ų75.432%0.3243%0.427SS..Hα-helixtrans-75.6-28.5176.500000113.5E201 A207 M208 A209E201-G205 WeakPolarHBondContact O-CA 3.47Å; E201-G205 PolarHBondContact O-N 3.48Å; G205-A207 PolarHBondContact O-N 3.31Å; G205-M208 CarbonylContact O-C 3.52Å; G205-M208 WeakPolarHBondContact O-CA 3.11Å; G205-M208 PolarHBondContact O-N 3.36Å; G205-M208 VanDerWaalsContact O-N 3.09Å; G205-A209 PolarHBondContact O-N 3.35Å
206A44.7Very low57.6Low67 Ų6780.6 Ų80.655%0.55445%0.449SS*.Hα-helixtrans-66.7-25.1165.600000112.1Q202Q202-A206 WeakPolarHBondContact O-CB 3.44Å; Q202-A206 PolarHBondContact O-N 2.95Å
207A42.2Very low58.9Low64 Ų6478.5 Ų78.553%0.52944%0.435SS..Hα-helixtrans-79.2-23.5169.400000112.8T204 G205T204-A207 CarbonylContact O-C 3.43Å; T204-A207 WeakPolarHBondContact O-CA 3.28Å; T204-A207 WeakPolarHBondContact O-CB 3.48Å; T204-A207 PolarHBondContact O-N 3.42Å; T204-A207 VanDerWaalsContact O-N 3.16Å; G205-A207 PolarHBondContact O-N 3.31Å
208M45.9Very low60.4Low104 Ų10473.4 Ų73.451%0.51242%0.416SS..Hα-helixtrans-88.6-15.3171.1-74.6-107.4-86.100113.9T204 G205 M210T204-M208 PolarHBondContact O-N 3.49Å; G205-M208 CarbonylContact O-C 3.52Å; G205-M208 WeakPolarHBondContact O-CA 3.11Å; G205-M208 PolarHBondContact O-N 3.36Å; G205-M208 VanDerWaalsContact O-N 3.09Å; M208-M210 PolarHBondContact O-N 2.78Å
209A48.2Very low61.9Low68 Ų6877.4 Ų77.456%0.56243%0.432SS*.SBendtrans-65.885.3164.700000105.6G205G205-A209 PolarHBondContact O-N 3.35Å
210M48.9Very low63.4Low43 Ų4374.7 Ų74.721%0.21242%0.423CS..  trans-41.8134177.4-69.4-66.4-70.800107.6D51 L55 M208 A212 T214D51-M210 HydrophobicContact CB-CE 3.53Å; L55-M210 HydrophobicContact CD1-CE 4.09Å; L55-M210 HydrophobicContact CD1-SD 4.43Å; M208-M210 PolarHBondContact O-N 2.78Å; M210-A212 PolarHBondContact O-N 3.13Å; M210-A212 VanDerWaalsContact O-N 3.13Å; M210-T214 HydrophobicContact CB-CG2 4.43Å; M210-T214 HydrophobicContact CE-CG2 3.49Å; M210-T214 VanDerWaalsContact CE-CG2 3.49Å
211P49.7Very low65Low64 Ų6469.4 Ų69.442%0.41640%0.398SS..  trans-49131.2169.3-2636.1000107.1D213 T214 A217P211-D213 CarbonylContact O-C 3.52Å; P211-D213 WeakPolarHBondContact O-CA 3.38Å; P211-D213 PolarHBondContact O-N 2.81Å; P211-T214 PolarHBondContact O-N 2.87Å; P211-A217 HydrophobicContact CB-CB 3.97Å; P211-A217 HydrophobicContact CG-CB 3.63Å
212A58.7Low66.6Low61 Ų6167.8 Ų67.850%0.50439%0.387SS..SBendtrans-55.4-14.4-171.400000113.3P98 M210P98-A212 HydrophobicContact CB-CB 3.58Å; M210-A212 PolarHBondContact O-N 3.13Å; M210-A212 VanDerWaalsContact O-N 3.13Å
213D71.4Confident68.5Low50 Ų5064.9 Ų64.927%0.26737%0.374SS..  trans-119105.5160.9-174.7-5.9000110.7P211 N215 K216 A217P211-D213 CarbonylContact O-C 3.52Å; P211-D213 WeakPolarHBondContact O-CA 3.38Å; P211-D213 PolarHBondContact O-N 2.81Å; D213-N215 PolarHBondContact O-N 3.2Å; D213-N215 WeakPolarHBondContact OD1-CA 3.5Å; D213-N215 VanDerWaalsContact OD1-CB 3.29Å; D213-N215 WeakPolarHBondContact OD1-CB 3.36Å; D213-N215 PolarHBondContact OD1-N 3.2Å; D213-N215 PolarHBondContact OD1-ND2 2.65Å; D213-K216 HydrophobicContact CB-CB 3.81Å; D213-K216 WeakPolarHBondContact O-CB 3.36Å; D213-K216 PolarHBondContact O-N 2.91Å; D213-K216 PolarHBondContact OD1-N 2.83Å; D213-A217 PolarHBondContact O-N 3.23Å; D213-A217 VanDerWaalsContact O-N 3.08Å
214T81.3Confident70.6Confident24 Ų2459.2 Ų59.215%0.14735%0.35CS..Hα-helixtrans-62.1-30.517653.80000112.1R93 M210 P211 A217 F218R93-T214 WeakPolarHBondContact CB-OG1 3.39Å; M210-T214 HydrophobicContact CB-CG2 4.43Å; M210-T214 HydrophobicContact CE-CG2 3.49Å; M210-T214 VanDerWaalsContact CE-CG2 3.49Å; P211-T214 PolarHBondContact O-N 2.87Å; T214-A217 WeakPolarHBondContact O-CB 3.28Å; T214-A217 PolarHBondContact O-N 3.19Å; T214-F218 WeakPolarHBondContact O-CD1 3.42Å; T214-F218 VanDerWaalsContact O-CG 3.23Å; T214-F218 WeakPolarHBondContact O-CG 3.34Å; T214-F218 PolarHBondContact O-N 3.25Å
215N86.5Confident72.6Confident22 Ų2255.5 Ų55.512%0.11833%0.327CS..Hα-helixtrans-71.2-36.2176.3-57.7-76.4000111.6K92 R93 V95 D213 A217 F218 K219K92-N215 WeakPolarHBondContact CA-OD1 3.46Å; R93-N215 PolarHBondContact N-OD1 3.28Å; R93-N215 PolarHBondContact O-ND2 2.81Å; V95-N215 WeakPolarHBondContact CG2-ND2 3.29Å; D213-N215 PolarHBondContact O-N 3.2Å; D213-N215 WeakPolarHBondContact OD1-CA 3.5Å; D213-N215 VanDerWaalsContact OD1-CB 3.29Å; D213-N215 WeakPolarHBondContact OD1-CB 3.36Å; D213-N215 PolarHBondContact OD1-N 3.2Å; D213-N215 PolarHBondContact OD1-ND2 2.65Å; N215-A217 VanDerWaalsContact C-N 3.33Å; N215-F218 PolarHBondContact O-N 2.9Å; N215-K219 WeakPolarHBondContact O-CB 3.43Å; N215-K219 PolarHBondContact O-N 3.1Å
216K86.5Confident74.7Confident143 Ų14358.2 Ų58.262%0.62233%0.331SS*.Hα-helixtrans-63.6-42.9172.5-172.5179.3179.2-178.40110.5D213 F218 K219 T220D213-K216 HydrophobicContact CB-CB 3.81Å; D213-K216 WeakPolarHBondContact O-CB 3.36Å; D213-K216 PolarHBondContact O-N 2.91Å; D213-K216 PolarHBondContact OD1-N 2.83Å; K216-F218 VanDerWaalsContact C-N 3.34Å; K216-F218 PolarHBondContact O-N 3.35Å; K216-K219 PolarHBondContact O-N 3.16Å; K216-T220 PolarHBondContact O-N 3.39Å; K216-T220 PolarHBondContact O-OG1 3.46Å
217A86.1Confident76.9Confident10 Ų1062 Ų628%0.08334%0.341CS..Hα-helixtrans-57.5-47.2174.400000111.7L55 P211 D213 T214 N215 K219 T220 E221L55-A217 HydrophobicContact CD1-CB 4.04Å; P211-A217 HydrophobicContact CB-CB 3.97Å; P211-A217 HydrophobicContact CG-CB 3.63Å; D213-A217 PolarHBondContact O-N 3.23Å; D213-A217 VanDerWaalsContact O-N 3.08Å; T214-A217 WeakPolarHBondContact O-CB 3.28Å; T214-A217 PolarHBondContact O-N 3.19Å; N215-A217 VanDerWaalsContact C-N 3.33Å; A217-K219 VanDerWaalsContact C-N 3.33Å; A217-K219 PolarHBondContact O-N 3.07Å; A217-T220 PolarHBondContact O-N 2.87Å; A217-E221 WeakPolarHBondContact O-CB 3.21Å; A217-E221 WeakPolarHBondContact O-CG 3.44Å; A217-E221 PolarHBondContact O-N 2.93Å
218F90.5Very high79.1Confident1 Ų160.5 Ų60.50%0.00433%0.325CS..Hα-helixtrans-61.9-40.3177.2-67.8-8.4000112.4D51 L55 F87 F88 T91 R93 T214 N215 K216 E221 W222D51-F218 HydrophobicContact CB-CE1 4.36Å; D51-F218 HydrophobicContact CB-CZ 4.03Å; L55-F218 HydrophobicContact CD1-CE1 4.38Å; L55-F218 HydrophobicContact CD2-CD1 3.55Å; L55-F218 HydrophobicContact CD2-CE1 3.79Å; L55-F218 HydrophobicContact CG-CD1 4.29Å; L55-F218 HydrophobicContact CG-CE1 4.04Å; F87-F218 HydrophobicContact CE1-CE2 4.38Å; F87-F218 HydrophobicContact CE1-CZ 4.14Å; F88-F218 HydrophobicContact CB-CB 4.16Å; F88-F218 HydrophobicContact CD1-CB 3.83Å; F88-F218 AromaticContact CD1-CD1 3.81Å; F88-F218 HydrophobicContact CD1-CD1 3.81Å; F88-F218 HydrophobicContact CD1-CE1 4.5Å; F88-F218 AromaticContact CD1-CG 3.83Å; F88-F218 HydrophobicContact CD1-CG 3.83Å; F88-F218 AromaticContact CE1-CD1 4Å; F88-F218 HydrophobicContact CE1-CD1 4Å; F88-F218 HydrophobicContact CE1-CE1 4.47Å; F88-F218 HydrophobicContact CE1-CG 4.47Å; F88-F218 HydrophobicContact CG-CB 4.34Å; T91-F218 HydrophobicContact CG2-CE2 3.87Å; T91-F218 WeakPolarHBondContact O-CD2 3.11Å; R93-F218 HydrophobicContact CG-CE2 3.96Å; R93-F218 HydrophobicContact CG-CZ 4.44Å; T214-F218 WeakPolarHBondContact O-CD1 3.42Å; T214-F218 VanDerWaalsContact O-CG 3.23Å; T214-F218 WeakPolarHBondContact O-CG 3.34Å; T214-F218 PolarHBondContact O-N 3.25Å; N215-F218 PolarHBondContact O-N 2.9Å; K216-F218 VanDerWaalsContact C-N 3.34Å; K216-F218 PolarHBondContact O-N 3.35Å; F218-E221 PolarHBondContact O-N 3.42Å; F218-W222 VanDerWaalsContact O-CB 3.26Å; F218-W222 WeakPolarHBondContact O-CB 3.48Å; F218-W222 PolarHBondContact O-N 2.95Å
219K90.1Very high81.2Confident128 Ų12861.6 Ų61.656%0.55733%0.333SS*.Hα-helixtrans-64-47.1176.3-175.4178.2172.9-177.40111.7N215 K216 A217 E221 W222 E223N215-K219 WeakPolarHBondContact O-CB 3.43Å; N215-K219 PolarHBondContact O-N 3.1Å; K216-K219 PolarHBondContact O-N 3.16Å; A217-K219 VanDerWaalsContact C-N 3.33Å; A217-K219 PolarHBondContact O-N 3.07Å; K219-E221 VanDerWaalsContact C-N 3.33Å; K219-E221 PolarHBondContact O-N 2.84Å; K219-W222 WeakPolarHBondContact O-CB 3.26Å; K219-W222 PolarHBondContact O-N 3.3Å; K219-E223 WeakPolarHBondContact CE-OE1 3.09Å; K219-E223 IonicContact NZ-OE1 3.9Å; K219-E223 WeakPolarHBondContact O-CG 3.3Å; K219-E223 PolarHBondContact O-N 3.48Å
220T90.1Very high83.3Confident74 Ų7460 Ų6045%0.45431%0.314SS..Hα-helixtrans-62.9-40.1178.3-61.20000111.9K216 A217 E223 A224K216-T220 PolarHBondContact O-N 3.39Å; K216-T220 PolarHBondContact O-OG1 3.46Å; A217-T220 PolarHBondContact O-N 2.87Å; T220-E223 PolarHBondContact O-N 2.94Å; T220-A224 VanDerWaalsContact O-CB 3.28Å; T220-A224 WeakPolarHBondContact O-CB 3.41Å; T220-A224 PolarHBondContact O-N 3.18Å
221E90.2Very high85.2Confident20 Ų2065.4 Ų65.49%0.09334%0.339CS..Hα-helixtrans-70.7-36.3177.2-74.4-78.515900112.2L55 S58 R62 F88 A217 F218 K219 A224 L225L55-E221 HydrophobicContact CD2-CB 4.23Å; L55-E221 HydrophobicContact CD2-CG 3.78Å; S58-E221 PolarHBondContact OG-OE2 3.41Å; R62-E221 IonicContact CZ-OE1 2.78Å; R62-E221 IonicContact CZ-OE2 3.83Å; R62-E221 VanDerWaalsContact CZ-OE2 3.27Å; R62-E221 IonicContact NE-OE2 3.18Å; R62-E221 PolarHBondContact NE-OE2 3.23Å; R62-E221 IonicContact NH2-OE1 2.87Å; R62-E221 PolarHBondContact NH2-OE1 2.83Å; R62-E221 IonicContact NH2-OE2 3.85Å; R62-E221 PolarHBondContact NH2-OE2 3.49Å; F88-E221 HydrophobicContact CE1-CB 4.45Å; F88-E221 HydrophobicContact CE2-CB 4.05Å; F88-E221 HydrophobicContact CZ-CB 3.97Å; A217-E221 WeakPolarHBondContact O-CB 3.21Å; A217-E221 WeakPolarHBondContact O-CG 3.44Å; A217-E221 PolarHBondContact O-N 2.93Å; F218-E221 PolarHBondContact O-N 3.42Å; K219-E221 VanDerWaalsContact C-N 3.33Å; K219-E221 PolarHBondContact O-N 2.84Å; E221-A224 PolarHBondContact O-N 3.33Å; E221-L225 WeakPolarHBondContact O-CB 3.38Å; E221-L225 PolarHBondContact O-N 3.44Å
222W91.6Very high87.1Confident84 Ų8465.6 Ų65.632%0.31833%0.332SS..Hα-helixtrans-59.4-51.6171.3-176.588.7000111N81 F88 F218 K219 A224 L225 E226N81-W222 VanDerWaalsContact CG-CD1 3.47Å; N81-W222 PolarHBondContact ND2-O 2.86Å; N81-W222 PolarHBondContact O-NE1 3.45Å; N81-W222 VanDerWaalsContact O-NE1 3.15Å; N81-W222 VanDerWaalsContact OD1-CD1 3.29Å; F88-W222 HydrophobicContact CB-CB 4Å; F88-W222 HydrophobicContact CB-CG 4.47Å; F88-W222 HydrophobicContact CD2-CB 4.1Å; F88-W222 HydrophobicContact CG-CB 4.4Å; F218-W222 VanDerWaalsContact O-CB 3.26Å; F218-W222 WeakPolarHBondContact O-CB 3.48Å; F218-W222 PolarHBondContact O-N 2.95Å; K219-W222 WeakPolarHBondContact O-CB 3.26Å; K219-W222 PolarHBondContact O-N 3.3Å; W222-A224 PolarHBondContact O-N 2.94Å; W222-L225 PolarHBondContact O-N 3.24Å; W222-E226 WeakPolarHBondContact O-CB 3.29Å; W222-E226 PolarHBondContact O-N 2.82Å
223E91.8Very high88.4Confident83 Ų8365.3 Ų65.339%0.38833%0.329SS..Hα-helixtrans-59.8-45.1178.4-71.2170.6177.700111.5K219 T220 E226 L227K219-E223 WeakPolarHBondContact CE-OE1 3.09Å; K219-E223 IonicContact NZ-OE1 3.9Å; K219-E223 WeakPolarHBondContact O-CG 3.3Å; K219-E223 PolarHBondContact O-N 3.48Å; T220-E223 PolarHBondContact O-N 2.94Å; E223-E226 WeakPolarHBondContact O-CB 3.46Å; E223-E226 PolarHBondContact O-N 3.27Å; E223-L227 WeakPolarHBondContact O-CG 3.18Å; E223-L227 PolarHBondContact O-N 2.99Å
224A92.5Very high89.1Confident24 Ų2467.3 Ų67.320%0.19834%0.339CS..Hα-helixtrans-70.5-36.7-177.600000112.7T220 E221 W222 E226 T228T220-A224 VanDerWaalsContact O-CB 3.28Å; T220-A224 WeakPolarHBondContact O-CB 3.41Å; T220-A224 PolarHBondContact O-N 3.18Å; E221-A224 PolarHBondContact O-N 3.33Å; W222-A224 PolarHBondContact O-N 2.94Å; A224-E226 VanDerWaalsContact C-N 3.3Å; A224-T228 PolarHBondContact O-N 2.83Å; A224-T228 PolarHBondContact O-OG1 2.92Å
225L91.3Very high89.2Confident0 Ų071.7 Ų71.70%036%0.362CS..Hα-helixtrans-71.1-29.5174-174.562.7000111.3L61 R62 K77 F80 E221 W222 T228L61-L225 HydrophobicContact CD2-CD1 3.95Å; L61-L225 HydrophobicContact CD2-CD2 4.31Å; L61-L225 HydrophobicContact CG-CD1 4.29Å; R62-L225 HydrophobicContact CG-CB 4.42Å; R62-L225 HydrophobicContact CG-CD1 3.56Å; K77-L225 WeakPolarHBondContact CE-O 3.23Å; K77-L225 HydrophobicContact CG-CG 4.21Å; K77-L225 PolarHBondContact NZ-O 3.26Å; K77-L225 VanDerWaalsContact NZ-O 3.16Å; F80-L225 HydrophobicContact CB-CD2 3.54Å; F80-L225 HydrophobicContact CD2-CD2 3.83Å; F80-L225 HydrophobicContact CG-CD2 4.01Å; E221-L225 WeakPolarHBondContact O-CB 3.38Å; E221-L225 PolarHBondContact O-N 3.44Å; W222-L225 PolarHBondContact O-N 3.24Å; L225-T228 PolarHBondContact O-N 3.29Å
226E90.6Very high89.1Confident89 Ų8975.7 Ų75.742%0.41638%0.383SS..Hα-helixtrans-65.4-43.5175.3-163.558.8-156.600110.9K77 N81 W222 E223 A224 T228K77-E226 PolarHBondContact NZ-O 3.18Å; N81-E226 WeakPolarHBondContact ND2-CA 3.47Å; N81-E226 PolarHBondContact ND2-N 3.46Å; N81-E226 PolarHBondContact ND2-OE2 2.8Å; W222-E226 WeakPolarHBondContact O-CB 3.29Å; W222-E226 PolarHBondContact O-N 2.82Å; E223-E226 WeakPolarHBondContact O-CB 3.46Å; E223-E226 PolarHBondContact O-N 3.27Å; A224-E226 VanDerWaalsContact C-N 3.3Å; E226-T228 PolarHBondContact O-N 3.41Å
227L90.9Very high89Confident146 Ų14671.8 Ų71.876%0.76437%0.371SS*.SBendtrans-72.3-11.7175.4-65.9171.8000114.1E223E223-L227 WeakPolarHBondContact O-CG 3.18Å; E223-L227 PolarHBondContact O-N 2.99Å
228T89.1Confident88.9Confident32 Ų3278.8 Ų78.820%0.19640%0.402CS..PPolyproline II helixtrans-86.5118.2-179.9-54.90000110.3R62 F73 K77 A224 L225 E226R62-T228 HydrophobicContact CB-CG2 4.26Å; R62-T228 WeakPolarHBondContact CD-OG1 3.13Å; R62-T228 HydrophobicContact CG-CG2 4.22Å; R62-T228 WeakPolarHBondContact CG-OG1 3.44Å; F73-T228 HydrophobicContact CE2-CG2 4.5Å; F73-T228 HydrophobicContact CZ-CG2 4.05Å; K77-T228 PolarHBondContact NZ-O 3.41Å; A224-T228 PolarHBondContact O-N 2.83Å; A224-T228 PolarHBondContact O-OG1 2.92Å; L225-T228 PolarHBondContact O-N 3.29Å; E226-T228 PolarHBondContact O-N 3.41Å
229D89.4Confident88.6Confident127 Ų12785.5 Ų85.568%0.67943%0.433SS*.PPolyproline II helixtrans-96.3152171.4-72.4-41.4000111.9
230H92.3Very high88.4Confident34 Ų3484.6 Ų84.616%0.15743%0.431CS..PPolyproline II helixtrans-80.7121.5179-177.364.7000111G65 I68 K70 F73 W232G65-H230 PolarHBondContact O-CE1 3.38Å; G65-H230 PolarHBondContact O-ND1 3.39Å; G65-H230 VanDerWaalsContact O-ND1 3.11Å; I68-H230 PolarHBondContact O-CE1 2.95Å; I68-H230 PolarHBondContact O-NE2 3.33Å; K70-H230 VanDerWaalsContact CA-CD2 3.42Å; K70-H230 WeakPolarHBondContact CA-CD2 3.21Å; K70-H230 VanDerWaalsContact CB-CD2 3.46Å; K70-H230 WeakPolarHBondContact CB-CD2 3.23Å; K70-H230 HydrophobicContact CG-CB 4.48Å; K70-H230 PolarHBondContact N-NE2 3.08Å; F73-H230 HydrophobicContact CB-CB 4.37Å; F73-H230 HydrophobicContact CD1-CB 3.6Å; F73-H230 HydrophobicContact CE1-CB 3.97Å; F73-H230 HydrophobicContact CG-CB 3.97Å; F73-H230 AromaticContact CG-ND1 3.69Å; H230-W232 AromaticContact CE1-CE3 3.99Å; H230-W232 AromaticContact NE2-CE3 3.85Å
231Q87.9Confident88Confident157 Ų15785.7 Ų85.773%0.73443%0.434SS*.  trans-113.8111.9170.3-65.2178.4-9.700108.2K66 A233K66-Q231 WeakPolarHBondContact CA-O 3.33Å; K66-Q231 WeakPolarHBondContact CB-O 3Å; Q231-A233 PolarHBondContact O-N 3.18Å
232W89.7Confident87.6Confident69 Ų6992.3 Ų92.326%0.26147%0.467SS..  trans-79119.8-178.2-177-125.7000109.7K66 Y67 I68 P69 H230 L234 D235K66-W232 WeakPolarHBondContact O-CZ3 3.22Å; Y67-W232 VanDerWaalsContact C-CZ3 3.43Å; I68-W232 WeakPolarHBondContact O-CZ3 3.34Å; P69-W232 HydrophobicContact CG-CH2 4.24Å; H230-W232 AromaticContact CE1-CE3 3.99Å; H230-W232 AromaticContact NE2-CE3 3.85Å; W232-L234 VanDerWaalsContact CD1-C 3.47Å; W232-L234 HydrophobicContact CH2-CD1 4.17Å; W232-L234 HydrophobicContact CZ2-CB 4.07Å; W232-L234 HydrophobicContact CZ2-CD1 3.71Å; W232-L234 HydrophobicContact CZ2-CG 4.17Å; W232-L234 PolarHBondContact O-N 2.91Å; W232-D235 HydrophobicContact CB-CB 4.49Å; W232-D235 WeakPolarHBondContact CB-OD2 3.02Å; W232-D235 PolarHBondContact O-N 3.37Å
233A87.1Confident87Confident54 Ų5492.4 Ų92.445%0.44649%0.486SS..THydrogen-bonded Turntrans-68-16.8-177.100000113.4K66 Y67 Q231K66-A233 HydrophobicContact CB-CB 4.14Å; K66-A233 HydrophobicContact CD-CB 4.41Å; K66-A233 HydrophobicContact CG-CB 4.38Å; K66-A233 WeakPolarHBondContact O-CB 3.37Å; K66-A233 PolarHBondContact O-N 3.26Å; Y67-A233 HydrophobicContact CD1-CB 4.45Å; Q231-A233 PolarHBondContact O-N 3.18Å
234L85.2Confident86.1Confident92 Ų9294 Ų9448%0.48249%0.491SS..THydrogen-bonded Turntrans-10712.4-177.9-53.7174.5000113W232 D236 V237W232-L234 VanDerWaalsContact CD1-C 3.47Å; W232-L234 HydrophobicContact CH2-CD1 4.17Å; W232-L234 HydrophobicContact CZ2-CB 4.07Å; W232-L234 HydrophobicContact CZ2-CD1 3.71Å; W232-L234 HydrophobicContact CZ2-CG 4.17Å; W232-L234 PolarHBondContact O-N 2.91Å; L234-D236 VanDerWaalsContact C-N 3.29Å; L234-D236 PolarHBondContact O-N 3.35Å; L234-V237 HydrophobicContact CB-CB 4.29Å; L234-V237 HydrophobicContact CB-CG1 4.08Å; L234-V237 HydrophobicContact CD2-CB 4.16Å; L234-V237 HydrophobicContact CD2-CG1 4.47Å; L234-V237 HydrophobicContact CD2-CG2 4.13Å; L234-V237 WeakPolarHBondContact O-CG1 3.48Å
235D83.9Confident85.2Confident117 Ų11799.4 Ų99.463%0.62652%0.517SS*.THydrogen-bonded Turntrans-58.7-44.3178.4-88.1-23.2000110.5W232W232-D235 HydrophobicContact CB-CB 4.49Å; W232-D235 WeakPolarHBondContact CB-OD2 3.02Å; W232-D235 PolarHBondContact O-N 3.37Å
236D84.1Confident83.9Confident105 Ų105103.3 Ų103.356%0.56154%0.537SS*.THydrogen-bonded Turntrans-103.913.8-175.6-53.2-41.9000113.5L234 E238 E239 E240L234-D236 VanDerWaalsContact C-N 3.29Å; L234-D236 PolarHBondContact O-N 3.35Å; D236-E238 VanDerWaalsContact C-N 3.26Å; D236-E238 PolarHBondContact O-N 2.64Å; D236-E239 PolarHBondContact O-N 3.06Å; D236-E240 WeakPolarHBondContact O-CB 3.26Å; D236-E240 PolarHBondContact O-N 3.16Å
237V85Confident82.5Confident62 Ų62106 Ų10638%0.37655%0.55SS..Hα-helixtrans-62.3-34.9-172.470.90000112.4L234 L241L234-V237 HydrophobicContact CB-CB 4.29Å; L234-V237 HydrophobicContact CB-CG1 4.08Å; L234-V237 HydrophobicContact CD2-CB 4.16Å; L234-V237 HydrophobicContact CD2-CG1 4.47Å; L234-V237 HydrophobicContact CD2-CG2 4.13Å; L234-V237 WeakPolarHBondContact O-CG1 3.48Å; V237-L241 WeakPolarHBondContact O-CB 3.46Å; V237-L241 PolarHBondContact O-N 2.94Å
238E83.5Confident81.2Confident156 Ų156104 Ų10473%0.72954%0.535SS*.Hα-helixtrans-70-43178.3-63.8-176.1173.500110.8D236 L241 M242D236-E238 VanDerWaalsContact C-N 3.26Å; D236-E238 PolarHBondContact O-N 2.64Å; E238-L241 PolarHBondContact O-N 2.96Å; E238-M242 WeakPolarHBondContact O-CB 3.42Å; E238-M242 WeakPolarHBondContact O-CG 3.36Å; E238-M242 PolarHBondContact O-N 2.8Å
239E85Confident79.8Confident142 Ų142110.6 Ų110.666%0.66456%0.563SS**Hα-helixtrans-65.3-43.3176.2-63.6-169.8177.100111.5D236 L241 M242 A243D236-E239 PolarHBondContact O-N 3.06Å; E239-L241 VanDerWaalsContact C-N 3.34Å; E239-L241 PolarHBondContact O-N 3.5Å; E239-M242 PolarHBondContact O-N 2.99Å; E239-A243 WeakPolarHBondContact O-CB 3.43Å; E239-A243 PolarHBondContact O-N 3.1Å
240E84.4Confident78.4Confident109 Ų109106.6 Ų106.651%0.50955%0.552SS.*Hα-helixtrans-64.2-38.6176.4-169.1-175.6174.200111.8D236 K244D236-E240 WeakPolarHBondContact O-CB 3.26Å; D236-E240 PolarHBondContact O-N 3.16Å; E240-K244 HydrophobicContact CG-CD 4.44Å; E240-K244 WeakPolarHBondContact O-CG 3.21Å; E240-K244 PolarHBondContact O-N 2.88Å; E240-K244 VanDerWaalsContact O-N 3.15Å; E240-K244 WeakPolarHBondContact OE1-CE 3.16Å; E240-K244 IonicContact OE1-NZ 3.19Å; E240-K244 PolarHBondContact OE1-NZ 2.66Å
241L83.4Confident76.6Confident98 Ų98111 Ų11151%0.51357%0.574SS.*Hα-helixtrans-69.1-38.9177.4-172.170.5000111.8V237 E238 E239 L246V237-L241 WeakPolarHBondContact O-CB 3.46Å; V237-L241 PolarHBondContact O-N 2.94Å; E238-L241 PolarHBondContact O-N 2.96Å; E239-L241 VanDerWaalsContact C-N 3.34Å; E239-L241 PolarHBondContact O-N 3.5Å; L241-L246 HydrophobicContact CD1-CD2 3.71Å; L241-L246 HydrophobicContact CG-CD2 4.27Å
242M81.4Confident75.4Confident158 Ų158112 Ų11278%0.77858%0.577SS**Hα-helixtrans-75.5-32.3178.1-69.5-67.7-69.300112.6E238 E239E238-M242 WeakPolarHBondContact O-CB 3.42Å; E238-M242 WeakPolarHBondContact O-CG 3.36Å; E238-M242 PolarHBondContact O-N 2.8Å; E239-M242 PolarHBondContact O-N 2.99Å
243A79.5Confident73.8Confident87 Ų87117 Ų11772%0.71960%0.601SS**Hα-helixtrans-77.2-24.9178.300000113.1E239E239-A243 WeakPolarHBondContact O-CB 3.43Å; E239-A243 PolarHBondContact O-N 3.1Å
244K72.8Confident72Confident117 Ų117123.5 Ų123.551%0.50962%0.618SS.*SBendtrans-79.6121.1170.4-76.6173.8-175.9165.90108.5E240 L246E240-K244 HydrophobicContact CG-CD 4.44Å; E240-K244 WeakPolarHBondContact O-CG 3.21Å; E240-K244 PolarHBondContact O-N 2.88Å; E240-K244 VanDerWaalsContact O-N 3.15Å; E240-K244 WeakPolarHBondContact OE1-CE 3.16Å; E240-K244 IonicContact OE1-NZ 3.19Å; E240-K244 PolarHBondContact OE1-NZ 2.66Å; K244-L246 PolarHBondContact O-N 3.45Å
245D72.1Confident70.1Confident136 Ų136127.3 Ų127.373%0.72763%0.634SS**  trans-52.2110.7160.7-81.8-34.4000107.3H247D245-H247 PolarHBondContact O-CD2 3.15Å; D245-H247 PolarHBondContact O-N 3.49Å
246L64.5Low68.4Low83 Ų83128.9 Ų128.944%0.43564%0.641SS.*  trans-68.381.3177.7-69.5159.1000107.5L241 K244 F248L241-L246 HydrophobicContact CD1-CD2 3.71Å; L241-L246 HydrophobicContact CG-CD2 4.27Å; K244-L246 PolarHBondContact O-N 3.45Å; L246-F248 HydrophobicContact CB-CD2 3.83Å; L246-F248 HydrophobicContact CB-CE1 4.31Å; L246-F248 HydrophobicContact CB-CE2 3.3Å; L246-F248 HydrophobicContact CB-CZ 3.59Å; L246-F248 HydrophobicContact CD1-CE2 4.01Å; L246-F248 HydrophobicContact CD1-CZ 3.79Å; L246-F248 HydrophobicContact CD2-CE1 4.48Å; L246-F248 HydrophobicContact CD2-CZ 4.14Å; L246-F248 HydrophobicContact CG-CE2 4.18Å; L246-F248 HydrophobicContact CG-CZ 4.05Å; L246-F248 WeakPolarHBondContact O-CD2 3.37Å; L246-F248 PolarHBondContact O-N 2.88Å
247H61.3Low66.5Low146 Ų146132.4 Ų132.468%0.67665%0.654SS**  trans-70.579.6170.7-75.1-76.5000108.7D245 E249D245-H247 PolarHBondContact O-CD2 3.15Å; D245-H247 PolarHBondContact O-N 3.49Å; H247-E249 PolarHBondContact O-N 2.9Å; H247-E249 VanDerWaalsContact O-N 3.12Å
248F63.9Low64.7Low103 Ų103135.2 Ų135.245%0.45267%0.672SS.*G310 helixtrans-64.2-10.3175.4-65.7-74.9000113.1L246 G250 M251L246-F248 HydrophobicContact CB-CD2 3.83Å; L246-F248 HydrophobicContact CB-CE1 4.31Å; L246-F248 HydrophobicContact CB-CE2 3.3Å; L246-F248 HydrophobicContact CB-CZ 3.59Å; L246-F248 HydrophobicContact CD1-CE2 4.01Å; L246-F248 HydrophobicContact CD1-CZ 3.79Å; L246-F248 HydrophobicContact CD2-CE1 4.48Å; L246-F248 HydrophobicContact CD2-CZ 4.14Å; L246-F248 HydrophobicContact CG-CE2 4.18Å; L246-F248 HydrophobicContact CG-CZ 4.05Å; L246-F248 WeakPolarHBondContact O-CD2 3.37Å; L246-F248 PolarHBondContact O-N 2.88Å; F248-G250 PolarHBondContact O-N 3.21Å; F248-G250 VanDerWaalsContact O-N 3.08Å; F248-M251 HydrophobicContact CD1-CE 3.76Å; F248-M251 HydrophobicContact CD1-SD 4.33Å; F248-M251 HydrophobicContact CE1-CE 3.93Å; F248-M251 PolarHBondContact O-N 3Å; F248-M251 VanDerWaalsContact O-N 3.11Å
249E60.3Low62.6Low170 Ų170131.9 Ų131.979%0.79467%0.666SS**G310 helixtrans-59.1-21.8-179.2-67.2-166.5158.300114H247H247-E249 PolarHBondContact O-N 2.9Å; H247-E249 VanDerWaalsContact O-N 3.12Å
250G58.3Low60.9Low44 Ų44133.1 Ų133.145%0.45468%0.675SS.*G310 helixtrans-100.3-17.8176.200000115.4F248 K253F248-G250 PolarHBondContact O-N 3.21Å; F248-G250 VanDerWaalsContact O-N 3.08Å; G250-K253 PolarHBondContact O-N 3.42Å
251M55.5Low59.4Low125 Ų125141.2 Ų141.262%0.61671%0.709SS**THydrogen-bonded Turntrans-72.7-34.6-171.4-159.3-174.8-65.400111.8F248F248-M251 HydrophobicContact CD1-CE 3.76Å; F248-M251 HydrophobicContact CD1-SD 4.33Å; F248-M251 HydrophobicContact CE1-CE 3.93Å; F248-M251 PolarHBondContact O-N 3Å; F248-M251 VanDerWaalsContact O-N 3.11Å
252F61.7Low58.2Low178 Ų178143.4 Ų143.478%0.78172%0.719SS**THydrogen-bonded Turntrans-87.5-8.8176-62.1-75.4000114
253K56.9Low57Low176 Ų176142.6 Ų142.677%0.76572%0.716SS**THydrogen-bonded Turntrans-92.4-13.9179.6-88.9-174178.3175.30114.4G250 E255G250-K253 PolarHBondContact O-N 3.42Å; K253-E255 PolarHBondContact O-N 2.94Å
254K48.6Very low55.8Low189 Ų189145.7 Ų145.782%0.82272%0.716SS**SBendtrans-78.686.3164.6-84.8-175.5175178.50107.5L256K254-L256 PolarHBondContact O-N 3.12Å; K254-L256 VanDerWaalsContact O-N 3.13Å
255E46.3Very low54.8Low172 Ų172147.4 Ų147.480%0.80473%0.728SS**  trans-33.8122.6154.4-75.9179.2155.200108K253 Q257K253-E255 PolarHBondContact O-N 2.94Å; E255-Q257 VanDerWaalsContact C-N 3.3Å; E255-Q257 PolarHBondContact O-N 2.72Å
256L48.7Very low53.7Low150 Ų150148.1 Ų148.179%0.78573%0.728SS**  trans-46.4101.4168.1-145.288.1000105.8K254 T258K254-L256 PolarHBondContact O-N 3.12Å; K254-L256 VanDerWaalsContact O-N 3.13Å; L256-T258 HydrophobicContact CB-CG2 4.46Å; L256-T258 HydrophobicContact CD2-CG2 3.66Å; L256-T258 HydrophobicContact CG-CG2 4.37Å; L256-T258 PolarHBondContact O-N 3.07Å
257Q42.8Very low53Low179 Ų179152.4 Ų152.484%0.83675%0.748SS**  trans-69.379.5169.3-82.9-172.4-29.300106.2E255 S259E255-Q257 VanDerWaalsContact C-N 3.3Å; E255-Q257 PolarHBondContact O-N 2.72Å; Q257-S259 PolarHBondContact O-N 2.66Å
258T46.8Very low52.4Low122 Ų122152.9 Ų152.975%0.74875%0.753SS**  trans-65.481.2161.344.80000106.9L256L256-T258 HydrophobicContact CB-CG2 4.46Å; L256-T258 HydrophobicContact CD2-CG2 3.66Å; L256-T258 HydrophobicContact CG-CG2 4.37Å; L256-T258 PolarHBondContact O-N 3.07Å
259S41.1Very low51.5Low85 Ų85156.7 Ų156.759%0.59478%0.776SS**  trans-149.261.6168.967.20000110.1Q257Q257-S259 PolarHBondContact O-N 2.66Å
260I48.5Very low50.7Low168 Ų168155.6 Ų155.686%0.86277%0.774SS**  trans-13976.8151.5-50.1178.7000106.6
261F53.4Low50Low279 Ų279165.7 Ų165.7100%1.22480%0.803SS**  trans-77.60136.5-76.1-77.3000106.9

Retrieved 261 of 261 residues in 719.4 ms (Link to these results)

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