A0A087YA93_POEFO Loading...

Activator 1 subunit 5

AlphaFold DB , UniProt , Accession A0A087YA93, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 335 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
1M34.6Very low36.7Very low254 Ų254148.1 Ų148.1100%1.25185%0.851SS**  0990-69.9175.7-174.100107.6
2A32.5Very low38.3Very low111 Ų111155.8 Ų155.892%0.91786%0.856SS**  trans-123.9102.5177.100000106.9
3S31.4Very low41.3Very low102 Ų102156.1 Ų156.171%0.71386%0.856SS**  trans-120.7125.2175.662.30000110.3
4T38.3Very low44.7Very low136 Ų136151.1 Ų151.183%0.83483%0.827SS**  trans65.493.6142.348.60000119.1
5S31.8Very low48Very low122 Ų122145.5 Ų145.585%0.85380%0.801SS**  trans-146.566.6144.168.70000110.6
6K38.6Very low50.9Low210 Ų210137.8 Ų137.891%0.91376%0.756SS**  trans-117.389.9164.6-78.8-172.8177.2-1780107.4
7G34Very low53.4Low71 Ų71130.9 Ų130.973%0.73272%0.719SS**SBendtrans-171.8-4.5-177.900000117.3
8Q34.9Very low55.6Low199 Ų199127.9 Ų127.993%0.9370%0.699SS**  trans-128.479.6172.9-76.7-177.4-7.700109.7
9L35.3Very low57.6Low143 Ų143125.7 Ų125.775%0.74968%0.682SS**  trans-110.1106.7169.4-88.6148.8000108.4
10Q41.7Very low59.3Low172 Ų172120.4 Ų120.480%0.80465%0.652SS**  trans66.965.1146.5-59179.3-6.100120.3
11T50.2Low60.9Low109 Ų109117.5 Ų117.567%0.66963%0.631SS**  trans-103.35.3162.140.10000114.6N13T11-N13 PolarHBondContact O-N 3.21Å
12R55.9Low63.5Low240 Ų240106.3 Ų106.391%0.90658%0.577SS**THydrogen-bonded Turntrans-75.5-18.7-160.9-107.6178.6171.2163.7-2.7117.3
13N77.3Confident66.1Low160 Ų160105 Ų10586%0.85655%0.552SS**THydrogen-bonded Turntrans-133.821-173.2-77.71.2000115.5T11T11-N13 PolarHBondContact O-N 3.21Å
14L89.6Confident68.8Low87 Ų87103.2 Ų103.246%0.45554%0.537SS..  trans-73.3138.4176.2-70.6175.6000110.9K19L14-K19 HydrophobicContact CB-CB 4.2Å
15P94.2Very high70.9Confident66 Ų6697.3 Ų97.343%0.42950%0.501SS..  trans-52.8145.1167.6-24.533.9000110.9V17 E18 K19P15-V17 PolarHBondContact O-N 2.79Å; P15-V17 VanDerWaalsContact O-N 3.16Å; P15-E18 PolarHBondContact O-N 3.09Å; P15-K19 PolarHBondContact O-N 3.11Å
16W94.8Very high73.3Confident23 Ų2398.5 Ų98.59%0.08750%0.498CS..Hα-helixtrans-61.8-29.7-174.2-73.1-1.3000113.5E18 K19 Y20 V183 E187 I189 L214 Q215 S218W16-E18 PolarHBondContact O-N 3.12Å; W16-K19 PolarHBondContact O-N 3.08Å; W16-Y20 HydrophobicContact CB-CD2 3.94Å; W16-Y20 HydrophobicContact CB-CE2 4.34Å; W16-Y20 AromaticContact CD1-CE2 3.97Å; W16-Y20 HydrophobicContact CD2-CE2 4.47Å; W16-Y20 HydrophobicContact CG-CD2 4.14Å; W16-Y20 HydrophobicContact CG-CE2 4.03Å; W16-Y20 WeakPolarHBondContact O-CB 3.2Å; W16-Y20 WeakPolarHBondContact O-CD2 3.49Å; W16-Y20 PolarHBondContact O-N 2.93Å; W16-V183 HydrophobicContact CD2-CG1 4.23Å; W16-V183 HydrophobicContact CE3-CG1 3.79Å; W16-V183 HydrophobicContact CZ3-CG1 4.14Å; W16-E187 HydrophobicContact CD2-CG 4.46Å; W16-E187 HydrophobicContact CH2-CB 4.09Å; W16-E187 HydrophobicContact CH2-CG 4.04Å; W16-E187 HydrophobicContact CZ2-CB 3.88Å; W16-E187 HydrophobicContact CZ2-CG 3.54Å; W16-E187 PolarHBondContact NE1-OE1 2.94Å; W16-I189 HydrophobicContact CH2-CD1 3.34Å; W16-I189 HydrophobicContact CH2-CG1 4.17Å; W16-I189 HydrophobicContact CZ2-CD1 4.46Å; W16-I189 HydrophobicContact CZ3-CD1 3.52Å; W16-L214 HydrophobicContact CE3-CD2 4.31Å; W16-L214 HydrophobicContact CE3-CG 4.49Å; W16-L214 HydrophobicContact CZ3-CB 4.32Å; W16-L214 HydrophobicContact CZ3-CD2 3.89Å; W16-L214 HydrophobicContact CZ3-CG 3.83Å; W16-Q215 HydrophobicContact CB-CB 4.44Å; W16-Q215 HydrophobicContact CD2-CB 3.64Å; W16-Q215 HydrophobicContact CD2-CG 3.63Å; W16-Q215 HydrophobicContact CE3-CB 3.42Å; W16-Q215 VanDerWaalsContact CE3-CB 3.42Å; W16-Q215 HydrophobicContact CE3-CG 3.93Å; W16-Q215 HydrophobicContact CG-CB 4.11Å; W16-Q215 HydrophobicContact CG-CG 3.94Å; W16-Q215 HydrophobicContact CH2-CB 4.42Å; W16-Q215 HydrophobicContact CH2-CG 4.47Å; W16-Q215 HydrophobicContact CZ2-CG 4.25Å; W16-Q215 HydrophobicContact CZ3-CB 3.85Å; W16-Q215 HydrophobicContact CZ3-CG 4.34Å; W16-S218 WeakPolarHBondContact CH2-OG 3.49Å
17V93.5Very high75.3Confident20 Ų2091.1 Ų91.112%0.12147%0.468CS..Hα-helixtrans-54.2-39.8171.91750000112P15 R21 R208 L211 N212P15-V17 PolarHBondContact O-N 2.79Å; P15-V17 VanDerWaalsContact O-N 3.16Å; V17-R21 PolarHBondContact O-N 3.01Å; V17-R208 HydrophobicContact CB-CG 4.4Å; V17-R208 HydrophobicContact CG1-CB 4.44Å; V17-R208 HydrophobicContact CG1-CG 3.71Å; V17-R208 HydrophobicContact CG2-CG 3.74Å; V17-L211 HydrophobicContact CG2-CB 4.06Å; V17-N212 WeakPolarHBondContact CG2-OD1 3.33Å
18E91.8Very high77.6Confident77 Ų7788.4 Ų88.436%0.3644%0.437SS..Hα-helixtrans-88.8-44.8179.7-63.6-51135.500111.9P15 W16 Y20 R21P15-E18 PolarHBondContact O-N 3.09Å; W16-E18 PolarHBondContact O-N 3.12Å; E18-Y20 PolarHBondContact O-N 3.5Å; E18-R21 WeakPolarHBondContact O-CB 2.92Å; E18-R21 PolarHBondContact O-N 2.94Å; E18-R21 VanDerWaalsContact O-N 3.1Å; E18-R21 IonicContact OE1-CZ 3.76Å; E18-R21 IonicContact OE1-NE 2.72Å; E18-R21 IonicContact OE1-NH2 2.92Å; E18-R21 PolarHBondContact OE1-NH2 3.34Å; E18-R21 IonicContact OE2-CZ 2.92Å; E18-R21 IonicContact OE2-NE 2.85Å; E18-R21 PolarHBondContact OE2-NE 2.67Å; E18-R21 IonicContact OE2-NH2 2.77Å; E18-R21 PolarHBondContact OE2-NH2 3.36Å
19K93.7Very high79.3Confident87 Ų8781.5 Ų81.538%0.37841%0.408SS..Hα-helixtrans-56.5-40.2178.9-175.5-179.4174.9-171.30111.8L14 P15 W16 E187L14-K19 HydrophobicContact CB-CB 4.2Å; P15-K19 PolarHBondContact O-N 3.11Å; W16-K19 PolarHBondContact O-N 3.08Å; K19-E187 VanDerWaalsContact NZ-CD 3.33Å; K19-E187 IonicContact NZ-OE1 3.44Å; K19-E187 PolarHBondContact NZ-OE1 2.78Å; K19-E187 IonicContact NZ-OE2 3.97Å; K19-E187 PolarHBondContact NZ-OE2 3.3Å
20Y92.6Very high81.5Confident19 Ų1975.2 Ų75.28%0.07538%0.376CS..THydrogen-bonded Turntrans-107.426.1179.3-59.2-79.6000112.3W16 E18 P22 R179 V183 K186 E187W16-Y20 HydrophobicContact CB-CD2 3.94Å; W16-Y20 HydrophobicContact CB-CE2 4.34Å; W16-Y20 AromaticContact CD1-CE2 3.97Å; W16-Y20 HydrophobicContact CD2-CE2 4.47Å; W16-Y20 HydrophobicContact CG-CD2 4.14Å; W16-Y20 HydrophobicContact CG-CE2 4.03Å; W16-Y20 WeakPolarHBondContact O-CB 3.2Å; W16-Y20 WeakPolarHBondContact O-CD2 3.49Å; W16-Y20 PolarHBondContact O-N 2.93Å; E18-Y20 PolarHBondContact O-N 3.5Å; Y20-P22 WeakPolarHBondContact O-CD 3.38Å; Y20-R179 PolarHBondContact O-NE 3.08Å; Y20-R179 PolarHBondContact O-NH2 3.06Å; Y20-V183 HydrophobicContact CD1-CG2 3.81Å; Y20-V183 HydrophobicContact CD2-CG1 3.96Å; Y20-V183 HydrophobicContact CD2-CG2 3.83Å; Y20-V183 HydrophobicContact CE1-CG2 4.26Å; Y20-V183 HydrophobicContact CE2-CG1 3.8Å; Y20-V183 HydrophobicContact CE2-CG2 4.31Å; Y20-V183 HydrophobicContact CG-CG2 3.57Å; Y20-K186 HydrophobicContact CE1-CB 3.93Å; Y20-K186 HydrophobicContact CE1-CG 4.23Å; Y20-K186 WeakPolarHBondContact OH-CB 3.41Å; Y20-E187 HydrophobicContact CE2-CG 4.07Å; Y20-E187 WeakPolarHBondContact CE2-OE1 3.49Å; Y20-E187 VanDerWaalsContact OH-CG 3.23Å; Y20-E187 WeakPolarHBondContact OH-CG 3.3Å; Y20-E187 PolarHBondContact OH-OE1 3.48Å
21R92Very high83.6Confident59 Ų5968.3 Ų68.322%0.22334%0.343CS..  trans-64.5126.6169.4-172.3-176.6-74.4-152.9-4.4109.1V17 E18 Q23V17-R21 PolarHBondContact O-N 3.01Å; E18-R21 WeakPolarHBondContact O-CB 2.92Å; E18-R21 PolarHBondContact O-N 2.94Å; E18-R21 VanDerWaalsContact O-N 3.1Å; E18-R21 IonicContact OE1-CZ 3.76Å; E18-R21 IonicContact OE1-NE 2.72Å; E18-R21 IonicContact OE1-NH2 2.92Å; E18-R21 PolarHBondContact OE1-NH2 3.34Å; E18-R21 IonicContact OE2-CZ 2.92Å; E18-R21 IonicContact OE2-NE 2.85Å; E18-R21 PolarHBondContact OE2-NE 2.67Å; E18-R21 IonicContact OE2-NH2 2.77Å; E18-R21 PolarHBondContact OE2-NH2 3.36Å; R21-Q23 PolarHBondContact O-N 3.31Å; R21-Q23 PolarHBondContact O-NE2 3Å
22P89.8Confident85.3Confident19 Ų1970.5 Ų70.512%0.12334%0.344CS..  trans-51130.9175.7-30.237.8000112Y20 D27 L28Y20-P22 WeakPolarHBondContact O-CD 3.38Å; P22-D27 HydrophobicContact CB-CB 3.74Å; P22-L28 HydrophobicContact CB-CD2 3.67Å; P22-L28 HydrophobicContact CB-CG 4.03Å; P22-L28 HydrophobicContact CG-CD2 3.76Å
23Q86.9Confident86.9Confident83 Ų8365.4 Ų65.439%0.38833%0.334SS..  trans-101.8-31.3-179.7-62.1-60.7-44.400111.5R21 D27 R69R21-Q23 PolarHBondContact O-N 3.31Å; R21-Q23 PolarHBondContact O-NE2 3Å; Q23-D27 PolarHBondContact N-OD2 3.01Å; Q23-R69 PolarHBondContact O-NH1 3.03Å; Q23-R69 VanDerWaalsContact OE1-NH2 3.1Å
24T86.9Confident87.6Confident65 Ų6558.8 Ų58.840%0.39930%0.299SS..SBendtrans-115.8165.2-179.968.50000111.4D26 D27T24-D26 PolarHBondContact O-N 3.38Å; T24-D27 PolarHBondContact N-OD2 3.2Å; T24-D27 WeakPolarHBondContact O-CB 3.43Å; T24-D27 PolarHBondContact O-N 3.49Å; T24-D27 PolarHBondContact OG1-N 3.3Å; T24-D27 PolarHBondContact OG1-OD2 2.86Å
25L82.9Confident87.6Confident12 Ų1255.2 Ų55.26%0.06328%0.28CS..SBendtrans-68.6-27.7174.3-64.8-178.6000112.3D27 L28 L35 Q39 A66 C67L25-D27 VanDerWaalsContact C-N 3.25Å; L25-D27 PolarHBondContact O-N 3.15Å; L25-L28 HydrophobicContact CD2-CD1 3.86Å; L25-L28 WeakPolarHBondContact O-CB 3.4Å; L25-L28 PolarHBondContact O-N 2.8Å; L25-L28 VanDerWaalsContact O-N 3.11Å; L25-L35 HydrophobicContact CD2-CD2 4.24Å; L25-Q39 HydrophobicContact CD1-CG 3.74Å; L25-A66 HydrophobicContact CD2-CB 3.63Å; L25-A66 HydrophobicContact CG-CB 4.22Å; L25-C67 VanDerWaalsContact CD2-SG 3.58Å
26D82.1Confident87.4Confident148 Ų14854.9 Ų54.979%0.79128%0.28SS*.THydrogen-bonded Turntrans-70.7-25.9178.5-58.8-32.9000111.8T24 L28T24-D26 PolarHBondContact O-N 3.38Å; D26-L28 PolarHBondContact O-N 3.36Å
27D82.1Confident87.4Confident54 Ų5456.4 Ų56.429%0.28929%0.292SS..THydrogen-bonded Turntrans-71.1-14.7172.5-63.1-46.1000113P22 Q23 T24 L25 V29P22-D27 HydrophobicContact CB-CB 3.74Å; Q23-D27 PolarHBondContact N-OD2 3.01Å; T24-D27 PolarHBondContact N-OD2 3.2Å; T24-D27 WeakPolarHBondContact O-CB 3.43Å; T24-D27 PolarHBondContact O-N 3.49Å; T24-D27 PolarHBondContact OG1-N 3.3Å; T24-D27 PolarHBondContact OG1-OD2 2.86Å; L25-D27 VanDerWaalsContact C-N 3.25Å; L25-D27 PolarHBondContact O-N 3.15Å; D27-V29 PolarHBondContact O-N 3.4Å
28L82.5Confident87.3Confident15 Ų1555.5 Ų55.58%0.07929%0.286CS..  trans-89.4100.9179.9-65166000109.6P22 L25 D26 S30 L35 T63 A66P22-L28 HydrophobicContact CB-CD2 3.67Å; P22-L28 HydrophobicContact CB-CG 4.03Å; P22-L28 HydrophobicContact CG-CD2 3.76Å; L25-L28 HydrophobicContact CD2-CD1 3.86Å; L25-L28 WeakPolarHBondContact O-CB 3.4Å; L25-L28 PolarHBondContact O-N 2.8Å; L25-L28 VanDerWaalsContact O-N 3.11Å; D26-L28 PolarHBondContact O-N 3.36Å; L28-S30 PolarHBondContact O-N 3.12Å; L28-L35 HydrophobicContact CB-CD1 3.88Å; L28-L35 HydrophobicContact CD1-CD2 4.11Å; L28-T63 HydrophobicContact CD1-CG2 4.34Å; L28-A66 HydrophobicContact CD1-CB 4.18Å
29V70.6Confident87.2Confident53 Ų5355.4 Ų55.432%0.32129%0.285SS..  trans-74.6-14.7-178.4-173.70000112.3D27 P178D27-V29 PolarHBondContact O-N 3.4Å; V29-P178 HydrophobicContact CG1-CB 4.23Å; V29-P178 HydrophobicContact CG1-CG 4.08Å; V29-P178 HydrophobicContact CG2-CB 4.45Å
30S80.1Confident87.1Confident11 Ų1157.2 Ų57.28%0.07729%0.293CS..SBendtrans-106.6161.9-171.263.20000114.8L28 K32 L35L28-S30 PolarHBondContact O-N 3.12Å; S30-K32 PolarHBondContact O-N 3.46Å; S30-L35 WeakPolarHBondContact O-CD1 3.4Å
31H85.6Confident87.1Confident27 Ų2758.9 Ų58.913%0.12530%0.301CS..  trans53.945173.3-52.7-60.3000115.4D33 I34 L35 T58 F168 G169H31-D33 VanDerWaalsContact C-N 3.25Å; H31-D33 PolarHBondContact O-N 3.07Å; H31-D33 VanDerWaalsContact O-N 3.11Å; H31-I34 HydrophobicContact CB-CB 4.04Å; H31-I34 HydrophobicContact CB-CD1 3.89Å; H31-I34 HydrophobicContact CB-CG1 4.11Å; H31-I34 WeakPolarHBondContact O-CA 3.43Å; H31-I34 WeakPolarHBondContact O-CB 3.43Å; H31-I34 PolarHBondContact O-N 3.19Å; H31-L35 PolarHBondContact O-N 2.78Å; H31-T58 PolarHBondContact NE2-O 2.78Å; H31-F168 AromaticContact CD2-CD1 3.36Å; H31-F168 WeakPolarHBondContact CD2-CD1 3.25Å; H31-F168 AromaticContact CD2-CE1 3.89Å; H31-F168 AromaticContact NE2-CD1 3.72Å; H31-G169 PolarHBondContact CE1-N 3.28Å; H31-G169 PolarHBondContact CE1-O 2.99Å; H31-G169 VanDerWaalsContact CE1-O 3.26Å; H31-G169 PolarHBondContact NE2-O 3.42Å
32K86.4Confident86.9Confident155 Ų15557.4 Ų57.467%0.67430%0.297SS*.Hα-helixtrans-48.8-41.5-177.1-65.2-173.9178.6-178.20114.1S30 I34 L35 S36S30-K32 PolarHBondContact O-N 3.46Å; K32-I34 VanDerWaalsContact C-N 3.33Å; K32-I34 PolarHBondContact O-N 3.44Å; K32-L35 PolarHBondContact O-N 2.92Å; K32-S36 WeakPolarHBondContact O-CB 3.48Å; K32-S36 PolarHBondContact O-N 2.9Å; K32-S36 PolarHBondContact O-OG 2.87Å
33D89.3Confident86.8Confident133 Ų13361 Ų6171%0.71132%0.323SS*.Hα-helixtrans-66.1-34.7179.3-55.6-32.4000113.1H31 S36 T37H31-D33 VanDerWaalsContact C-N 3.25Å; H31-D33 PolarHBondContact O-N 3.07Å; H31-D33 VanDerWaalsContact O-N 3.11Å; D33-S36 WeakPolarHBondContact CA-OG 3.46Å; D33-S36 PolarHBondContact O-OG 2.7Å; D33-T37 WeakPolarHBondContact O-CB 3.47Å; D33-T37 PolarHBondContact O-N 3.12Å; D33-T37 PolarHBondContact O-OG1 3.21Å
34I91.6Very high86.9Confident22 Ų2261 Ų6111%0.11332%0.323CS..Hα-helixtrans-68.7-47.5175.4-61.5-177.1000108.8H31 K32 T37 I38 F166 R167 F168H31-I34 HydrophobicContact CB-CB 4.04Å; H31-I34 HydrophobicContact CB-CD1 3.89Å; H31-I34 HydrophobicContact CB-CG1 4.11Å; H31-I34 WeakPolarHBondContact O-CA 3.43Å; H31-I34 WeakPolarHBondContact O-CB 3.43Å; H31-I34 PolarHBondContact O-N 3.19Å; K32-I34 VanDerWaalsContact C-N 3.33Å; K32-I34 PolarHBondContact O-N 3.44Å; I34-T37 PolarHBondContact O-N 3.29Å; I34-I38 HydrophobicContact CG2-CD1 3.62Å; I34-I38 HydrophobicContact CG2-CG1 4.44Å; I34-I38 WeakPolarHBondContact O-CG1 3.4Å; I34-I38 PolarHBondContact O-N 3.18Å; I34-F166 HydrophobicContact CB-CD1 4.17Å; I34-F166 HydrophobicContact CD1-CB 4.38Å; I34-F166 HydrophobicContact CG1-CD1 4.09Å; I34-F166 HydrophobicContact CG2-CB 4.03Å; I34-F166 HydrophobicContact CG2-CD1 3.55Å; I34-F166 HydrophobicContact CG2-CE1 4.18Å; I34-F166 HydrophobicContact CG2-CG 3.92Å; I34-R167 VanDerWaalsContact CD1-O 3.25Å; I34-R167 WeakPolarHBondContact CD1-O 3.35Å; I34-F168 HydrophobicContact CD1-CD2 4.41Å; I34-F168 HydrophobicContact CD1-CE2 4.33Å; I34-F168 HydrophobicContact CD1-CZ 4.48Å; I34-F168 HydrophobicContact CG2-CE2 4.27Å; I34-F168 HydrophobicContact CG2-CZ 3.92Å
35L89.9Confident86.8Confident11 Ų1163.7 Ų63.76%0.05834%0.335CS..Hα-helixtrans-60.9-46179.3-61.6-178.9000111.6L25 L28 S30 H31 K32 T37 I38 Q39 T63L25-L35 HydrophobicContact CD2-CD2 4.24Å; L28-L35 HydrophobicContact CB-CD1 3.88Å; L28-L35 HydrophobicContact CD1-CD2 4.11Å; S30-L35 WeakPolarHBondContact O-CD1 3.4Å; H31-L35 PolarHBondContact O-N 2.78Å; K32-L35 PolarHBondContact O-N 2.92Å; L35-T37 VanDerWaalsContact C-N 3.3Å; L35-T37 PolarHBondContact O-N 2.95Å; L35-I38 PolarHBondContact O-N 3.3Å; L35-Q39 WeakPolarHBondContact O-CB 3.18Å; L35-Q39 VanDerWaalsContact O-CG 3.24Å; L35-Q39 WeakPolarHBondContact O-CG 3.5Å; L35-Q39 PolarHBondContact O-N 3.39Å; L35-T63 HydrophobicContact CD2-CG2 3.51Å
36S91.2Very high87.1Confident60 Ų6069.3 Ų69.342%0.4236%0.359SS..Hα-helixtrans-62.6-37.9178.564.10000112.1K32 D33 K40K32-S36 WeakPolarHBondContact O-CB 3.48Å; K32-S36 PolarHBondContact O-N 2.9Å; K32-S36 PolarHBondContact O-OG 2.87Å; D33-S36 WeakPolarHBondContact CA-OG 3.46Å; D33-S36 PolarHBondContact O-OG 2.7Å; S36-K40 WeakPolarHBondContact O-CB 3.41Å; S36-K40 PolarHBondContact O-N 2.9Å
37T93.1Very high87.6Confident55 Ų5562.4 Ų62.434%0.33732%0.322SS..Hα-helixtrans-67.5-45.6177.1-56.40000111.3D33 I34 L35 K40 F41 F166D33-T37 WeakPolarHBondContact O-CB 3.47Å; D33-T37 PolarHBondContact O-N 3.12Å; D33-T37 PolarHBondContact O-OG1 3.21Å; I34-T37 PolarHBondContact O-N 3.29Å; L35-T37 VanDerWaalsContact C-N 3.3Å; L35-T37 PolarHBondContact O-N 2.95Å; T37-K40 PolarHBondContact O-N 3.1Å; T37-F41 HydrophobicContact CG2-CD2 4.22Å; T37-F41 HydrophobicContact CG2-CE2 3.68Å; T37-F41 HydrophobicContact CG2-CZ 3.97Å; T37-F41 WeakPolarHBondContact O-CD2 3.47Å; T37-F41 WeakPolarHBondContact O-CG 3.46Å; T37-F41 PolarHBondContact O-N 3.19Å; T37-F166 HydrophobicContact CG2-CE1 3.92Å; T37-F166 HydrophobicContact CG2-CZ 3.85Å
38I91.3Very high88.2Confident1 Ų161.3 Ų61.31%0.00532%0.318CS..Hα-helixtrans-64.9-43.9177.8-64.9162.2000110.5I34 L35 K40 F41 I42 L47 F52 T63 C67 F166I34-I38 HydrophobicContact CG2-CD1 3.62Å; I34-I38 HydrophobicContact CG2-CG1 4.44Å; I34-I38 WeakPolarHBondContact O-CG1 3.4Å; I34-I38 PolarHBondContact O-N 3.18Å; L35-I38 PolarHBondContact O-N 3.3Å; I38-K40 VanDerWaalsContact C-N 3.28Å; I38-K40 PolarHBondContact O-N 3.48Å; I38-F41 PolarHBondContact O-N 3.04Å; I38-I42 HydrophobicContact CG2-CD1 3.85Å; I38-I42 HydrophobicContact CG2-CG1 4.38Å; I38-I42 WeakPolarHBondContact O-CG1 3.23Å; I38-I42 PolarHBondContact O-N 3.35Å; I38-L47 HydrophobicContact CG2-CD1 4.4Å; I38-F52 HydrophobicContact CD1-CE1 3.99Å; I38-F52 HydrophobicContact CD1-CZ 3.55Å; I38-T63 HydrophobicContact CD1-CG2 4.25Å; I38-C67 VanDerWaalsContact CG2-SG 3.54Å; I38-F166 HydrophobicContact CG1-CE1 4.47Å; I38-F166 HydrophobicContact CG1-CE2 4.15Å; I38-F166 HydrophobicContact CG1-CZ 4.02Å
39Q89.9Confident88.9Confident74 Ų7461.1 Ų61.135%0.34632%0.316SS..Hα-helixtrans-58.2-41.8175.6-77.1175.9-12.200111.5L25 L35 I42 S43L25-Q39 HydrophobicContact CD1-CG 3.74Å; L35-Q39 WeakPolarHBondContact O-CB 3.18Å; L35-Q39 VanDerWaalsContact O-CG 3.24Å; L35-Q39 WeakPolarHBondContact O-CG 3.5Å; L35-Q39 PolarHBondContact O-N 3.39Å; Q39-I42 PolarHBondContact O-N 3.5Å; Q39-S43 WeakPolarHBondContact O-CB 3.33Å; Q39-S43 PolarHBondContact O-N 3.27Å; Q39-S43 PolarHBondContact O-OG 2.95Å
40K92.7Very high90.2Very high125 Ų12558.6 Ų58.654%0.54330%0.301SS..Hα-helixtrans-61.3-47.7175-172.5173.5180176.50111.6S36 T37 I38 I42 S43 E44S36-K40 WeakPolarHBondContact O-CB 3.41Å; S36-K40 PolarHBondContact O-N 2.9Å; T37-K40 PolarHBondContact O-N 3.1Å; I38-K40 VanDerWaalsContact C-N 3.28Å; I38-K40 PolarHBondContact O-N 3.48Å; K40-I42 VanDerWaalsContact C-N 3.28Å; K40-I42 PolarHBondContact O-N 3.49Å; K40-S43 WeakPolarHBondContact CA-OG 3.45Å; K40-S43 PolarHBondContact O-N 3.29Å; K40-S43 PolarHBondContact O-OG 2.82Å; K40-E44 WeakPolarHBondContact CE-OE1 3.26Å; K40-E44 PolarHBondContact O-N 2.78Å
41F91.9Very high91.1Very high54 Ų5458.1 Ų58.124%0.23730%0.298CS..Hα-helixtrans-59.4-38.2176.3-69.9-35.5000113.4T37 I38 D45 K46 L47 P48 T164 F166T37-F41 HydrophobicContact CG2-CD2 4.22Å; T37-F41 HydrophobicContact CG2-CE2 3.68Å; T37-F41 HydrophobicContact CG2-CZ 3.97Å; T37-F41 WeakPolarHBondContact O-CD2 3.47Å; T37-F41 WeakPolarHBondContact O-CG 3.46Å; T37-F41 PolarHBondContact O-N 3.19Å; I38-F41 PolarHBondContact O-N 3.04Å; F41-D45 PolarHBondContact O-N 2.83Å; F41-K46 PolarHBondContact O-N 3.36Å; F41-L47 HydrophobicContact CB-CD1 3.88Å; F41-L47 PolarHBondContact O-N 2.96Å; F41-P48 HydrophobicContact CD2-CG 4.28Å; F41-P48 HydrophobicContact CE2-CG 4.21Å; F41-T164 HydrophobicContact CE2-CG2 4.25Å; F41-F166 HydrophobicContact CE2-CZ 4Å
42I87.8Confident91.7Very high29 Ų2956.8 Ų56.815%0.14929%0.292CS..Hα-helixtrans-65.8-48.6175-70.2171.4000110.5I38 Q39 K40 E44 D45 L47 C67 L71I38-I42 HydrophobicContact CG2-CD1 3.85Å; I38-I42 HydrophobicContact CG2-CG1 4.38Å; I38-I42 WeakPolarHBondContact O-CG1 3.23Å; I38-I42 PolarHBondContact O-N 3.35Å; Q39-I42 PolarHBondContact O-N 3.5Å; K40-I42 VanDerWaalsContact C-N 3.28Å; K40-I42 PolarHBondContact O-N 3.49Å; I42-E44 VanDerWaalsContact C-N 3.26Å; I42-E44 PolarHBondContact O-N 3.3Å; I42-D45 PolarHBondContact O-N 3.45Å; I42-D45 VanDerWaalsContact O-N 3.12Å; I42-L47 HydrophobicContact CG1-CD1 4.01Å; I42-C67 HydrophobicContact CD1-CB 4.04Å; I42-L71 HydrophobicContact CB-CD2 4.29Å; I42-L71 HydrophobicContact CD1-CD1 4.22Å; I42-L71 HydrophobicContact CD1-CD2 4.41Å; I42-L71 HydrophobicContact CD1-CG 4.17Å; I42-L71 HydrophobicContact CG1-CD1 4.33Å; I42-L71 HydrophobicContact CG1-CD2 4.06Å; I42-L71 HydrophobicContact CG1-CG 4.33Å; I42-L71 HydrophobicContact CG2-CD2 3.48Å; I42-L71 VanDerWaalsContact CG2-CD2 3.48Å; I42-L71 HydrophobicContact CG2-CG 4.23Å
43S87.3Confident92.2Very high94 Ų9451.8 Ų51.866%0.65727%0.269SS*.Hα-helixtrans-63.9-30-177.6700000113.6Q39 K40Q39-S43 WeakPolarHBondContact O-CB 3.33Å; Q39-S43 PolarHBondContact O-N 3.27Å; Q39-S43 PolarHBondContact O-OG 2.95Å; K40-S43 WeakPolarHBondContact CA-OG 3.45Å; K40-S43 PolarHBondContact O-N 3.29Å; K40-S43 PolarHBondContact O-OG 2.82Å
44E89.8Confident92.6Very high82 Ų8245.7 Ų45.738%0.38324%0.238SC..THydrogen-bonded Turntrans-89.61.5178.2-67.8-171.7-154.300113.7K40 I42 K46K40-E44 WeakPolarHBondContact CE-OE1 3.26Å; K40-E44 PolarHBondContact O-N 2.78Å; I42-E44 VanDerWaalsContact C-N 3.26Å; I42-E44 PolarHBondContact O-N 3.3Å; E44-K46 HydrophobicContact CB-CB 4.39Å; E44-K46 HydrophobicContact CB-CD 4.1Å; E44-K46 HydrophobicContact CB-CG 4.3Å; E44-K46 WeakPolarHBondContact O-CG 3.4Å; E44-K46 PolarHBondContact O-N 2.64Å; E44-K46 IonicContact OE2-NZ 3.3Å; E44-K46 PolarHBondContact OE2-NZ 2.89Å
45D85.3Confident92.7Very high122 Ų12247.3 Ų47.365%0.65225%0.25SC*.THydrogen-bonded Turntrans53.236.4-172.7-161.529.2000113.3F41 I42F41-D45 PolarHBondContact O-N 2.83Å; I42-D45 PolarHBondContact O-N 3.45Å; I42-D45 VanDerWaalsContact O-N 3.12Å
46K89.1Confident92.9Very high130 Ų13049.6 Ų49.657%0.56527%0.265SS*.  trans-122.329.7-176.8-70.7173.8-161.1161.20112.4F41 E44 P48F41-K46 PolarHBondContact O-N 3.36Å; E44-K46 HydrophobicContact CB-CB 4.39Å; E44-K46 HydrophobicContact CB-CD 4.1Å; E44-K46 HydrophobicContact CB-CG 4.3Å; E44-K46 WeakPolarHBondContact O-CG 3.4Å; E44-K46 PolarHBondContact O-N 2.64Å; E44-K46 IonicContact OE2-NZ 3.3Å; E44-K46 PolarHBondContact OE2-NZ 2.89Å; K46-P48 WeakPolarHBondContact O-CD 3.35Å; K46-P48 VanDerWaalsContact O-N 3.15Å
47L91.6Very high93Very high3 Ų347.3 Ų47.32%0.01625%0.251CS..  trans-61.7115.9-179.4-16670.8000110.5I38 F41 I42 L50 L71 F113 R144I38-L47 HydrophobicContact CG2-CD1 4.4Å; F41-L47 HydrophobicContact CB-CD1 3.88Å; F41-L47 PolarHBondContact O-N 2.96Å; I42-L47 HydrophobicContact CG1-CD1 4.01Å; L47-L50 HydrophobicContact CD1-CD1 4.18Å; L47-L50 HydrophobicContact CD1-CD2 4.5Å; L47-L71 HydrophobicContact CD2-CD1 4.12Å; L47-F113 HydrophobicContact CB-CE1 4.25Å; L47-F113 HydrophobicContact CB-CZ 3.81Å; L47-F113 HydrophobicContact CD2-CE2 3.8Å; L47-F113 HydrophobicContact CD2-CZ 3.65Å; L47-F113 HydrophobicContact CG-CZ 4.37Å; L47-R144 WeakPolarHBondContact O-CD 3.29Å; L47-R144 PolarHBondContact O-NE 3.27Å
48P95.3Very high93Very high32 Ų3244.8 Ų44.821%0.20824%0.235CC..  trans-79.1179.7176.133.8-33.7000110.7F41 K46 L50 T164F41-P48 HydrophobicContact CD2-CG 4.28Å; F41-P48 HydrophobicContact CE2-CG 4.21Å; K46-P48 WeakPolarHBondContact O-CD 3.35Å; K46-P48 VanDerWaalsContact O-N 3.15Å; P48-L50 HydrophobicContact CG-CD2 4.12Å; P48-T164 WeakPolarHBondContact CG-OG1 3.35Å
49H97.7Very high93.1Very high10 Ų1045.5 Ų45.55%0.04624%0.243CC..  trans-65.1140.9160.6-53-72.6000108.9T140 T143 F145 C163 T164H49-T140 PolarHBondContact NE2-OG1 3.11Å; H49-T143 PolarHBondContact CE1-O 2.92Å; H49-T143 VanDerWaalsContact CE1-O 3.25Å; H49-F145 CarbonylContact C-O 3.53Å; H49-F145 VanDerWaalsContact CA-O 3.28Å; H49-F145 WeakPolarHBondContact CA-O 3.29Å; H49-F145 AromaticContact CE1-CD2 3.72Å; H49-F145 AromaticContact ND1-CD2 3.57Å; H49-F145 PolarHBondContact ND1-N 3.49Å; H49-F145 VanDerWaalsContact ND1-N 3.18Å; H49-C163 HydrophobicContact CB-CB 4.36Å; H49-C163 CarbonylContact O-C 3.45Å; H49-C163 VanDerWaalsContact O-CA 3.3Å; H49-C163 WeakPolarHBondContact O-CA 3.43Å; H49-T164 PolarHBondContact O-N 3.07Å
50L98.1Very high93.4Very high1 Ų142.6 Ų42.61%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-114145.1-174-58.6174.9000110L47 P48 F52 I64 F145 C146 L147 T164 F166L47-L50 HydrophobicContact CD1-CD1 4.18Å; L47-L50 HydrophobicContact CD1-CD2 4.5Å; P48-L50 HydrophobicContact CG-CD2 4.12Å; L50-F52 HydrophobicContact CB-CD1 4.32Å; L50-F52 HydrophobicContact CB-CE1 3.91Å; L50-F52 HydrophobicContact CD1-CE1 4.04Å; L50-F52 HydrophobicContact CD1-CZ 4.01Å; L50-F52 HydrophobicContact CG-CE1 4.39Å; L50-I64 HydrophobicContact CD1-CD1 3.88Å; L50-F145 PolarHBondContact N-O 3.11Å; L50-C146 HydrophobicContact CB-CB 4.16Å; L50-C146 CarbonylContact O-C 3.57Å; L50-C146 WeakPolarHBondContact O-CA 3.29Å; L50-L147 PolarHBondContact O-N 3.06Å; L50-T164 WeakPolarHBondContact CA-O 3.26Å; L50-F166 HydrophobicContact CD2-CD2 4.19Å; L50-F166 HydrophobicContact CD2-CE2 3.68Å
51L98.4Very high93.4Very high0 Ų037.6 Ų37.60%021%0.209CC..EExtended strand (participates in β ladder)trans-130.6108.7169.7-171.4162.1000108.8Y53 L147 L152 I155 Q160 C163 T164 R165 F166L51-Y53 HydrophobicContact CD2-CD1 3.79Å; L51-Y53 HydrophobicContact CD2-CG 4.21Å; L51-L147 CarbonylContact C-O 3.5Å; L51-L147 VanDerWaalsContact CA-O 3.3Å; L51-L147 WeakPolarHBondContact CA-O 3.42Å; L51-L147 HydrophobicContact CG-CB 4.38Å; L51-L152 HydrophobicContact CD1-CD1 3.97Å; L51-L152 HydrophobicContact CD2-CD1 3.58Å; L51-L152 HydrophobicContact CG-CD1 4.47Å; L51-I155 HydrophobicContact CD1-CG2 4.09Å; L51-Q160 HydrophobicContact CD1-CG 4.18Å; L51-C163 HydrophobicContact CB-CB 3.66Å; L51-T164 PolarHBondContact N-O 3.49Å; L51-R165 HydrophobicContact CB-CG 4.27Å; L51-R165 HydrophobicContact CD2-CG 4.48Å; L51-R165 CarbonylContact O-C 3.58Å; L51-R165 WeakPolarHBondContact O-CA 3.25Å; L51-F166 PolarHBondContact O-N 3.4Å
52F98.3Very high93.5Very high0 Ų036 Ų360%021%0.205CC..EExtended strand (participates in β ladder)trans-97.7123.4177.9-67.3-0.3000109.3I38 L50 K60 T63 I64 L147 I148 C149 F166 F168I38-F52 HydrophobicContact CD1-CE1 3.99Å; I38-F52 HydrophobicContact CD1-CZ 3.55Å; L50-F52 HydrophobicContact CB-CD1 4.32Å; L50-F52 HydrophobicContact CB-CE1 3.91Å; L50-F52 HydrophobicContact CD1-CE1 4.04Å; L50-F52 HydrophobicContact CD1-CZ 4.01Å; L50-F52 HydrophobicContact CG-CE1 4.39Å; F52-K60 HydrophobicContact CB-CB 4.26Å; F52-K60 HydrophobicContact CB-CD 4.49Å; F52-K60 HydrophobicContact CB-CG 4.48Å; F52-T63 HydrophobicContact CE2-CG2 4.08Å; F52-T63 HydrophobicContact CZ-CG2 4.48Å; F52-I64 HydrophobicContact CD2-CB 4.41Å; F52-I64 HydrophobicContact CE2-CB 3.79Å; F52-L147 PolarHBondContact N-O 2.66Å; F52-I148 HydrophobicContact CB-CG1 4.32Å; F52-I148 CarbonylContact O-C 3.48Å; F52-I148 VanDerWaalsContact O-CA 3.32Å; F52-I148 WeakPolarHBondContact O-CA 3.35Å; F52-C149 PolarHBondContact O-N 2.76Å; F52-F166 WeakPolarHBondContact CA-O 3.33Å; F52-F166 HydrophobicContact CD1-CB 3.81Å; F52-F166 HydrophobicContact CD1-CD2 4.05Å; F52-F166 HydrophobicContact CD1-CG 4.34Å; F52-F166 HydrophobicContact CE1-CB 4.05Å; F52-F166 AromaticContact CE1-CD2 3.64Å; F52-F166 HydrophobicContact CE1-CD2 3.64Å; F52-F166 HydrophobicContact CE1-CE2 4.47Å; F52-F166 HydrophobicContact CE1-CG 4.13Å; F52-F168 HydrophobicContact CB-CD2 4.14Å; F52-F168 HydrophobicContact CB-CE2 3.79Å; F52-F168 AromaticContact CD1-CE2 3.85Å; F52-F168 HydrophobicContact CD1-CE2 3.85Å; F52-F168 AromaticContact CD2-CE2 3.76Å; F52-F168 HydrophobicContact CD2-CE2 3.76Å; F52-F168 AromaticContact CD2-CZ 3.89Å; F52-F168 HydrophobicContact CD2-CZ 3.89Å; F52-F168 HydrophobicContact CE1-CE2 4.36Å; F52-F168 HydrophobicContact CE2-CE2 4.26Å; F52-F168 HydrophobicContact CE2-CZ 4.05Å; F52-F168 HydrophobicContact CG-CD2 4.36Å; F52-F168 AromaticContact CG-CE2 3.52Å; F52-F168 HydrophobicContact CG-CE2 3.52Å; F52-F168 HydrophobicContact CG-CZ 4.13Å; F52-F168 HydrophobicContact CZ-CZ 4.46Å
53Y97.7Very high93.8Very high49 Ų4934.7 Ų34.719%0.19220%0.198CC..EExtended strand (participates in β ladder)trans-137.8149.7-178.873.3-77.8000112.6L51 C149 L152 R165 F166 R167 F168L51-Y53 HydrophobicContact CD2-CD1 3.79Å; L51-Y53 HydrophobicContact CD2-CG 4.21Å; Y53-C149 VanDerWaalsContact CA-O 3.28Å; Y53-C149 WeakPolarHBondContact CA-O 3.38Å; Y53-L152 HydrophobicContact CD2-CB 3.89Å; Y53-L152 HydrophobicContact CD2-CD2 4.38Å; Y53-L152 HydrophobicContact CE1-CD2 4.37Å; Y53-L152 HydrophobicContact CE2-CB 4.34Å; Y53-L152 HydrophobicContact CE2-CD2 4.11Å; Y53-L152 HydrophobicContact CG-CB 4.16Å; Y53-R165 HydrophobicContact CE1-CB 4.15Å; Y53-F166 VanDerWaalsContact CD1-O 3.27Å; Y53-F166 WeakPolarHBondContact CD1-O 3.36Å; Y53-F166 PolarHBondContact N-O 2.95Å; Y53-R167 HydrophobicContact CD2-CG 4.29Å; Y53-R167 HydrophobicContact CE1-CB 3.77Å; Y53-R167 HydrophobicContact CE1-CG 4.34Å; Y53-R167 HydrophobicContact CE2-CB 3.99Å; Y53-R167 HydrophobicContact CE2-CG 3.63Å; Y53-R167 VanDerWaalsContact CZ-CB 3.48Å; Y53-R167 CarbonylContact O-C 3.58Å; Y53-R167 WeakPolarHBondContact O-CA 3.48Å; Y53-R167 WeakPolarHBondContact OH-CB 3.31Å; Y53-F168 PolarHBondContact O-N 2.6Å
54G96.3Very high94.1Very high6 Ų630.2 Ų30.26%0.06217%0.167CC..SBendtrans147.1-178.8178.200000113.1K60 C149 N150 F168G54-K60 PolarHBondContact O-NZ 3.49Å; G54-C149 PolarHBondContact N-O 2.79Å; G54-N150 WeakPolarHBondContact O-CA 3.27Å; G54-N150 PolarHBondContact O-OD1 2.84Å; G54-F168 WeakPolarHBondContact CA-O 3.41Å
55P94.8Very high94.3Very high56 Ų5626.5 Ų26.536%0.36415%0.15SC..SBendtrans-57158.7-177.9-25.336.6000113.6T58 K60 F168 P170P55-T58 HydrophobicContact CB-CG2 4.13Å; P55-T58 WeakPolarHBondContact O-CG2 3.14Å; P55-T58 PolarHBondContact O-OG1 3.4Å; P55-K60 PolarHBondContact O-NZ 3.25Å; P55-F168 WeakPolarHBondContact CD-O 3.37Å; P55-P170 HydrophobicContact CG-CG 4.18Å
56P93.2Very high94.6Very high59 Ų5920.8 Ų20.838%0.38312%0.12SC..THydrogen-bonded Turntrans-61.4157.917428-35.5000111.7T58P56-T58 PolarHBondContact O-N 2.81Å; P56-T58 VanDerWaalsContact O-N 3.11Å
57G92.9Very high94.6Very high11 Ų1114.7 Ų14.711%0.1139%0.093CC..THydrogen-bonded Turntrans67.611.617400000116.5D206 M207G57-D206 WeakPolarHBondContact CA-OD1 3.19Å; G57-M207 WeakPolarHBondContact O-CB 3.2Å; G57-M207 PolarHBondContact O-N 3.32Å
58T94Very high94.6Very high2 Ų214.5 Ų14.51%0.0129%0.092CC..SBendtrans-88.7-1.3178.4520000114H31 P55 P56 G169H31-T58 PolarHBondContact NE2-O 2.78Å; P55-T58 HydrophobicContact CB-CG2 4.13Å; P55-T58 WeakPolarHBondContact O-CG2 3.14Å; P55-T58 PolarHBondContact O-OG1 3.4Å; P56-T58 PolarHBondContact O-N 2.81Å; P56-T58 VanDerWaalsContact O-N 3.11Å; T58-G169 WeakPolarHBondContact CG2-O 3.5Å
59G93.5Very high94.3Very high17 Ų1716.8 Ų16.818%0.17510%0.097CC..SBendtrans95.212.8174.700000116.1S62 T63G59-S62 PolarHBondContact O-N 2.84Å; G59-T63 VanDerWaalsContact O-CB 3.28Å; G59-T63 WeakPolarHBondContact O-CB 3.49Å; G59-T63 PolarHBondContact O-N 3.06Å; G59-T63 PolarHBondContact O-OG1 3.42Å
60K94.9Very high93.8Very high13 Ų1321.8 Ų21.86%0.05712%0.12CC..Hα-helixtrans-51.7-59.2178.9-55.2-173.8-62.9-88.20113.1F52 G54 P55 T63 I64 I148 C149 N150 F168F52-K60 HydrophobicContact CB-CB 4.26Å; F52-K60 HydrophobicContact CB-CD 4.49Å; F52-K60 HydrophobicContact CB-CG 4.48Å; G54-K60 PolarHBondContact O-NZ 3.49Å; P55-K60 PolarHBondContact O-NZ 3.25Å; K60-T63 PolarHBondContact O-N 3.18Å; K60-I64 PolarHBondContact O-N 3.35Å; K60-I148 HydrophobicContact CB-CG2 3.62Å; K60-I148 HydrophobicContact CD-CG2 3.83Å; K60-I148 VanDerWaalsContact CE-CG2 3.43Å; K60-I148 HydrophobicContact CG-CG2 4.34Å; K60-C149 WeakPolarHBondContact CE-O 3.44Å; K60-N150 PolarHBondContact NZ-OD1 2.82Å; K60-F168 HydrophobicContact CD-CB 4.38Å; K60-F168 HydrophobicContact CG-CB 3.84Å; K60-F168 HydrophobicContact CG-CD1 4.14Å; K60-F168 HydrophobicContact CG-CD2 3.92Å; K60-F168 HydrophobicContact CG-CG 3.69Å
61T94.2Very high93.3Very high19 Ų1924.1 Ų24.112%0.11713%0.132CC..Hα-helixtrans-65.4-44.1-179.2-400000111.5T63 I64 L65 D119 I148T61-T63 VanDerWaalsContact C-N 3.27Å; T61-T63 PolarHBondContact O-N 3.13Å; T61-I64 WeakPolarHBondContact O-CG2 3.43Å; T61-I64 PolarHBondContact O-N 3.11Å; T61-L65 HydrophobicContact CG2-CD1 3.97Å; T61-L65 HydrophobicContact CG2-CG 4.46Å; T61-L65 WeakPolarHBondContact O-CB 3.39Å; T61-L65 VanDerWaalsContact O-CG 3.29Å; T61-L65 WeakPolarHBondContact O-CG 2.95Å; T61-L65 PolarHBondContact O-N 3.43Å; T61-L65 VanDerWaalsContact O-N 3.08Å; T61-D119 WeakPolarHBondContact CB-OD2 3.15Å; T61-D119 WeakPolarHBondContact CG2-OD2 3.32Å; T61-D119 PolarHBondContact OG1-OD2 2.97Å; T61-I148 HydrophobicContact CG2-CD1 4.26Å
62S93.6Very high92.8Very high21 Ų2125 Ų2515%0.14714%0.136CC..Hα-helixtrans-59.2-38.2176.7-53.50000112.3G59 A66G59-S62 PolarHBondContact O-N 2.84Å; S62-A66 VanDerWaalsContact O-CB 3.29Å; S62-A66 WeakPolarHBondContact O-CB 3.45Å; S62-A66 PolarHBondContact O-N 2.82Å
63T94.3Very high92.1Very high1 Ų132.8 Ų32.81%0.00617%0.169CC..Hα-helixtrans-64-53.8179.4-60.10000111.7L28 L35 I38 F52 G59 K60 T61 L65 A66 C67 F168L28-T63 HydrophobicContact CD1-CG2 4.34Å; L35-T63 HydrophobicContact CD2-CG2 3.51Å; I38-T63 HydrophobicContact CD1-CG2 4.25Å; F52-T63 HydrophobicContact CE2-CG2 4.08Å; F52-T63 HydrophobicContact CZ-CG2 4.48Å; G59-T63 VanDerWaalsContact O-CB 3.28Å; G59-T63 WeakPolarHBondContact O-CB 3.49Å; G59-T63 PolarHBondContact O-N 3.06Å; G59-T63 PolarHBondContact O-OG1 3.42Å; K60-T63 PolarHBondContact O-N 3.18Å; T61-T63 VanDerWaalsContact C-N 3.27Å; T61-T63 PolarHBondContact O-N 3.13Å; T63-L65 VanDerWaalsContact C-N 3.31Å; T63-L65 PolarHBondContact O-N 3.29Å; T63-A66 PolarHBondContact O-N 2.83Å; T63-C67 PolarHBondContact O-N 3.31Å; T63-C67 PolarHBondContact O-SG 2.92Å; T63-F168 HydrophobicContact CG2-CE1 4.43Å; T63-F168 HydrophobicContact CG2-CZ 4.18Å
64I94.3Very high91.3Very high1 Ų136.9 Ų36.91%0.00520%0.195CC..Hα-helixtrans-67.2-34.6-177.8-171.164.3000111.9L50 F52 K60 T61 C67 A68 L115 I117 C146 I148L50-I64 HydrophobicContact CD1-CD1 3.88Å; F52-I64 HydrophobicContact CD2-CB 4.41Å; F52-I64 HydrophobicContact CE2-CB 3.79Å; K60-I64 PolarHBondContact O-N 3.35Å; T61-I64 WeakPolarHBondContact O-CG2 3.43Å; T61-I64 PolarHBondContact O-N 3.11Å; I64-C67 HydrophobicContact CD1-CB 4.44Å; I64-C67 WeakPolarHBondContact O-CB 3.37Å; I64-C67 PolarHBondContact O-N 3.3Å; I64-A68 VanDerWaalsContact O-CB 3.29Å; I64-A68 WeakPolarHBondContact O-CB 3.39Å; I64-A68 PolarHBondContact O-N 3.18Å; I64-L115 HydrophobicContact CD1-CD2 4.24Å; I64-L115 HydrophobicContact CG1-CD2 4.34Å; I64-I117 HydrophobicContact CB-CD1 4.49Å; I64-I117 HydrophobicContact CG1-CD1 3.8Å; I64-I117 HydrophobicContact CG1-CG1 3.92Å; I64-I117 HydrophobicContact CG2-CD1 4.01Å; I64-I117 HydrophobicContact CG2-CG1 4.41Å; I64-I117 HydrophobicContact CG2-CG2 3.85Å; I64-C146 HydrophobicContact CD1-CB 3.86Å; I64-C146 HydrophobicContact CG1-CB 3.73Å; I64-I148 HydrophobicContact CG2-CD1 3.86Å
65L92.8Very high90.6Very high4 Ų446.3 Ų46.32%0.02123%0.234CC..Hα-helixtrans-66.3-41.3176.1-71.5175.2000111.6T61 T63 A68 R69 F77 I117T61-L65 HydrophobicContact CG2-CD1 3.97Å; T61-L65 HydrophobicContact CG2-CG 4.46Å; T61-L65 WeakPolarHBondContact O-CB 3.39Å; T61-L65 VanDerWaalsContact O-CG 3.29Å; T61-L65 WeakPolarHBondContact O-CG 2.95Å; T61-L65 PolarHBondContact O-N 3.43Å; T61-L65 VanDerWaalsContact O-N 3.08Å; T63-L65 VanDerWaalsContact C-N 3.31Å; T63-L65 PolarHBondContact O-N 3.29Å; L65-A68 PolarHBondContact O-N 3.38Å; L65-R69 WeakPolarHBondContact O-CG 3.24Å; L65-R69 PolarHBondContact O-N 3.34Å; L65-F77 HydrophobicContact CD2-CZ 4.29Å; L65-I117 HydrophobicContact CD2-CD1 3.9Å
66A91.3Very high90.1Very high2 Ų246.5 Ų46.52%0.01723%0.23CC..Hα-helixtrans-63.7-42.4173.500000111.8L25 L28 S62 T63 A68 R69 Q70L25-A66 HydrophobicContact CD2-CB 3.63Å; L25-A66 HydrophobicContact CG-CB 4.22Å; L28-A66 HydrophobicContact CD1-CB 4.18Å; S62-A66 VanDerWaalsContact O-CB 3.29Å; S62-A66 WeakPolarHBondContact O-CB 3.45Å; S62-A66 PolarHBondContact O-N 2.82Å; T63-A66 PolarHBondContact O-N 2.83Å; A66-A68 VanDerWaalsContact C-N 3.33Å; A66-A68 PolarHBondContact O-N 3.38Å; A66-R69 PolarHBondContact O-N 3.4Å; A66-Q70 PolarHBondContact O-N 2.77Å; A66-Q70 VanDerWaalsContact O-N 3.1Å
67C90.4Very high89.8Confident1 Ų145.1 Ų45.11%0.00722%0.218CC..Hα-helixtrans-59.6-43.3172-68.50000111.8L25 I38 I42 T63 I64 R69 Q70 L71L25-C67 VanDerWaalsContact CD2-SG 3.58Å; I38-C67 VanDerWaalsContact CG2-SG 3.54Å; I42-C67 HydrophobicContact CD1-CB 4.04Å; T63-C67 PolarHBondContact O-N 3.31Å; T63-C67 PolarHBondContact O-SG 2.92Å; I64-C67 HydrophobicContact CD1-CB 4.44Å; I64-C67 WeakPolarHBondContact O-CB 3.37Å; I64-C67 PolarHBondContact O-N 3.3Å; C67-R69 PolarHBondContact O-N 2.96Å; C67-Q70 WeakPolarHBondContact O-CB 3.32Å; C67-Q70 PolarHBondContact O-N 2.92Å; C67-L71 WeakPolarHBondContact O-CG 3.34Å; C67-L71 PolarHBondContact O-N 2.86Å
68A91.1Very high89.5Confident0 Ų051.3 Ų51.30%025%0.249CC..Hα-helixtrans-64.5-39.1-179.600000112I64 L65 A66 Q70 L71 Y72 F77 V81 L115I64-A68 VanDerWaalsContact O-CB 3.29Å; I64-A68 WeakPolarHBondContact O-CB 3.39Å; I64-A68 PolarHBondContact O-N 3.18Å; L65-A68 PolarHBondContact O-N 3.38Å; A66-A68 VanDerWaalsContact C-N 3.33Å; A66-A68 PolarHBondContact O-N 3.38Å; A68-Q70 VanDerWaalsContact C-N 3.3Å; A68-Q70 PolarHBondContact O-N 3.28Å; A68-L71 PolarHBondContact O-N 3.05Å; A68-Y72 VanDerWaalsContact O-CD2 3.26Å; A68-Y72 WeakPolarHBondContact O-CD2 3.47Å; A68-Y72 PolarHBondContact O-N 3.28Å; A68-F77 HydrophobicContact CB-CE2 3.68Å; A68-F77 HydrophobicContact CB-CZ 4.2Å; A68-V81 HydrophobicContact CB-CG1 4.5Å; A68-V81 HydrophobicContact CB-CG2 4.07Å; A68-L115 HydrophobicContact CB-CD2 3.75Å
69R89.4Confident89.2Confident79 Ų7953.9 Ų53.930%0.29827%0.267SS..Hα-helixtrans-67.8-28.7174.1-70.9-177.6-171.3116.9-1.3113.1Q23 L65 A66 C67 F77Q23-R69 PolarHBondContact O-NH1 3.03Å; Q23-R69 VanDerWaalsContact OE1-NH2 3.1Å; L65-R69 WeakPolarHBondContact O-CG 3.24Å; L65-R69 PolarHBondContact O-N 3.34Å; A66-R69 PolarHBondContact O-N 3.4Å; C67-R69 PolarHBondContact O-N 2.96Å; R69-F77 HydrophobicContact CG-CD2 4.11Å; R69-F77 HydrophobicContact CG-CE2 3.7Å
70Q86.8Confident89.1Confident116 Ų11653.2 Ų53.254%0.54226%0.259SS..Hα-helixtrans-73.7-38.3172.3-170.9-177.811.300111.8A66 C67 A68A66-Q70 PolarHBondContact O-N 2.77Å; A66-Q70 VanDerWaalsContact O-N 3.1Å; C67-Q70 WeakPolarHBondContact O-CB 3.32Å; C67-Q70 PolarHBondContact O-N 2.92Å; A68-Q70 VanDerWaalsContact C-N 3.3Å; A68-Q70 PolarHBondContact O-N 3.28Å
71L86.7Confident89Confident50 Ų5053.1 Ų53.126%0.26226%0.259SS..Hα-helixtrans-70.5-40.3179.4-77.7169.2000112.9I42 L47 C67 A68 F113I42-L71 HydrophobicContact CB-CD2 4.29Å; I42-L71 HydrophobicContact CD1-CD1 4.22Å; I42-L71 HydrophobicContact CD1-CD2 4.41Å; I42-L71 HydrophobicContact CD1-CG 4.17Å; I42-L71 HydrophobicContact CG1-CD1 4.33Å; I42-L71 HydrophobicContact CG1-CD2 4.06Å; I42-L71 HydrophobicContact CG1-CG 4.33Å; I42-L71 HydrophobicContact CG2-CD2 3.48Å; I42-L71 VanDerWaalsContact CG2-CD2 3.48Å; I42-L71 HydrophobicContact CG2-CG 4.23Å; L47-L71 HydrophobicContact CD2-CD1 4.12Å; C67-L71 WeakPolarHBondContact O-CG 3.34Å; C67-L71 PolarHBondContact O-N 2.86Å; A68-L71 PolarHBondContact O-N 3.05Å; L71-F113 HydrophobicContact CD1-CE2 4.4Å; L71-F113 HydrophobicContact CD1-CZ 4.31Å; L71-F113 HydrophobicContact CD2-CZ 4.46Å
72Y88.1Confident89Confident17 Ų1753.8 Ų53.87%0.06726%0.262CS..SBendtrans-122.8133.8-172.9-49.6-69000111.1A68 M80 V81 F113 L115A68-Y72 VanDerWaalsContact O-CD2 3.26Å; A68-Y72 WeakPolarHBondContact O-CD2 3.47Å; A68-Y72 PolarHBondContact O-N 3.28Å; Y72-M80 HydrophobicContact CD1-CB 3.54Å; Y72-M80 HydrophobicContact CD1-CE 4.25Å; Y72-M80 HydrophobicContact CD1-CG 3.82Å; Y72-M80 HydrophobicContact CD2-CB 4.15Å; Y72-M80 HydrophobicContact CE1-CB 3.68Å; Y72-M80 HydrophobicContact CE1-CE 3.71Å; Y72-M80 HydrophobicContact CE1-CG 4.12Å; Y72-M80 HydrophobicContact CE2-CB 4.28Å; Y72-M80 HydrophobicContact CG-CB 3.79Å; Y72-M80 HydrophobicContact CG-CG 4.4Å; Y72-V81 HydrophobicContact CD2-CG2 3.36Å; Y72-V81 HydrophobicContact CE2-CG2 3.59Å; Y72-V81 HydrophobicContact CG-CG2 4.35Å; Y72-F113 WeakPolarHBondContact OH-CD2 3.44Å; Y72-F113 WeakPolarHBondContact OH-CE2 3.42Å; Y72-F113 PolarHBondContact OH-O 3.41Å; Y72-L115 HydrophobicContact CE2-CB 3.98Å; Y72-L115 HydrophobicContact CE2-CD2 4.43Å
73K82.9Confident89.1Confident164 Ų16457.2 Ų57.271%0.71328%0.276SS*.  trans-63.4153.1172.4-62.9177.8-179.9176.90110.3K75 E76 F77K73-K75 VanDerWaalsContact C-N 3.25Å; K73-K75 PolarHBondContact O-N 3.08Å; K73-K75 VanDerWaalsContact O-N 3.09Å; K73-E76 HydrophobicContact CB-CG 4.27Å; K73-E76 WeakPolarHBondContact O-CA 3.35Å; K73-E76 WeakPolarHBondContact O-CB 3.49Å; K73-E76 PolarHBondContact O-N 3.5Å; K73-F77 PolarHBondContact O-N 3.4Å
74D81.3Confident88.9Confident135 Ų13558.9 Ų58.972%0.72229%0.285SS*.Hα-helixtrans-51.7-40.3-176.9-62.9-33.4000114.1E76 F77D74-E76 PolarHBondContact O-N 3.15Å; D74-F77 PolarHBondContact O-N 3.1Å
75K82.1Confident88.7Confident205 Ų20561.6 Ų61.689%0.89130%0.299SS*.Hα-helixtrans-65.9-19.7178.3-65.4-175179.2-179.30113.5K73K73-K75 VanDerWaalsContact C-N 3.25Å; K73-K75 PolarHBondContact O-N 3.08Å; K73-K75 VanDerWaalsContact O-N 3.09Å
76E85Confident88.1Confident59 Ų5961.5 Ų61.528%0.27630%0.299SS..Hα-helixtrans-106-21.8-173.9-49.4-165.3112.600112.2K73 D74 N78 S79 M80 K110K73-E76 HydrophobicContact CB-CG 4.27Å; K73-E76 WeakPolarHBondContact O-CA 3.35Å; K73-E76 WeakPolarHBondContact O-CB 3.49Å; K73-E76 PolarHBondContact O-N 3.5Å; D74-E76 PolarHBondContact O-N 3.15Å; E76-N78 PolarHBondContact O-N 3.31Å; E76-S79 WeakPolarHBondContact O-CA 3.28Å; E76-S79 PolarHBondContact O-N 2.85Å; E76-S79 PolarHBondContact O-OG 3.36Å; E76-M80 HydrophobicContact CB-CG 4.27Å; E76-M80 WeakPolarHBondContact O-CB 3.43Å; E76-M80 WeakPolarHBondContact O-CG 3.49Å; E76-M80 PolarHBondContact O-N 2.84Å; E76-K110 HydrophobicContact CG-CD 4.5Å; E76-K110 WeakPolarHBondContact OE1-CD 3.16Å; E76-K110 WeakPolarHBondContact OE1-CE 3.46Å; E76-K110 IonicContact OE1-NZ 3.12Å; E76-K110 PolarHBondContact OE1-NZ 2.94Å; E76-K110 VanDerWaalsContact OE1-NZ 3.12Å
77F86.9Confident87.4Confident30 Ų3063.2 Ų63.213%0.13231%0.311CS..Hα-helixtrans-47.9-56.6-174.7-168.7-86.8000112.1L65 A68 R69 K73 D74 S79 M80 V81L65-F77 HydrophobicContact CD2-CZ 4.29Å; A68-F77 HydrophobicContact CB-CE2 3.68Å; A68-F77 HydrophobicContact CB-CZ 4.2Å; R69-F77 HydrophobicContact CG-CD2 4.11Å; R69-F77 HydrophobicContact CG-CE2 3.7Å; K73-F77 PolarHBondContact O-N 3.4Å; D74-F77 PolarHBondContact O-N 3.1Å; F77-S79 PolarHBondContact O-N 2.84Å; F77-S79 VanDerWaalsContact O-N 3.11Å; F77-M80 PolarHBondContact O-N 3.32Å; F77-V81 HydrophobicContact CD1-CB 4.24Å; F77-V81 HydrophobicContact CD1-CG2 4.45Å; F77-V81 HydrophobicContact CD2-CG2 4Å; F77-V81 HydrophobicContact CE1-CB 4.02Å; F77-V81 HydrophobicContact CE1-CG1 4.11Å; F77-V81 HydrophobicContact CE1-CG2 4.37Å; F77-V81 HydrophobicContact CE2-CB 4.43Å; F77-V81 HydrophobicContact CE2-CG2 3.93Å; F77-V81 HydrophobicContact CG-CG2 4.26Å; F77-V81 HydrophobicContact CZ-CB 4.12Å; F77-V81 HydrophobicContact CZ-CG1 3.97Å; F77-V81 HydrophobicContact CZ-CG2 4.12Å; F77-V81 WeakPolarHBondContact O-CB 3.38Å; F77-V81 PolarHBondContact O-N 3.31Å
78N86.1Confident86.8Confident142 Ų14269.4 Ų69.476%0.75934%0.344SS*.Hα-helixtrans-64.5-20.8-178-63.2-18.5000114.2E76E76-N78 PolarHBondContact O-N 3.31Å
79S88.2Confident85.8Confident55 Ų5573.4 Ų73.439%0.38537%0.365SS..Hα-helixtrans-90.1-21.6177.165.70000113.3E76 F77 K110E76-S79 WeakPolarHBondContact O-CA 3.28Å; E76-S79 PolarHBondContact O-N 2.85Å; E76-S79 PolarHBondContact O-OG 3.36Å; F77-S79 PolarHBondContact O-N 2.84Å; F77-S79 VanDerWaalsContact O-N 3.11Å; S79-K110 PolarHBondContact OG-NZ 2.76Å; S79-K110 VanDerWaalsContact OG-NZ 3.11Å
80M91.1Very high85.1Confident4 Ų477.3 Ų77.32%0.0238%0.38CS..Hα-helixtrans-111.1-18.9-172.7-64-58.8-67.200112.9Y72 E76 F77 T107 K110 F113 K114 L115Y72-M80 HydrophobicContact CD1-CB 3.54Å; Y72-M80 HydrophobicContact CD1-CE 4.25Å; Y72-M80 HydrophobicContact CD1-CG 3.82Å; Y72-M80 HydrophobicContact CD2-CB 4.15Å; Y72-M80 HydrophobicContact CE1-CB 3.68Å; Y72-M80 HydrophobicContact CE1-CE 3.71Å; Y72-M80 HydrophobicContact CE1-CG 4.12Å; Y72-M80 HydrophobicContact CE2-CB 4.28Å; Y72-M80 HydrophobicContact CG-CB 3.79Å; Y72-M80 HydrophobicContact CG-CG 4.4Å; E76-M80 HydrophobicContact CB-CG 4.27Å; E76-M80 WeakPolarHBondContact O-CB 3.43Å; E76-M80 WeakPolarHBondContact O-CG 3.49Å; E76-M80 PolarHBondContact O-N 2.84Å; F77-M80 PolarHBondContact O-N 3.32Å; M80-T107 HydrophobicContact CE-CG2 4.08Å; M80-T107 HydrophobicContact SD-CG2 3.68Å; M80-K110 HydrophobicContact CG-CD 4.35Å; M80-K110 HydrophobicContact SD-CB 4.49Å; M80-K110 HydrophobicContact SD-CD 3.99Å; M80-F113 WeakPolarHBondContact CE-O 3.44Å; M80-K114 HydrophobicContact CE-CG 4.41Å; M80-K114 CarbonylContact O-C 3.56Å; M80-K114 WeakPolarHBondContact O-CA 3.37Å; M80-L115 PolarHBondContact O-N 2.97Å
81V93.4Very high84.6Confident10 Ų1072.8 Ų72.86%0.06137%0.365CS..EExtended strand (participates in β ladder)trans-120.6127.4-179-173.40000109.6A68 Y72 F77 L115 I117A68-V81 HydrophobicContact CB-CG1 4.5Å; A68-V81 HydrophobicContact CB-CG2 4.07Å; Y72-V81 HydrophobicContact CD2-CG2 3.36Å; Y72-V81 HydrophobicContact CE2-CG2 3.59Å; Y72-V81 HydrophobicContact CG-CG2 4.35Å; F77-V81 HydrophobicContact CD1-CB 4.24Å; F77-V81 HydrophobicContact CD1-CG2 4.45Å; F77-V81 HydrophobicContact CD2-CG2 4Å; F77-V81 HydrophobicContact CE1-CB 4.02Å; F77-V81 HydrophobicContact CE1-CG1 4.11Å; F77-V81 HydrophobicContact CE1-CG2 4.37Å; F77-V81 HydrophobicContact CE2-CB 4.43Å; F77-V81 HydrophobicContact CE2-CG2 3.93Å; F77-V81 HydrophobicContact CG-CG2 4.26Å; F77-V81 HydrophobicContact CZ-CB 4.12Å; F77-V81 HydrophobicContact CZ-CG1 3.97Å; F77-V81 HydrophobicContact CZ-CG2 4.12Å; F77-V81 WeakPolarHBondContact O-CB 3.38Å; F77-V81 PolarHBondContact O-N 3.31Å; V81-L115 CarbonylContact C-O 3.59Å; V81-L115 VanDerWaalsContact CA-O 3.27Å; V81-L115 WeakPolarHBondContact CA-O 3.29Å; V81-L115 HydrophobicContact CG2-CB 4.46Å; V81-I117 HydrophobicContact CG1-CD1 3.84Å; V81-I117 HydrophobicContact CG1-CG1 4.41Å
82L94Very high84.6Confident33 Ų3372.2 Ų72.217%0.17336%0.362CS..EExtended strand (participates in β ladder)trans-114.4109.6169.2174.964.5000108.4L84 F102 L115 V116 I117L82-L84 HydrophobicContact CD1-CD1 4.42Å; L82-L84 HydrophobicContact CD1-CD2 4.23Å; L82-L84 HydrophobicContact CD1-CG 4.08Å; L82-L84 HydrophobicContact CD2-CD1 3.86Å; L82-L84 HydrophobicContact CD2-CG 4.36Å; L82-L84 HydrophobicContact CG-CD1 4.05Å; L82-L84 HydrophobicContact CG-CG 3.99Å; L82-F102 HydrophobicContact CB-CD1 3.67Å; L82-F102 HydrophobicContact CB-CD2 4.07Å; L82-F102 HydrophobicContact CB-CE1 3.59Å; L82-F102 HydrophobicContact CB-CE2 4.02Å; L82-F102 HydrophobicContact CB-CG 3.89Å; L82-F102 HydrophobicContact CB-CZ 3.78Å; L82-F102 HydrophobicContact CD2-CB 3.63Å; L82-F102 HydrophobicContact CD2-CD1 3.94Å; L82-F102 HydrophobicContact CD2-CD2 4.41Å; L82-F102 HydrophobicContact CD2-CG 3.76Å; L82-F102 HydrophobicContact CG-CD1 4.47Å; L82-F102 HydrophobicContact CG-CG 4.4Å; L82-L115 PolarHBondContact N-O 2.84Å; L82-V116 HydrophobicContact CB-CG2 4.41Å; L82-V116 HydrophobicContact CD2-CG2 4.49Å; L82-V116 CarbonylContact O-C 3.5Å; L82-V116 WeakPolarHBondContact O-CA 3.49Å; L82-I117 PolarHBondContact O-N 3.28Å
83E94Very high84.5Confident93 Ų9376.6 Ų76.644%0.43539%0.386SS..EExtended strand (participates in β ladder)trans-95.1127.9170.6-177-176-173.200109.2
84L92.1Very high84.6Confident37 Ų3769.5 Ų69.519%0.19436%0.357CS..EExtended strand (participates in β ladder)trans-134.3135.3175.2-69169.7000108.9L82 V94 P98 I99 I117 L118 D119L82-L84 HydrophobicContact CD1-CD1 4.42Å; L82-L84 HydrophobicContact CD1-CD2 4.23Å; L82-L84 HydrophobicContact CD1-CG 4.08Å; L82-L84 HydrophobicContact CD2-CD1 3.86Å; L82-L84 HydrophobicContact CD2-CG 4.36Å; L82-L84 HydrophobicContact CG-CD1 4.05Å; L82-L84 HydrophobicContact CG-CG 3.99Å; L84-V94 HydrophobicContact CD1-CG1 3.98Å; L84-P98 HydrophobicContact CD1-CG 4.47Å; L84-I99 HydrophobicContact CD1-CD1 4.01Å; L84-I99 HydrophobicContact CD1-CG1 3.47Å; L84-I99 VanDerWaalsContact CD1-CG1 3.47Å; L84-I117 PolarHBondContact N-O 3.44Å; L84-L118 HydrophobicContact CB-CD2 3.87Å; L84-L118 HydrophobicContact CD1-CD2 4.16Å; L84-L118 WeakPolarHBondContact O-CA 3.29Å; L84-D119 PolarHBondContact O-N 2.97Å
85N89.9Confident84.9Confident57 Ų5763.1 Ų63.131%0.30532%0.322SS..EExtended strand (participates in β ladder)trans-93.4115.5168.3-173.32.9000109.3S87 D88N85-S87 PolarHBondContact ND2-OG 3.4Å; N85-S87 PolarHBondContact O-N 3.29Å; N85-S87 PolarHBondContact OD1-N 3.35Å; N85-S87 PolarHBondContact OD1-OG 2.93Å; N85-D88 PolarHBondContact O-N 3.08Å
86A79.1Confident85.2Confident3 Ų360.2 Ų60.23%0.02531%0.306CS..THydrogen-bonded Turntrans-75.4-9.2-175.800000113.5D88 D89 R90 D119 M124A86-D88 VanDerWaalsContact C-N 3.35Å; A86-D89 CarbonylContact O-C 3.59Å; A86-R90 WeakPolarHBondContact O-CG 3.43Å; A86-D119 VanDerWaalsContact CB-O 3.28Å; A86-D119 WeakPolarHBondContact CB-O 3.36Å; A86-D119 PolarHBondContact N-O 3.19Å; A86-M124 HydrophobicContact CB-CG 3.55Å; A86-M124 HydrophobicContact CB-SD 4.14Å
87S77.8Confident85.5Confident37 Ų3759 Ų5926%0.25931%0.309SS..THydrogen-bonded Turntrans-71-32.1171.666.10000113N85 E120N85-S87 PolarHBondContact ND2-OG 3.4Å; N85-S87 PolarHBondContact O-N 3.29Å; N85-S87 PolarHBondContact OD1-N 3.35Å; N85-S87 PolarHBondContact OD1-OG 2.93Å; S87-E120 WeakPolarHBondContact CB-OE2 3.28Å
88D76.9Confident85.7Confident132 Ų13260.4 Ų60.471%0.70632%0.321SS*.THydrogen-bonded Turntrans-74.2-33.5-173.3-62-16.6000111N85 A86N85-D88 PolarHBondContact O-N 3.08Å; A86-D88 VanDerWaalsContact C-N 3.35Å
89D70.8Confident86Confident84 Ų8453.6 Ų53.645%0.44929%0.285SS..  trans-142.8108.5170-174.7-6.1000110A86 G91 V94A86-D89 CarbonylContact O-C 3.59Å; D89-G91 VanDerWaalsContact C-N 3.29Å; D89-G91 PolarHBondContact OD1-N 3.43Å; D89-V94 HydrophobicContact CB-CG2 3.37Å; D89-V94 WeakPolarHBondContact O-CG2 3.34Å; D89-V94 WeakPolarHBondContact OD2-CG2 3.33Å
90R73.3Confident86.2Confident160 Ų16053.9 Ų53.960%0.60428%0.281SS*.  trans-87.3-3-175.1-59.8-180-68.5174.9-1.1112.7A86 A123 T125A86-R90 WeakPolarHBondContact O-CG 3.43Å; R90-A123 WeakPolarHBondContact CD-O 3.41Å; R90-A123 HydrophobicContact CG-CB 4.45Å; R90-A123 WeakPolarHBondContact CG-O 3.21Å; R90-T125 PolarHBondContact O-N 2.96Å; R90-T125 PolarHBondContact O-OG1 3.3Å
91G77.5Confident86.3Confident22 Ų2257.1 Ų57.123%0.22730%0.304CS..SBendtrans-76.4159.7-170.800000113.6D89 D93D89-G91 VanDerWaalsContact C-N 3.29Å; D89-G91 PolarHBondContact OD1-N 3.43Å; G91-D93 PolarHBondContact O-N 3.15Å
92I86.2Confident86.2Confident38 Ų3858 Ų5820%0.19531%0.308CS..Hα-helixtrans-62.6-20171-167.9165.1000112.3V95 R96 D127 A128 A131I92-V95 WeakPolarHBondContact O-CB 3.47Å; I92-V95 PolarHBondContact O-N 2.84Å; I92-V95 VanDerWaalsContact O-N 3.14Å; I92-R96 VanDerWaalsContact CD1-CZ 3.49Å; I92-R96 HydrophobicContact CG1-CG 4.28Å; I92-R96 PolarHBondContact O-N 3.46Å; I92-D127 HydrophobicContact CD1-CB 4.49Å; I92-A128 HydrophobicContact CB-CB 4.45Å; I92-A131 HydrophobicContact CD1-CB 3.87Å; I92-A131 HydrophobicContact CG1-CB 3.76Å
93D86.3Confident86.1Confident108 Ų10856.6 Ų56.658%0.57830%0.301SS*.Hα-helixtrans-69.4-32.8-176.1-61.8-37.6000112.6G91 V95 R96 G97G91-D93 PolarHBondContact O-N 3.15Å; D93-V95 PolarHBondContact O-N 3.44Å; D93-R96 PolarHBondContact O-N 3.06Å; D93-G97 WeakPolarHBondContact O-CA 3.44Å; D93-G97 PolarHBondContact O-N 3.49Å
94V85.1Confident85.9Confident16 Ų1655.2 Ų55.210%0.09730%0.301CS..Hα-helixtrans-58-40.5170.4-175.90000111L84 D89 P98 I99L84-V94 HydrophobicContact CD1-CG1 3.98Å; D89-V94 HydrophobicContact CB-CG2 3.37Å; D89-V94 WeakPolarHBondContact O-CG2 3.34Å; D89-V94 WeakPolarHBondContact OD2-CG2 3.33Å; V94-P98 HydrophobicContact CG1-CG 4.03Å; V94-P98 WeakPolarHBondContact O-CD 3.36Å; V94-P98 WeakPolarHBondContact O-CG 3.25Å; V94-I99 HydrophobicContact CG1-CD1 4.19Å; V94-I99 HydrophobicContact CG1-CG1 4.39Å; V94-I99 WeakPolarHBondContact O-CG1 3.26Å; V94-I99 PolarHBondContact O-N 2.8Å
95V88Confident85.6Confident0 Ų057.2 Ų57.20%032%0.315CS..Iπ-helixtrans-71.2-43.6179.7-1760000111.2I92 D93 I99 L100 M124 A128 A131 L132 V135I92-V95 WeakPolarHBondContact O-CB 3.47Å; I92-V95 PolarHBondContact O-N 2.84Å; I92-V95 VanDerWaalsContact O-N 3.14Å; D93-V95 PolarHBondContact O-N 3.44Å; V95-I99 HydrophobicContact CG2-CD1 4.28Å; V95-L100 WeakPolarHBondContact O-CB 3.21Å; V95-L100 PolarHBondContact O-N 2.92Å; V95-M124 HydrophobicContact CG2-CE 3.53Å; V95-A128 HydrophobicContact CG2-CB 4.25Å; V95-A131 HydrophobicContact CB-CB 4.28Å; V95-A131 HydrophobicContact CG1-CB 3.87Å; V95-L132 HydrophobicContact CG1-CB 4.08Å; V95-L132 HydrophobicContact CG1-CD1 4.43Å; V95-L132 HydrophobicContact CG2-CB 4.24Å; V95-V135 HydrophobicContact CG1-CG2 3.93Å
96R88.3Confident84.7Confident145 Ų14564.7 Ų64.755%0.54734%0.339SS..Iπ-helixtrans-77.7-22.1-177.3-70.3179.2173.4170.1-1.3113.7I92 D93 L100I92-R96 VanDerWaalsContact CD1-CZ 3.49Å; I92-R96 HydrophobicContact CG1-CG 4.28Å; I92-R96 PolarHBondContact O-N 3.46Å; D93-R96 PolarHBondContact O-N 3.06Å; R96-L100 WeakPolarHBondContact O-CB 3.43Å
97G90.6Very high84.1Confident33 Ų3367 Ų6734%0.3435%0.353SS..Iπ-helixtrans-97.7-97.6179.900000111.8D93 I99 L100 S101D93-G97 WeakPolarHBondContact O-CA 3.44Å; D93-G97 PolarHBondContact O-N 3.49Å; G97-I99 PolarHBondContact O-N 3.28Å; G97-L100 PolarHBondContact O-N 3.16Å; G97-S101 VanDerWaalsContact O-CB 3.26Å; G97-S101 WeakPolarHBondContact O-CB 3.42Å; G97-S101 PolarHBondContact O-N 2.72Å
98P90.8Very high83Confident59 Ų5971.9 Ų71.938%0.38338%0.375SS..Iπ-helixtrans-59.4-43.8-169.720.6-31.6000113.1L84 V94 F102L84-P98 HydrophobicContact CD1-CG 4.47Å; V94-P98 HydrophobicContact CG1-CG 4.03Å; V94-P98 WeakPolarHBondContact O-CD 3.36Å; V94-P98 WeakPolarHBondContact O-CG 3.25Å; P98-F102 VanDerWaalsContact O-CB 3.25Å; P98-F102 WeakPolarHBondContact O-CB 3.33Å; P98-F102 PolarHBondContact O-N 3.03Å
99I92.6Very high81.9Confident0 Ų074.7 Ų74.70%038%0.381CS..Iπ-helixtrans-66.1-49.8-178-59.8179.2000111L84 V94 V95 G97 S101 F102 A103 V116 L118 L132 V135 F145L84-I99 HydrophobicContact CD1-CD1 4.01Å; L84-I99 HydrophobicContact CD1-CG1 3.47Å; L84-I99 VanDerWaalsContact CD1-CG1 3.47Å; V94-I99 HydrophobicContact CG1-CD1 4.19Å; V94-I99 HydrophobicContact CG1-CG1 4.39Å; V94-I99 WeakPolarHBondContact O-CG1 3.26Å; V94-I99 PolarHBondContact O-N 2.8Å; V95-I99 HydrophobicContact CG2-CD1 4.28Å; G97-I99 PolarHBondContact O-N 3.28Å; I99-S101 PolarHBondContact O-N 2.92Å; I99-F102 PolarHBondContact O-N 2.89Å; I99-A103 WeakPolarHBondContact O-CB 3.1Å; I99-A103 PolarHBondContact O-N 2.87Å; I99-V116 HydrophobicContact CG2-CG1 4.46Å; I99-L118 HydrophobicContact CD1-CD1 4.02Å; I99-L118 HydrophobicContact CD1-CD2 3.6Å; I99-L118 HydrophobicContact CD1-CG 4.35Å; I99-L132 HydrophobicContact CD1-CD1 4.29Å; I99-L132 HydrophobicContact CG2-CD1 4.31Å; I99-V135 HydrophobicContact CG2-CG1 4.17Å; I99-F145 HydrophobicContact CG2-CE1 3.76Å; I99-F145 HydrophobicContact CG2-CZ 4.22Å
100L92.9Very high81.3Confident60 Ų6073.7 Ų73.731%0.31437%0.373SS..Hα-helixtrans-63-42.6180-178.661.1000111.9V95 R96 G97 S104 V135 F139V95-L100 WeakPolarHBondContact O-CB 3.21Å; V95-L100 PolarHBondContact O-N 2.92Å; R96-L100 WeakPolarHBondContact O-CB 3.43Å; G97-L100 PolarHBondContact O-N 3.16Å; L100-S104 WeakPolarHBondContact O-CB 3.46Å; L100-S104 PolarHBondContact O-N 3.09Å; L100-S104 PolarHBondContact O-OG 2.85Å; L100-V135 HydrophobicContact CD1-CG2 4.39Å; L100-F139 HydrophobicContact CD1-CE2 3.46Å; L100-F139 VanDerWaalsContact CD1-CE2 3.46Å; L100-F139 HydrophobicContact CD1-CZ 3.83Å
101S92.6Very high80.9Confident72 Ų7276.7 Ų76.750%0.50339%0.39SS..Hα-helixtrans-60.8-46.1176.8-178.50000111.6G97 I99 S104 T105G97-S101 VanDerWaalsContact O-CB 3.26Å; G97-S101 WeakPolarHBondContact O-CB 3.42Å; G97-S101 PolarHBondContact O-N 2.72Å; I99-S101 PolarHBondContact O-N 2.92Å; S101-S104 PolarHBondContact O-N 2.94Å; S101-S104 PolarHBondContact O-OG 2.86Å; S101-S104 VanDerWaalsContact O-OG 3.09Å; S101-T105 PolarHBondContact O-N 3.48Å; S101-T105 PolarHBondContact O-OG1 2.96Å
102F92.4Very high80.8Confident29 Ų2977.9 Ų77.913%0.12740%0.402CS..Hα-helixtrans-65.6-46179.4-175.3-101.4000112.5L82 P98 I99 S104 T105 K114 V116L82-F102 HydrophobicContact CB-CD1 3.67Å; L82-F102 HydrophobicContact CB-CD2 4.07Å; L82-F102 HydrophobicContact CB-CE1 3.59Å; L82-F102 HydrophobicContact CB-CE2 4.02Å; L82-F102 HydrophobicContact CB-CG 3.89Å; L82-F102 HydrophobicContact CB-CZ 3.78Å; L82-F102 HydrophobicContact CD2-CB 3.63Å; L82-F102 HydrophobicContact CD2-CD1 3.94Å; L82-F102 HydrophobicContact CD2-CD2 4.41Å; L82-F102 HydrophobicContact CD2-CG 3.76Å; L82-F102 HydrophobicContact CG-CD1 4.47Å; L82-F102 HydrophobicContact CG-CG 4.4Å; P98-F102 VanDerWaalsContact O-CB 3.25Å; P98-F102 WeakPolarHBondContact O-CB 3.33Å; P98-F102 PolarHBondContact O-N 3.03Å; I99-F102 PolarHBondContact O-N 2.89Å; F102-S104 PolarHBondContact O-N 2.75Å; F102-T105 PolarHBondContact O-N 3.5Å; F102-K114 HydrophobicContact CD1-CD 4.1Å; F102-K114 HydrophobicContact CE1-CB 3.72Å; F102-K114 HydrophobicContact CE1-CD 3.77Å; F102-K114 HydrophobicContact CE1-CG 4.26Å; F102-K114 HydrophobicContact CE2-CD 4.32Å; F102-K114 HydrophobicContact CZ-CB 4.16Å; F102-K114 HydrophobicContact CZ-CD 3.88Å; F102-K114 HydrophobicContact CZ-CG 4.34Å; F102-K114 WeakPolarHBondContact O-CD 3.48Å; F102-K114 PolarHBondContact O-NZ 2.73Å; F102-V116 HydrophobicContact CD1-CG2 3.64Å; F102-V116 HydrophobicContact CE1-CG2 3.9Å
103A90.9Very high80.9Confident4 Ų477 Ų773%0.03340%0.397CS..Hα-helixtrans-69.2-30.6-179.400000113.3I99 V135 F139 T143I99-A103 WeakPolarHBondContact O-CB 3.1Å; I99-A103 PolarHBondContact O-N 2.87Å; A103-V135 HydrophobicContact CB-CG1 4.37Å; A103-F139 HydrophobicContact CB-CB 4.11Å; A103-F139 HydrophobicContact CB-CD1 4.47Å; A103-F139 HydrophobicContact CB-CD2 3.89Å; A103-F139 HydrophobicContact CB-CE2 4.44Å; A103-F139 HydrophobicContact CB-CG 3.91Å; A103-F139 WeakPolarHBondContact O-CD1 3.49Å; A103-T143 HydrophobicContact CB-CG2 4.35Å
104S89.1Confident81.2Confident63 Ų6372.5 Ų72.544%0.44137%0.373SS..Hα-helixtrans-80.9-21.1-179.960.30000114.1L100 S101 F102 R106L100-S104 WeakPolarHBondContact O-CB 3.46Å; L100-S104 PolarHBondContact O-N 3.09Å; L100-S104 PolarHBondContact O-OG 2.85Å; S101-S104 PolarHBondContact O-N 2.94Å; S101-S104 PolarHBondContact O-OG 2.86Å; S101-S104 VanDerWaalsContact O-OG 3.09Å; F102-S104 PolarHBondContact O-N 2.75Å; S104-R106 PolarHBondContact O-N 2.97Å
105T85.8Confident81.7Confident80 Ų8071.8 Ų71.849%0.49137%0.368SS..SBendtrans-74.5122-179.1-60.10000110.8S101 F102 K114S101-T105 PolarHBondContact O-N 3.48Å; S101-T105 PolarHBondContact O-OG1 2.96Å; F102-T105 PolarHBondContact O-N 3.5Å; T105-K114 WeakPolarHBondContact O-CE 3.47Å; T105-K114 PolarHBondContact O-NZ 3.11Å
106R71Confident82Confident214 Ų21471.8 Ų71.881%0.80837%0.368SS*.  trans-70.5139.4176-72.4-176.8168.3177.2-3.9111.7S104 I108S104-R106 PolarHBondContact O-N 2.97Å; R106-I108 PolarHBondContact O-N 3.37Å; R106-I108 VanDerWaalsContact O-N 3.15Å
107T67.2Low82.5Confident52 Ų5264.9 Ų64.932%0.31934%0.342SS..  trans-78.392.1169.144.70000108.9M80 F109 K110 K114M80-T107 HydrophobicContact CE-CG2 4.08Å; M80-T107 HydrophobicContact SD-CG2 3.68Å; T107-F109 PolarHBondContact O-N 3.09Å; T107-F109 VanDerWaalsContact O-N 3.08Å; T107-K110 PolarHBondContact OG1-O 3.49Å; T107-K114 HydrophobicContact CG2-CG 4.18Å
108I54.3Low82.7Confident138 Ų13863.4 Ų63.471%0.70833%0.326SS*.THydrogen-bonded Turntrans-61.6-22.1-172.9-56.7175.4000112.4R106R106-I108 PolarHBondContact O-N 3.37Å; R106-I108 VanDerWaalsContact O-N 3.15Å
109F53.4Low82.9Confident192 Ų19261.9 Ų61.984%0.84232%0.315SS*.THydrogen-bonded Turntrans-137.311.7-171.9-62.9-73.8000115.9T107T107-F109 PolarHBondContact O-N 3.09Å; T107-F109 VanDerWaalsContact O-N 3.08Å
110K58.9Low83Confident62 Ų6265.6 Ų65.627%0.2733%0.333SS..  trans-131.6122.2-174.1-63.3-176-174.9-176.70112.2E76 S79 M80 T107 G112E76-K110 HydrophobicContact CG-CD 4.5Å; E76-K110 WeakPolarHBondContact OE1-CD 3.16Å; E76-K110 WeakPolarHBondContact OE1-CE 3.46Å; E76-K110 IonicContact OE1-NZ 3.12Å; E76-K110 PolarHBondContact OE1-NZ 2.94Å; E76-K110 VanDerWaalsContact OE1-NZ 3.12Å; S79-K110 PolarHBondContact OG-NZ 2.76Å; S79-K110 VanDerWaalsContact OG-NZ 3.11Å; M80-K110 HydrophobicContact CG-CD 4.35Å; M80-K110 HydrophobicContact SD-CB 4.49Å; M80-K110 HydrophobicContact SD-CD 3.99Å; T107-K110 PolarHBondContact OG1-O 3.49Å; K110-G112 PolarHBondContact O-N 2.98Å
111K64.1Low83.1Confident223 Ų22362.9 Ų62.997%0.9732%0.318SS*.  trans-65.2125.5165.6-79.2-175.2173.3-176.90108.4
112G76.9Confident83.2Confident47 Ų4760.3 Ų60.349%0.48530%0.299SS..SBendtrans137.3166.5175.700000113K110K110-G112 PolarHBondContact O-N 2.98Å
113F87.9Confident83.2Confident21 Ų2160.6 Ų60.69%0.09231%0.307CS..  trans-86.6160170.853.1-95000110.5L47 L71 Y72 M80 N142 R144L47-F113 HydrophobicContact CB-CE1 4.25Å; L47-F113 HydrophobicContact CB-CZ 3.81Å; L47-F113 HydrophobicContact CD2-CE2 3.8Å; L47-F113 HydrophobicContact CD2-CZ 3.65Å; L47-F113 HydrophobicContact CG-CZ 4.37Å; L71-F113 HydrophobicContact CD1-CE2 4.4Å; L71-F113 HydrophobicContact CD1-CZ 4.31Å; L71-F113 HydrophobicContact CD2-CZ 4.46Å; Y72-F113 WeakPolarHBondContact OH-CD2 3.44Å; Y72-F113 WeakPolarHBondContact OH-CE2 3.42Å; Y72-F113 PolarHBondContact OH-O 3.41Å; M80-F113 WeakPolarHBondContact CE-O 3.44Å; F113-N142 CarbonylContact C-O 3.5Å; F113-N142 VanDerWaalsContact CA-O 3.29Å; F113-N142 WeakPolarHBondContact CA-O 3.32Å; F113-R144 HydrophobicContact CB-CG 4.15Å; F113-R144 HydrophobicContact CD1-CG 4.17Å; F113-R144 HydrophobicContact CD2-CB 3.75Å; F113-R144 HydrophobicContact CD2-CG 3.32Å; F113-R144 HydrophobicContact CE1-CG 4.45Å; F113-R144 HydrophobicContact CE2-CB 3.97Å; F113-R144 HydrophobicContact CE2-CG 3.64Å; F113-R144 HydrophobicContact CG-CB 4.48Å; F113-R144 HydrophobicContact CG-CG 3.61Å; F113-R144 HydrophobicContact CZ-CG 4.21Å
114K92.5Very high83.3Confident13 Ų1361.1 Ų61.16%0.05731%0.309CS..EExtended strand (participates in β ladder)trans-84.1155.3165.2-65.5-174.5-179.7-171.20110.6M80 F102 T105 T107 N142 T143 R144M80-K114 HydrophobicContact CE-CG 4.41Å; M80-K114 CarbonylContact O-C 3.56Å; M80-K114 WeakPolarHBondContact O-CA 3.37Å; F102-K114 HydrophobicContact CD1-CD 4.1Å; F102-K114 HydrophobicContact CE1-CB 3.72Å; F102-K114 HydrophobicContact CE1-CD 3.77Å; F102-K114 HydrophobicContact CE1-CG 4.26Å; F102-K114 HydrophobicContact CE2-CD 4.32Å; F102-K114 HydrophobicContact CZ-CB 4.16Å; F102-K114 HydrophobicContact CZ-CD 3.88Å; F102-K114 HydrophobicContact CZ-CG 4.34Å; F102-K114 WeakPolarHBondContact O-CD 3.48Å; F102-K114 PolarHBondContact O-NZ 2.73Å; T105-K114 WeakPolarHBondContact O-CE 3.47Å; T105-K114 PolarHBondContact O-NZ 3.11Å; T107-K114 HydrophobicContact CG2-CG 4.18Å; K114-N142 PolarHBondContact N-O 3.27Å; K114-T143 HydrophobicContact CB-CG2 4.25Å; K114-T143 CarbonylContact O-C 3.55Å; K114-T143 WeakPolarHBondContact O-CA 3.37Å; K114-R144 PolarHBondContact O-N 3.17Å
115L94.6Very high83.5Confident1 Ų161.3 Ų61.31%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-117.9123.4175.8-178.362.9000110.6I64 A68 Y72 M80 V81 L82 I117 R144I64-L115 HydrophobicContact CD1-CD2 4.24Å; I64-L115 HydrophobicContact CG1-CD2 4.34Å; A68-L115 HydrophobicContact CB-CD2 3.75Å; Y72-L115 HydrophobicContact CE2-CB 3.98Å; Y72-L115 HydrophobicContact CE2-CD2 4.43Å; M80-L115 PolarHBondContact O-N 2.97Å; V81-L115 CarbonylContact C-O 3.59Å; V81-L115 VanDerWaalsContact CA-O 3.27Å; V81-L115 WeakPolarHBondContact CA-O 3.29Å; V81-L115 HydrophobicContact CG2-CB 4.46Å; L82-L115 PolarHBondContact N-O 2.84Å; L115-I117 HydrophobicContact CD2-CD1 4.12Å; L115-I117 HydrophobicContact CD2-CG1 4.14Å; L115-I117 HydrophobicContact CG-CG1 4.02Å; L115-R144 CarbonylContact C-O 3.52Å; L115-R144 WeakPolarHBondContact CA-O 3.32Å; L115-R144 HydrophobicContact CD1-CB 4.22Å
116V96Very high83.9Confident0 Ų064.2 Ų64.20%032%0.315CS..EExtended strand (participates in β ladder)trans-105.4123.1169.8178.70000108.4L82 I99 F102 L118 T143 R144 F145 C146L82-V116 HydrophobicContact CB-CG2 4.41Å; L82-V116 HydrophobicContact CD2-CG2 4.49Å; L82-V116 CarbonylContact O-C 3.5Å; L82-V116 WeakPolarHBondContact O-CA 3.49Å; I99-V116 HydrophobicContact CG2-CG1 4.46Å; F102-V116 HydrophobicContact CD1-CG2 3.64Å; F102-V116 HydrophobicContact CE1-CG2 3.9Å; V116-L118 HydrophobicContact CG1-CD1 4.36Å; V116-L118 HydrophobicContact CG1-CG 4.11Å; V116-T143 HydrophobicContact CG2-CG2 3.73Å; V116-R144 PolarHBondContact N-O 2.68Å; V116-F145 HydrophobicContact CB-CD1 3.68Å; V116-F145 HydrophobicContact CB-CE1 3.78Å; V116-F145 HydrophobicContact CB-CG 4.3Å; V116-F145 HydrophobicContact CB-CZ 4.47Å; V116-F145 HydrophobicContact CG1-CD1 3.86Å; V116-F145 HydrophobicContact CG1-CE1 3.87Å; V116-F145 HydrophobicContact CG2-CD1 4.35Å; V116-F145 HydrophobicContact CG2-CE1 3.98Å; V116-F145 HydrophobicContact CG2-CZ 4.28Å; V116-F145 CarbonylContact O-C 3.59Å; V116-F145 VanDerWaalsContact O-CA 3.32Å; V116-F145 WeakPolarHBondContact O-CA 3.43Å; V116-C146 PolarHBondContact O-N 3.27Å
117I97.1Very high85Confident0 Ų059.3 Ų59.30%031%0.305CS..EExtended strand (participates in β ladder)trans-108.9120176.2-56171.2000107.4I64 L65 V81 L82 L84 L115 C146 I148I64-I117 HydrophobicContact CB-CD1 4.49Å; I64-I117 HydrophobicContact CG1-CD1 3.8Å; I64-I117 HydrophobicContact CG1-CG1 3.92Å; I64-I117 HydrophobicContact CG2-CD1 4.01Å; I64-I117 HydrophobicContact CG2-CG1 4.41Å; I64-I117 HydrophobicContact CG2-CG2 3.85Å; L65-I117 HydrophobicContact CD2-CD1 3.9Å; V81-I117 HydrophobicContact CG1-CD1 3.84Å; V81-I117 HydrophobicContact CG1-CG1 4.41Å; L82-I117 PolarHBondContact O-N 3.28Å; L84-I117 PolarHBondContact N-O 3.44Å; L115-I117 HydrophobicContact CD2-CD1 4.12Å; L115-I117 HydrophobicContact CD2-CG1 4.14Å; L115-I117 HydrophobicContact CG-CG1 4.02Å; I117-C146 WeakPolarHBondContact CA-O 3.28Å; I117-C146 HydrophobicContact CG1-CB 4.48Å; I117-I148 HydrophobicContact CG2-CD1 3.97Å
118L95.7Very high86.3Confident1 Ų156.8 Ų56.81%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-113.3102177-72162.8000108.6L84 I99 V116 L132 F145 C146 L147 I148L84-L118 HydrophobicContact CB-CD2 3.87Å; L84-L118 HydrophobicContact CD1-CD2 4.16Å; L84-L118 WeakPolarHBondContact O-CA 3.29Å; I99-L118 HydrophobicContact CD1-CD1 4.02Å; I99-L118 HydrophobicContact CD1-CD2 3.6Å; I99-L118 HydrophobicContact CD1-CG 4.35Å; V116-L118 HydrophobicContact CG1-CD1 4.36Å; V116-L118 HydrophobicContact CG1-CG 4.11Å; L118-L132 HydrophobicContact CD1-CD1 3.83Å; L118-L132 HydrophobicContact CD1-CD2 3.54Å; L118-L132 HydrophobicContact CD1-CG 4.34Å; L118-F145 HydrophobicContact CD1-CD1 4.48Å; L118-C146 PolarHBondContact N-O 3.05Å; L118-L147 HydrophobicContact CB-CD2 3.98Å; L118-L147 HydrophobicContact CD1-CD2 3.55Å; L118-L147 HydrophobicContact CG-CD2 4.33Å; L118-I148 PolarHBondContact O-N 2.9Å
119D95.1Very high88.3Confident28 Ų2850.4 Ų50.415%0.1526%0.257CS..EExtended strand (participates in β ladder)trans-79.9150.9173.4-145.8-13.9000111.1T61 L84 A86 A121 I148T61-D119 WeakPolarHBondContact CB-OD2 3.15Å; T61-D119 WeakPolarHBondContact CG2-OD2 3.32Å; T61-D119 PolarHBondContact OG1-OD2 2.97Å; L84-D119 PolarHBondContact O-N 2.97Å; A86-D119 VanDerWaalsContact CB-O 3.28Å; A86-D119 WeakPolarHBondContact CB-O 3.36Å; A86-D119 PolarHBondContact N-O 3.19Å; D119-A121 VanDerWaalsContact C-N 3.25Å; D119-A121 PolarHBondContact O-N 3.38Å; D119-I148 HydrophobicContact CB-CD1 4.47Å; D119-I148 WeakPolarHBondContact OD1-CB 3.22Å; D119-I148 VanDerWaalsContact OD1-CG2 3.3Å; D119-I148 WeakPolarHBondContact OD1-CG2 3.39Å
120E93.9Very high90.3Very high78 Ų7844.3 Ų44.336%0.36423%0.233SC..THydrogen-bonded Turntrans50.640.5-177.1-53.2-164.2177.600114.1S87 D122 A123 I148S87-E120 WeakPolarHBondContact CB-OE2 3.28Å; E120-D122 PolarHBondContact O-N 3.1Å; E120-A123 VanDerWaalsContact O-CB 3.25Å; E120-A123 WeakPolarHBondContact O-CB 3.37Å; E120-A123 PolarHBondContact O-N 3.35Å; E120-I148 PolarHBondContact N-O 2.79Å
121A95.3Very high92.1Very high2 Ų241.6 Ų41.62%0.01722%0.222CC..G310 helixtrans-59.5-18.6-178.600000113.7D119 A123 M124 L147 I148 I155D119-A121 VanDerWaalsContact C-N 3.25Å; D119-A121 PolarHBondContact O-N 3.38Å; A121-A123 PolarHBondContact O-N 3.05Å; A121-M124 WeakPolarHBondContact O-CB 3.19Å; A121-M124 WeakPolarHBondContact O-CG 3.38Å; A121-M124 PolarHBondContact O-N 3.38Å; A121-L147 HydrophobicContact CB-CB 4.28Å; A121-I148 WeakPolarHBondContact CB-O 3.12Å; A121-I148 PolarHBondContact N-O 2.79Å; A121-I155 HydrophobicContact CB-CD1 4.01Å
122D94.6Very high93.6Very high19 Ų1931 Ų3110%0.10218%0.176CC..G310 helixtrans-74.4-8.5172.152.2-25.2000114.4E120 C149 N150 Y151 K154 I155E120-D122 PolarHBondContact O-N 3.1Å; D122-C149 HydrophobicContact CB-CB 3.75Å; D122-C149 WeakPolarHBondContact OD1-CA 3.49Å; D122-C149 WeakPolarHBondContact OD1-CB 3.45Å; D122-N150 PolarHBondContact OD1-N 3.22Å; D122-N150 PolarHBondContact OD2-N 3.48Å; D122-Y151 WeakPolarHBondContact OD2-CD2 3.2Å; D122-Y151 PolarHBondContact OD2-N 2.97Å; D122-K154 HydrophobicContact CB-CB 3.65Å; D122-K154 HydrophobicContact CB-CD 4.03Å; D122-K154 HydrophobicContact CB-CG 4.45Å; D122-I155 HydrophobicContact CB-CD1 4.2Å
123A93.1Very high94.5Very high35 Ų3532.8 Ų32.829%0.28917%0.168SC..G310 helixtrans-82.9-14.7168.900000113R90 E120 A121R90-A123 WeakPolarHBondContact CD-O 3.41Å; R90-A123 HydrophobicContact CG-CB 4.45Å; R90-A123 WeakPolarHBondContact CG-O 3.21Å; E120-A123 VanDerWaalsContact O-CB 3.25Å; E120-A123 WeakPolarHBondContact O-CB 3.37Å; E120-A123 PolarHBondContact O-N 3.35Å; A121-A123 PolarHBondContact O-N 3.05Å
124M92.9Very high94.9Very high15 Ų1538.7 Ų38.77%0.07419%0.19CC..SBendtrans-69.3140.9-179.9-64.1-178.473.400112.3A86 V95 A121 A128 Q129 L132A86-M124 HydrophobicContact CB-CG 3.55Å; A86-M124 HydrophobicContact CB-SD 4.14Å; V95-M124 HydrophobicContact CG2-CE 3.53Å; A121-M124 WeakPolarHBondContact O-CB 3.19Å; A121-M124 WeakPolarHBondContact O-CG 3.38Å; A121-M124 PolarHBondContact O-N 3.38Å; M124-A128 HydrophobicContact CB-CB 4.42Å; M124-A128 HydrophobicContact CE-CB 3.67Å; M124-Q129 HydrophobicContact CB-CG 3.83Å; M124-Q129 PolarHBondContact O-NE2 2.98Å; M124-L132 HydrophobicContact CE-CD2 4.3Å; M124-L132 HydrophobicContact SD-CD2 4.24Å
125T93.8Very high95Very high67 Ų6738.8 Ų38.841%0.41119%0.191SC..  trans-60.9153.316959.20000112R90 D127 A128 Q129R90-T125 PolarHBondContact O-N 2.96Å; R90-T125 PolarHBondContact O-OG1 3.3Å; T125-D127 PolarHBondContact O-N 3.28Å; T125-A128 PolarHBondContact O-N 2.91Å; T125-A128 VanDerWaalsContact O-N 3.16Å; T125-A128 VanDerWaalsContact OG1-CB 3.31Å; T125-A128 WeakPolarHBondContact OG1-CB 3.44Å; T125-A128 PolarHBondContact OG1-N 2.9Å; T125-Q129 WeakPolarHBondContact O-CG 3.28Å; T125-Q129 PolarHBondContact O-N 3.21Å
126Q93.3Very high95.1Very high141 Ų14138.8 Ų38.866%0.65919%0.192SC*.Hα-helixtrans-59.3-36.2178.2-67.6-173.41200112.1Q129 N130Q126-Q129 PolarHBondContact O-N 3.11Å; Q126-N130 WeakPolarHBondContact O-CB 3.27Å; Q126-N130 PolarHBondContact O-N 3.49Å; Q126-N130 PolarHBondContact O-ND2 2.82Å; Q126-N130 VanDerWaalsContact O-ND2 3.12Å
127D94.4Very high95Very high110 Ų11042.6 Ų42.659%0.58821%0.209SC*.Hα-helixtrans-65.4-41.9176.8-68.6-26.6000112.5I92 T125 N130 A131I92-D127 HydrophobicContact CD1-CB 4.49Å; T125-D127 PolarHBondContact O-N 3.28Å; D127-N130 PolarHBondContact O-N 2.68Å; D127-A131 WeakPolarHBondContact O-CB 3.31Å; D127-A131 PolarHBondContact O-N 3.42Å
128A94.6Very high94.9Very high0 Ų050.2 Ų50.20%024%0.242CC..Hα-helixtrans-63-42.7173.500000111I92 V95 M124 T125 N130 A131 L132I92-A128 HydrophobicContact CB-CB 4.45Å; V95-A128 HydrophobicContact CG2-CB 4.25Å; M124-A128 HydrophobicContact CB-CB 4.42Å; M124-A128 HydrophobicContact CE-CB 3.67Å; T125-A128 PolarHBondContact O-N 2.91Å; T125-A128 VanDerWaalsContact O-N 3.16Å; T125-A128 VanDerWaalsContact OG1-CB 3.31Å; T125-A128 WeakPolarHBondContact OG1-CB 3.44Å; T125-A128 PolarHBondContact OG1-N 2.9Å; A128-N130 PolarHBondContact O-N 3.46Å; A128-A131 WeakPolarHBondContact O-CB 3.33Å; A128-A131 PolarHBondContact O-N 2.94Å; A128-L132 WeakPolarHBondContact O-CB 3.24Å; A128-L132 PolarHBondContact O-N 3.05Å
129Q96.4Very high94.8Very high4 Ų451.2 Ų51.22%0.01925%0.247CC..Hα-helixtrans-63.4-40.2175.6-68-172.540.400112.6M124 T125 Q126 L132 R133 K154 I156 L159M124-Q129 HydrophobicContact CB-CG 3.83Å; M124-Q129 PolarHBondContact O-NE2 2.98Å; T125-Q129 WeakPolarHBondContact O-CG 3.28Å; T125-Q129 PolarHBondContact O-N 3.21Å; Q126-Q129 PolarHBondContact O-N 3.11Å; Q129-L132 PolarHBondContact O-N 3.43Å; Q129-R133 PolarHBondContact O-N 3.5Å; Q129-K154 PolarHBondContact NE2-O 3.25Å; Q129-I156 HydrophobicContact CB-CD1 3.85Å; Q129-I156 HydrophobicContact CB-CG1 4.03Å; Q129-I156 HydrophobicContact CB-CG2 4.26Å; Q129-L159 HydrophobicContact CB-CD1 3.72Å; Q129-L159 HydrophobicContact CG-CD1 4.04Å
130N95.9Very high94.6Very high64 Ų6452.4 Ų52.434%0.34226%0.255SS..Hα-helixtrans-66-36.6174.7-79.6-44.1000112.3Q126 D127 A128 I156Q126-N130 WeakPolarHBondContact O-CB 3.27Å; Q126-N130 PolarHBondContact O-N 3.49Å; Q126-N130 PolarHBondContact O-ND2 2.82Å; Q126-N130 VanDerWaalsContact O-ND2 3.12Å; D127-N130 PolarHBondContact O-N 2.68Å; A128-N130 PolarHBondContact O-N 3.46Å; N130-I156 VanDerWaalsContact OD1-CD1 3.25Å; N130-I156 WeakPolarHBondContact OD1-CD1 3.06Å
131A95.2Very high94.3Very high5 Ų556.8 Ų56.84%0.04128%0.276CS..Hα-helixtrans-64.5-45170.400000111.2I92 V95 D127 A128 R133 R134 V135I92-A131 HydrophobicContact CD1-CB 3.87Å; I92-A131 HydrophobicContact CG1-CB 3.76Å; V95-A131 HydrophobicContact CB-CB 4.28Å; V95-A131 HydrophobicContact CG1-CB 3.87Å; D127-A131 WeakPolarHBondContact O-CB 3.31Å; D127-A131 PolarHBondContact O-N 3.42Å; A128-A131 WeakPolarHBondContact O-CB 3.33Å; A128-A131 PolarHBondContact O-N 2.94Å; A131-R133 VanDerWaalsContact C-N 3.31Å; A131-R133 PolarHBondContact O-N 2.96Å; A131-R134 WeakPolarHBondContact O-CB 3.37Å; A131-R134 PolarHBondContact O-N 3.44Å; A131-R134 VanDerWaalsContact O-N 3.11Å; A131-V135 PolarHBondContact O-N 3.41Å
132L95.9Very high94Very high0 Ų060.9 Ų60.90%030%0.297CS..Hα-helixtrans-62.3-40.4-178.517963.3000111.2V95 I99 L118 M124 A128 Q129 R134 V135 I136 F145 L147 L159V95-L132 HydrophobicContact CG1-CB 4.08Å; V95-L132 HydrophobicContact CG1-CD1 4.43Å; V95-L132 HydrophobicContact CG2-CB 4.24Å; I99-L132 HydrophobicContact CD1-CD1 4.29Å; I99-L132 HydrophobicContact CG2-CD1 4.31Å; L118-L132 HydrophobicContact CD1-CD1 3.83Å; L118-L132 HydrophobicContact CD1-CD2 3.54Å; L118-L132 HydrophobicContact CD1-CG 4.34Å; M124-L132 HydrophobicContact CE-CD2 4.3Å; M124-L132 HydrophobicContact SD-CD2 4.24Å; A128-L132 WeakPolarHBondContact O-CB 3.24Å; A128-L132 PolarHBondContact O-N 3.05Å; Q129-L132 PolarHBondContact O-N 3.43Å; L132-R134 VanDerWaalsContact C-N 3.3Å; L132-R134 PolarHBondContact O-N 2.68Å; L132-V135 WeakPolarHBondContact O-CB 3.43Å; L132-V135 PolarHBondContact O-N 2.81Å; L132-V135 VanDerWaalsContact O-N 3.08Å; L132-I136 HydrophobicContact CD1-CD1 4.36Å; L132-I136 HydrophobicContact CD1-CG1 4.37Å; L132-I136 HydrophobicContact CD2-CD1 4.48Å; L132-I136 HydrophobicContact CG-CD1 3.94Å; L132-I136 HydrophobicContact CG-CG1 4.39Å; L132-I136 WeakPolarHBondContact O-CG1 3.26Å; L132-I136 PolarHBondContact O-N 2.77Å; L132-F145 HydrophobicContact CD1-CD1 4.18Å; L132-F145 HydrophobicContact CD1-CE1 3.87Å; L132-L147 HydrophobicContact CD2-CD2 3.91Å; L132-L159 HydrophobicContact CD2-CD1 4.2Å; L132-L159 HydrophobicContact CG-CD2 4.37Å
133R96.4Very high93.9Very high85 Ų8560 Ų6032%0.32129%0.293SS..Hα-helixtrans-52.3-47.8173.4179.4-150.6158.8-176.9-10.7111.7Q129 A131 V135 I136 E137 A158 L159Q129-R133 PolarHBondContact O-N 3.5Å; A131-R133 VanDerWaalsContact C-N 3.31Å; A131-R133 PolarHBondContact O-N 2.96Å; R133-V135 VanDerWaalsContact C-N 3.3Å; R133-V135 PolarHBondContact O-N 3.24Å; R133-I136 PolarHBondContact O-N 3.43Å; R133-E137 IonicContact CZ-OE1 2.91Å; R133-E137 IonicContact NE-OE1 2.67Å; R133-E137 PolarHBondContact NE-OE1 3.25Å; R133-E137 IonicContact NE-OE2 3.06Å; R133-E137 IonicContact NH2-OE1 2.73Å; R133-E137 PolarHBondContact NH2-OE1 3.18Å; R133-E137 WeakPolarHBondContact O-CG 3.13Å; R133-E137 PolarHBondContact O-N 3.17Å; R133-A158 HydrophobicContact CG-CB 4.28Å; R133-L159 HydrophobicContact CB-CD2 3.79Å; R133-L159 HydrophobicContact CB-CG 4.4Å
134R95.5Very high94Very high145 Ų14560.9 Ų60.955%0.54729%0.288SS..Hα-helixtrans-63.7-37.3179.3-69.9-178-76.2-172.6-6.7111.8A131 L132 K138A131-R134 WeakPolarHBondContact O-CB 3.37Å; A131-R134 PolarHBondContact O-N 3.44Å; A131-R134 VanDerWaalsContact O-N 3.11Å; L132-R134 VanDerWaalsContact C-N 3.3Å; L132-R134 PolarHBondContact O-N 2.68Å; R134-K138 VanDerWaalsContact O-CB 3.28Å; R134-K138 WeakPolarHBondContact O-CB 3.21Å; R134-K138 PolarHBondContact O-N 2.95Å
135V95.5Very high94.3Very high14 Ų1460.2 Ų60.29%0.08529%0.285CS..Hα-helixtrans-66.6-46.1175.9-179.90000110.7V95 I99 L100 A103 A131 L132 R133 E137 K138 F139 F145V95-V135 HydrophobicContact CG1-CG2 3.93Å; I99-V135 HydrophobicContact CG2-CG1 4.17Å; L100-V135 HydrophobicContact CD1-CG2 4.39Å; A103-V135 HydrophobicContact CB-CG1 4.37Å; A131-V135 PolarHBondContact O-N 3.41Å; L132-V135 WeakPolarHBondContact O-CB 3.43Å; L132-V135 PolarHBondContact O-N 2.81Å; L132-V135 VanDerWaalsContact O-N 3.08Å; R133-V135 VanDerWaalsContact C-N 3.3Å; R133-V135 PolarHBondContact O-N 3.24Å; V135-E137 VanDerWaalsContact C-N 3.34Å; V135-E137 PolarHBondContact O-N 2.92Å; V135-K138 PolarHBondContact O-N 3.5Å; V135-F139 HydrophobicContact CG1-CD2 3.71Å; V135-F139 HydrophobicContact CG1-CE2 4.12Å; V135-F139 VanDerWaalsContact O-CD2 3.29Å; V135-F139 WeakPolarHBondContact O-CD2 3.45Å; V135-F139 PolarHBondContact O-N 3.01Å; V135-F145 HydrophobicContact CG1-CZ 3.93Å
136I95.8Very high94.4Very high2 Ų257 Ų571%0.0127%0.265CS..Hα-helixtrans-57.2-47.3177.2-72171.1000111.1L132 R133 T140 F145 L159 R162L132-I136 HydrophobicContact CD1-CD1 4.36Å; L132-I136 HydrophobicContact CD1-CG1 4.37Å; L132-I136 HydrophobicContact CD2-CD1 4.48Å; L132-I136 HydrophobicContact CG-CD1 3.94Å; L132-I136 HydrophobicContact CG-CG1 4.39Å; L132-I136 WeakPolarHBondContact O-CG1 3.26Å; L132-I136 PolarHBondContact O-N 2.77Å; R133-I136 PolarHBondContact O-N 3.43Å; I136-T140 PolarHBondContact O-N 3.05Å; I136-F145 HydrophobicContact CB-CD2 4.47Å; I136-F145 HydrophobicContact CD1-CB 4.33Å; I136-F145 HydrophobicContact CD1-CD1 4.38Å; I136-F145 HydrophobicContact CD1-CG 4.2Å; I136-F145 HydrophobicContact CG1-CB 4.29Å; I136-F145 HydrophobicContact CG1-CD1 3.95Å; I136-F145 HydrophobicContact CG1-CD2 3.68Å; I136-F145 HydrophobicContact CG1-CE1 4.16Å; I136-F145 HydrophobicContact CG1-CE2 3.9Å; I136-F145 HydrophobicContact CG1-CG 3.7Å; I136-F145 HydrophobicContact CG1-CZ 4.15Å; I136-L159 HydrophobicContact CD1-CD2 3.62Å; I136-R162 HydrophobicContact CG2-CB 4.44Å
137E95.3Very high94.7Very high80 Ų8050.3 Ų50.337%0.37423%0.234SC..Hα-helixtrans-61.6-45.5177.4-71.6171.2171.500111.9R133 V135 F139 R162R133-E137 IonicContact CZ-OE1 2.91Å; R133-E137 IonicContact NE-OE1 2.67Å; R133-E137 PolarHBondContact NE-OE1 3.25Å; R133-E137 IonicContact NE-OE2 3.06Å; R133-E137 IonicContact NH2-OE1 2.73Å; R133-E137 PolarHBondContact NH2-OE1 3.18Å; R133-E137 WeakPolarHBondContact O-CG 3.13Å; R133-E137 PolarHBondContact O-N 3.17Å; V135-E137 VanDerWaalsContact C-N 3.34Å; V135-E137 PolarHBondContact O-N 2.92Å; E137-F139 PolarHBondContact O-N 3.24Å; E137-R162 IonicContact OE1-CZ 3.02Å; E137-R162 IonicContact OE1-NE 3.02Å; E137-R162 PolarHBondContact OE1-NE 3.02Å; E137-R162 IonicContact OE1-NH2 3.61Å; E137-R162 PolarHBondContact OE1-NH2 3.27Å
138K94.9Very high94.8Very high159 Ų15945.1 Ų45.169%0.69121%0.206SC*.Hα-helixtrans-68.8-33.3-175.1-177173.1177.8178.30113.5R134 V135R134-K138 VanDerWaalsContact O-CB 3.28Å; R134-K138 WeakPolarHBondContact O-CB 3.21Å; R134-K138 PolarHBondContact O-N 2.95Å; V135-K138 PolarHBondContact O-N 3.5Å
139F93.6Very high94.9Very high23 Ų2345.1 Ų45.110%0.10121%0.207CC..Hα-helixtrans-114.616.9-171.4-60.2-74.6000114.1L100 A103 V135 E137 E141 N142 T143L100-F139 HydrophobicContact CD1-CE2 3.46Å; L100-F139 VanDerWaalsContact CD1-CE2 3.46Å; L100-F139 HydrophobicContact CD1-CZ 3.83Å; A103-F139 HydrophobicContact CB-CB 4.11Å; A103-F139 HydrophobicContact CB-CD1 4.47Å; A103-F139 HydrophobicContact CB-CD2 3.89Å; A103-F139 HydrophobicContact CB-CE2 4.44Å; A103-F139 HydrophobicContact CB-CG 3.91Å; A103-F139 WeakPolarHBondContact O-CD1 3.49Å; V135-F139 HydrophobicContact CG1-CD2 3.71Å; V135-F139 HydrophobicContact CG1-CE2 4.12Å; V135-F139 VanDerWaalsContact O-CD2 3.29Å; V135-F139 WeakPolarHBondContact O-CD2 3.45Å; V135-F139 PolarHBondContact O-N 3.01Å; E137-F139 PolarHBondContact O-N 3.24Å; F139-E141 PolarHBondContact O-N 2.89Å; F139-E141 VanDerWaalsContact O-N 3.15Å; F139-N142 PolarHBondContact O-N 3.45Å; F139-N142 VanDerWaalsContact O-N 3.09Å; F139-T143 PolarHBondContact O-N 2.86Å
140T91.1Very high94.9Very high53 Ų5347.3 Ų47.333%0.32522%0.218SC..THydrogen-bonded Turntrans-58-29.6-176.9-164.40000113.9H49 I136 N142 R144H49-T140 PolarHBondContact NE2-OG1 3.11Å; I136-T140 PolarHBondContact O-N 3.05Å; T140-N142 VanDerWaalsContact C-N 3.34Å; T140-N142 PolarHBondContact O-N 3.41Å; T140-R144 VanDerWaalsContact O-CZ 3.3Å; T140-R144 PolarHBondContact O-NH1 2.94Å; T140-R144 PolarHBondContact OG1-NH1 3.11Å
141E87.7Confident94.9Very high169 Ų16950.9 Ų50.979%0.7923%0.228SC*.THydrogen-bonded Turntrans-68.6-33179.3-65.1-177.4168.200112.7F139F139-E141 PolarHBondContact O-N 2.89Å; F139-E141 VanDerWaalsContact O-N 3.15Å
142N88.1Confident95Very high89 Ų8952.1 Ų52.148%0.47623%0.234SC..THydrogen-bonded Turntrans-114.2-17-170.5-61.6-47.5000113.4F113 K114 F139 T140F113-N142 CarbonylContact C-O 3.5Å; F113-N142 VanDerWaalsContact CA-O 3.29Å; F113-N142 WeakPolarHBondContact CA-O 3.32Å; K114-N142 PolarHBondContact N-O 3.27Å; F139-N142 PolarHBondContact O-N 3.45Å; F139-N142 VanDerWaalsContact O-N 3.09Å; T140-N142 VanDerWaalsContact C-N 3.34Å; T140-N142 PolarHBondContact O-N 3.41Å
143T93.3Very high95Very high0 Ų057.3 Ų57.30%027%0.27CS..EExtended strand (participates in β ladder)trans-136.3130.6-173.8-55.90000111.1H49 A103 K114 V116 F139 F145H49-T143 PolarHBondContact CE1-O 2.92Å; H49-T143 VanDerWaalsContact CE1-O 3.25Å; A103-T143 HydrophobicContact CB-CG2 4.35Å; K114-T143 HydrophobicContact CB-CG2 4.25Å; K114-T143 CarbonylContact O-C 3.55Å; K114-T143 WeakPolarHBondContact O-CA 3.37Å; V116-T143 HydrophobicContact CG2-CG2 3.73Å; F139-T143 PolarHBondContact O-N 2.86Å; T143-F145 HydrophobicContact CG2-CD2 4.06Å; T143-F145 HydrophobicContact CG2-CE2 3.56Å; T143-F145 HydrophobicContact CG2-CZ 3.95Å
144R95.5Very high95Very high53 Ų5359 Ų5920%0.228%0.279CS..EExtended strand (participates in β ladder)trans-100.4149168.2-59.6-55.7179.7-160.9-2.5109.9L47 F113 K114 L115 V116 T140L47-R144 WeakPolarHBondContact O-CD 3.29Å; L47-R144 PolarHBondContact O-NE 3.27Å; F113-R144 HydrophobicContact CB-CG 4.15Å; F113-R144 HydrophobicContact CD1-CG 4.17Å; F113-R144 HydrophobicContact CD2-CB 3.75Å; F113-R144 HydrophobicContact CD2-CG 3.32Å; F113-R144 HydrophobicContact CE1-CG 4.45Å; F113-R144 HydrophobicContact CE2-CB 3.97Å; F113-R144 HydrophobicContact CE2-CG 3.64Å; F113-R144 HydrophobicContact CG-CB 4.48Å; F113-R144 HydrophobicContact CG-CG 3.61Å; F113-R144 HydrophobicContact CZ-CG 4.21Å; K114-R144 PolarHBondContact O-N 3.17Å; L115-R144 CarbonylContact C-O 3.52Å; L115-R144 WeakPolarHBondContact CA-O 3.32Å; L115-R144 HydrophobicContact CD1-CB 4.22Å; V116-R144 PolarHBondContact N-O 2.68Å; T140-R144 VanDerWaalsContact O-CZ 3.3Å; T140-R144 PolarHBondContact O-NH1 2.94Å; T140-R144 PolarHBondContact OG1-NH1 3.11Å
145F97.3Very high95.1Very high1 Ų152.2 Ų52.20%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-123.1137.1-177.1-73.3-101.7000108H49 L50 I99 V116 L118 L132 V135 I136 T143H49-F145 CarbonylContact C-O 3.53Å; H49-F145 VanDerWaalsContact CA-O 3.28Å; H49-F145 WeakPolarHBondContact CA-O 3.29Å; H49-F145 AromaticContact CE1-CD2 3.72Å; H49-F145 AromaticContact ND1-CD2 3.57Å; H49-F145 PolarHBondContact ND1-N 3.49Å; H49-F145 VanDerWaalsContact ND1-N 3.18Å; L50-F145 PolarHBondContact N-O 3.11Å; I99-F145 HydrophobicContact CG2-CE1 3.76Å; I99-F145 HydrophobicContact CG2-CZ 4.22Å; V116-F145 HydrophobicContact CB-CD1 3.68Å; V116-F145 HydrophobicContact CB-CE1 3.78Å; V116-F145 HydrophobicContact CB-CG 4.3Å; V116-F145 HydrophobicContact CB-CZ 4.47Å; V116-F145 HydrophobicContact CG1-CD1 3.86Å; V116-F145 HydrophobicContact CG1-CE1 3.87Å; V116-F145 HydrophobicContact CG2-CD1 4.35Å; V116-F145 HydrophobicContact CG2-CE1 3.98Å; V116-F145 HydrophobicContact CG2-CZ 4.28Å; V116-F145 CarbonylContact O-C 3.59Å; V116-F145 VanDerWaalsContact O-CA 3.32Å; V116-F145 WeakPolarHBondContact O-CA 3.43Å; L118-F145 HydrophobicContact CD1-CD1 4.48Å; L132-F145 HydrophobicContact CD1-CD1 4.18Å; L132-F145 HydrophobicContact CD1-CE1 3.87Å; V135-F145 HydrophobicContact CG1-CZ 3.93Å; I136-F145 HydrophobicContact CB-CD2 4.47Å; I136-F145 HydrophobicContact CD1-CB 4.33Å; I136-F145 HydrophobicContact CD1-CD1 4.38Å; I136-F145 HydrophobicContact CD1-CG 4.2Å; I136-F145 HydrophobicContact CG1-CB 4.29Å; I136-F145 HydrophobicContact CG1-CD1 3.95Å; I136-F145 HydrophobicContact CG1-CD2 3.68Å; I136-F145 HydrophobicContact CG1-CE1 4.16Å; I136-F145 HydrophobicContact CG1-CE2 3.9Å; I136-F145 HydrophobicContact CG1-CG 3.7Å; I136-F145 HydrophobicContact CG1-CZ 4.15Å; T143-F145 HydrophobicContact CG2-CD2 4.06Å; T143-F145 HydrophobicContact CG2-CE2 3.56Å; T143-F145 HydrophobicContact CG2-CZ 3.95Å
146C97.9Very high95.2Very high0 Ų052.5 Ų52.50%026%0.255CS..EExtended strand (participates in β ladder)trans-119.8112.2167.3-176.40000108.2L50 I64 V116 I117 L118L50-C146 HydrophobicContact CB-CB 4.16Å; L50-C146 CarbonylContact O-C 3.57Å; L50-C146 WeakPolarHBondContact O-CA 3.29Å; I64-C146 HydrophobicContact CD1-CB 3.86Å; I64-C146 HydrophobicContact CG1-CB 3.73Å; V116-C146 PolarHBondContact O-N 3.27Å; I117-C146 WeakPolarHBondContact CA-O 3.28Å; I117-C146 HydrophobicContact CG1-CB 4.48Å; L118-C146 PolarHBondContact N-O 3.05Å
147L98.1Very high95.2Very high1 Ų157.2 Ų57.21%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-94.3128.5175.2-49.8-175.7000108.5L50 L51 F52 L118 A121 L132 L159L50-L147 PolarHBondContact O-N 3.06Å; L51-L147 CarbonylContact C-O 3.5Å; L51-L147 VanDerWaalsContact CA-O 3.3Å; L51-L147 WeakPolarHBondContact CA-O 3.42Å; L51-L147 HydrophobicContact CG-CB 4.38Å; F52-L147 PolarHBondContact N-O 2.66Å; L118-L147 HydrophobicContact CB-CD2 3.98Å; L118-L147 HydrophobicContact CD1-CD2 3.55Å; L118-L147 HydrophobicContact CG-CD2 4.33Å; A121-L147 HydrophobicContact CB-CB 4.28Å; L132-L147 HydrophobicContact CD2-CD2 3.91Å; L147-L159 HydrophobicContact CD1-CB 4.31Å; L147-L159 HydrophobicContact CD1-CD1 4.2Å
148I97.9Very high95.3Very high0 Ų054.5 Ų54.50%028%0.277CS..EExtended strand (participates in β ladder)trans-113.8132.3175.5-52.4170000108.2F52 K60 T61 I64 I117 L118 D119 E120 A121F52-I148 HydrophobicContact CB-CG1 4.32Å; F52-I148 CarbonylContact O-C 3.48Å; F52-I148 VanDerWaalsContact O-CA 3.32Å; F52-I148 WeakPolarHBondContact O-CA 3.35Å; K60-I148 HydrophobicContact CB-CG2 3.62Å; K60-I148 HydrophobicContact CD-CG2 3.83Å; K60-I148 VanDerWaalsContact CE-CG2 3.43Å; K60-I148 HydrophobicContact CG-CG2 4.34Å; T61-I148 HydrophobicContact CG2-CD1 4.26Å; I64-I148 HydrophobicContact CG2-CD1 3.86Å; I117-I148 HydrophobicContact CG2-CD1 3.97Å; L118-I148 PolarHBondContact O-N 2.9Å; D119-I148 HydrophobicContact CB-CD1 4.47Å; D119-I148 WeakPolarHBondContact OD1-CB 3.22Å; D119-I148 VanDerWaalsContact OD1-CG2 3.3Å; D119-I148 WeakPolarHBondContact OD1-CG2 3.39Å; E120-I148 PolarHBondContact N-O 2.79Å; A121-I148 WeakPolarHBondContact CB-O 3.12Å; A121-I148 PolarHBondContact N-O 2.79Å
149C96.9Very high95.4Very high1 Ų147 Ų471%0.00724%0.244CC..EExtended strand (participates in β ladder)trans-146.2164.1175.763.30000112.1F52 Y53 G54 K60 D122 I155F52-C149 PolarHBondContact O-N 2.76Å; Y53-C149 VanDerWaalsContact CA-O 3.28Å; Y53-C149 WeakPolarHBondContact CA-O 3.38Å; G54-C149 PolarHBondContact N-O 2.79Å; K60-C149 WeakPolarHBondContact CE-O 3.44Å; D122-C149 HydrophobicContact CB-CB 3.75Å; D122-C149 WeakPolarHBondContact OD1-CA 3.49Å; D122-C149 WeakPolarHBondContact OD1-CB 3.45Å; C149-I155 HydrophobicContact CB-CD1 4.11Å; C149-I155 HydrophobicContact CB-CG1 4.2Å
150N96.3Very high95.6Very high49 Ų4947.6 Ų47.626%0.26225%0.248SC..SBendtrans-89.7-39.4170.1-65.6-41000110.8G54 K60 D122G54-N150 WeakPolarHBondContact O-CA 3.27Å; G54-N150 PolarHBondContact O-OD1 2.84Å; K60-N150 PolarHBondContact NZ-OD1 2.82Å; D122-N150 PolarHBondContact OD1-N 3.22Å; D122-N150 PolarHBondContact OD2-N 3.48Å
151Y94.9Very high95.9Very high139 Ų13949.4 Ų49.455%0.54526%0.263SS..  trans-116.1107.1-176.8-56.2-79.3000111.9D122 S153 K154D122-Y151 WeakPolarHBondContact OD2-CD2 3.2Å; D122-Y151 PolarHBondContact OD2-N 2.97Å; Y151-S153 PolarHBondContact O-N 2.89Å; Y151-K154 HydrophobicContact CD2-CD 4.35Å; Y151-K154 PolarHBondContact O-N 3.02Å; Y151-K154 VanDerWaalsContact O-N 3.1Å
152L96.3Very high96.3Very high31 Ų3145.1 Ų45.116%0.16224%0.239CC..G310 helixtrans-58-33.8176-177.963.7000112.5L51 Y53 K154 I155 Q160L51-L152 HydrophobicContact CD1-CD1 3.97Å; L51-L152 HydrophobicContact CD2-CD1 3.58Å; L51-L152 HydrophobicContact CG-CD1 4.47Å; Y53-L152 HydrophobicContact CD2-CB 3.89Å; Y53-L152 HydrophobicContact CD2-CD2 4.38Å; Y53-L152 HydrophobicContact CE1-CD2 4.37Å; Y53-L152 HydrophobicContact CE2-CB 4.34Å; Y53-L152 HydrophobicContact CE2-CD2 4.11Å; Y53-L152 HydrophobicContact CG-CB 4.16Å; L152-K154 PolarHBondContact O-N 2.91Å; L152-I155 PolarHBondContact O-N 3.35Å; L152-Q160 HydrophobicContact CD1-CG 3.86Å; L152-Q160 PolarHBondContact O-NE2 3.28Å
153S96.4Very high96.7Very high109 Ų10941.4 Ų41.476%0.76222%0.22SC*.G310 helixtrans-62.2-20.6179.154.40000114.2Y151Y151-S153 PolarHBondContact O-N 2.89Å
154K96.1Very high96.9Very high120 Ų12043.9 Ų43.952%0.52224%0.235SC..G310 helixtrans-86.6-7176.3-68.5-173.9175.7-177.70113.4D122 Q129 Y151 L152D122-K154 HydrophobicContact CB-CB 3.65Å; D122-K154 HydrophobicContact CB-CD 4.03Å; D122-K154 HydrophobicContact CB-CG 4.45Å; Q129-K154 PolarHBondContact NE2-O 3.25Å; Y151-K154 HydrophobicContact CD2-CD 4.35Å; Y151-K154 PolarHBondContact O-N 3.02Å; Y151-K154 VanDerWaalsContact O-N 3.1Å; L152-K154 PolarHBondContact O-N 2.91Å
155I97.8Very high97Very high3 Ų348 Ų482%0.01525%0.251CS..SBendtrans-93.6128.7174.8-54.3-57.4000109.3L51 A121 D122 C149 L152 L159 Q160L51-I155 HydrophobicContact CD1-CG2 4.09Å; A121-I155 HydrophobicContact CB-CD1 4.01Å; D122-I155 HydrophobicContact CB-CD1 4.2Å; C149-I155 HydrophobicContact CB-CD1 4.11Å; C149-I155 HydrophobicContact CB-CG1 4.2Å; L152-I155 PolarHBondContact O-N 3.35Å; I155-L159 HydrophobicContact CG2-CB 3.78Å; I155-L159 HydrophobicContact CG2-CD1 4.24Å; I155-Q160 HydrophobicContact CB-CG 4.24Å; I155-Q160 HydrophobicContact CG2-CG 3.97Å; I155-Q160 PolarHBondContact O-NE2 3.17Å
156I97.5Very high97Very high20 Ų2048.9 Ų48.910%0.10325%0.254CS..  trans-59.5141.7-178.963.7174.2000111.1Q129 N130 A158 L159 Q160Q129-I156 HydrophobicContact CB-CD1 3.85Å; Q129-I156 HydrophobicContact CB-CG1 4.03Å; Q129-I156 HydrophobicContact CB-CG2 4.26Å; N130-I156 VanDerWaalsContact OD1-CD1 3.25Å; N130-I156 WeakPolarHBondContact OD1-CD1 3.06Å; I156-A158 HydrophobicContact CD1-CB 4.25Å; I156-A158 HydrophobicContact CG1-CB 4.44Å; I156-A158 PolarHBondContact O-N 3.18Å; I156-L159 HydrophobicContact CD1-CD1 4.38Å; I156-L159 HydrophobicContact CD1-CG 4.06Å; I156-L159 HydrophobicContact CG1-CB 4.03Å; I156-L159 HydrophobicContact CG1-CD1 3.98Å; I156-L159 HydrophobicContact CG1-CG 3.73Å; I156-L159 PolarHBondContact O-N 2.75Å; I156-Q160 PolarHBondContact O-N 3.09Å
157P97.6Very high96.9Very high102 Ų10257.1 Ų57.166%0.66229%0.285SS*.Hα-helixtrans-54.3-30.9-179.1-2935.5000114L159 Q160 S161P157-L159 PolarHBondContact O-N 3.4Å; P157-Q160 PolarHBondContact O-N 3.05Å; P157-S161 PolarHBondContact O-N 2.98Å; P157-S161 PolarHBondContact O-OG 2.83Å
158A96.6Very high96.8Very high22 Ų2257 Ų5718%0.18229%0.285CS..Hα-helixtrans-66.6-32.7178.500000113.5R133 I156 S161 R162R133-A158 HydrophobicContact CG-CB 4.28Å; I156-A158 HydrophobicContact CD1-CB 4.25Å; I156-A158 HydrophobicContact CG1-CB 4.44Å; I156-A158 PolarHBondContact O-N 3.18Å; A158-S161 PolarHBondContact O-OG 3.32Å; A158-R162 WeakPolarHBondContact O-CD 3.36Å; A158-R162 PolarHBondContact O-NH1 3.42Å
159L97.3Very high96.7Very high2 Ų258 Ų581%0.0130%0.296CS..Hα-helixtrans-75.4-41.8172.5-75.1179.4000110.7Q129 L132 R133 I136 L147 I155 I156 P157 S161 R162 C163Q129-L159 HydrophobicContact CB-CD1 3.72Å; Q129-L159 HydrophobicContact CG-CD1 4.04Å; L132-L159 HydrophobicContact CD2-CD1 4.2Å; L132-L159 HydrophobicContact CG-CD2 4.37Å; R133-L159 HydrophobicContact CB-CD2 3.79Å; R133-L159 HydrophobicContact CB-CG 4.4Å; I136-L159 HydrophobicContact CD1-CD2 3.62Å; L147-L159 HydrophobicContact CD1-CB 4.31Å; L147-L159 HydrophobicContact CD1-CD1 4.2Å; I155-L159 HydrophobicContact CG2-CB 3.78Å; I155-L159 HydrophobicContact CG2-CD1 4.24Å; I156-L159 HydrophobicContact CD1-CD1 4.38Å; I156-L159 HydrophobicContact CD1-CG 4.06Å; I156-L159 HydrophobicContact CG1-CB 4.03Å; I156-L159 HydrophobicContact CG1-CD1 3.98Å; I156-L159 HydrophobicContact CG1-CG 3.73Å; I156-L159 PolarHBondContact O-N 2.75Å; P157-L159 PolarHBondContact O-N 3.4Å; L159-S161 VanDerWaalsContact C-N 3.28Å; L159-S161 PolarHBondContact O-N 2.93Å; L159-R162 PolarHBondContact O-N 3.31Å; L159-R162 VanDerWaalsContact O-N 3.14Å; L159-C163 PolarHBondContact O-N 2.71Å; L159-C163 PolarHBondContact O-SG 3.48Å
160Q97.6Very high96.6Very high36 Ų3661.8 Ų61.817%0.16832%0.32CS..Hα-helixtrans-58-40179.2-60.9-171.833.400112.5L51 L152 I155 I156 P157 R162 C163L51-Q160 HydrophobicContact CD1-CG 4.18Å; L152-Q160 HydrophobicContact CD1-CG 3.86Å; L152-Q160 PolarHBondContact O-NE2 3.28Å; I155-Q160 HydrophobicContact CB-CG 4.24Å; I155-Q160 HydrophobicContact CG2-CG 3.97Å; I155-Q160 PolarHBondContact O-NE2 3.17Å; I156-Q160 PolarHBondContact O-N 3.09Å; P157-Q160 PolarHBondContact O-N 3.05Å; Q160-R162 PolarHBondContact O-N 3.49Å; Q160-C163 PolarHBondContact O-N 2.92Å; Q160-C163 VanDerWaalsContact O-O 3.13Å
161S96.8Very high96.5Very high91 Ų9160.2 Ų60.264%0.63631%0.311SS*.THydrogen-bonded Turntrans-71.5-15.9-178.961.40000114.7P157 A158 L159P157-S161 PolarHBondContact O-N 2.98Å; P157-S161 PolarHBondContact O-OG 2.83Å; A158-S161 PolarHBondContact O-OG 3.32Å; L159-S161 VanDerWaalsContact C-N 3.28Å; L159-S161 PolarHBondContact O-N 2.93Å
162R96.4Very high96.4Very high78 Ų7855.8 Ų55.829%0.29430%0.3SS..THydrogen-bonded Turntrans-96.5-4.5179.3-71.9163-177.758.212.1113.1I136 E137 A158 L159 Q160I136-R162 HydrophobicContact CG2-CB 4.44Å; E137-R162 IonicContact OE1-CZ 3.02Å; E137-R162 IonicContact OE1-NE 3.02Å; E137-R162 PolarHBondContact OE1-NE 3.02Å; E137-R162 IonicContact OE1-NH2 3.61Å; E137-R162 PolarHBondContact OE1-NH2 3.27Å; A158-R162 WeakPolarHBondContact O-CD 3.36Å; A158-R162 PolarHBondContact O-NH1 3.42Å; L159-R162 PolarHBondContact O-N 3.31Å; L159-R162 VanDerWaalsContact O-N 3.14Å; Q160-R162 PolarHBondContact O-N 3.49Å
163C97.5Very high96.2Very high12 Ų1257.4 Ų57.48%0.08131%0.313CS..SBendtrans-121.8140.4-175.6-550000111.4H49 L51 L159 Q160 R165H49-C163 HydrophobicContact CB-CB 4.36Å; H49-C163 CarbonylContact O-C 3.45Å; H49-C163 VanDerWaalsContact O-CA 3.3Å; H49-C163 WeakPolarHBondContact O-CA 3.43Å; L51-C163 HydrophobicContact CB-CB 3.66Å; L159-C163 PolarHBondContact O-N 2.71Å; L159-C163 PolarHBondContact O-SG 3.48Å; Q160-C163 PolarHBondContact O-N 2.92Å; Q160-C163 VanDerWaalsContact O-O 3.13Å; C163-R165 PolarHBondContact O-N 3.4Å
164T97.5Very high96Very high51 Ų5158 Ų5831%0.31331%0.308SS..EExtended strand (participates in β ladder)trans-72.9123.4164.9-58.30000108.9F41 P48 H49 L50 L51 F166F41-T164 HydrophobicContact CE2-CG2 4.25Å; P48-T164 WeakPolarHBondContact CG-OG1 3.35Å; H49-T164 PolarHBondContact O-N 3.07Å; L50-T164 WeakPolarHBondContact CA-O 3.26Å; L51-T164 PolarHBondContact N-O 3.49Å; T164-F166 HydrophobicContact CG2-CD2 4.35Å; T164-F166 HydrophobicContact CG2-CE2 3.6Å; T164-F166 HydrophobicContact CG2-CZ 3.9Å
165R97.1Very high95.8Very high141 Ų14154.9 Ų54.953%0.53230%0.295SS..EExtended strand (participates in β ladder)trans-94.8131.1-171.5-62.6176.1-66.4172.82.5110.9L51 Y53 C163L51-R165 HydrophobicContact CB-CG 4.27Å; L51-R165 HydrophobicContact CD2-CG 4.48Å; L51-R165 CarbonylContact O-C 3.58Å; L51-R165 WeakPolarHBondContact O-CA 3.25Å; Y53-R165 HydrophobicContact CE1-CB 4.15Å; C163-R165 PolarHBondContact O-N 3.4Å
166F97.3Very high95.5Very high18 Ų1854.8 Ų54.88%0.07929%0.294CS..EExtended strand (participates in β ladder)trans-123.9122.6174.5-68.8-80.2000110.1I34 T37 I38 F41 L50 L51 F52 Y53 T164 F168I34-F166 HydrophobicContact CB-CD1 4.17Å; I34-F166 HydrophobicContact CD1-CB 4.38Å; I34-F166 HydrophobicContact CG1-CD1 4.09Å; I34-F166 HydrophobicContact CG2-CB 4.03Å; I34-F166 HydrophobicContact CG2-CD1 3.55Å; I34-F166 HydrophobicContact CG2-CE1 4.18Å; I34-F166 HydrophobicContact CG2-CG 3.92Å; T37-F166 HydrophobicContact CG2-CE1 3.92Å; T37-F166 HydrophobicContact CG2-CZ 3.85Å; I38-F166 HydrophobicContact CG1-CE1 4.47Å; I38-F166 HydrophobicContact CG1-CE2 4.15Å; I38-F166 HydrophobicContact CG1-CZ 4.02Å; F41-F166 HydrophobicContact CE2-CZ 4Å; L50-F166 HydrophobicContact CD2-CD2 4.19Å; L50-F166 HydrophobicContact CD2-CE2 3.68Å; L51-F166 PolarHBondContact O-N 3.4Å; F52-F166 WeakPolarHBondContact CA-O 3.33Å; F52-F166 HydrophobicContact CD1-CB 3.81Å; F52-F166 HydrophobicContact CD1-CD2 4.05Å; F52-F166 HydrophobicContact CD1-CG 4.34Å; F52-F166 HydrophobicContact CE1-CB 4.05Å; F52-F166 AromaticContact CE1-CD2 3.64Å; F52-F166 HydrophobicContact CE1-CD2 3.64Å; F52-F166 HydrophobicContact CE1-CE2 4.47Å; F52-F166 HydrophobicContact CE1-CG 4.13Å; Y53-F166 VanDerWaalsContact CD1-O 3.27Å; Y53-F166 WeakPolarHBondContact CD1-O 3.36Å; Y53-F166 PolarHBondContact N-O 2.95Å; T164-F166 HydrophobicContact CG2-CD2 4.35Å; T164-F166 HydrophobicContact CG2-CE2 3.6Å; T164-F166 HydrophobicContact CG2-CZ 3.9Å; F166-F168 HydrophobicContact CB-CE2 3.95Å
167R96.3Very high95.3Very high173 Ų17356.7 Ų56.765%0.65330%0.302SS*.EExtended strand (participates in β ladder)trans-93.8117.6179.8-171175.9174.8-177.9-2.2110.3I34 Y53I34-R167 VanDerWaalsContact CD1-O 3.25Å; I34-R167 WeakPolarHBondContact CD1-O 3.35Å; Y53-R167 HydrophobicContact CD2-CG 4.29Å; Y53-R167 HydrophobicContact CE1-CB 3.77Å; Y53-R167 HydrophobicContact CE1-CG 4.34Å; Y53-R167 HydrophobicContact CE2-CB 3.99Å; Y53-R167 HydrophobicContact CE2-CG 3.63Å; Y53-R167 VanDerWaalsContact CZ-CB 3.48Å; Y53-R167 CarbonylContact O-C 3.58Å; Y53-R167 WeakPolarHBondContact O-CA 3.48Å; Y53-R167 WeakPolarHBondContact OH-CB 3.31Å
168F96Very high95.1Very high0 Ų054.4 Ų54.40%029%0.287CS..  trans-93.5104.4173-71.3-106.7000108.4H31 I34 F52 Y53 G54 P55 K60 T63 F166H31-F168 AromaticContact CD2-CD1 3.36Å; H31-F168 WeakPolarHBondContact CD2-CD1 3.25Å; H31-F168 AromaticContact CD2-CE1 3.89Å; H31-F168 AromaticContact NE2-CD1 3.72Å; I34-F168 HydrophobicContact CD1-CD2 4.41Å; I34-F168 HydrophobicContact CD1-CE2 4.33Å; I34-F168 HydrophobicContact CD1-CZ 4.48Å; I34-F168 HydrophobicContact CG2-CE2 4.27Å; I34-F168 HydrophobicContact CG2-CZ 3.92Å; F52-F168 HydrophobicContact CB-CD2 4.14Å; F52-F168 HydrophobicContact CB-CE2 3.79Å; F52-F168 AromaticContact CD1-CE2 3.85Å; F52-F168 HydrophobicContact CD1-CE2 3.85Å; F52-F168 AromaticContact CD2-CE2 3.76Å; F52-F168 HydrophobicContact CD2-CE2 3.76Å; F52-F168 AromaticContact CD2-CZ 3.89Å; F52-F168 HydrophobicContact CD2-CZ 3.89Å; F52-F168 HydrophobicContact CE1-CE2 4.36Å; F52-F168 HydrophobicContact CE2-CE2 4.26Å; F52-F168 HydrophobicContact CE2-CZ 4.05Å; F52-F168 HydrophobicContact CG-CD2 4.36Å; F52-F168 AromaticContact CG-CE2 3.52Å; F52-F168 HydrophobicContact CG-CE2 3.52Å; F52-F168 HydrophobicContact CG-CZ 4.13Å; F52-F168 HydrophobicContact CZ-CZ 4.46Å; Y53-F168 PolarHBondContact O-N 2.6Å; G54-F168 WeakPolarHBondContact CA-O 3.41Å; P55-F168 WeakPolarHBondContact CD-O 3.37Å; K60-F168 HydrophobicContact CD-CB 4.38Å; K60-F168 HydrophobicContact CG-CB 3.84Å; K60-F168 HydrophobicContact CG-CD1 4.14Å; K60-F168 HydrophobicContact CG-CD2 3.92Å; K60-F168 HydrophobicContact CG-CG 3.69Å; T63-F168 HydrophobicContact CG2-CE1 4.43Å; T63-F168 HydrophobicContact CG2-CZ 4.18Å; F166-F168 HydrophobicContact CB-CE2 3.95Å
169G94.1Very high94.8Very high21 Ų2154.8 Ų54.822%0.21628%0.284CS..PPolyproline II helixtrans-77.4165.3174.200000112.4H31 T58H31-G169 PolarHBondContact CE1-N 3.28Å; H31-G169 PolarHBondContact CE1-O 2.99Å; H31-G169 VanDerWaalsContact CE1-O 3.26Å; H31-G169 PolarHBondContact NE2-O 3.42Å; T58-G169 WeakPolarHBondContact CG2-O 3.5Å
170P94.6Very high94.7Very high80 Ų8054.8 Ų54.852%0.51928%0.284SS..PPolyproline II helixtrans-51.7142.3166.7-22.132.2000111.2P55P55-P170 HydrophobicContact CG-CG 4.18Å
171L94Very high94.6Very high16 Ų1657.5 Ų57.58%0.08430%0.297CS..PPolyproline II helixtrans-73.5139.6179.9-57.8-177.8000110.9Q175 M176 G205 M207L171-Q175 HydrophobicContact CB-CB 4.42Å; L171-M176 HydrophobicContact CB-CG 3.59Å; L171-M176 HydrophobicContact CB-SD 4.12Å; L171-M176 HydrophobicContact CD1-CG 4.14Å; L171-G205 WeakPolarHBondContact CB-O 3.43Å; L171-G205 WeakPolarHBondContact CG-O 3.34Å; L171-G205 PolarHBondContact N-O 3.25Å; L171-G205 VanDerWaalsContact O-CA 3.26Å; L171-G205 WeakPolarHBondContact O-CA 3.47Å; L171-M207 HydrophobicContact CD1-CB 3.84Å
172S93.4Very high94.4Very high45 Ų4556.4 Ų56.432%0.31528%0.281SS..PPolyproline II helixtrans-73.4156.5171.372.50000110.9D174 Q175 M176S172-D174 PolarHBondContact O-N 3.26Å; S172-Q175 WeakPolarHBondContact O-CB 3.36Å; S172-Q175 PolarHBondContact O-N 3.46Å; S172-Q175 WeakPolarHBondContact OG-CG 3.19Å; S172-Q175 PolarHBondContact OG-N 3.39Å; S172-M176 WeakPolarHBondContact O-CG 3.46Å; S172-M176 PolarHBondContact O-N 2.85Å; S172-M176 VanDerWaalsContact O-N 3.1Å
173P92.9Very high94.3Very high66 Ų6652.7 Ų52.743%0.42927%0.267SS..Hα-helixtrans-47.9-42.7172.7-32.538.7000113.6Q175 M176 K177 V200P173-Q175 VanDerWaalsContact C-N 3.28Å; P173-Q175 PolarHBondContact O-N 3.03Å; P173-M176 PolarHBondContact O-N 3.46Å; P173-K177 WeakPolarHBondContact O-CG 3.27Å; P173-K177 PolarHBondContact O-N 2.88Å; P173-V200 HydrophobicContact CB-CG1 3.71Å; P173-V200 HydrophobicContact CG-CG1 3.84Å
174D91.9Very high94.3Very high121 Ų12153 Ų5365%0.64727%0.268SS*.Hα-helixtrans-69.6-25-178.6-55.2-31.8000113S172 P178S172-D174 PolarHBondContact O-N 3.26Å; D174-P178 WeakPolarHBondContact O-CD 3.45Å; D174-P178 WeakPolarHBondContact O-CG 3.49Å
175Q91.1Very high94.2Very high54 Ų5457.8 Ų57.825%0.25229%0.287SS..Hα-helixtrans-80.4-30173.4-70.7172.4-31.700112.2L171 S172 P173L171-Q175 HydrophobicContact CB-CB 4.42Å; S172-Q175 WeakPolarHBondContact O-CB 3.36Å; S172-Q175 PolarHBondContact O-N 3.46Å; S172-Q175 WeakPolarHBondContact OG-CG 3.19Å; S172-Q175 PolarHBondContact OG-N 3.39Å; P173-Q175 VanDerWaalsContact C-N 3.28Å; P173-Q175 PolarHBondContact O-N 3.03Å
176M93.1Very high94.1Very high1 Ų157.6 Ų57.61%0.00529%0.29CS..Hα-helixtrans-82-42.3-177.9-63.6-178.473.800112.5L171 S172 P173 R179 L180 V200 D206 M207 S210L171-M176 HydrophobicContact CB-CG 3.59Å; L171-M176 HydrophobicContact CB-SD 4.12Å; L171-M176 HydrophobicContact CD1-CG 4.14Å; S172-M176 WeakPolarHBondContact O-CG 3.46Å; S172-M176 PolarHBondContact O-N 2.85Å; S172-M176 VanDerWaalsContact O-N 3.1Å; P173-M176 PolarHBondContact O-N 3.46Å; M176-R179 PolarHBondContact O-N 3.35Å; M176-R179 VanDerWaalsContact O-N 3.15Å; M176-L180 PolarHBondContact O-N 3.29Å; M176-L180 VanDerWaalsContact O-N 3.08Å; M176-V200 HydrophobicContact SD-CG1 4.39Å; M176-D206 WeakPolarHBondContact CE-O 3.49Å; M176-M207 HydrophobicContact CB-SD 4.44Å; M176-M207 HydrophobicContact CE-SD 4.39Å; M176-S210 VanDerWaalsContact CE-CB 3.49Å
177K93.2Very high94Very high61 Ų6159.4 Ų59.427%0.26530%0.298SS..Hα-helixtrans-52.7-48.9-174.4-79.6175.4179.2-1770113.8P173 R179 L180 E181 V200P173-K177 WeakPolarHBondContact O-CG 3.27Å; P173-K177 PolarHBondContact O-N 2.88Å; K177-R179 PolarHBondContact O-N 2.78Å; K177-L180 PolarHBondContact O-N 3.24Å; K177-E181 WeakPolarHBondContact O-CB 3.49Å; K177-E181 WeakPolarHBondContact O-CG 3.08Å; K177-E181 PolarHBondContact O-N 3.43Å; K177-V200 HydrophobicContact CG-CG2 4.42Å
178P92.2Very high93.9Very high54 Ų5458.2 Ų58.235%0.35131%0.305SS..Hα-helixtrans-60.1-35.1-178-25.535.7000113V29 D174 H182V29-P178 HydrophobicContact CG1-CB 4.23Å; V29-P178 HydrophobicContact CG1-CG 4.08Å; V29-P178 HydrophobicContact CG2-CB 4.45Å; D174-P178 WeakPolarHBondContact O-CD 3.45Å; D174-P178 WeakPolarHBondContact O-CG 3.49Å; P178-H182 PolarHBondContact O-N 3.35Å; P178-H182 VanDerWaalsContact O-N 3.13Å
179R91.6Very high93.9Very high30 Ų3059.3 Ų59.311%0.11331%0.311CS..Hα-helixtrans-74.3-38.3177.6-170.160175.3-176.52.6111.8Y20 M176 K177 V183 M207Y20-R179 PolarHBondContact O-NE 3.08Å; Y20-R179 PolarHBondContact O-NH2 3.06Å; M176-R179 PolarHBondContact O-N 3.35Å; M176-R179 VanDerWaalsContact O-N 3.15Å; K177-R179 PolarHBondContact O-N 2.78Å; R179-V183 WeakPolarHBondContact O-CG2 3.23Å; R179-V183 PolarHBondContact O-N 3.48Å; R179-M207 HydrophobicContact CB-CE 3.86Å; R179-M207 HydrophobicContact CB-SD 4.2Å; R179-M207 HydrophobicContact CG-CE 3.7Å; R179-M207 HydrophobicContact CG-SD 4.31Å
180L94.5Very high94Very high1 Ų162.2 Ų62.21%0.00532%0.321CS..Hα-helixtrans-64.9-45.5175-70.8171.1000111.1M176 K177 H182 V183 I184 M196 I199 V200 M207 L211 L214M176-L180 PolarHBondContact O-N 3.29Å; M176-L180 VanDerWaalsContact O-N 3.08Å; K177-L180 PolarHBondContact O-N 3.24Å; L180-H182 VanDerWaalsContact C-N 3.32Å; L180-H182 PolarHBondContact O-N 3.3Å; L180-V183 PolarHBondContact O-N 3.09Å; L180-I184 HydrophobicContact CB-CD1 4.42Å; L180-I184 WeakPolarHBondContact O-CD1 3.36Å; L180-I184 VanDerWaalsContact O-CG1 3.28Å; L180-I184 WeakPolarHBondContact O-CG1 3.34Å; L180-I184 PolarHBondContact O-N 2.98Å; L180-M196 HydrophobicContact CB-CE 3.9Å; L180-M196 HydrophobicContact CB-SD 3.98Å; L180-M196 HydrophobicContact CD1-SD 3.73Å; L180-M196 HydrophobicContact CG-SD 4.5Å; L180-I199 HydrophobicContact CD1-CG2 4.3Å; L180-V200 HydrophobicContact CD1-CG2 3.88Å; L180-M207 HydrophobicContact CD2-CE 3.64Å; L180-M207 HydrophobicContact CG-CE 3.79Å; L180-L211 HydrophobicContact CD2-CD2 4.07Å; L180-L214 HydrophobicContact CD2-CD2 4.17Å
181E95.1Very high94.1Very high94 Ų9460 Ų6044%0.43930%0.304SS..Hα-helixtrans-56.7-45.6176.6-73.8166179.100111.3K177 V183 I184 E185 M196K177-E181 WeakPolarHBondContact O-CB 3.49Å; K177-E181 WeakPolarHBondContact O-CG 3.08Å; K177-E181 PolarHBondContact O-N 3.43Å; E181-V183 VanDerWaalsContact C-N 3.29Å; E181-V183 PolarHBondContact O-N 3.22Å; E181-I184 PolarHBondContact O-N 2.92Å; E181-E185 WeakPolarHBondContact O-CG 3.37Å; E181-E185 PolarHBondContact O-N 2.96Å; E181-M196 HydrophobicContact CG-CE 3.96Å
182H93.4Very high94.3Very high67 Ų6760.3 Ų60.331%0.3131%0.307SS..Hα-helixtrans-56.1-42174-179.775.6000113P178 L180 K186P178-H182 PolarHBondContact O-N 3.35Å; P178-H182 VanDerWaalsContact O-N 3.13Å; L180-H182 VanDerWaalsContact C-N 3.32Å; L180-H182 PolarHBondContact O-N 3.3Å; H182-K186 WeakPolarHBondContact O-CB 3.05Å; H182-K186 WeakPolarHBondContact O-CG 3.36Å; H182-K186 PolarHBondContact O-N 2.76Å; H182-K186 VanDerWaalsContact O-N 3.12Å
183V94.5Very high94.4Very high0 Ų063 Ų630%032%0.323CS..Hα-helixtrans-70.6-41.9178.51760000111.1W16 Y20 R179 L180 E181 E185 K186 E187 L211 L214W16-V183 HydrophobicContact CD2-CG1 4.23Å; W16-V183 HydrophobicContact CE3-CG1 3.79Å; W16-V183 HydrophobicContact CZ3-CG1 4.14Å; Y20-V183 HydrophobicContact CD1-CG2 3.81Å; Y20-V183 HydrophobicContact CD2-CG1 3.96Å; Y20-V183 HydrophobicContact CD2-CG2 3.83Å; Y20-V183 HydrophobicContact CE1-CG2 4.26Å; Y20-V183 HydrophobicContact CE2-CG1 3.8Å; Y20-V183 HydrophobicContact CE2-CG2 4.31Å; Y20-V183 HydrophobicContact CG-CG2 3.57Å; R179-V183 WeakPolarHBondContact O-CG2 3.23Å; R179-V183 PolarHBondContact O-N 3.48Å; L180-V183 PolarHBondContact O-N 3.09Å; E181-V183 VanDerWaalsContact C-N 3.29Å; E181-V183 PolarHBondContact O-N 3.22Å; V183-E185 VanDerWaalsContact C-N 3.33Å; V183-E185 PolarHBondContact O-N 3.11Å; V183-K186 PolarHBondContact O-N 2.92Å; V183-E187 HydrophobicContact CG1-CG 4.18Å; V183-E187 WeakPolarHBondContact O-CB 3.32Å; V183-E187 WeakPolarHBondContact O-CG 3.3Å; V183-E187 PolarHBondContact O-N 2.75Å; V183-L211 HydrophobicContact CB-CD2 4.37Å; V183-L211 HydrophobicContact CG1-CD2 4.37Å; V183-L211 HydrophobicContact CG2-CD2 3.85Å; V183-L214 HydrophobicContact CB-CD2 4.48Å; V183-L214 HydrophobicContact CG1-CD2 4.1Å
184I96.1Very high94.5Very high20 Ų2063 Ų6310%0.10332%0.32CS..Hα-helixtrans-58-45.8177.1-72.5155.5000111.1L180 E181 N188 I189 I191 M196 L214L180-I184 HydrophobicContact CB-CD1 4.42Å; L180-I184 WeakPolarHBondContact O-CD1 3.36Å; L180-I184 VanDerWaalsContact O-CG1 3.28Å; L180-I184 WeakPolarHBondContact O-CG1 3.34Å; L180-I184 PolarHBondContact O-N 2.98Å; E181-I184 PolarHBondContact O-N 2.92Å; I184-N188 WeakPolarHBondContact O-CA 3.25Å; I184-N188 PolarHBondContact O-N 2.82Å; I184-I189 HydrophobicContact CG1-CD1 4.21Å; I184-I189 HydrophobicContact CG2-CB 4.24Å; I184-I189 PolarHBondContact O-N 3.47Å; I184-I189 VanDerWaalsContact O-N 3.07Å; I184-I191 HydrophobicContact CD1-CD1 4.19Å; I184-I191 HydrophobicContact CD1-CG2 3.78Å; I184-I191 HydrophobicContact CG1-CG2 4.09Å; I184-I191 HydrophobicContact CG2-CG2 3.73Å; I184-M196 HydrophobicContact CD1-CE 3.22Å; I184-M196 HydrophobicContact CD1-SD 4.47Å; I184-L214 HydrophobicContact CD1-CD1 4.48Å; I184-L214 HydrophobicContact CG1-CD1 4.21Å; I184-L214 HydrophobicContact CG1-CD2 3.95Å
185E95.8Very high94.7Very high150 Ų15057.2 Ų57.270%0.70129%0.289SS*.Hα-helixtrans-65-42.8176.7-71.8176.2-178.400111.9E181 V183 N188E181-E185 WeakPolarHBondContact O-CG 3.37Å; E181-E185 PolarHBondContact O-N 2.96Å; V183-E185 VanDerWaalsContact C-N 3.33Å; V183-E185 PolarHBondContact O-N 3.11Å; E185-N188 PolarHBondContact O-N 2.84Å
186K95.1Very high95Very high137 Ų13755.5 Ų55.560%0.59628%0.281SS*.Hα-helixtrans-69.9-32.8-178.1-73.6-70.2-178.7-171.20113.5Y20 H182 V183Y20-K186 HydrophobicContact CE1-CB 3.93Å; Y20-K186 HydrophobicContact CE1-CG 4.23Å; Y20-K186 WeakPolarHBondContact OH-CB 3.41Å; H182-K186 WeakPolarHBondContact O-CB 3.05Å; H182-K186 WeakPolarHBondContact O-CG 3.36Å; H182-K186 PolarHBondContact O-N 2.76Å; H182-K186 VanDerWaalsContact O-N 3.12Å; V183-K186 PolarHBondContact O-N 2.92Å
187E95Very high95.1Very high56 Ų5659.1 Ų59.126%0.26230%0.301SS..Hα-helixtrans-98.3-1.2179.4-58.8-72.1-160.800112.6W16 K19 Y20 V183 I189W16-E187 HydrophobicContact CD2-CG 4.46Å; W16-E187 HydrophobicContact CH2-CB 4.09Å; W16-E187 HydrophobicContact CH2-CG 4.04Å; W16-E187 HydrophobicContact CZ2-CB 3.88Å; W16-E187 HydrophobicContact CZ2-CG 3.54Å; W16-E187 PolarHBondContact NE1-OE1 2.94Å; K19-E187 VanDerWaalsContact NZ-CD 3.33Å; K19-E187 IonicContact NZ-OE1 3.44Å; K19-E187 PolarHBondContact NZ-OE1 2.78Å; K19-E187 IonicContact NZ-OE2 3.97Å; K19-E187 PolarHBondContact NZ-OE2 3.3Å; Y20-E187 HydrophobicContact CE2-CG 4.07Å; Y20-E187 WeakPolarHBondContact CE2-OE1 3.49Å; Y20-E187 VanDerWaalsContact OH-CG 3.23Å; Y20-E187 WeakPolarHBondContact OH-CG 3.3Å; Y20-E187 PolarHBondContact OH-OE1 3.48Å; V183-E187 HydrophobicContact CG1-CG 4.18Å; V183-E187 WeakPolarHBondContact O-CB 3.32Å; V183-E187 WeakPolarHBondContact O-CG 3.3Å; V183-E187 PolarHBondContact O-N 2.75Å; E187-I189 HydrophobicContact CB-CD1 4.07Å; E187-I189 HydrophobicContact CB-CG1 3.85Å
188N94.7Very high95.2Very high149 Ų14956.3 Ų56.380%0.79729%0.289SS*.THydrogen-bonded Turntrans53.355179.9-169.953.5000113.4I184 E185I184-N188 WeakPolarHBondContact O-CA 3.25Å; I184-N188 PolarHBondContact O-N 2.82Å; E185-N188 PolarHBondContact O-N 2.84Å
189I96Very high95.4Very high23 Ų2353.8 Ų53.812%0.11827%0.272CS..  trans-90.6128.8-175.9-50.8172.5000110.5W16 I184 E187 I191 L214 V224W16-I189 HydrophobicContact CH2-CD1 3.34Å; W16-I189 HydrophobicContact CH2-CG1 4.17Å; W16-I189 HydrophobicContact CZ2-CD1 4.46Å; W16-I189 HydrophobicContact CZ3-CD1 3.52Å; I184-I189 HydrophobicContact CG1-CD1 4.21Å; I184-I189 HydrophobicContact CG2-CB 4.24Å; I184-I189 PolarHBondContact O-N 3.47Å; I184-I189 VanDerWaalsContact O-N 3.07Å; E187-I189 HydrophobicContact CB-CD1 4.07Å; E187-I189 HydrophobicContact CB-CG1 3.85Å; I189-I191 HydrophobicContact CG2-CB 4.47Å; I189-I191 PolarHBondContact O-N 3.38Å; I189-L214 HydrophobicContact CD1-CD1 4.24Å; I189-L214 HydrophobicContact CD1-CD2 3.95Å; I189-L214 HydrophobicContact CD1-CG 3.98Å; I189-V224 HydrophobicContact CG2-CG2 3.75Å
190D96Very high95.6Very high81 Ų8152.9 Ų52.943%0.43327%0.27SS..EExtended strand (participates in β ladder)trans-78.1105.4166.8-176.14.8000109.7K223 V224D190-K223 HydrophobicContact CB-CG 4.41Å; D190-K223 VanDerWaalsContact CG-NZ 3.25Å; D190-K223 WeakPolarHBondContact OD1-CE 3.35Å; D190-K223 IonicContact OD1-NZ 2.84Å; D190-K223 PolarHBondContact OD1-NZ 2.77Å; D190-K223 WeakPolarHBondContact OD2-CD 3.48Å; D190-K223 WeakPolarHBondContact OD2-CE 3.11Å; D190-K223 IonicContact OD2-NZ 2.64Å; D190-K223 PolarHBondContact OD2-NZ 3.06Å; D190-V224 PolarHBondContact O-N 2.86Å
191I97.4Very high95.5Very high33 Ų3356.2 Ų56.217%0.16929%0.291CS..EExtended strand (participates in β ladder)trans-128137.8179.5-175.4165.1000111I184 I189 M196 I199 L214 V224I184-I191 HydrophobicContact CD1-CD1 4.19Å; I184-I191 HydrophobicContact CD1-CG2 3.78Å; I184-I191 HydrophobicContact CG1-CG2 4.09Å; I184-I191 HydrophobicContact CG2-CG2 3.73Å; I189-I191 HydrophobicContact CG2-CB 4.47Å; I189-I191 PolarHBondContact O-N 3.38Å; I191-M196 HydrophobicContact CD1-CB 4.13Å; I191-M196 HydrophobicContact CG1-CB 4.5Å; I191-I199 HydrophobicContact CD1-CD1 3.88Å; I191-L214 HydrophobicContact CD1-CD1 3.78Å; I191-V224 WeakPolarHBondContact CA-O 3.37Å; I191-V224 HydrophobicContact CB-CB 3.94Å; I191-V224 HydrophobicContact CB-CG1 4.47Å; I191-V224 HydrophobicContact CD1-CB 4.11Å; I191-V224 HydrophobicContact CD1-CG1 3.69Å; I191-V224 HydrophobicContact CG1-CB 3.79Å; I191-V224 HydrophobicContact CG1-CG1 3.81Å
192T97.2Very high95.4Very high23 Ų2352 Ų5214%0.14127%0.271CS..  trans-88.5156175.656.80000111.8D194 G195 M196 K223 V224 T225T192-D194 VanDerWaalsContact C-N 3.29Å; T192-D194 WeakPolarHBondContact CB-OD1 3.46Å; T192-D194 PolarHBondContact O-N 3.09Å; T192-D194 PolarHBondContact OG1-OD1 2.81Å; T192-G195 PolarHBondContact O-N 3.49Å; T192-G195 VanDerWaalsContact O-N 3.11Å; T192-G195 PolarHBondContact OG1-N 3.43Å; T192-M196 PolarHBondContact O-N 3.3Å; T192-K223 HydrophobicContact CG2-CD 4.35Å; T192-V224 PolarHBondContact N-O 2.91Å; T192-V224 PolarHBondContact OG1-O 2.85Å; T192-T225 HydrophobicContact CG2-CG2 4.03Å; T192-T225 WeakPolarHBondContact OG1-CA 3.29Å
193P96.3Very high95.4Very high101 Ų10148.9 Ų48.966%0.65626%0.257SS*.Hα-helixtrans-58.5-36.7177.7-25.535.1000114N197P193-N197 VanDerWaalsContact O-CG 3.29Å; P193-N197 PolarHBondContact O-N 2.87Å; P193-N197 PolarHBondContact O-ND2 2.84Å; P193-N197 VanDerWaalsContact O-ND2 3.09Å
194D95.4Very high95.3Very high66 Ų6655.3 Ų55.335%0.35329%0.285SS..Hα-helixtrans-67.9-40.4174.157.8-64.4000111.7T192 M196 N197 A198 E226T192-D194 VanDerWaalsContact C-N 3.29Å; T192-D194 WeakPolarHBondContact CB-OD1 3.46Å; T192-D194 PolarHBondContact O-N 3.09Å; T192-D194 PolarHBondContact OG1-OD1 2.81Å; D194-M196 PolarHBondContact O-N 2.84Å; D194-N197 PolarHBondContact O-N 3.23Å; D194-A198 WeakPolarHBondContact O-CB 3.3Å; D194-A198 PolarHBondContact O-N 2.96Å; D194-E226 HydrophobicContact CB-CB 4.12Å; D194-E226 WeakPolarHBondContact OD2-CB 3.44Å; D194-E226 PolarHBondContact OD2-N 3.19Å
195G95.9Very high95.2Very high0 Ų054.7 Ų54.70%028%0.283CS..Hα-helixtrans-58.3-46171.700000112.7T192 N197 A198 I199T192-G195 PolarHBondContact O-N 3.49Å; T192-G195 VanDerWaalsContact O-N 3.11Å; T192-G195 PolarHBondContact OG1-N 3.43Å; G195-N197 PolarHBondContact O-N 3.02Å; G195-A198 WeakPolarHBondContact O-CB 3.28Å; G195-A198 PolarHBondContact O-N 3.22Å; G195-I199 WeakPolarHBondContact O-CG1 3.42Å; G195-I199 PolarHBondContact O-N 2.86Å
196M96.6Very high95.2Very high18 Ų1848.8 Ų48.89%0.08926%0.256CS..Hα-helixtrans-59.5-47.8175.1175.165.188.500111.5L180 E181 I184 I191 T192 D194 A198 I199 V200L180-M196 HydrophobicContact CB-CE 3.9Å; L180-M196 HydrophobicContact CB-SD 3.98Å; L180-M196 HydrophobicContact CD1-SD 3.73Å; L180-M196 HydrophobicContact CG-SD 4.5Å; E181-M196 HydrophobicContact CG-CE 3.96Å; I184-M196 HydrophobicContact CD1-CE 3.22Å; I184-M196 HydrophobicContact CD1-SD 4.47Å; I191-M196 HydrophobicContact CD1-CB 4.13Å; I191-M196 HydrophobicContact CG1-CB 4.5Å; T192-M196 PolarHBondContact O-N 3.3Å; D194-M196 PolarHBondContact O-N 2.84Å; M196-A198 VanDerWaalsContact C-N 3.3Å; M196-A198 PolarHBondContact O-N 2.86Å; M196-I199 PolarHBondContact O-N 3.08Å; M196-V200 WeakPolarHBondContact O-CG2 3.41Å; M196-V200 PolarHBondContact O-N 3.05Å; M196-V200 HydrophobicContact SD-CG2 4.39Å
197N95.8Very high95.1Very high78 Ų7843.5 Ų43.542%0.41723%0.234SC..Hα-helixtrans-63.5-36.5178.4-71.7-35.1000112.1P193 D194 G195 V200 T201P193-N197 VanDerWaalsContact O-CG 3.29Å; P193-N197 PolarHBondContact O-N 2.87Å; P193-N197 PolarHBondContact O-ND2 2.84Å; P193-N197 VanDerWaalsContact O-ND2 3.09Å; D194-N197 PolarHBondContact O-N 3.23Å; G195-N197 PolarHBondContact O-N 3.02Å; N197-V200 PolarHBondContact O-N 3.42Å; N197-T201 VanDerWaalsContact O-CB 3.31Å; N197-T201 WeakPolarHBondContact O-CB 3.2Å; N197-T201 PolarHBondContact O-N 3.44Å; N197-T201 PolarHBondContact O-OG1 3.31Å
198A94.8Very high95.1Very high2 Ų246 Ų462%0.01724%0.241CC..Hα-helixtrans-63.1-46.1175.600000111.6D194 G195 M196 V200 T201 L202 E226 V229 Y230D194-A198 WeakPolarHBondContact O-CB 3.3Å; D194-A198 PolarHBondContact O-N 2.96Å; G195-A198 WeakPolarHBondContact O-CB 3.28Å; G195-A198 PolarHBondContact O-N 3.22Å; M196-A198 VanDerWaalsContact C-N 3.3Å; M196-A198 PolarHBondContact O-N 2.86Å; A198-V200 PolarHBondContact O-N 3.2Å; A198-T201 PolarHBondContact O-N 3.25Å; A198-L202 WeakPolarHBondContact O-CB 3.39Å; A198-L202 WeakPolarHBondContact O-CG 3.47Å; A198-L202 PolarHBondContact O-N 3Å; A198-E226 HydrophobicContact CB-CB 4.29Å; A198-E226 HydrophobicContact CB-CG 4.09Å; A198-V229 HydrophobicContact CB-CB 4.15Å; A198-V229 HydrophobicContact CB-CG1 3.89Å; A198-Y230 HydrophobicContact CB-CD2 4.23Å; A198-Y230 HydrophobicContact CB-CE2 3.88Å
199I96.4Very high95.2Very high0 Ų043.6 Ų43.60%022%0.221CC..Hα-helixtrans-58.5-51.1176.1-67.3173.2000110.3L180 I191 G195 M196 T201 L202 S203 I213 L214 V224 V229L180-I199 HydrophobicContact CD1-CG2 4.3Å; I191-I199 HydrophobicContact CD1-CD1 3.88Å; G195-I199 WeakPolarHBondContact O-CG1 3.42Å; G195-I199 PolarHBondContact O-N 2.86Å; M196-I199 PolarHBondContact O-N 3.08Å; I199-T201 VanDerWaalsContact C-N 3.32Å; I199-T201 PolarHBondContact O-N 3.33Å; I199-L202 PolarHBondContact O-N 3.24Å; I199-S203 VanDerWaalsContact O-CB 3.25Å; I199-S203 WeakPolarHBondContact O-CB 3.46Å; I199-S203 PolarHBondContact O-N 2.83Å; I199-S203 PolarHBondContact O-OG 3.39Å; I199-I213 HydrophobicContact CG1-CG2 3.96Å; I199-L214 HydrophobicContact CD1-CB 4.03Å; I199-L214 HydrophobicContact CD1-CD1 3.42Å; I199-L214 VanDerWaalsContact CD1-CD1 3.42Å; I199-L214 HydrophobicContact CD1-CG 4.31Å; I199-V224 HydrophobicContact CD1-CG1 4.05Å; I199-V229 HydrophobicContact CD1-CG2 4.16Å; I199-V229 HydrophobicContact CG1-CG1 3.93Å; I199-V229 HydrophobicContact CG1-CG2 3.74Å
200V95.7Very high95.2Very high12 Ų1242.5 Ų42.57%0.07322%0.216CC..Hα-helixtrans-60.2-43.4-179.6172.60000111.3P173 M176 K177 L180 M196 N197 A198 S203P173-V200 HydrophobicContact CB-CG1 3.71Å; P173-V200 HydrophobicContact CG-CG1 3.84Å; M176-V200 HydrophobicContact SD-CG1 4.39Å; K177-V200 HydrophobicContact CG-CG2 4.42Å; L180-V200 HydrophobicContact CD1-CG2 3.88Å; M196-V200 WeakPolarHBondContact O-CG2 3.41Å; M196-V200 PolarHBondContact O-N 3.05Å; M196-V200 HydrophobicContact SD-CG2 4.39Å; N197-V200 PolarHBondContact O-N 3.42Å; A198-V200 PolarHBondContact O-N 3.2Å; V200-S203 PolarHBondContact O-N 3.11Å
201T92.5Very high95.2Very high70 Ų7039 Ų3943%0.42920%0.197SC..Hα-helixtrans-61.7-51.8178.7-590000111.5N197 A198 I199 S203 K204N197-T201 VanDerWaalsContact O-CB 3.31Å; N197-T201 WeakPolarHBondContact O-CB 3.2Å; N197-T201 PolarHBondContact O-N 3.44Å; N197-T201 PolarHBondContact O-OG1 3.31Å; A198-T201 PolarHBondContact O-N 3.25Å; I199-T201 VanDerWaalsContact C-N 3.32Å; I199-T201 PolarHBondContact O-N 3.33Å; T201-S203 PolarHBondContact O-N 2.92Å; T201-K204 PolarHBondContact O-N 3.35Å
202L92.4Very high95.2Very high6 Ų641 Ų413%0.03121%0.207CC..Hα-helixtrans-67.4-24.4-179.5-69.2177.8000112.8A198 I199 K204 R209 I213 V229 Y230 T233 H235A198-L202 WeakPolarHBondContact O-CB 3.39Å; A198-L202 WeakPolarHBondContact O-CG 3.47Å; A198-L202 PolarHBondContact O-N 3Å; I199-L202 PolarHBondContact O-N 3.24Å; L202-K204 VanDerWaalsContact C-N 3.31Å; L202-K204 PolarHBondContact O-N 3.31Å; L202-R209 PolarHBondContact O-NE 3.32Å; L202-R209 VanDerWaalsContact O-NE 3.14Å; L202-R209 PolarHBondContact O-NH1 3.11Å; L202-R209 PolarHBondContact O-NH2 3.14Å; L202-I213 HydrophobicContact CB-CD1 4.07Å; L202-V229 HydrophobicContact CD1-CG1 3.72Å; L202-Y230 HydrophobicContact CD1-CD1 4.28Å; L202-Y230 HydrophobicContact CD1-CD2 4.49Å; L202-Y230 HydrophobicContact CD1-CE1 4.29Å; L202-Y230 HydrophobicContact CD1-CE2 4.5Å; L202-Y230 HydrophobicContact CD1-CG 4.39Å; L202-Y230 HydrophobicContact CD2-CD1 4.35Å; L202-Y230 HydrophobicContact CD2-CE1 3.75Å; L202-Y230 HydrophobicContact CG-CE1 4.31Å; L202-T233 HydrophobicContact CD1-CG2 4.29Å; L202-H235 HydrophobicContact CD2-CB 4.18Å
203S93.8Very high95.1Very high1 Ų140.3 Ų40.31%0.00720%0.203CC..Hα-helixtrans-74.6-19.9179.9-60.90000113.6I199 V200 T201 G205 D206 S210I199-S203 VanDerWaalsContact O-CB 3.25Å; I199-S203 WeakPolarHBondContact O-CB 3.46Å; I199-S203 PolarHBondContact O-N 2.83Å; I199-S203 PolarHBondContact O-OG 3.39Å; V200-S203 PolarHBondContact O-N 3.11Å; T201-S203 PolarHBondContact O-N 2.92Å; S203-G205 PolarHBondContact O-N 3.02Å; S203-G205 VanDerWaalsContact O-N 3.11Å; S203-D206 WeakPolarHBondContact O-CB 3.42Å; S203-D206 PolarHBondContact O-N 3.01Å; S203-S210 WeakPolarHBondContact OG-CA 3.46Å; S203-S210 WeakPolarHBondContact OG-CB 3.42Å; S203-S210 PolarHBondContact OG-N 3.48Å
204K92.4Very high95.2Very high135 Ų13535.6 Ų35.659%0.58717%0.172SC*.THydrogen-bonded Turntrans4938.2178.2-59-175.8-179.7-177.50113.2T201 L202T201-K204 PolarHBondContact O-N 3.35Å; L202-K204 VanDerWaalsContact C-N 3.31Å; L202-K204 PolarHBondContact O-N 3.31Å
205G93.4Very high95.2Very high7 Ų734 Ų347%0.07216%0.163CC..THydrogen-bonded Turntrans81.19.6179.800000116.1L171 S203L171-G205 WeakPolarHBondContact CB-O 3.43Å; L171-G205 WeakPolarHBondContact CG-O 3.34Å; L171-G205 PolarHBondContact N-O 3.25Å; L171-G205 VanDerWaalsContact O-CA 3.26Å; L171-G205 WeakPolarHBondContact O-CA 3.47Å; S203-G205 PolarHBondContact O-N 3.02Å; S203-G205 VanDerWaalsContact O-N 3.11Å
206D95.8Very high95.2Very high26 Ų2636.4 Ų36.414%0.13918%0.179CC..  trans-95.7113.1173.8-177.7-36000110.5G57 M176 S203 R208 R209 S210G57-D206 WeakPolarHBondContact CA-OD1 3.19Å; M176-D206 WeakPolarHBondContact CE-O 3.49Å; S203-D206 WeakPolarHBondContact O-CB 3.42Å; S203-D206 PolarHBondContact O-N 3.01Å; D206-R208 WeakPolarHBondContact OD1-CA 3.37Å; D206-R208 VanDerWaalsContact OD1-CB 3.25Å; D206-R208 WeakPolarHBondContact OD1-CB 3.45Å; D206-R208 PolarHBondContact OD1-N 3.34Å; D206-R209 HydrophobicContact CB-CB 3.85Å; D206-R209 PolarHBondContact O-N 3.21Å; D206-R209 PolarHBondContact OD1-N 2.92Å; D206-S210 PolarHBondContact O-N 2.81Å; D206-S210 VanDerWaalsContact O-N 3.09Å
207M94.6Very high95.2Very high26 Ų2635.5 Ų35.513%0.12818%0.175CC..Hα-helixtrans-67.1-37.3-179.9-168.266.1-144.200112.5G57 L171 M176 R179 L180 R209 S210 L211G57-M207 WeakPolarHBondContact O-CB 3.2Å; G57-M207 PolarHBondContact O-N 3.32Å; L171-M207 HydrophobicContact CD1-CB 3.84Å; M176-M207 HydrophobicContact CB-SD 4.44Å; M176-M207 HydrophobicContact CE-SD 4.39Å; R179-M207 HydrophobicContact CB-CE 3.86Å; R179-M207 HydrophobicContact CB-SD 4.2Å; R179-M207 HydrophobicContact CG-CE 3.7Å; R179-M207 HydrophobicContact CG-SD 4.31Å; L180-M207 HydrophobicContact CD2-CE 3.64Å; L180-M207 HydrophobicContact CG-CE 3.79Å; M207-R209 VanDerWaalsContact C-N 3.34Å; M207-R209 PolarHBondContact O-N 3.3Å; M207-S210 WeakPolarHBondContact CA-OG 3.38Å; M207-S210 WeakPolarHBondContact CE-OG 3.36Å; M207-S210 PolarHBondContact O-N 3.3Å; M207-S210 PolarHBondContact O-OG 3.06Å; M207-L211 HydrophobicContact CE-CD1 4.14Å; M207-L211 HydrophobicContact CE-CD2 3.7Å; M207-L211 HydrophobicContact CE-CG 3.66Å; M207-L211 PolarHBondContact O-N 2.92Å
208R95.2Very high95.2Very high108 Ų10833.2 Ų33.241%0.40817%0.165SC..Hα-helixtrans-62.7-45.7179179.9-176.4-58133.3-8.9110.1V17 D206 S210 L211 N212V17-R208 HydrophobicContact CB-CG 4.4Å; V17-R208 HydrophobicContact CG1-CB 4.44Å; V17-R208 HydrophobicContact CG1-CG 3.71Å; V17-R208 HydrophobicContact CG2-CG 3.74Å; D206-R208 WeakPolarHBondContact OD1-CA 3.37Å; D206-R208 VanDerWaalsContact OD1-CB 3.25Å; D206-R208 WeakPolarHBondContact OD1-CB 3.45Å; D206-R208 PolarHBondContact OD1-N 3.34Å; R208-S210 VanDerWaalsContact C-N 3.33Å; R208-S210 PolarHBondContact O-N 3.37Å; R208-L211 PolarHBondContact O-N 2.97Å; R208-N212 PolarHBondContact O-N 3.42Å
209R95.7Very high95.1Very high100 Ų10040 Ų4038%0.37720%0.198SC..Hα-helixtrans-59.3-44.6174.9-174.4171.2179.9177.82.4111.1L202 D206 M207 L211 N212 I213L202-R209 PolarHBondContact O-NE 3.32Å; L202-R209 VanDerWaalsContact O-NE 3.14Å; L202-R209 PolarHBondContact O-NH1 3.11Å; L202-R209 PolarHBondContact O-NH2 3.14Å; D206-R209 HydrophobicContact CB-CB 3.85Å; D206-R209 PolarHBondContact O-N 3.21Å; D206-R209 PolarHBondContact OD1-N 2.92Å; M207-R209 VanDerWaalsContact C-N 3.34Å; M207-R209 PolarHBondContact O-N 3.3Å; R209-L211 PolarHBondContact O-N 3.33Å; R209-N212 PolarHBondContact O-N 3.14Å; R209-I213 HydrophobicContact CG-CD1 3.84Å; R209-I213 HydrophobicContact CG-CG1 4.39Å; R209-I213 VanDerWaalsContact O-CG1 3.29Å; R209-I213 WeakPolarHBondContact O-CG1 3.21Å; R209-I213 PolarHBondContact O-N 3.34Å
210S96.6Very high95Very high0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-61.5-42.3179.872.70000113.7M176 S203 D206 M207 R208 I213 L214M176-S210 VanDerWaalsContact CE-CB 3.49Å; S203-S210 WeakPolarHBondContact OG-CA 3.46Å; S203-S210 WeakPolarHBondContact OG-CB 3.42Å; S203-S210 PolarHBondContact OG-N 3.48Å; D206-S210 PolarHBondContact O-N 2.81Å; D206-S210 VanDerWaalsContact O-N 3.09Å; M207-S210 WeakPolarHBondContact CA-OG 3.38Å; M207-S210 WeakPolarHBondContact CE-OG 3.36Å; M207-S210 PolarHBondContact O-N 3.3Å; M207-S210 PolarHBondContact O-OG 3.06Å; R208-S210 VanDerWaalsContact C-N 3.33Å; R208-S210 PolarHBondContact O-N 3.37Å; S210-I213 PolarHBondContact O-N 3.29Å; S210-L214 WeakPolarHBondContact O-CB 3.47Å; S210-L214 PolarHBondContact O-N 3.31Å
211L96.1Very high94.9Very high7 Ų746.6 Ų46.64%0.03724%0.235CC..Hα-helixtrans-67.4-40.2176.7-69.3174.7000111.8V17 L180 V183 M207 R208 R209 L214 Q215V17-L211 HydrophobicContact CG2-CB 4.06Å; L180-L211 HydrophobicContact CD2-CD2 4.07Å; V183-L211 HydrophobicContact CB-CD2 4.37Å; V183-L211 HydrophobicContact CG1-CD2 4.37Å; V183-L211 HydrophobicContact CG2-CD2 3.85Å; M207-L211 HydrophobicContact CE-CD1 4.14Å; M207-L211 HydrophobicContact CE-CD2 3.7Å; M207-L211 HydrophobicContact CE-CG 3.66Å; M207-L211 PolarHBondContact O-N 2.92Å; R208-L211 PolarHBondContact O-N 2.97Å; R209-L211 PolarHBondContact O-N 3.33Å; L211-L214 PolarHBondContact O-N 3.14Å; L211-Q215 VanDerWaalsContact O-CB 3.26Å; L211-Q215 WeakPolarHBondContact O-CB 3.4Å; L211-Q215 PolarHBondContact O-N 3.31Å
212N96.3Very high94.9Very high74 Ų7452.8 Ų52.840%0.39626%0.26SS..Hα-helixtrans-62.2-44.3176.1-76.9-16.5000111.7V17 R208 R209 Q215 S216V17-N212 WeakPolarHBondContact CG2-OD1 3.33Å; R208-N212 PolarHBondContact O-N 3.42Å; R209-N212 PolarHBondContact O-N 3.14Å; N212-Q215 PolarHBondContact O-N 3.35Å; N212-S216 WeakPolarHBondContact O-CB 3.49Å; N212-S216 PolarHBondContact O-N 3.21Å; N212-S216 PolarHBondContact O-OG 3.17Å; N212-S216 VanDerWaalsContact O-OG 3.11Å
213I96.4Very high95Very high10 Ų1056.7 Ų56.75%0.05128%0.276CS..Hα-helixtrans-64.5-45.1177.7-64.9170000110.6I199 L202 R209 S210 S216 T217 V229 T233I199-I213 HydrophobicContact CG1-CG2 3.96Å; L202-I213 HydrophobicContact CB-CD1 4.07Å; R209-I213 HydrophobicContact CG-CD1 3.84Å; R209-I213 HydrophobicContact CG-CG1 4.39Å; R209-I213 VanDerWaalsContact O-CG1 3.29Å; R209-I213 WeakPolarHBondContact O-CG1 3.21Å; R209-I213 PolarHBondContact O-N 3.34Å; S210-I213 PolarHBondContact O-N 3.29Å; I213-S216 PolarHBondContact O-OG 3.33Å; I213-S216 VanDerWaalsContact O-OG 3.11Å; I213-T217 VanDerWaalsContact O-CB 3.27Å; I213-T217 WeakPolarHBondContact O-CB 3.36Å; I213-T217 PolarHBondContact O-N 2.72Å; I213-T217 PolarHBondContact O-OG1 3.25Å; I213-V229 HydrophobicContact CG2-CG1 3.88Å; I213-T233 HydrophobicContact CB-CG2 4.37Å; I213-T233 HydrophobicContact CD1-CG2 4.04Å; I213-T233 HydrophobicContact CG1-CG2 3.77Å; I213-T233 HydrophobicContact CG2-CG2 3.76Å
214L97.1Very high95.2Very high1 Ų156.6 Ų56.61%0.00528%0.276CS..Hα-helixtrans-61.3-45.7178.1-174.772.3000111W16 L180 V183 I184 I189 I191 I199 S210 L211 S218W16-L214 HydrophobicContact CE3-CD2 4.31Å; W16-L214 HydrophobicContact CE3-CG 4.49Å; W16-L214 HydrophobicContact CZ3-CB 4.32Å; W16-L214 HydrophobicContact CZ3-CD2 3.89Å; W16-L214 HydrophobicContact CZ3-CG 3.83Å; L180-L214 HydrophobicContact CD2-CD2 4.17Å; V183-L214 HydrophobicContact CB-CD2 4.48Å; V183-L214 HydrophobicContact CG1-CD2 4.1Å; I184-L214 HydrophobicContact CD1-CD1 4.48Å; I184-L214 HydrophobicContact CG1-CD1 4.21Å; I184-L214 HydrophobicContact CG1-CD2 3.95Å; I189-L214 HydrophobicContact CD1-CD1 4.24Å; I189-L214 HydrophobicContact CD1-CD2 3.95Å; I189-L214 HydrophobicContact CD1-CG 3.98Å; I191-L214 HydrophobicContact CD1-CD1 3.78Å; I199-L214 HydrophobicContact CD1-CB 4.03Å; I199-L214 HydrophobicContact CD1-CD1 3.42Å; I199-L214 VanDerWaalsContact CD1-CD1 3.42Å; I199-L214 HydrophobicContact CD1-CG 4.31Å; S210-L214 WeakPolarHBondContact O-CB 3.47Å; S210-L214 PolarHBondContact O-N 3.31Å; L211-L214 PolarHBondContact O-N 3.14Å; L214-S218 WeakPolarHBondContact O-CB 3.25Å; L214-S218 PolarHBondContact O-N 3.35Å; L214-S218 PolarHBondContact O-OG 3.13Å
215Q96.1Very high95.4Very high34 Ų3451.8 Ų51.816%0.15926%0.258CS..Hα-helixtrans-62.6-51178.3-171.6172.910.500111.3W16 L211 N212 T217 S218 M219W16-Q215 HydrophobicContact CB-CB 4.44Å; W16-Q215 HydrophobicContact CD2-CB 3.64Å; W16-Q215 HydrophobicContact CD2-CG 3.63Å; W16-Q215 HydrophobicContact CE3-CB 3.42Å; W16-Q215 VanDerWaalsContact CE3-CB 3.42Å; W16-Q215 HydrophobicContact CE3-CG 3.93Å; W16-Q215 HydrophobicContact CG-CB 4.11Å; W16-Q215 HydrophobicContact CG-CG 3.94Å; W16-Q215 HydrophobicContact CH2-CB 4.42Å; W16-Q215 HydrophobicContact CH2-CG 4.47Å; W16-Q215 HydrophobicContact CZ2-CG 4.25Å; W16-Q215 HydrophobicContact CZ3-CB 3.85Å; W16-Q215 HydrophobicContact CZ3-CG 4.34Å; L211-Q215 VanDerWaalsContact O-CB 3.26Å; L211-Q215 WeakPolarHBondContact O-CB 3.4Å; L211-Q215 PolarHBondContact O-N 3.31Å; N212-Q215 PolarHBondContact O-N 3.35Å; Q215-T217 VanDerWaalsContact C-N 3.33Å; Q215-T217 PolarHBondContact O-N 3.23Å; Q215-S218 PolarHBondContact O-N 3.07Å; Q215-S218 PolarHBondContact O-OG 3.35Å; Q215-M219 HydrophobicContact CG-SD 3.94Å; Q215-M219 WeakPolarHBondContact O-CB 3.28Å; Q215-M219 VanDerWaalsContact O-CG 3.24Å; Q215-M219 WeakPolarHBondContact O-CG 3.45Å; Q215-M219 PolarHBondContact O-N 3.28Å
216S95.4Very high95.4Very high49 Ų4954.6 Ų54.634%0.34327%0.269SS..Hα-helixtrans-63.4-40.8-178.365.80000111.9N212 I213 M219 A220 C232N212-S216 WeakPolarHBondContact O-CB 3.49Å; N212-S216 PolarHBondContact O-N 3.21Å; N212-S216 PolarHBondContact O-OG 3.17Å; N212-S216 VanDerWaalsContact O-OG 3.11Å; I213-S216 PolarHBondContact O-OG 3.33Å; I213-S216 VanDerWaalsContact O-OG 3.11Å; S216-M219 PolarHBondContact O-N 3Å; S216-A220 VanDerWaalsContact O-CB 3.31Å; S216-A220 WeakPolarHBondContact O-CB 3.46Å; S216-A220 PolarHBondContact O-N 3.01Å; S216-C232 PolarHBondContact OG-SG 3.21Å
217T96.1Very high95.3Very high0 Ų058.5 Ų58.50%029%0.286CS..Hα-helixtrans-70-43.5-177.9-50.10000111.5I213 Q215 M219 A220 Y221 V224 V229 C232I213-T217 VanDerWaalsContact O-CB 3.27Å; I213-T217 WeakPolarHBondContact O-CB 3.36Å; I213-T217 PolarHBondContact O-N 2.72Å; I213-T217 PolarHBondContact O-OG1 3.25Å; Q215-T217 VanDerWaalsContact C-N 3.33Å; Q215-T217 PolarHBondContact O-N 3.23Å; T217-M219 VanDerWaalsContact C-N 3.3Å; T217-M219 PolarHBondContact O-N 3.49Å; T217-A220 PolarHBondContact O-N 3.14Å; T217-Y221 HydrophobicContact CG2-CD2 4.06Å; T217-Y221 PolarHBondContact O-N 2.96Å; T217-V224 HydrophobicContact CG2-CG1 4.03Å; T217-V224 HydrophobicContact CG2-CG2 4.23Å; T217-V229 HydrophobicContact CG2-CG2 3.98Å; T217-C232 HydrophobicContact CG2-CB 4.35Å
218S95.7Very high95.3Very high29 Ų2957.9 Ų57.920%0.20328%0.284CS..Hα-helixtrans-68.1-27.4177.558.40000113.5W16 L214 Q215 Y221W16-S218 WeakPolarHBondContact CH2-OG 3.49Å; L214-S218 WeakPolarHBondContact O-CB 3.25Å; L214-S218 PolarHBondContact O-N 3.35Å; L214-S218 PolarHBondContact O-OG 3.13Å; Q215-S218 PolarHBondContact O-N 3.07Å; Q215-S218 PolarHBondContact O-OG 3.35Å; S218-Y221 VanDerWaalsContact O-O 3.07Å
219M93.1Very high95.3Very high146 Ų14652.8 Ų52.872%0.71927%0.265SS*.Hα-helixtrans-78.1-28.7173.1-70.7-178.87000112.8Q215 S216 T217Q215-M219 HydrophobicContact CG-SD 3.94Å; Q215-M219 WeakPolarHBondContact O-CB 3.28Å; Q215-M219 VanDerWaalsContact O-CG 3.24Å; Q215-M219 WeakPolarHBondContact O-CG 3.45Å; Q215-M219 PolarHBondContact O-N 3.28Å; S216-M219 PolarHBondContact O-N 3Å; T217-M219 VanDerWaalsContact C-N 3.3Å; T217-M219 PolarHBondContact O-N 3.49Å
220A93.6Very high95.1Very high62 Ų6248.3 Ų48.351%0.51225%0.248SC..Hα-helixtrans-87.1-27.8-178.500000113.4S216 T217S216-A220 VanDerWaalsContact O-CB 3.31Å; S216-A220 WeakPolarHBondContact O-CB 3.46Å; S216-A220 PolarHBondContact O-N 3.01Å; T217-A220 PolarHBondContact O-N 3.14Å
221Y94.7Very high94.8Very high87 Ų8751.5 Ų51.534%0.34127%0.268SS..  trans-136.9145.8-174.2-56.7-83.6000110.9T217 S218 K223 T228 T231 C232T217-Y221 HydrophobicContact CG2-CD2 4.06Å; T217-Y221 PolarHBondContact O-N 2.96Å; S218-Y221 VanDerWaalsContact O-O 3.07Å; Y221-K223 VanDerWaalsContact C-N 3.27Å; Y221-K223 PolarHBondContact O-N 2.97Å; Y221-T228 HydrophobicContact CD1-CG2 3.76Å; Y221-T228 HydrophobicContact CD2-CG2 4.02Å; Y221-T228 HydrophobicContact CE1-CG2 4.19Å; Y221-T228 HydrophobicContact CE2-CG2 4.44Å; Y221-T228 HydrophobicContact CG-CG2 3.66Å; Y221-T231 WeakPolarHBondContact OH-CG2 3.39Å; Y221-C232 HydrophobicContact CE2-CB 4.16Å
222E91.6Very high94.5Very high200 Ų20053.1 Ų53.194%0.93528%0.279SS*.SBendtrans-63.8-32.4177.3-65.3-17817100112.9
223K95.5Very high94.1Very high88 Ų8852 Ų5238%0.38328%0.275SS..EExtended strand (participates in β ladder)trans-129.5133.4-177.7-173.6172.1-166115.50111.7D190 T192 Y221 T225 T228D190-K223 HydrophobicContact CB-CG 4.41Å; D190-K223 VanDerWaalsContact CG-NZ 3.25Å; D190-K223 WeakPolarHBondContact OD1-CE 3.35Å; D190-K223 IonicContact OD1-NZ 2.84Å; D190-K223 PolarHBondContact OD1-NZ 2.77Å; D190-K223 WeakPolarHBondContact OD2-CD 3.48Å; D190-K223 WeakPolarHBondContact OD2-CE 3.11Å; D190-K223 IonicContact OD2-NZ 2.64Å; D190-K223 PolarHBondContact OD2-NZ 3.06Å; T192-K223 HydrophobicContact CG2-CD 4.35Å; Y221-K223 VanDerWaalsContact C-N 3.27Å; Y221-K223 PolarHBondContact O-N 2.97Å; K223-T225 HydrophobicContact CD-CG2 4.37Å; K223-T225 HydrophobicContact CG-CG2 4.15Å; K223-T228 PolarHBondContact O-OG1 2.61Å
224V96.9Very high93.7Very high0 Ų052.8 Ų52.80%029%0.285CS..EExtended strand (participates in β ladder)trans-91.1107.6178.8-175.40000110.1I189 D190 I191 T192 I199 T217 V229I189-V224 HydrophobicContact CG2-CG2 3.75Å; D190-V224 PolarHBondContact O-N 2.86Å; I191-V224 WeakPolarHBondContact CA-O 3.37Å; I191-V224 HydrophobicContact CB-CB 3.94Å; I191-V224 HydrophobicContact CB-CG1 4.47Å; I191-V224 HydrophobicContact CD1-CB 4.11Å; I191-V224 HydrophobicContact CD1-CG1 3.69Å; I191-V224 HydrophobicContact CG1-CB 3.79Å; I191-V224 HydrophobicContact CG1-CG1 3.81Å; T192-V224 PolarHBondContact N-O 2.91Å; T192-V224 PolarHBondContact OG1-O 2.85Å; I199-V224 HydrophobicContact CD1-CG1 4.05Å; T217-V224 HydrophobicContact CG2-CG1 4.03Å; T217-V224 HydrophobicContact CG2-CG2 4.23Å; V224-V229 HydrophobicContact CG1-CG2 3.62Å
225T96.6Very high93.3Very high34 Ų3453.5 Ų53.521%0.20929%0.289CS..  trans-118.3166.5176.564.20000111.4T192 K223 H227 T228 V229T192-T225 HydrophobicContact CG2-CG2 4.03Å; T192-T225 WeakPolarHBondContact OG1-CA 3.29Å; K223-T225 HydrophobicContact CD-CG2 4.37Å; K223-T225 HydrophobicContact CG-CG2 4.15Å; T225-H227 VanDerWaalsContact C-N 3.27Å; T225-H227 PolarHBondContact O-N 3.3Å; T225-T228 PolarHBondContact N-OG1 3.45Å; T225-T228 PolarHBondContact O-N 3.35Å; T225-T228 PolarHBondContact O-OG1 3.47Å; T225-T228 WeakPolarHBondContact OG1-CG2 3.35Å; T225-T228 PolarHBondContact OG1-N 2.86Å; T225-T228 PolarHBondContact OG1-OG1 3.01Å; T225-T228 VanDerWaalsContact OG1-OG1 3.08Å; T225-V229 WeakPolarHBondContact O-CB 3.42Å; T225-V229 VanDerWaalsContact O-CG2 3.23Å; T225-V229 WeakPolarHBondContact O-CG2 3.31Å; T225-V229 PolarHBondContact O-N 3.28Å
226E94.4Very high93Very high65 Ų6552 Ų5230%0.30428%0.282SS..Hα-helixtrans-51.6-50172.3178.8175.3-144.100110.8D194 A198 T228 V229 Y230D194-E226 HydrophobicContact CB-CB 4.12Å; D194-E226 WeakPolarHBondContact OD2-CB 3.44Å; D194-E226 PolarHBondContact OD2-N 3.19Å; A198-E226 HydrophobicContact CB-CB 4.29Å; A198-E226 HydrophobicContact CB-CG 4.09Å; E226-T228 PolarHBondContact O-N 3.47Å; E226-V229 PolarHBondContact O-N 3.24Å; E226-Y230 HydrophobicContact CG-CD2 3.76Å; E226-Y230 HydrophobicContact CG-CE2 3.78Å; E226-Y230 WeakPolarHBondContact O-CD2 3.41Å; E226-Y230 PolarHBondContact O-N 2.89Å
227H92.8Very high92.7Very high108 Ų10850.8 Ų50.850%0.527%0.271SS..Hα-helixtrans-56.5-52.6-179.6179.9-85.4000112.3T225 V229 Y230 T231T225-H227 VanDerWaalsContact C-N 3.27Å; T225-H227 PolarHBondContact O-N 3.3Å; H227-V229 VanDerWaalsContact C-N 3.26Å; H227-V229 PolarHBondContact O-N 3.34Å; H227-Y230 PolarHBondContact O-N 3.26Å; H227-T231 PolarHBondContact CE1-OG1 2.92Å; H227-T231 WeakPolarHBondContact O-CB 3.47Å; H227-T231 PolarHBondContact O-N 3.3Å; H227-T231 PolarHBondContact O-OG1 2.98Å
228T94.7Very high92.3Very high14 Ų1458.4 Ų58.49%0.08630%0.3CS..Hα-helixtrans-62.4-34-178.552.70000112.4Y221 K223 T225 E226 C232Y221-T228 HydrophobicContact CD1-CG2 3.76Å; Y221-T228 HydrophobicContact CD2-CG2 4.02Å; Y221-T228 HydrophobicContact CE1-CG2 4.19Å; Y221-T228 HydrophobicContact CE2-CG2 4.44Å; Y221-T228 HydrophobicContact CG-CG2 3.66Å; K223-T228 PolarHBondContact O-OG1 2.61Å; T225-T228 PolarHBondContact N-OG1 3.45Å; T225-T228 PolarHBondContact O-N 3.35Å; T225-T228 PolarHBondContact O-OG1 3.47Å; T225-T228 WeakPolarHBondContact OG1-CG2 3.35Å; T225-T228 PolarHBondContact OG1-N 2.86Å; T225-T228 PolarHBondContact OG1-OG1 3.01Å; T225-T228 VanDerWaalsContact OG1-OG1 3.08Å; E226-T228 PolarHBondContact O-N 3.47Å; T228-C232 WeakPolarHBondContact O-CB 3.45Å; T228-C232 PolarHBondContact O-N 3Å
229V95.4Very high92Very high0 Ų060.1 Ų60.10%031%0.312CS..Hα-helixtrans-67-48.6177.7167.90000110.8A198 I199 L202 I213 T217 V224 T225 E226 H227 C232 T233A198-V229 HydrophobicContact CB-CB 4.15Å; A198-V229 HydrophobicContact CB-CG1 3.89Å; I199-V229 HydrophobicContact CD1-CG2 4.16Å; I199-V229 HydrophobicContact CG1-CG1 3.93Å; I199-V229 HydrophobicContact CG1-CG2 3.74Å; L202-V229 HydrophobicContact CD1-CG1 3.72Å; I213-V229 HydrophobicContact CG2-CG1 3.88Å; T217-V229 HydrophobicContact CG2-CG2 3.98Å; V224-V229 HydrophobicContact CG1-CG2 3.62Å; T225-V229 WeakPolarHBondContact O-CB 3.42Å; T225-V229 VanDerWaalsContact O-CG2 3.23Å; T225-V229 WeakPolarHBondContact O-CG2 3.31Å; T225-V229 PolarHBondContact O-N 3.28Å; E226-V229 PolarHBondContact O-N 3.24Å; H227-V229 VanDerWaalsContact C-N 3.26Å; H227-V229 PolarHBondContact O-N 3.34Å; V229-C232 PolarHBondContact O-N 3.34Å; V229-T233 WeakPolarHBondContact O-CG2 3.47Å; V229-T233 PolarHBondContact O-N 3.16Å; V229-T233 VanDerWaalsContact O-N 3.09Å; V229-T233 PolarHBondContact O-OG1 3.28Å
230Y92.1Very high92Very high7 Ų753.5 Ų53.53%0.02728%0.28CS..Hα-helixtrans-65.1-42.6177.9-85.5-89.5000111.7A198 L202 E226 H227 T233 G234 H235 P236 L237A198-Y230 HydrophobicContact CB-CD2 4.23Å; A198-Y230 HydrophobicContact CB-CE2 3.88Å; L202-Y230 HydrophobicContact CD1-CD1 4.28Å; L202-Y230 HydrophobicContact CD1-CD2 4.49Å; L202-Y230 HydrophobicContact CD1-CE1 4.29Å; L202-Y230 HydrophobicContact CD1-CE2 4.5Å; L202-Y230 HydrophobicContact CD1-CG 4.39Å; L202-Y230 HydrophobicContact CD2-CD1 4.35Å; L202-Y230 HydrophobicContact CD2-CE1 3.75Å; L202-Y230 HydrophobicContact CG-CE1 4.31Å; E226-Y230 HydrophobicContact CG-CD2 3.76Å; E226-Y230 HydrophobicContact CG-CE2 3.78Å; E226-Y230 WeakPolarHBondContact O-CD2 3.41Å; E226-Y230 PolarHBondContact O-N 2.89Å; H227-Y230 PolarHBondContact O-N 3.26Å; Y230-T233 PolarHBondContact O-N 2.73Å; Y230-T233 PolarHBondContact O-OG1 3.31Å; Y230-T233 VanDerWaalsContact O-OG1 3.13Å; Y230-G234 PolarHBondContact O-N 3.07Å; Y230-G234 VanDerWaalsContact O-N 3.14Å; Y230-H235 HydrophobicContact CD1-CB 3.96Å; Y230-H235 AromaticContact CD1-ND1 3.99Å; Y230-H235 HydrophobicContact CE1-CB 4.49Å; Y230-H235 AromaticContact CE1-ND1 3.75Å; Y230-H235 PolarHBondContact O-N 2.67Å; Y230-P236 WeakPolarHBondContact CD1-O 3.47Å; Y230-P236 VanDerWaalsContact CE1-O 3.31Å; Y230-P236 WeakPolarHBondContact CE1-O 3.35Å; Y230-L237 VanDerWaalsContact CB-CD2 3.46Å; Y230-L237 HydrophobicContact CD1-CD2 4.4Å; Y230-L237 HydrophobicContact CD2-CD2 4Å; Y230-L237 HydrophobicContact CG-CD2 3.72Å
231T89.3Confident92Very high67 Ų6750.7 Ų50.741%0.41126%0.256SS..Hα-helixtrans-63.4-44.2175.6-54.20000112.1Y221 H227 T233 G234Y221-T231 WeakPolarHBondContact OH-CG2 3.39Å; H227-T231 PolarHBondContact CE1-OG1 2.92Å; H227-T231 WeakPolarHBondContact O-CB 3.47Å; H227-T231 PolarHBondContact O-N 3.3Å; H227-T231 PolarHBondContact O-OG1 2.98Å; T231-T233 VanDerWaalsContact C-N 3.27Å; T231-T233 PolarHBondContact O-N 3.12Å; T231-G234 PolarHBondContact O-N 3.47Å
232C89.8Confident91.8Very high41 Ų4148.8 Ų48.828%0.27726%0.258SS..Hα-helixtrans-63.3-33.3179.1-173.10000112.6S216 T217 Y221 T228 V229S216-C232 PolarHBondContact OG-SG 3.21Å; T217-C232 HydrophobicContact CG2-CB 4.35Å; Y221-C232 HydrophobicContact CE2-CB 4.16Å; T228-C232 WeakPolarHBondContact O-CB 3.45Å; T228-C232 PolarHBondContact O-N 3Å; V229-C232 PolarHBondContact O-N 3.34Å
233T89.4Confident92Very high49 Ų4942.7 Ų42.730%0.30123%0.232SC..Hα-helixtrans-87.9-5-179.353.60000113.5L202 I213 V229 Y230 T231 H235L202-T233 HydrophobicContact CD1-CG2 4.29Å; I213-T233 HydrophobicContact CB-CG2 4.37Å; I213-T233 HydrophobicContact CD1-CG2 4.04Å; I213-T233 HydrophobicContact CG1-CG2 3.77Å; I213-T233 HydrophobicContact CG2-CG2 3.76Å; V229-T233 WeakPolarHBondContact O-CG2 3.47Å; V229-T233 PolarHBondContact O-N 3.16Å; V229-T233 VanDerWaalsContact O-N 3.09Å; V229-T233 PolarHBondContact O-OG1 3.28Å; Y230-T233 PolarHBondContact O-N 2.73Å; Y230-T233 PolarHBondContact O-OG1 3.31Å; Y230-T233 VanDerWaalsContact O-OG1 3.13Å; T231-T233 VanDerWaalsContact C-N 3.27Å; T231-T233 PolarHBondContact O-N 3.12Å; T233-H235 PolarHBondContact O-N 2.82Å
234G86.6Confident91.9Very high27 Ų2738.5 Ų38.528%0.27821%0.214SC..THydrogen-bonded Turntrans64.718.6-174.100000113.3Y230 T231 L269Y230-G234 PolarHBondContact O-N 3.07Å; Y230-G234 VanDerWaalsContact O-N 3.14Å; T231-G234 PolarHBondContact O-N 3.47Å; G234-L269 WeakPolarHBondContact O-CD2 3.22Å
235H88.8Confident91.7Very high16 Ų1639.3 Ų39.37%0.07422%0.218CC..PPolyproline II helixtrans-92.3139.4-176.4-155.8-80.4000110L202 Y230 T233 E277L202-H235 HydrophobicContact CD2-CB 4.18Å; Y230-H235 HydrophobicContact CD1-CB 3.96Å; Y230-H235 AromaticContact CD1-ND1 3.99Å; Y230-H235 HydrophobicContact CE1-CB 4.49Å; Y230-H235 AromaticContact CE1-ND1 3.75Å; Y230-H235 PolarHBondContact O-N 2.67Å; T233-H235 PolarHBondContact O-N 2.82Å; H235-E277 IonicContact CE1-OE1 2.68Å; H235-E277 PolarHBondContact CE1-OE1 3.4Å; H235-E277 IonicContact NE2-OE1 2.92Å
236P89.9Confident91.5Very high2 Ų241 Ų411%0.01323%0.226CC..PPolyproline II helixtrans-63.7140.7179.823.9-34.4000112Y230 D240 I241 L269 D273 E277Y230-P236 WeakPolarHBondContact CD1-O 3.47Å; Y230-P236 VanDerWaalsContact CE1-O 3.31Å; Y230-P236 WeakPolarHBondContact CE1-O 3.35Å; P236-D240 HydrophobicContact CB-CB 4.49Å; P236-I241 HydrophobicContact CB-CD1 3.54Å; P236-I241 HydrophobicContact CB-CG1 3.87Å; P236-I241 HydrophobicContact CG-CD1 3.62Å; P236-I241 HydrophobicContact CG-CG1 4.11Å; P236-L269 HydrophobicContact CB-CD1 4.02Å; P236-L269 HydrophobicContact CB-CD2 4.15Å; P236-D273 HydrophobicContact CG-CB 4.32Å; P236-E277 HydrophobicContact CG-CG 4.17Å
237L90.1Very high91.5Very high24 Ų2439.7 Ų39.713%0.12622%0.218CC..PPolyproline II helixtrans-71.3157.3171.6-67165.3000110.5Y230 S239 D240 I241Y230-L237 VanDerWaalsContact CB-CD2 3.46Å; Y230-L237 HydrophobicContact CD1-CD2 4.4Å; Y230-L237 HydrophobicContact CD2-CD2 4Å; Y230-L237 HydrophobicContact CG-CD2 3.72Å; L237-S239 PolarHBondContact O-N 3.03Å; L237-D240 HydrophobicContact CB-CB 4.4Å; L237-D240 WeakPolarHBondContact CB-OD2 3.31Å; L237-D240 PolarHBondContact N-OD2 3.19Å; L237-D240 WeakPolarHBondContact O-CB 3.31Å; L237-D240 PolarHBondContact O-N 3.1Å; L237-I241 PolarHBondContact O-N 3.03Å; L237-I241 VanDerWaalsContact O-N 3.12Å
238R86.9Confident91.6Very high160 Ų16034.6 Ų34.660%0.60420%0.195SC*.Hα-helixtrans-57.4-38.2174.9-65.5-180-178.8178.33.4112.6D240 I241 A242R238-D240 VanDerWaalsContact C-N 3.33Å; R238-I241 PolarHBondContact O-N 3.18Å; R238-A242 WeakPolarHBondContact O-CB 3.25Å; R238-A242 PolarHBondContact O-N 2.98Å
239S90.7Very high91.3Very high66 Ų6635.4 Ų35.446%0.46220%0.199SC..Hα-helixtrans-64.6-36.3175.455.90000112.5L237 A242 N243L237-S239 PolarHBondContact O-N 3.03Å; S239-A242 PolarHBondContact O-N 2.92Å; S239-N243 WeakPolarHBondContact O-CB 3.43Å; S239-N243 PolarHBondContact O-N 3.02Å; S239-N243 PolarHBondContact O-ND2 3.39Å
240D92.3Very high91.1Very high7 Ų740.4 Ų40.44%0.03723%0.225CC..Hα-helixtrans-66.7-45.2178.9-65.6-29000110.6P236 L237 R238 N243 I244 L263 K267P236-D240 HydrophobicContact CB-CB 4.49Å; L237-D240 HydrophobicContact CB-CB 4.4Å; L237-D240 WeakPolarHBondContact CB-OD2 3.31Å; L237-D240 PolarHBondContact N-OD2 3.19Å; L237-D240 WeakPolarHBondContact O-CB 3.31Å; L237-D240 PolarHBondContact O-N 3.1Å; R238-D240 VanDerWaalsContact C-N 3.33Å; D240-N243 PolarHBondContact O-N 3.48Å; D240-I244 VanDerWaalsContact O-CG1 3.27Å; D240-I244 WeakPolarHBondContact O-CG1 3.41Å; D240-I244 PolarHBondContact O-N 3.02Å; D240-L263 HydrophobicContact CB-CD2 4.03Å; D240-K267 IonicContact OD1-NZ 3.34Å; D240-K267 PolarHBondContact OD1-NZ 2.94Å; D240-K267 WeakPolarHBondContact OD2-CD 3.35Å; D240-K267 IonicContact OD2-NZ 3.92Å; D240-K267 PolarHBondContact OD2-NZ 3.12Å
241I93.3Very high91.2Very high2 Ų243 Ų431%0.0124%0.237CC..Hα-helixtrans-66.5-39.6177.7-58.9-60.1000111.4P236 L237 R238 N243 I244 L245 I274 E277 V278 L281P236-I241 HydrophobicContact CB-CD1 3.54Å; P236-I241 HydrophobicContact CB-CG1 3.87Å; P236-I241 HydrophobicContact CG-CD1 3.62Å; P236-I241 HydrophobicContact CG-CG1 4.11Å; L237-I241 PolarHBondContact O-N 3.03Å; L237-I241 VanDerWaalsContact O-N 3.12Å; R238-I241 PolarHBondContact O-N 3.18Å; I241-N243 VanDerWaalsContact C-N 3.35Å; I241-I244 HydrophobicContact CD1-CD1 4.31Å; I241-I244 PolarHBondContact O-N 3.26Å; I241-L245 WeakPolarHBondContact O-CB 3.43Å; I241-L245 PolarHBondContact O-N 3.17Å; I241-I274 HydrophobicContact CD1-CB 4.48Å; I241-I274 HydrophobicContact CD1-CG1 4.47Å; I241-I274 HydrophobicContact CD1-CG2 4.35Å; I241-E277 HydrophobicContact CB-CB 4.45Å; I241-E277 HydrophobicContact CD1-CB 3.73Å; I241-E277 HydrophobicContact CD1-CG 4.47Å; I241-E277 HydrophobicContact CG1-CB 3.63Å; I241-E277 HydrophobicContact CG1-CG 4.32Å; I241-E277 HydrophobicContact CG2-CB 4.05Å; I241-V278 HydrophobicContact CG2-CG2 3.93Å; I241-L281 HydrophobicContact CB-CD1 4.39Å; I241-L281 HydrophobicContact CG2-CD1 3.57Å; I241-L281 HydrophobicContact CG2-CG 4.11Å
242A91.7Very high91.5Very high47 Ų4743.6 Ų43.639%0.38824%0.237SC..Hα-helixtrans-61-44174.700000111.7R238 S239 L245 D246R238-A242 WeakPolarHBondContact O-CB 3.25Å; R238-A242 PolarHBondContact O-N 2.98Å; S239-A242 PolarHBondContact O-N 2.92Å; A242-L245 PolarHBondContact O-N 3.2Å; A242-D246 WeakPolarHBondContact O-CB 3.47Å; A242-D246 PolarHBondContact O-N 3.32Å
243N94Very high91.8Very high72 Ų7245.6 Ų45.639%0.38524%0.242SC..Hα-helixtrans-62.7-44.2175.2-72.3-24.1000112S239 D240 I241 L245 D246 W247S239-N243 WeakPolarHBondContact O-CB 3.43Å; S239-N243 PolarHBondContact O-N 3.02Å; S239-N243 PolarHBondContact O-ND2 3.39Å; D240-N243 PolarHBondContact O-N 3.48Å; I241-N243 VanDerWaalsContact C-N 3.35Å; N243-L245 VanDerWaalsContact C-N 3.33Å; N243-L245 PolarHBondContact O-N 3Å; N243-D246 PolarHBondContact O-N 3.13Å; N243-W247 HydrophobicContact CB-CH2 4.04Å; N243-W247 HydrophobicContact CB-CZ2 3.73Å; N243-W247 VanDerWaalsContact O-CD1 3.28Å; N243-W247 PolarHBondContact O-N 3.48Å
244I94.9Very high92.1Very high1 Ų146.9 Ų46.91%0.00525%0.249CC..Hα-helixtrans-59-46.2177-71.4167.5000110.6D240 I241 W247 C248 V260 L263 I274 V278 M319D240-I244 VanDerWaalsContact O-CG1 3.27Å; D240-I244 WeakPolarHBondContact O-CG1 3.41Å; D240-I244 PolarHBondContact O-N 3.02Å; I241-I244 HydrophobicContact CD1-CD1 4.31Å; I241-I244 PolarHBondContact O-N 3.26Å; I244-W247 HydrophobicContact CG1-CE3 4.45Å; I244-W247 HydrophobicContact CG1-CZ3 4.35Å; I244-W247 PolarHBondContact O-N 3.27Å; I244-C248 WeakPolarHBondContact O-CB 3.44Å; I244-C248 PolarHBondContact O-N 3.37Å; I244-C248 PolarHBondContact O-SG 3.42Å; I244-C248 VanDerWaalsContact O-SG 3.33Å; I244-V260 HydrophobicContact CB-CG2 4.44Å; I244-V260 HydrophobicContact CD1-CG1 4.32Å; I244-V260 HydrophobicContact CG1-CG1 4.26Å; I244-V260 HydrophobicContact CG1-CG2 4.18Å; I244-V260 HydrophobicContact CG2-CG1 4.39Å; I244-V260 HydrophobicContact CG2-CG2 3.97Å; I244-L263 HydrophobicContact CD1-CD2 3.98Å; I244-L263 HydrophobicContact CG1-CD2 3.9Å; I244-I274 HydrophobicContact CD1-CD1 4.01Å; I244-I274 HydrophobicContact CD1-CG1 4.09Å; I244-I274 HydrophobicContact CD1-CG2 3.76Å; I244-I274 HydrophobicContact CG2-CG2 4.17Å; I244-V278 HydrophobicContact CG2-CG2 4.18Å; I244-M319 HydrophobicContact CG2-CE 4.18Å
245L92.4Very high92.6Very high17 Ų1747.8 Ų47.89%0.08925%0.251CS..Hα-helixtrans-63.5-44.5179.2-175.363.9000111.7I241 A242 N243 C248 L249 L281 V285 F323I241-L245 WeakPolarHBondContact O-CB 3.43Å; I241-L245 PolarHBondContact O-N 3.17Å; A242-L245 PolarHBondContact O-N 3.2Å; N243-L245 VanDerWaalsContact C-N 3.33Å; N243-L245 PolarHBondContact O-N 3Å; L245-C248 PolarHBondContact O-N 2.92Å; L245-L249 HydrophobicContact CD1-CD1 3.88Å; L245-L249 HydrophobicContact CD1-CG 4.3Å; L245-L249 HydrophobicContact CG-CD1 3.91Å; L245-L249 WeakPolarHBondContact O-CB 3.37Å; L245-L249 WeakPolarHBondContact O-CG 3.43Å; L245-L249 PolarHBondContact O-N 3.41Å; L245-L281 HydrophobicContact CD2-CB 3.93Å; L245-L281 HydrophobicContact CD2-CD1 4.19Å; L245-V285 HydrophobicContact CD2-CG2 3.88Å; L245-F323 HydrophobicContact CD1-CD1 4.37Å; L245-F323 HydrophobicContact CD1-CE1 3.54Å; L245-F323 HydrophobicContact CD1-CZ 3.97Å
246D92.2Very high92.9Very high70 Ų7047 Ų4737%0.37425%0.248SC..Hα-helixtrans-57.2-49.2174.5174.771000111.6A242 N243 C248 L249 N250A242-D246 WeakPolarHBondContact O-CB 3.47Å; A242-D246 PolarHBondContact O-N 3.32Å; N243-D246 PolarHBondContact O-N 3.13Å; D246-C248 VanDerWaalsContact C-N 3.34Å; D246-C248 PolarHBondContact O-N 3.2Å; D246-L249 PolarHBondContact O-N 3.34Å; D246-N250 VanDerWaalsContact O-CB 3.31Å; D246-N250 WeakPolarHBondContact O-CB 3.27Å; D246-N250 PolarHBondContact O-N 3.12Å; D246-N250 PolarHBondContact O-ND2 2.84Å; D246-N250 PolarHBondContact OD1-ND2 3.44Å
247W95.2Very high93.3Very high37 Ų3749 Ų4914%0.1426%0.255CS..Hα-helixtrans-63.2-41.9179.6-58.1-17000111.9N243 I244 L249 K251 A256 Q259 V260 L263N243-W247 HydrophobicContact CB-CH2 4.04Å; N243-W247 HydrophobicContact CB-CZ2 3.73Å; N243-W247 VanDerWaalsContact O-CD1 3.28Å; N243-W247 PolarHBondContact O-N 3.48Å; I244-W247 HydrophobicContact CG1-CE3 4.45Å; I244-W247 HydrophobicContact CG1-CZ3 4.35Å; I244-W247 PolarHBondContact O-N 3.27Å; W247-L249 VanDerWaalsContact C-N 3.31Å; W247-L249 PolarHBondContact O-N 3.47Å; W247-K251 HydrophobicContact CB-CD 4.2Å; W247-K251 VanDerWaalsContact CD1-CE 3.48Å; W247-K251 HydrophobicContact CG-CD 4.17Å; W247-K251 WeakPolarHBondContact O-CB 3.49Å; W247-K251 PolarHBondContact O-N 2.98Å; W247-K251 VanDerWaalsContact O-N 3.11Å; W247-A256 HydrophobicContact CB-CB 4.38Å; W247-A256 WeakPolarHBondContact O-CB 3.47Å; W247-Q259 HydrophobicContact CD2-CB 3.81Å; W247-Q259 VanDerWaalsContact CD2-OE1 3.24Å; W247-Q259 VanDerWaalsContact CE2-OE1 3.31Å; W247-Q259 HydrophobicContact CE3-CB 3.48Å; W247-Q259 VanDerWaalsContact CE3-CB 3.48Å; W247-Q259 VanDerWaalsContact CG-OE1 3.23Å; W247-Q259 HydrophobicContact CH2-CB 4.17Å; W247-Q259 HydrophobicContact CZ2-CB 4.46Å; W247-Q259 HydrophobicContact CZ3-CB 3.69Å; W247-Q259 WeakPolarHBondContact CZ3-O 3.44Å; W247-V260 HydrophobicContact CE3-CG2 4.07Å; W247-L263 HydrophobicContact CH2-CB 4.44Å; W247-L263 HydrophobicContact CH2-CD2 4.02Å; W247-L263 HydrophobicContact CZ3-CB 4.23Å; W247-L263 HydrophobicContact CZ3-CD2 3.9Å
248C93.4Very high93.6Very high0 Ų054.2 Ų54.20%028%0.277CS..Hα-helixtrans-64.3-33.5178.1-78.20000113.1I244 L245 D246 F323 Q324I244-C248 WeakPolarHBondContact O-CB 3.44Å; I244-C248 PolarHBondContact O-N 3.37Å; I244-C248 PolarHBondContact O-SG 3.42Å; I244-C248 VanDerWaalsContact O-SG 3.33Å; L245-C248 PolarHBondContact O-N 2.92Å; D246-C248 VanDerWaalsContact C-N 3.34Å; D246-C248 PolarHBondContact O-N 3.2Å; C248-F323 HydrophobicContact CB-CB 3.77Å; C248-F323 HydrophobicContact CB-CD1 4.2Å; C248-F323 HydrophobicContact CB-CD2 3.91Å; C248-F323 HydrophobicContact CB-CG 3.7Å; C248-Q324 PolarHBondContact O-NE2 2.98Å; C248-Q324 VanDerWaalsContact O-NE2 3.17Å
249L89.9Confident94.1Very high32 Ų3249.2 Ų49.217%0.16826%0.261CS..Hα-helixtrans-89.2-33.4-178.2-70.1173.3000113.8L245 D246 W247 F287 F323 R327L245-L249 HydrophobicContact CD1-CD1 3.88Å; L245-L249 HydrophobicContact CD1-CG 4.3Å; L245-L249 HydrophobicContact CG-CD1 3.91Å; L245-L249 WeakPolarHBondContact O-CB 3.37Å; L245-L249 WeakPolarHBondContact O-CG 3.43Å; L245-L249 PolarHBondContact O-N 3.41Å; D246-L249 PolarHBondContact O-N 3.34Å; W247-L249 VanDerWaalsContact C-N 3.31Å; W247-L249 PolarHBondContact O-N 3.47Å; L249-F287 HydrophobicContact CD1-CZ 4.21Å; L249-F287 HydrophobicContact CD2-CE1 4.08Å; L249-F287 HydrophobicContact CD2-CZ 3.81Å; L249-F323 HydrophobicContact CD2-CD1 3.79Å; L249-F323 HydrophobicContact CD2-CE1 4.47Å; L249-F323 HydrophobicContact CG-CD1 4.24Å; L249-R327 WeakPolarHBondContact O-CD 3.06Å
250N90.5Very high94.3Very high105 Ų10546.1 Ų46.156%0.56124%0.239SC*.Hα-helixtrans-110.7-24.6-167.1-64.4-42.5000114.3D246D246-N250 VanDerWaalsContact O-CB 3.31Å; D246-N250 WeakPolarHBondContact O-CB 3.27Å; D246-N250 PolarHBondContact O-N 3.12Å; D246-N250 PolarHBondContact O-ND2 2.84Å; D246-N250 PolarHBondContact OD1-ND2 3.44Å
251K94.4Very high94.5Very high62 Ų6247.9 Ų47.927%0.2725%0.248SC..SBendtrans-94.5168.2-178-60.4-173.2179.4179.60112.2W247 A256 Q259 Q324 R327W247-K251 HydrophobicContact CB-CD 4.2Å; W247-K251 VanDerWaalsContact CD1-CE 3.48Å; W247-K251 HydrophobicContact CG-CD 4.17Å; W247-K251 WeakPolarHBondContact O-CB 3.49Å; W247-K251 PolarHBondContact O-N 2.98Å; W247-K251 VanDerWaalsContact O-N 3.11Å; K251-A256 HydrophobicContact CB-CB 4.38Å; K251-Q259 VanDerWaalsContact NZ-CD 3.31Å; K251-Q259 VanDerWaalsContact NZ-NE2 3.14Å; K251-Q324 PolarHBondContact O-NE2 3.14Å; K251-R327 PolarHBondContact O-NH1 3.47Å
252D94.9Very high94.6Very high79 Ų7953.9 Ų53.942%0.42228%0.276SS..  trans-70.9160.6168.169.492.2000111.2T254 S255 A256D252-T254 VanDerWaalsContact C-N 3.32Å; D252-T254 PolarHBondContact O-N 3.15Å; D252-T254 WeakPolarHBondContact OD1-CB 3Å; D252-T254 PolarHBondContact OD1-N 2.92Å; D252-S255 PolarHBondContact O-N 2.93Å; D252-S255 PolarHBondContact OD1-N 2.86Å; D252-S255 PolarHBondContact OD1-OG 3.32Å; D252-S255 WeakPolarHBondContact OD2-CB 3.17Å; D252-S255 PolarHBondContact OD2-OG 3.2Å; D252-A256 WeakPolarHBondContact O-CB 3.11Å; D252-A256 PolarHBondContact O-N 3.21Å
253F95.4Very high94.6Very high83 Ų8352.8 Ų52.836%0.36426%0.264SS..Hα-helixtrans-53.3-45.9-176.9176.7-91000113.1Y257 S317 V320 A321F253-Y257 WeakPolarHBondContact O-CB 2.96Å; F253-Y257 PolarHBondContact O-N 3.33Å; F253-S317 WeakPolarHBondContact CE2-O 3.45Å; F253-V320 HydrophobicContact CD2-CB 4.21Å; F253-V320 HydrophobicContact CD2-CG1 3.67Å; F253-V320 HydrophobicContact CE2-CB 4.02Å; F253-V320 HydrophobicContact CE2-CG1 4Å; F253-V320 HydrophobicContact CG-CG1 4.41Å; F253-A321 HydrophobicContact CD2-CB 4.47Å; F253-A321 HydrophobicContact CE2-CB 4.03Å
254T96.5Very high94.6Very high76 Ų7651 Ų5147%0.46625%0.252SS..Hα-helixtrans-68.5-44.2-174.7-59.40000111D252 K258D252-T254 VanDerWaalsContact C-N 3.32Å; D252-T254 PolarHBondContact O-N 3.15Å; D252-T254 WeakPolarHBondContact OD1-CB 3Å; D252-T254 PolarHBondContact OD1-N 2.92Å; T254-K258 HydrophobicContact CG2-CD 4.3Å; T254-K258 WeakPolarHBondContact O-CB 3.44Å; T254-K258 WeakPolarHBondContact O-CG 3.47Å; T254-K258 PolarHBondContact O-N 3.39Å; T254-K258 VanDerWaalsContact O-N 3.09Å
255S96.6Very high94.4Very high46 Ų4655.8 Ų55.832%0.32228%0.282SS..Hα-helixtrans-64.6-48.1176.8-61.20000111.5D252 Y257 K258 Q259D252-S255 PolarHBondContact O-N 2.93Å; D252-S255 PolarHBondContact OD1-N 2.86Å; D252-S255 PolarHBondContact OD1-OG 3.32Å; D252-S255 WeakPolarHBondContact OD2-CB 3.17Å; D252-S255 PolarHBondContact OD2-OG 3.2Å; S255-Y257 PolarHBondContact O-N 2.92Å; S255-K258 PolarHBondContact O-N 2.68Å; S255-Q259 VanDerWaalsContact O-CG 3.31Å; S255-Q259 WeakPolarHBondContact O-CG 3.34Å; S255-Q259 PolarHBondContact O-N 2.85Å
256A96.6Very high94.3Very high0 Ų061.5 Ų61.50%031%0.312CS..Hα-helixtrans-59.3-49.5178.400000111.5W247 K251 D252 K258 Q259 V260 V320W247-A256 HydrophobicContact CB-CB 4.38Å; W247-A256 WeakPolarHBondContact O-CB 3.47Å; K251-A256 HydrophobicContact CB-CB 4.38Å; D252-A256 WeakPolarHBondContact O-CB 3.11Å; D252-A256 PolarHBondContact O-N 3.21Å; A256-K258 PolarHBondContact O-N 2.95Å; A256-Q259 PolarHBondContact O-N 3.33Å; A256-V260 WeakPolarHBondContact O-CG2 3.4Å; A256-V260 PolarHBondContact O-N 3.08Å; A256-V320 HydrophobicContact CB-CG1 3.78Å
257Y96.8Very high94.2Very high42 Ų4262 Ų6217%0.16531%0.311CS..Hα-helixtrans-56.8-48.8178.5177-94.1000112.6F253 S255 Q259 V260 L261 L316 S317F253-Y257 WeakPolarHBondContact O-CB 2.96Å; F253-Y257 PolarHBondContact O-N 3.33Å; S255-Y257 PolarHBondContact O-N 2.92Å; Y257-Q259 VanDerWaalsContact C-N 3.33Å; Y257-Q259 PolarHBondContact O-N 3.35Å; Y257-V260 PolarHBondContact O-N 3.28Å; Y257-L261 HydrophobicContact CE1-CD2 3.83Å; Y257-L261 WeakPolarHBondContact O-CB 3.19Å; Y257-L261 PolarHBondContact O-N 3.32Å; Y257-L316 HydrophobicContact CD2-CD2 4.18Å; Y257-L316 HydrophobicContact CD2-CG 3.99Å; Y257-L316 HydrophobicContact CE2-CB 4.23Å; Y257-L316 HydrophobicContact CE2-CD2 3.81Å; Y257-L316 HydrophobicContact CE2-CG 3.81Å; Y257-S317 WeakPolarHBondContact CE2-OG 3.4Å
258K96.9Very high93.9Very high134 Ų13463.1 Ų63.158%0.58333%0.334SS*.Hα-helixtrans-61-43.3-179.9-76.9179.1179179.40111.6T254 S255 A256 L261 E262T254-K258 HydrophobicContact CG2-CD 4.3Å; T254-K258 WeakPolarHBondContact O-CB 3.44Å; T254-K258 WeakPolarHBondContact O-CG 3.47Å; T254-K258 PolarHBondContact O-N 3.39Å; T254-K258 VanDerWaalsContact O-N 3.09Å; S255-K258 PolarHBondContact O-N 2.68Å; A256-K258 PolarHBondContact O-N 2.95Å; K258-L261 PolarHBondContact O-N 3.38Å; K258-E262 VanDerWaalsContact O-CB 3.3Å; K258-E262 WeakPolarHBondContact O-CB 3.31Å; K258-E262 PolarHBondContact O-N 2.88Å
259Q96.6Very high93.8Very high56 Ų5663.6 Ų63.626%0.26234%0.336SS..Hα-helixtrans-69.7-42.2-178.2-69.3-172.6-20.100112.8W247 K251 S255 A256 Y257 L261 E262 L263W247-Q259 HydrophobicContact CD2-CB 3.81Å; W247-Q259 VanDerWaalsContact CD2-OE1 3.24Å; W247-Q259 VanDerWaalsContact CE2-OE1 3.31Å; W247-Q259 HydrophobicContact CE3-CB 3.48Å; W247-Q259 VanDerWaalsContact CE3-CB 3.48Å; W247-Q259 VanDerWaalsContact CG-OE1 3.23Å; W247-Q259 HydrophobicContact CH2-CB 4.17Å; W247-Q259 HydrophobicContact CZ2-CB 4.46Å; W247-Q259 HydrophobicContact CZ3-CB 3.69Å; W247-Q259 WeakPolarHBondContact CZ3-O 3.44Å; K251-Q259 VanDerWaalsContact NZ-CD 3.31Å; K251-Q259 VanDerWaalsContact NZ-NE2 3.14Å; S255-Q259 VanDerWaalsContact O-CG 3.31Å; S255-Q259 WeakPolarHBondContact O-CG 3.34Å; S255-Q259 PolarHBondContact O-N 2.85Å; A256-Q259 PolarHBondContact O-N 3.33Å; Y257-Q259 VanDerWaalsContact C-N 3.33Å; Y257-Q259 PolarHBondContact O-N 3.35Å; Q259-L261 VanDerWaalsContact C-N 3.33Å; Q259-L261 PolarHBondContact O-N 3.07Å; Q259-E262 PolarHBondContact O-N 3.44Å; Q259-L263 WeakPolarHBondContact O-CB 3.31Å; Q259-L263 PolarHBondContact O-N 3.3Å
260V95.8Very high93.9Very high0 Ų064 Ų640%034%0.344CS..Hα-helixtrans-63.8-42.2173.8-176.20000110.3I244 W247 A256 Y257 K264 L316 M319I244-V260 HydrophobicContact CB-CG2 4.44Å; I244-V260 HydrophobicContact CD1-CG1 4.32Å; I244-V260 HydrophobicContact CG1-CG1 4.26Å; I244-V260 HydrophobicContact CG1-CG2 4.18Å; I244-V260 HydrophobicContact CG2-CG1 4.39Å; I244-V260 HydrophobicContact CG2-CG2 3.97Å; W247-V260 HydrophobicContact CE3-CG2 4.07Å; A256-V260 WeakPolarHBondContact O-CG2 3.4Å; A256-V260 PolarHBondContact O-N 3.08Å; Y257-V260 PolarHBondContact O-N 3.28Å; V260-K264 WeakPolarHBondContact O-CB 3.36Å; V260-K264 PolarHBondContact O-N 3.44Å; V260-L316 HydrophobicContact CB-CD1 4.08Å; V260-L316 HydrophobicContact CG1-CD1 3.53Å; V260-M319 HydrophobicContact CG1-CE 4.34Å
261L95.6Very high94Very high45 Ų4559 Ų5924%0.23632%0.317CS..Hα-helixtrans-63.6-42.8178.6-178.962.8000112.3Y257 K258 Q259 T265 L316Y257-L261 HydrophobicContact CE1-CD2 3.83Å; Y257-L261 WeakPolarHBondContact O-CB 3.19Å; Y257-L261 PolarHBondContact O-N 3.32Å; K258-L261 PolarHBondContact O-N 3.38Å; Q259-L261 VanDerWaalsContact C-N 3.33Å; Q259-L261 PolarHBondContact O-N 3.07Å; L261-T265 WeakPolarHBondContact O-CB 3.29Å; L261-T265 PolarHBondContact O-N 3.43Å; L261-T265 PolarHBondContact O-OG1 2.92Å; L261-L316 HydrophobicContact CB-CD2 3.97Å; L261-L316 HydrophobicContact CD1-CD2 4.07Å
262E95.2Very high93.9Very high127 Ų12760.1 Ų60.159%0.59332%0.323SS*.Hα-helixtrans-63.2-50.3177.4-177.7176-168.600111.1K258 Q259 K264 T265 L266K258-E262 VanDerWaalsContact O-CB 3.3Å; K258-E262 WeakPolarHBondContact O-CB 3.31Å; K258-E262 PolarHBondContact O-N 2.88Å; Q259-E262 PolarHBondContact O-N 3.44Å; E262-K264 VanDerWaalsContact C-N 3.32Å; E262-K264 PolarHBondContact O-N 2.95Å; E262-T265 PolarHBondContact O-N 2.84Å; E262-T265 VanDerWaalsContact O-N 3.15Å; E262-L266 VanDerWaalsContact O-CB 3.31Å; E262-L266 WeakPolarHBondContact O-CB 3.48Å; E262-L266 PolarHBondContact O-N 2.96Å
263L93.1Very high93.7Very high25 Ų2558.4 Ų58.413%0.13131%0.314CS..Hα-helixtrans-58.5-45.8177.9-177.664.6000111.5D240 I244 W247 Q259 T265 L266 K267D240-L263 HydrophobicContact CB-CD2 4.03Å; I244-L263 HydrophobicContact CD1-CD2 3.98Å; I244-L263 HydrophobicContact CG1-CD2 3.9Å; W247-L263 HydrophobicContact CH2-CB 4.44Å; W247-L263 HydrophobicContact CH2-CD2 4.02Å; W247-L263 HydrophobicContact CZ3-CB 4.23Å; W247-L263 HydrophobicContact CZ3-CD2 3.9Å; Q259-L263 WeakPolarHBondContact O-CB 3.31Å; Q259-L263 PolarHBondContact O-N 3.3Å; L263-T265 VanDerWaalsContact C-N 3.34Å; L263-T265 PolarHBondContact O-N 3.46Å; L263-L266 PolarHBondContact O-N 3.45Å; L263-K267 HydrophobicContact CD1-CD 3.79Å; L263-K267 HydrophobicContact CD1-CG 4.33Å; L263-K267 WeakPolarHBondContact O-CB 3.36Å; L263-K267 PolarHBondContact O-N 2.97Å
264K93.1Very high93.6Very high33 Ų3354.4 Ų54.414%0.14330%0.297CS..Hα-helixtrans-58.8-45.6176.2-173.8-160.6171.2-141.20111.6V260 E262 G268 L269 I274 E312V260-K264 WeakPolarHBondContact O-CB 3.36Å; V260-K264 PolarHBondContact O-N 3.44Å; E262-K264 VanDerWaalsContact C-N 3.32Å; E262-K264 PolarHBondContact O-N 2.95Å; K264-G268 CarbonylContact O-C 3.59Å; K264-G268 WeakPolarHBondContact O-CA 3.45Å; K264-G268 PolarHBondContact O-N 3.5Å; K264-L269 WeakPolarHBondContact CE-O 3.33Å; K264-L269 HydrophobicContact CG-CB 4.21Å; K264-L269 WeakPolarHBondContact CG-O 3.3Å; K264-L269 PolarHBondContact O-N 3.45Å; K264-I274 HydrophobicContact CB-CD1 4.4Å; K264-I274 HydrophobicContact CG-CD1 4.31Å; K264-E312 WeakPolarHBondContact CE-OE1 3.48Å; K264-E312 IonicContact NZ-OE1 3.93Å; K264-E312 PolarHBondContact NZ-OE1 3.34Å; K264-E312 IonicContact NZ-OE2 2.61Å; K264-E312 PolarHBondContact NZ-OE2 2.91Å
265T91.7Very high93.5Very high102 Ų10251.1 Ų51.163%0.62628%0.276SS*.Hα-helixtrans-68.8-43.6-178-55.90000111.3L261 E262 L263L261-T265 WeakPolarHBondContact O-CB 3.29Å; L261-T265 PolarHBondContact O-N 3.43Å; L261-T265 PolarHBondContact O-OG1 2.92Å; E262-T265 PolarHBondContact O-N 2.84Å; E262-T265 VanDerWaalsContact O-N 3.15Å; L263-T265 VanDerWaalsContact C-N 3.34Å; L263-T265 PolarHBondContact O-N 3.46Å
266L90.4Very high93.2Very high137 Ų13750.1 Ų50.172%0.71727%0.269SS*.Hα-helixtrans-68.4-38.4-177-163.3153.3000111.8E262 L263E262-L266 VanDerWaalsContact O-CB 3.31Å; E262-L266 WeakPolarHBondContact O-CB 3.48Å; E262-L266 PolarHBondContact O-N 2.96Å; L263-L266 PolarHBondContact O-N 3.45Å
267K89.2Confident92.9Very high81 Ų8152 Ų5235%0.35228%0.278SS..Hα-helixtrans-97.9-0.8-178.7-66.6-171.4170.2-173.20114.6D240 L263 L269D240-K267 IonicContact OD1-NZ 3.34Å; D240-K267 PolarHBondContact OD1-NZ 2.94Å; D240-K267 WeakPolarHBondContact OD2-CD 3.35Å; D240-K267 IonicContact OD2-NZ 3.92Å; D240-K267 PolarHBondContact OD2-NZ 3.12Å; L263-K267 HydrophobicContact CD1-CD 3.79Å; L263-K267 HydrophobicContact CD1-CG 4.33Å; L263-K267 WeakPolarHBondContact O-CB 3.36Å; L263-K267 PolarHBondContact O-N 2.97Å; K267-L269 VanDerWaalsContact C-N 3.31Å; K267-L269 HydrophobicContact CB-CD1 4.13Å; K267-L269 HydrophobicContact CB-CD2 4.19Å; K267-L269 HydrophobicContact CB-CG 3.8Å; K267-L269 PolarHBondContact O-N 3.5Å
268G88.8Confident92.7Very high61 Ų6150 Ų5063%0.62927%0.27SS*.THydrogen-bonded Turntrans63.531.2179.900000114.5K264K264-G268 CarbonylContact O-C 3.59Å; K264-G268 WeakPolarHBondContact O-CA 3.45Å; K264-G268 PolarHBondContact O-N 3.5Å
269L91.4Very high92.4Very high9 Ų947.2 Ų47.25%0.04726%0.259CS..  trans-78144.3-174.9-56.6173.4000111.3G234 P236 K264 K267 I274G234-L269 WeakPolarHBondContact O-CD2 3.22Å; P236-L269 HydrophobicContact CB-CD1 4.02Å; P236-L269 HydrophobicContact CB-CD2 4.15Å; K264-L269 WeakPolarHBondContact CE-O 3.33Å; K264-L269 HydrophobicContact CG-CB 4.21Å; K264-L269 WeakPolarHBondContact CG-O 3.3Å; K264-L269 PolarHBondContact O-N 3.45Å; K267-L269 VanDerWaalsContact C-N 3.31Å; K267-L269 HydrophobicContact CB-CD1 4.13Å; K267-L269 HydrophobicContact CB-CD2 4.19Å; K267-L269 HydrophobicContact CB-CG 3.8Å; K267-L269 PolarHBondContact O-N 3.5Å; L269-I274 HydrophobicContact CB-CD1 4.18Å; L269-I274 HydrophobicContact CB-CG1 4.42Å; L269-I274 HydrophobicContact CD1-CD1 4.42Å
270A91.6Very high91.9Very high40 Ų4048.7 Ų48.733%0.33127%0.268SS..  trans-83.6140.6167.900000110.6H272 D273 I274A270-H272 PolarHBondContact O-N 2.99Å; A270-D273 PolarHBondContact O-N 3.44Å; A270-D273 VanDerWaalsContact O-N 3.12Å; A270-I274 PolarHBondContact O-N 3.38Å
271L92.9Very high91.5Very high0 Ų050.7 Ų50.70%028%0.279CS..Hα-helixtrans-60.9-32175-179.860.3000112D273 I274 L275 L306 E312 Q315 L316 M319L271-D273 VanDerWaalsContact C-N 3.32Å; L271-D273 PolarHBondContact O-N 2.85Å; L271-I274 HydrophobicContact CD1-CB 4.49Å; L271-I274 PolarHBondContact O-N 2.69Å; L271-L275 HydrophobicContact CD1-CG 4.33Å; L271-L275 HydrophobicContact CG-CD1 4.02Å; L271-L275 HydrophobicContact CG-CG 4.33Å; L271-L275 WeakPolarHBondContact O-CB 3.43Å; L271-L275 WeakPolarHBondContact O-CG 3.45Å; L271-L275 PolarHBondContact O-N 2.92Å; L271-L306 HydrophobicContact CB-CD1 4.26Å; L271-L306 HydrophobicContact CD2-CD1 3.87Å; L271-L306 HydrophobicContact CD2-CD2 4.17Å; L271-L306 HydrophobicContact CG-CD1 3.87Å; L271-E312 HydrophobicContact CB-CG 3.68Å; L271-E312 WeakPolarHBondContact CB-OE1 3.17Å; L271-E312 HydrophobicContact CD2-CG 3.92Å; L271-E312 HydrophobicContact CG-CG 4.48Å; L271-E312 PolarHBondContact N-OE1 2.95Å; L271-Q315 HydrophobicContact CD2-CB 3.75Å; L271-L316 HydrophobicContact CD1-CB 4.49Å; L271-L316 HydrophobicContact CD1-CD1 3.96Å; L271-L316 HydrophobicContact CD2-CB 3.99Å; L271-M319 HydrophobicContact CD1-CE 4.33Å; L271-M319 HydrophobicContact CD1-SD 3.94Å
272H92Very high91.1Very high87 Ų8748.6 Ų48.640%0.40327%0.268SS..Hα-helixtrans-56.6-44.6173.9172.1-85.5000112.3A270 L275 S276A270-H272 PolarHBondContact O-N 2.99Å; H272-L275 PolarHBondContact O-N 2.86Å; H272-S276 WeakPolarHBondContact O-CB 3.35Å; H272-S276 PolarHBondContact O-N 3.48Å; H272-S276 PolarHBondContact O-OG 2.99Å
273D91.3Very high90.6Very high42 Ų4247 Ų4723%0.22526%0.26CS..Hα-helixtrans-72.1-37.2-179-59.1-29.9000111P236 A270 L271 S276 E277P236-D273 HydrophobicContact CG-CB 4.32Å; A270-D273 PolarHBondContact O-N 3.44Å; A270-D273 VanDerWaalsContact O-N 3.12Å; L271-D273 VanDerWaalsContact C-N 3.32Å; L271-D273 PolarHBondContact O-N 2.85Å; D273-S276 PolarHBondContact O-N 3.18Å; D273-E277 WeakPolarHBondContact O-CG 3.39Å; D273-E277 PolarHBondContact O-N 3.3Å; D273-E277 VanDerWaalsContact O-N 3.13Å
274I93.9Very high90.2Very high0 Ų055.7 Ų55.70%029%0.291CS..Hα-helixtrans-59.1-49.7171.3-65.7170.4000110.3I241 I244 K264 L269 A270 L271 S276 E277 V278 M319I241-I274 HydrophobicContact CD1-CB 4.48Å; I241-I274 HydrophobicContact CD1-CG1 4.47Å; I241-I274 HydrophobicContact CD1-CG2 4.35Å; I244-I274 HydrophobicContact CD1-CD1 4.01Å; I244-I274 HydrophobicContact CD1-CG1 4.09Å; I244-I274 HydrophobicContact CD1-CG2 3.76Å; I244-I274 HydrophobicContact CG2-CG2 4.17Å; K264-I274 HydrophobicContact CB-CD1 4.4Å; K264-I274 HydrophobicContact CG-CD1 4.31Å; L269-I274 HydrophobicContact CB-CD1 4.18Å; L269-I274 HydrophobicContact CB-CG1 4.42Å; L269-I274 HydrophobicContact CD1-CD1 4.42Å; A270-I274 PolarHBondContact O-N 3.38Å; L271-I274 HydrophobicContact CD1-CB 4.49Å; L271-I274 PolarHBondContact O-N 2.69Å; I274-S276 PolarHBondContact O-N 2.93Å; I274-E277 PolarHBondContact O-N 3.4Å; I274-V278 HydrophobicContact CG2-CG2 3.98Å; I274-V278 VanDerWaalsContact O-CB 3.29Å; I274-V278 WeakPolarHBondContact O-CB 3.37Å; I274-V278 WeakPolarHBondContact O-CG2 3.36Å; I274-V278 PolarHBondContact O-N 3.34Å; I274-M319 HydrophobicContact CG2-CE 4.31Å; I274-M319 HydrophobicContact CG2-SD 4.38Å
275L93.7Very high89.8Confident7 Ų756 Ų564%0.03730%0.296CS..Hα-helixtrans-60.8-44179.9-78.1166.3000112.2L271 H272 E277 V278 H279 L299 I302 L306 M319L271-L275 HydrophobicContact CD1-CG 4.33Å; L271-L275 HydrophobicContact CG-CD1 4.02Å; L271-L275 HydrophobicContact CG-CG 4.33Å; L271-L275 WeakPolarHBondContact O-CB 3.43Å; L271-L275 WeakPolarHBondContact O-CG 3.45Å; L271-L275 PolarHBondContact O-N 2.92Å; H272-L275 PolarHBondContact O-N 2.86Å; L275-E277 VanDerWaalsContact C-N 3.31Å; L275-E277 PolarHBondContact O-N 3.19Å; L275-V278 PolarHBondContact O-N 2.92Å; L275-H279 VanDerWaalsContact O-CB 3.31Å; L275-H279 WeakPolarHBondContact O-CB 3.5Å; L275-H279 PolarHBondContact O-N 2.75Å; L275-L299 HydrophobicContact CD2-CD2 3.75Å; L275-I302 HydrophobicContact CD1-CB 4.49Å; L275-I302 HydrophobicContact CD1-CG2 3.67Å; L275-I302 HydrophobicContact CD2-CG2 4.38Å; L275-L306 HydrophobicContact CD1-CD1 3.29Å; L275-M319 HydrophobicContact CD2-CB 4.45Å; L275-M319 HydrophobicContact CD2-CG 3.81Å; L275-M319 HydrophobicContact CD2-SD 3.48Å; L275-M319 WeakPolarHBondContact CD2-SD 3.31Å; L275-M319 HydrophobicContact CG-SD 4.05Å
276S90.7Very high89.4Confident25 Ų2558.4 Ų58.418%0.17531%0.305CS..Hα-helixtrans-57.7-44178.3-67.30000111.8H272 D273 I274H272-S276 WeakPolarHBondContact O-CB 3.35Å; H272-S276 PolarHBondContact O-N 3.48Å; H272-S276 PolarHBondContact O-OG 2.99Å; D273-S276 PolarHBondContact O-N 3.18Å; I274-S276 PolarHBondContact O-N 2.93Å
277E90.8Very high89.1Confident38 Ų3852.6 Ų52.618%0.17827%0.274CS..Hα-helixtrans-79.7-37.2-179.5-67.6-61132.500113H235 P236 I241 D273 I274 L275 H279 L280 L281H235-E277 IonicContact CE1-OE1 2.68Å; H235-E277 PolarHBondContact CE1-OE1 3.4Å; H235-E277 IonicContact NE2-OE1 2.92Å; P236-E277 HydrophobicContact CG-CG 4.17Å; I241-E277 HydrophobicContact CB-CB 4.45Å; I241-E277 HydrophobicContact CD1-CB 3.73Å; I241-E277 HydrophobicContact CD1-CG 4.47Å; I241-E277 HydrophobicContact CG1-CB 3.63Å; I241-E277 HydrophobicContact CG1-CG 4.32Å; I241-E277 HydrophobicContact CG2-CB 4.05Å; D273-E277 WeakPolarHBondContact O-CG 3.39Å; D273-E277 PolarHBondContact O-N 3.3Å; D273-E277 VanDerWaalsContact O-N 3.13Å; I274-E277 PolarHBondContact O-N 3.4Å; L275-E277 VanDerWaalsContact C-N 3.31Å; L275-E277 PolarHBondContact O-N 3.19Å; E277-H279 VanDerWaalsContact C-N 3.28Å; E277-H279 PolarHBondContact O-N 3.34Å; E277-L280 WeakPolarHBondContact O-CB 3.3Å; E277-L280 PolarHBondContact O-N 3.04Å; E277-L280 VanDerWaalsContact O-N 3.17Å; E277-L281 PolarHBondContact O-N 3.25Å
278V91.6Very high89.1Confident1 Ų151 Ų511%0.00627%0.271CS..Hα-helixtrans-59.8-42.1173.9166.20000110.2I241 I244 I274 L275 L280 L281 V282 F323I241-V278 HydrophobicContact CG2-CG2 3.93Å; I244-V278 HydrophobicContact CG2-CG2 4.18Å; I274-V278 HydrophobicContact CG2-CG2 3.98Å; I274-V278 VanDerWaalsContact O-CB 3.29Å; I274-V278 WeakPolarHBondContact O-CB 3.37Å; I274-V278 WeakPolarHBondContact O-CG2 3.36Å; I274-V278 PolarHBondContact O-N 3.34Å; L275-V278 PolarHBondContact O-N 2.92Å; V278-L280 VanDerWaalsContact C-N 3.27Å; V278-L280 PolarHBondContact O-N 3.41Å; V278-L281 PolarHBondContact O-N 3.5Å; V278-L281 VanDerWaalsContact O-N 3.07Å; V278-V282 HydrophobicContact CG1-CG2 4.08Å; V278-V282 WeakPolarHBondContact O-CG2 3.33Å; V278-V282 PolarHBondContact O-N 3.41Å; V278-F323 HydrophobicContact CG1-CE2 3.93Å; V278-F323 HydrophobicContact CG1-CZ 3.5Å; V278-F323 VanDerWaalsContact CG1-CZ 3.5Å
279H90.2Very high89.1Confident76 Ų7652.7 Ų52.735%0.35227%0.272SS..Hα-helixtrans-53.4-43.7175.116663.5000112.2L275 E277 L281 V282 H283 L296L275-H279 VanDerWaalsContact O-CB 3.31Å; L275-H279 WeakPolarHBondContact O-CB 3.5Å; L275-H279 PolarHBondContact O-N 2.75Å; E277-H279 VanDerWaalsContact C-N 3.28Å; E277-H279 PolarHBondContact O-N 3.34Å; H279-L281 VanDerWaalsContact C-N 3.34Å; H279-L281 PolarHBondContact O-N 2.86Å; H279-V282 PolarHBondContact O-N 3Å; H279-H283 AromaticContact CE1-CD2 3.6Å; H279-H283 AromaticContact CE1-NE2 3.08Å; H279-H283 PolarHBondContact CE1-NE2 2.93Å; H279-H283 AromaticContact ND1-CD2 3.98Å; H279-H283 AromaticContact ND1-NE2 3.74Å; H279-H283 AromaticContact NE2-NE2 3.77Å; H279-H283 PolarHBondContact O-CD2 3.43Å; H279-H283 VanDerWaalsContact O-CD2 3.28Å; H279-L296 WeakPolarHBondContact ND1-CD2 3.38Å
280L86.9Confident89Confident87 Ų8755.3 Ų55.346%0.45529%0.294SS..Hα-helixtrans-64.3-37178-63176.9000112.6E277 V278E277-L280 WeakPolarHBondContact O-CB 3.3Å; E277-L280 PolarHBondContact O-N 3.04Å; E277-L280 VanDerWaalsContact O-N 3.17Å; V278-L280 VanDerWaalsContact C-N 3.27Å; V278-L280 PolarHBondContact O-N 3.41Å
281L86.5Confident89Confident42 Ų4253.7 Ų53.722%0.2228%0.28CS..Hα-helixtrans-76.1-33.2177.2-66.6-165.3000112.9I241 L245 E277 V278 H279 H283 R284 V285I241-L281 HydrophobicContact CB-CD1 4.39Å; I241-L281 HydrophobicContact CG2-CD1 3.57Å; I241-L281 HydrophobicContact CG2-CG 4.11Å; L245-L281 HydrophobicContact CD2-CB 3.93Å; L245-L281 HydrophobicContact CD2-CD1 4.19Å; E277-L281 PolarHBondContact O-N 3.25Å; V278-L281 PolarHBondContact O-N 3.5Å; V278-L281 VanDerWaalsContact O-N 3.07Å; H279-L281 VanDerWaalsContact C-N 3.34Å; H279-L281 PolarHBondContact O-N 2.86Å; L281-H283 PolarHBondContact O-N 3.35Å; L281-R284 WeakPolarHBondContact O-CA 3.41Å; L281-R284 WeakPolarHBondContact O-CB 3.36Å; L281-R284 PolarHBondContact O-N 3.11Å; L281-V285 PolarHBondContact O-N 3.24Å
282V87.8Confident88.9Confident0 Ų056.8 Ų56.80%029%0.292CS..Hα-helixtrans-57.4-33.6176.7166.80000111.5V278 H279 R284 V285 F287 R292 L295 L296 L299 F323V278-V282 HydrophobicContact CG1-CG2 4.08Å; V278-V282 WeakPolarHBondContact O-CG2 3.33Å; V278-V282 PolarHBondContact O-N 3.41Å; H279-V282 PolarHBondContact O-N 3Å; V282-R284 PolarHBondContact O-N 3.38Å; V282-V285 PolarHBondContact O-N 3.33Å; V282-F287 HydrophobicContact CG1-CD2 4.4Å; V282-F287 HydrophobicContact CG1-CE2 4.28Å; V282-R292 HydrophobicContact CG1-CG 4.47Å; V282-L295 HydrophobicContact CG1-CD2 3.83Å; V282-L295 HydrophobicContact CG1-CG 4.46Å; V282-L295 HydrophobicContact CG2-CD2 3.97Å; V282-L296 HydrophobicContact CG1-CD2 4.18Å; V282-L299 HydrophobicContact CG2-CD1 4.23Å; V282-F323 HydrophobicContact CG2-CE1 4.06Å; V282-F323 HydrophobicContact CG2-CZ 3.89Å
283H84.9Confident88.8Confident95 Ų9558.1 Ų58.144%0.4430%0.3SS..THydrogen-bonded Turntrans-67-20.1174-78.5-70.9000114.4H279 L281H279-H283 AromaticContact CE1-CD2 3.6Å; H279-H283 AromaticContact CE1-NE2 3.08Å; H279-H283 PolarHBondContact CE1-NE2 2.93Å; H279-H283 AromaticContact ND1-CD2 3.98Å; H279-H283 AromaticContact ND1-NE2 3.74Å; H279-H283 AromaticContact NE2-NE2 3.77Å; H279-H283 PolarHBondContact O-CD2 3.43Å; H279-H283 VanDerWaalsContact O-CD2 3.28Å; L281-H283 PolarHBondContact O-N 3.35Å
284R85.4Confident88.9Confident206 Ų20657.8 Ų57.878%0.77731%0.306SS*.THydrogen-bonded Turntrans-95.2-17.4179.7-58.7-178.5-179.1-177.1-0.6113.1L281 V282L281-R284 WeakPolarHBondContact O-CA 3.41Å; L281-R284 WeakPolarHBondContact O-CB 3.36Å; L281-R284 PolarHBondContact O-N 3.11Å; V282-R284 PolarHBondContact O-N 3.38Å
285V84Confident88.9Confident41 Ų4157.8 Ų57.825%0.24831%0.306CS..SBendtrans-79136175.4-178.30000109.4L245 L281 V282 F287L245-V285 HydrophobicContact CD2-CG2 3.88Å; L281-V285 PolarHBondContact O-N 3.24Å; V282-V285 PolarHBondContact O-N 3.33Å; V285-F287 VanDerWaalsContact C-N 3.27Å; V285-F287 HydrophobicContact CB-CD2 3.84Å; V285-F287 HydrophobicContact CB-CE2 3.5Å; V285-F287 VanDerWaalsContact CB-CE2 3.5Å; V285-F287 HydrophobicContact CB-CZ 4.04Å; V285-F287 HydrophobicContact CG1-CD1 4.25Å; V285-F287 HydrophobicContact CG1-CD2 3.79Å; V285-F287 HydrophobicContact CG1-CE1 3.89Å; V285-F287 HydrophobicContact CG1-CE2 3.41Å; V285-F287 VanDerWaalsContact CG1-CE2 3.41Å; V285-F287 HydrophobicContact CG1-CG 4.19Å; V285-F287 HydrophobicContact CG1-CZ 3.45Å; V285-F287 VanDerWaalsContact CG1-CZ 3.45Å; V285-F287 HydrophobicContact CG2-CE2 4.23Å; V285-F287 PolarHBondContact O-N 3.36Å
286D83.8Confident88.9Confident152 Ų15259.4 Ų59.481%0.81332%0.315SS*.  trans-79.474.4-179.8-164.822.6000111.8R292D286-R292 IonicContact OD1-NH2 2.77Å
287F84.1Confident89.1Confident15 Ų1563.1 Ų63.17%0.06633%0.331CS..  trans-88.8145.6170.5-66.9-61.9000111.3L249 V282 V285 R292 L295 V326L249-F287 HydrophobicContact CD1-CZ 4.21Å; L249-F287 HydrophobicContact CD2-CE1 4.08Å; L249-F287 HydrophobicContact CD2-CZ 3.81Å; V282-F287 HydrophobicContact CG1-CD2 4.4Å; V282-F287 HydrophobicContact CG1-CE2 4.28Å; V285-F287 VanDerWaalsContact C-N 3.27Å; V285-F287 HydrophobicContact CB-CD2 3.84Å; V285-F287 HydrophobicContact CB-CE2 3.5Å; V285-F287 VanDerWaalsContact CB-CE2 3.5Å; V285-F287 HydrophobicContact CB-CZ 4.04Å; V285-F287 HydrophobicContact CG1-CD1 4.25Å; V285-F287 HydrophobicContact CG1-CD2 3.79Å; V285-F287 HydrophobicContact CG1-CE1 3.89Å; V285-F287 HydrophobicContact CG1-CE2 3.41Å; V285-F287 VanDerWaalsContact CG1-CE2 3.41Å; V285-F287 HydrophobicContact CG1-CG 4.19Å; V285-F287 HydrophobicContact CG1-CZ 3.45Å; V285-F287 VanDerWaalsContact CG1-CZ 3.45Å; V285-F287 HydrophobicContact CG2-CE2 4.23Å; V285-F287 PolarHBondContact O-N 3.36Å; F287-R292 HydrophobicContact CB-CB 3.93Å; F287-R292 HydrophobicContact CB-CG 4.41Å; F287-R292 PolarHBondContact O-NE 2.89Å; F287-R292 PolarHBondContact O-NH2 3.41Å; F287-L295 HydrophobicContact CE2-CD2 4.15Å; F287-L295 HydrophobicContact CZ-CD2 4.5Å; F287-V326 HydrophobicContact CD1-CG1 4.16Å; F287-V326 HydrophobicContact CE1-CG1 3.88Å; F287-V326 HydrophobicContact CZ-CG1 4.47Å
288P89Confident89.3Confident46 Ų4666.8 Ų66.830%0.29935%0.347SS..  trans-51.1139.7163.9-27.236.3000111.2A290 I291 R292P288-A290 VanDerWaalsContact C-N 3.32Å; P288-A290 PolarHBondContact O-N 3.46Å; P288-I291 HydrophobicContact CB-CB 4.4Å; P288-I291 HydrophobicContact CB-CD1 4.22Å; P288-I291 HydrophobicContact CB-CG1 4.28Å; P288-I291 HydrophobicContact CG-CD1 4.04Å; P288-I291 PolarHBondContact O-N 2.96Å; P288-I291 VanDerWaalsContact O-N 3.11Å; P288-R292 PolarHBondContact O-N 2.93Å
289P89.6Confident89.4Confident98 Ų9867.1 Ų67.164%0.63635%0.348SS*.Hα-helixtrans-54.6-42-173-29.535.4000114.3I291 R292 M293P289-I291 PolarHBondContact O-N 3.06Å; P289-R292 PolarHBondContact O-N 3.4Å; P289-M293 VanDerWaalsContact O-CG 3.29Å; P289-M293 WeakPolarHBondContact O-CG 3.48Å; P289-M293 PolarHBondContact O-N 3.49Å
290A89.2Confident89.7Confident63 Ų6365.9 Ų65.952%0.52135%0.351SS..Hα-helixtrans-60.7-45178.900000112.1P288 M293 G294P288-A290 VanDerWaalsContact C-N 3.32Å; P288-A290 PolarHBondContact O-N 3.46Å; A290-M293 PolarHBondContact O-N 3.28Å; A290-G294 PolarHBondContact O-N 3.46Å
291I89.8Confident90.1Very high7 Ų764.6 Ų64.64%0.03635%0.345CS..Hα-helixtrans-67.6-43.4179.5-63.9-175.7000110.7P288 P289 M293 G294 L295 V326 L329 V330 E333P288-I291 HydrophobicContact CB-CB 4.4Å; P288-I291 HydrophobicContact CB-CD1 4.22Å; P288-I291 HydrophobicContact CB-CG1 4.28Å; P288-I291 HydrophobicContact CG-CD1 4.04Å; P288-I291 PolarHBondContact O-N 2.96Å; P288-I291 VanDerWaalsContact O-N 3.11Å; P289-I291 PolarHBondContact O-N 3.06Å; I291-M293 VanDerWaalsContact C-N 3.35Å; I291-M293 PolarHBondContact O-N 3.42Å; I291-G294 PolarHBondContact O-N 3.17Å; I291-L295 PolarHBondContact O-N 2.94Å; I291-V326 HydrophobicContact CG2-CB 4.05Å; I291-V326 HydrophobicContact CG2-CG1 3.39Å; I291-V326 HydrophobicContact CG2-CG2 3.96Å; I291-L329 HydrophobicContact CD1-CB 3.93Å; I291-L329 HydrophobicContact CG1-CB 4.34Å; I291-V330 HydrophobicContact CD1-CB 4.26Å; I291-V330 HydrophobicContact CD1-CG2 3.49Å; I291-V330 VanDerWaalsContact CD1-CG2 3.49Å; I291-V330 HydrophobicContact CG2-CG2 4.06Å; I291-E333 WeakPolarHBondContact CD1-OE2 3.45Å
292R91.3Very high90.5Very high65 Ų6562.7 Ų62.725%0.24534%0.335CS..Hα-helixtrans-58.6-46.5176-164.8-177.6-55.2177.81.1111.5V282 D286 F287 P288 P289 L295 L296V282-R292 HydrophobicContact CG1-CG 4.47Å; D286-R292 IonicContact OD1-NH2 2.77Å; F287-R292 HydrophobicContact CB-CB 3.93Å; F287-R292 HydrophobicContact CB-CG 4.41Å; F287-R292 PolarHBondContact O-NE 2.89Å; F287-R292 PolarHBondContact O-NH2 3.41Å; P288-R292 PolarHBondContact O-N 2.93Å; P289-R292 PolarHBondContact O-N 3.4Å; R292-L295 PolarHBondContact O-N 3.35Å; R292-L296 HydrophobicContact CG-CD1 4.31Å; R292-L296 VanDerWaalsContact O-CG 3.3Å; R292-L296 WeakPolarHBondContact O-CG 3.35Å; R292-L296 PolarHBondContact O-N 2.92Å
293M91.4Very high90.8Very high114 Ų11466.7 Ų66.756%0.56235%0.354SS*.Hα-helixtrans-61-45.1176.9-72.3-175.3-62.600111.4P289 A290 I291 L295 L296 I297P289-M293 VanDerWaalsContact O-CG 3.29Å; P289-M293 WeakPolarHBondContact O-CG 3.48Å; P289-M293 PolarHBondContact O-N 3.49Å; A290-M293 PolarHBondContact O-N 3.28Å; I291-M293 VanDerWaalsContact C-N 3.35Å; I291-M293 PolarHBondContact O-N 3.42Å; M293-L295 VanDerWaalsContact C-N 3.34Å; M293-L295 PolarHBondContact O-N 3.28Å; M293-L296 PolarHBondContact O-N 3.05Å; M293-I297 VanDerWaalsContact O-CG1 3.32Å; M293-I297 WeakPolarHBondContact O-CG1 3.37Å; M293-I297 PolarHBondContact O-N 2.87Å
294G92Very high91.3Very high35 Ų3570.6 Ų70.636%0.36137%0.366SS..Hα-helixtrans-58.2-44.2176.400000112.9A290 I291 I297 K298A290-G294 PolarHBondContact O-N 3.46Å; I291-G294 PolarHBondContact O-N 3.17Å; G294-I297 PolarHBondContact O-N 3.36Å; G294-K298 WeakPolarHBondContact O-CG 3.19Å; G294-K298 PolarHBondContact O-N 3.39Å
295L93.6Very high91.7Very high1 Ų166 Ų661%0.00535%0.348CS..Hα-helixtrans-62.6-47.5176.2-175.953.6000111.8V282 F287 I291 R292 M293 I297 K298 L299 A322 F323 V326V282-L295 HydrophobicContact CG1-CD2 3.83Å; V282-L295 HydrophobicContact CG1-CG 4.46Å; V282-L295 HydrophobicContact CG2-CD2 3.97Å; F287-L295 HydrophobicContact CE2-CD2 4.15Å; F287-L295 HydrophobicContact CZ-CD2 4.5Å; I291-L295 PolarHBondContact O-N 2.94Å; R292-L295 PolarHBondContact O-N 3.35Å; M293-L295 VanDerWaalsContact C-N 3.34Å; M293-L295 PolarHBondContact O-N 3.28Å; L295-I297 VanDerWaalsContact C-N 3.33Å; L295-I297 PolarHBondContact O-N 2.98Å; L295-K298 PolarHBondContact O-N 2.93Å; L295-K298 VanDerWaalsContact O-N 3.12Å; L295-L299 HydrophobicContact CD1-CD1 4.32Å; L295-L299 HydrophobicContact CD1-CD2 4.45Å; L295-L299 HydrophobicContact CD1-CG 4.15Å; L295-L299 HydrophobicContact CG-CD1 4.13Å; L295-L299 HydrophobicContact CG-CG 4.36Å; L295-L299 WeakPolarHBondContact O-CG 3.47Å; L295-L299 PolarHBondContact O-N 3.09Å; L295-A322 HydrophobicContact CD1-CB 4.14Å; L295-F323 HydrophobicContact CD1-CD1 4.34Å; L295-F323 HydrophobicContact CD1-CD2 4.4Å; L295-F323 HydrophobicContact CD1-CE1 4.29Å; L295-F323 HydrophobicContact CD1-CE2 4.33Å; L295-F323 HydrophobicContact CD1-CG 4.39Å; L295-F323 HydrophobicContact CD1-CZ 4.26Å; L295-F323 HydrophobicContact CD2-CD1 4.05Å; L295-F323 HydrophobicContact CD2-CE1 3.61Å; L295-F323 HydrophobicContact CD2-CZ 4.07Å; L295-V326 HydrophobicContact CB-CG2 3.84Å; L295-V326 HydrophobicContact CD1-CG2 4.11Å; L295-V326 HydrophobicContact CD2-CG2 4.39Å; L295-V326 HydrophobicContact CG-CG2 4.31Å
296L93.9Very high92.1Very high41 Ų4165.5 Ų65.522%0.21534%0.344CS..Hα-helixtrans-60.4-41.3-179.8-71.9172.7000112.1H279 V282 R292 M293 K298 L299 A300H279-L296 WeakPolarHBondContact ND1-CD2 3.38Å; V282-L296 HydrophobicContact CG1-CD2 4.18Å; R292-L296 HydrophobicContact CG-CD1 4.31Å; R292-L296 VanDerWaalsContact O-CG 3.3Å; R292-L296 WeakPolarHBondContact O-CG 3.35Å; R292-L296 PolarHBondContact O-N 2.92Å; M293-L296 PolarHBondContact O-N 3.05Å; L296-K298 VanDerWaalsContact C-N 3.33Å; L296-K298 PolarHBondContact O-N 3.1Å; L296-L299 PolarHBondContact O-N 3.07Å; L296-A300 WeakPolarHBondContact O-CB 3.43Å; L296-A300 PolarHBondContact O-N 3.39Å
297I94.7Very high92.4Very high102 Ų10262.5 Ų62.552%0.52334%0.34SS..Hα-helixtrans-60.1-44.5174.8-68.3165.5000110.5M293 G294 L295 A300 D301M293-I297 VanDerWaalsContact O-CG1 3.32Å; M293-I297 WeakPolarHBondContact O-CG1 3.37Å; M293-I297 PolarHBondContact O-N 2.87Å; G294-I297 PolarHBondContact O-N 3.36Å; L295-I297 VanDerWaalsContact C-N 3.33Å; L295-I297 PolarHBondContact O-N 2.98Å; I297-A300 PolarHBondContact O-N 3.3Å; I297-D301 PolarHBondContact O-N 2.85Å
298K95.2Very high92.8Very high115 Ų11565.2 Ų65.250%0.537%0.366SS..Hα-helixtrans-66.2-40.8178.4-68-58.8179.8-166.30113G294 L295 L296 A300 D301 I302 A322G294-K298 WeakPolarHBondContact O-CG 3.19Å; G294-K298 PolarHBondContact O-N 3.39Å; L295-K298 PolarHBondContact O-N 2.93Å; L295-K298 VanDerWaalsContact O-N 3.12Å; L296-K298 VanDerWaalsContact C-N 3.33Å; L296-K298 PolarHBondContact O-N 3.1Å; K298-A300 VanDerWaalsContact C-N 3.33Å; K298-D301 PolarHBondContact O-N 3.2Å; K298-I302 WeakPolarHBondContact O-CD1 3.46Å; K298-I302 WeakPolarHBondContact O-CG1 3.41Å; K298-I302 PolarHBondContact O-N 2.88Å; K298-I302 VanDerWaalsContact O-N 3.1Å; K298-A322 HydrophobicContact CB-CB 3.97Å; K298-A322 HydrophobicContact CG-CB 4.49Å
299L95.1Very high92.6Very high8 Ų866.3 Ų66.34%0.04239%0.386CS..Hα-helixtrans-64-40.2176-65.2178.8000111.2L275 V282 L295 L296 I302 E303 M319 F323L275-L299 HydrophobicContact CD2-CD2 3.75Å; V282-L299 HydrophobicContact CG2-CD1 4.23Å; L295-L299 HydrophobicContact CD1-CD1 4.32Å; L295-L299 HydrophobicContact CD1-CD2 4.45Å; L295-L299 HydrophobicContact CD1-CG 4.15Å; L295-L299 HydrophobicContact CG-CD1 4.13Å; L295-L299 HydrophobicContact CG-CG 4.36Å; L295-L299 WeakPolarHBondContact O-CG 3.47Å; L295-L299 PolarHBondContact O-N 3.09Å; L296-L299 PolarHBondContact O-N 3.07Å; L299-I302 PolarHBondContact O-N 3.23Å; L299-E303 PolarHBondContact O-N 3.37Å; L299-M319 HydrophobicContact CD2-CG 4.07Å; L299-F323 HydrophobicContact CD2-CE2 4.11Å
300A95.1Very high92.4Very high50 Ų5064.5 Ų64.541%0.41337%0.373SS..Hα-helixtrans-63.6-42.6175.200000112.6L296 I297 K298 I302 E303 Y304L296-A300 WeakPolarHBondContact O-CB 3.43Å; L296-A300 PolarHBondContact O-N 3.39Å; I297-A300 PolarHBondContact O-N 3.3Å; K298-A300 VanDerWaalsContact C-N 3.33Å; A300-I302 VanDerWaalsContact C-N 3.28Å; A300-I302 PolarHBondContact O-N 3.47Å; A300-E303 PolarHBondContact O-N 3.12Å; A300-Y304 WeakPolarHBondContact O-CB 3.39Å; A300-Y304 PolarHBondContact O-N 3.38Å
301D94.9Very high92.6Very high61 Ų6165.7 Ų65.733%0.32637%0.371SS..Hα-helixtrans-59.4-40.5174.6-77.3-21.5000111.7I297 K298 R305I297-D301 PolarHBondContact O-N 2.85Å; K298-D301 PolarHBondContact O-N 3.2Å; D301-R305 WeakPolarHBondContact O-CD 3.11Å; D301-R305 WeakPolarHBondContact O-CG 3.46Å; D301-R305 PolarHBondContact O-N 2.9Å; D301-R305 VanDerWaalsContact O-N 3.07Å
302I95.4Very high92.6Very high1 Ų168.5 Ų68.51%0.00538%0.384CS..Hα-helixtrans-68.4-46179.4-65.8163.2000110.3L275 K298 L299 A300 Y304 R305 L306 Q315 M319L275-I302 HydrophobicContact CD1-CB 4.49Å; L275-I302 HydrophobicContact CD1-CG2 3.67Å; L275-I302 HydrophobicContact CD2-CG2 4.38Å; K298-I302 WeakPolarHBondContact O-CD1 3.46Å; K298-I302 WeakPolarHBondContact O-CG1 3.41Å; K298-I302 PolarHBondContact O-N 2.88Å; K298-I302 VanDerWaalsContact O-N 3.1Å; L299-I302 PolarHBondContact O-N 3.23Å; A300-I302 VanDerWaalsContact C-N 3.28Å; A300-I302 PolarHBondContact O-N 3.47Å; I302-Y304 VanDerWaalsContact C-N 3.35Å; I302-Y304 PolarHBondContact O-N 3.07Å; I302-R305 PolarHBondContact O-N 3.16Å; I302-L306 HydrophobicContact CG2-CD1 4.25Å; I302-L306 WeakPolarHBondContact O-CG 3.36Å; I302-L306 PolarHBondContact O-N 3.27Å; I302-Q315 HydrophobicContact CG2-CB 3.91Å; I302-M319 HydrophobicContact CD1-CB 4.11Å
303E94.7Very high92.6Very high84 Ų8471.7 Ų71.739%0.39340%0.399SS..Hα-helixtrans-58.6-46176.4-175.8-179.4-142.700111.3L299 A300 R305 L306 A307L299-E303 PolarHBondContact O-N 3.37Å; A300-E303 PolarHBondContact O-N 3.12Å; E303-R305 VanDerWaalsContact C-N 3.34Å; E303-R305 PolarHBondContact O-N 3.4Å; E303-L306 WeakPolarHBondContact O-CB 3.18Å; E303-L306 PolarHBondContact O-N 3.03Å; E303-A307 PolarHBondContact O-N 3.47Å
304Y94.6Very high92.8Very high177 Ų17771.2 Ų71.269%0.69440%0.398SS*.Hα-helixtrans-58.7-44.2175.7177.2-100.6000112.3A300 I302 L306 A307 A308A300-Y304 WeakPolarHBondContact O-CB 3.39Å; A300-Y304 PolarHBondContact O-N 3.38Å; I302-Y304 VanDerWaalsContact C-N 3.35Å; I302-Y304 PolarHBondContact O-N 3.07Å; Y304-L306 VanDerWaalsContact C-N 3.34Å; Y304-L306 PolarHBondContact O-N 2.69Å; Y304-A307 PolarHBondContact O-N 2.96Å; Y304-A308 PolarHBondContact O-N 3.11Å; Y304-A308 VanDerWaalsContact O-N 3.16Å
305R94.3Very high93Very high109 Ų10970.1 Ų70.141%0.41138%0.383SS..Hα-helixtrans-66.2-35.5177.2-70.8165.4-173.5-178.62.3112.2D301 I302 E303 A308 T310D301-R305 WeakPolarHBondContact O-CD 3.11Å; D301-R305 WeakPolarHBondContact O-CG 3.46Å; D301-R305 PolarHBondContact O-N 2.9Å; D301-R305 VanDerWaalsContact O-N 3.07Å; I302-R305 PolarHBondContact O-N 3.16Å; E303-R305 VanDerWaalsContact C-N 3.34Å; E303-R305 PolarHBondContact O-N 3.4Å; R305-A308 PolarHBondContact O-N 3.38Å; R305-T310 VanDerWaalsContact C-OG1 3.22Å; R305-T310 HydrophobicContact CB-CG2 4.21Å; R305-T310 WeakPolarHBondContact O-CB 3.34Å; R305-T310 WeakPolarHBondContact O-CG2 3.5Å; R305-T310 PolarHBondContact O-N 3.21Å; R305-T310 PolarHBondContact O-OG1 2.93Å
306L92.6Very high93.1Very high31 Ų3170.2 Ų70.216%0.16238%0.384CS..Hα-helixtrans-65.2-42.7174.7-75.2170.4000111.2L271 L275 I302 E303 Y304 A308 G309 E312 Q315L271-L306 HydrophobicContact CB-CD1 4.26Å; L271-L306 HydrophobicContact CD2-CD1 3.87Å; L271-L306 HydrophobicContact CD2-CD2 4.17Å; L271-L306 HydrophobicContact CG-CD1 3.87Å; L275-L306 HydrophobicContact CD1-CD1 3.29Å; I302-L306 HydrophobicContact CG2-CD1 4.25Å; I302-L306 WeakPolarHBondContact O-CG 3.36Å; I302-L306 PolarHBondContact O-N 3.27Å; E303-L306 WeakPolarHBondContact O-CB 3.18Å; E303-L306 PolarHBondContact O-N 3.03Å; Y304-L306 VanDerWaalsContact C-N 3.34Å; Y304-L306 PolarHBondContact O-N 2.69Å; L306-A308 PolarHBondContact O-N 2.77Å; L306-G309 PolarHBondContact O-N 3.47Å; L306-E312 HydrophobicContact CD2-CB 4.43Å; L306-E312 HydrophobicContact CD2-CG 4.08Å; L306-Q315 HydrophobicContact CD1-CB 4.5Å; L306-Q315 HydrophobicContact CD2-CB 3.76Å; L306-Q315 HydrophobicContact CD2-CG 3.67Å; L306-Q315 HydrophobicContact CG-CB 4.06Å; L306-Q315 HydrophobicContact CG-CG 3.93Å
307A91Very high93.2Very high89 Ų8969.9 Ų69.974%0.73639%0.385SS*.Hα-helixtrans-61.2-28.9175.900000113E303 Y304 G309E303-A307 PolarHBondContact O-N 3.47Å; Y304-A307 PolarHBondContact O-N 2.96Å; A307-G309 VanDerWaalsContact C-N 3.26Å; A307-G309 PolarHBondContact O-N 3.11Å
308A91.4Very high93.2Very high73 Ų7366.9 Ų66.960%0.60337%0.373SS*.THydrogen-bonded Turntrans-803.8175.700000114.7Y304 R305 L306Y304-A308 PolarHBondContact O-N 3.11Å; Y304-A308 VanDerWaalsContact O-N 3.16Å; R305-A308 PolarHBondContact O-N 3.38Å; L306-A308 PolarHBondContact O-N 2.77Å
309G84.1Confident93.3Very high69 Ų6961.4 Ų61.471%0.71135%0.349SS*.THydrogen-bonded Turntrans80.530.4176.700000114.7L306 A307L306-G309 PolarHBondContact O-N 3.47Å; A307-G309 VanDerWaalsContact C-N 3.26Å; A307-G309 PolarHBondContact O-N 3.11Å
310T86.6Confident93.4Very high59 Ų5961 Ų6136%0.36235%0.347SS..  trans-79.8171.6179.763.90000113.6R305 E312 Q315R305-T310 VanDerWaalsContact C-OG1 3.22Å; R305-T310 HydrophobicContact CB-CG2 4.21Å; R305-T310 WeakPolarHBondContact O-CB 3.34Å; R305-T310 WeakPolarHBondContact O-CG2 3.5Å; R305-T310 PolarHBondContact O-N 3.21Å; R305-T310 PolarHBondContact O-OG1 2.93Å; T310-E312 PolarHBondContact O-N 3.43Å; T310-Q315 WeakPolarHBondContact OG1-CG 3.46Å; T310-Q315 PolarHBondContact OG1-NE2 3.17Å
311N91.9Very high93.4Very high89 Ų8960.7 Ų60.748%0.47635%0.345SS..  trans-67.9113.1179.7-173.7-45.4000111.9K313 I314 Q315N311-K313 VanDerWaalsContact C-N 3.29Å; N311-K313 PolarHBondContact O-N 3.24Å; N311-K313 WeakPolarHBondContact OD1-CB 3.35Å; N311-K313 PolarHBondContact OD1-N 3.03Å; N311-I314 HydrophobicContact CB-CB 4.33Å; N311-I314 HydrophobicContact CB-CD1 3.94Å; N311-I314 HydrophobicContact CB-CG1 4.04Å; N311-I314 WeakPolarHBondContact O-CB 3.29Å; N311-I314 PolarHBondContact O-N 3Å; N311-I314 VanDerWaalsContact O-N 3.11Å; N311-I314 PolarHBondContact OD1-N 3.29Å; N311-Q315 PolarHBondContact O-N 3.45Å; N311-Q315 VanDerWaalsContact O-N 3.12Å
312E90.1Very high93.4Very high66 Ų6658.3 Ų58.331%0.30833%0.333SS..Hα-helixtrans-62.4-30.7-176.8-160.4-179.3-178.100113.9K264 L271 L306 T310 I314 Q315 L316K264-E312 WeakPolarHBondContact CE-OE1 3.48Å; K264-E312 IonicContact NZ-OE1 3.93Å; K264-E312 PolarHBondContact NZ-OE1 3.34Å; K264-E312 IonicContact NZ-OE2 2.61Å; K264-E312 PolarHBondContact NZ-OE2 2.91Å; L271-E312 HydrophobicContact CB-CG 3.68Å; L271-E312 WeakPolarHBondContact CB-OE1 3.17Å; L271-E312 HydrophobicContact CD2-CG 3.92Å; L271-E312 HydrophobicContact CG-CG 4.48Å; L271-E312 PolarHBondContact N-OE1 2.95Å; L306-E312 HydrophobicContact CD2-CB 4.43Å; L306-E312 HydrophobicContact CD2-CG 4.08Å; T310-E312 PolarHBondContact O-N 3.43Å; E312-I314 VanDerWaalsContact C-N 3.35Å; E312-Q315 PolarHBondContact O-N 2.98Å; E312-L316 WeakPolarHBondContact O-CB 3.32Å; E312-L316 PolarHBondContact O-N 3.29Å
313K92.4Very high93.3Very high131 Ų13158.3 Ų58.357%0.5733%0.333SS*.Hα-helixtrans-66.4-38.7175.9-66-176.9179179.40111.4N311 S317N311-K313 VanDerWaalsContact C-N 3.29Å; N311-K313 PolarHBondContact O-N 3.24Å; N311-K313 WeakPolarHBondContact OD1-CB 3.35Å; N311-K313 PolarHBondContact OD1-N 3.03Å; K313-S317 PolarHBondContact O-N 3.11Å; K313-S317 VanDerWaalsContact O-N 3.07Å; K313-S317 PolarHBondContact O-OG 3.49Å; K313-S317 VanDerWaalsContact O-OG 3.14Å
314I94.8Very high93.2Very high105 Ų10555.5 Ų55.554%0.53832%0.32SS..Hα-helixtrans-67.6-42.8176.5-61.7-179.5000109.8N311 E312 S317 S318N311-I314 HydrophobicContact CB-CB 4.33Å; N311-I314 HydrophobicContact CB-CD1 3.94Å; N311-I314 HydrophobicContact CB-CG1 4.04Å; N311-I314 WeakPolarHBondContact O-CB 3.29Å; N311-I314 PolarHBondContact O-N 3Å; N311-I314 VanDerWaalsContact O-N 3.11Å; N311-I314 PolarHBondContact OD1-N 3.29Å; E312-I314 VanDerWaalsContact C-N 3.35Å; I314-S317 WeakPolarHBondContact O-CB 3.42Å; I314-S317 PolarHBondContact O-N 3.35Å; I314-S318 PolarHBondContact O-N 3.45Å
315Q95.9Very high93Very high11 Ų1149.6 Ų49.65%0.05131%0.308CS..Hα-helixtrans-66.1-37.6177.7-61.9-45.5-30.600112.3L271 I302 L306 T310 N311 E312 S318 M319L271-Q315 HydrophobicContact CD2-CB 3.75Å; I302-Q315 HydrophobicContact CG2-CB 3.91Å; L306-Q315 HydrophobicContact CD1-CB 4.5Å; L306-Q315 HydrophobicContact CD2-CB 3.76Å; L306-Q315 HydrophobicContact CD2-CG 3.67Å; L306-Q315 HydrophobicContact CG-CB 4.06Å; L306-Q315 HydrophobicContact CG-CG 3.93Å; T310-Q315 WeakPolarHBondContact OG1-CG 3.46Å; T310-Q315 PolarHBondContact OG1-NE2 3.17Å; N311-Q315 PolarHBondContact O-N 3.45Å; N311-Q315 VanDerWaalsContact O-N 3.12Å; E312-Q315 PolarHBondContact O-N 2.98Å; Q315-S318 WeakPolarHBondContact O-CB 3.4Å; Q315-S318 PolarHBondContact O-N 2.75Å; Q315-M319 PolarHBondContact O-N 3.28Å
316L95.7Very high92.7Very high3 Ų344.7 Ų44.72%0.01629%0.29CS..Hα-helixtrans-60.8-47.6172.6175.859.4000111.1Y257 V260 L261 L271 E312 S318 M319 V320Y257-L316 HydrophobicContact CD2-CD2 4.18Å; Y257-L316 HydrophobicContact CD2-CG 3.99Å; Y257-L316 HydrophobicContact CE2-CB 4.23Å; Y257-L316 HydrophobicContact CE2-CD2 3.81Å; Y257-L316 HydrophobicContact CE2-CG 3.81Å; V260-L316 HydrophobicContact CB-CD1 4.08Å; V260-L316 HydrophobicContact CG1-CD1 3.53Å; L261-L316 HydrophobicContact CB-CD2 3.97Å; L261-L316 HydrophobicContact CD1-CD2 4.07Å; L271-L316 HydrophobicContact CD1-CB 4.49Å; L271-L316 HydrophobicContact CD1-CD1 3.96Å; L271-L316 HydrophobicContact CD2-CB 3.99Å; E312-L316 WeakPolarHBondContact O-CB 3.32Å; E312-L316 PolarHBondContact O-N 3.29Å; L316-S318 VanDerWaalsContact C-N 3.27Å; L316-S318 PolarHBondContact O-N 3.3Å; L316-M319 HydrophobicContact CD1-CE 3.91Å; L316-M319 WeakPolarHBondContact O-CB 3.13Å; L316-M319 PolarHBondContact O-N 3.29Å; L316-M319 VanDerWaalsContact O-N 3.17Å; L316-V320 HydrophobicContact CD1-CG2 4.42Å; L316-V320 WeakPolarHBondContact O-CG2 3.38Å; L316-V320 PolarHBondContact O-N 3.12Å
317S96.2Very high92.3Very high35 Ų3547.9 Ų47.925%0.24530%0.3CS..Hα-helixtrans-57.6-42.3174-63.40000111.6F253 Y257 K313 I314 M319 V320 A321F253-S317 WeakPolarHBondContact CE2-O 3.45Å; Y257-S317 WeakPolarHBondContact CE2-OG 3.4Å; K313-S317 PolarHBondContact O-N 3.11Å; K313-S317 VanDerWaalsContact O-N 3.07Å; K313-S317 PolarHBondContact O-OG 3.49Å; K313-S317 VanDerWaalsContact O-OG 3.14Å; I314-S317 WeakPolarHBondContact O-CB 3.42Å; I314-S317 PolarHBondContact O-N 3.35Å; S317-M319 VanDerWaalsContact C-N 3.33Å; S317-M319 PolarHBondContact O-N 3.12Å; S317-V320 PolarHBondContact O-N 3.17Å; S317-A321 VanDerWaalsContact O-CB 3.29Å; S317-A321 WeakPolarHBondContact O-CB 3.21Å; S317-A321 PolarHBondContact O-N 3.49Å
318S96.1Very high92Very high38 Ų3848.5 Ų48.527%0.26629%0.291SS..Hα-helixtrans-63-38.5177.3-1690000112.2I314 Q315 L316 A322I314-S318 PolarHBondContact O-N 3.45Å; Q315-S318 WeakPolarHBondContact O-CB 3.4Å; Q315-S318 PolarHBondContact O-N 2.75Å; L316-S318 VanDerWaalsContact C-N 3.27Å; L316-S318 PolarHBondContact O-N 3.3Å; S318-A322 WeakPolarHBondContact O-CB 3.29Å; S318-A322 PolarHBondContact O-N 3.35Å
319M96Very high91.7Very high0 Ų049.4 Ų49.40%029%0.285CS..Hα-helixtrans-63.5-52.2176.5-175.1-172.58200110.5I244 V260 L271 I274 L275 L299 I302 Q315 L316 S317 A321 A322 F323I244-M319 HydrophobicContact CG2-CE 4.18Å; V260-M319 HydrophobicContact CG1-CE 4.34Å; L271-M319 HydrophobicContact CD1-CE 4.33Å; L271-M319 HydrophobicContact CD1-SD 3.94Å; I274-M319 HydrophobicContact CG2-CE 4.31Å; I274-M319 HydrophobicContact CG2-SD 4.38Å; L275-M319 HydrophobicContact CD2-CB 4.45Å; L275-M319 HydrophobicContact CD2-CG 3.81Å; L275-M319 HydrophobicContact CD2-SD 3.48Å; L275-M319 WeakPolarHBondContact CD2-SD 3.31Å; L275-M319 HydrophobicContact CG-SD 4.05Å; L299-M319 HydrophobicContact CD2-CG 4.07Å; I302-M319 HydrophobicContact CD1-CB 4.11Å; Q315-M319 PolarHBondContact O-N 3.28Å; L316-M319 HydrophobicContact CD1-CE 3.91Å; L316-M319 WeakPolarHBondContact O-CB 3.13Å; L316-M319 PolarHBondContact O-N 3.29Å; L316-M319 VanDerWaalsContact O-N 3.17Å; S317-M319 VanDerWaalsContact C-N 3.33Å; S317-M319 PolarHBondContact O-N 3.12Å; M319-A321 VanDerWaalsContact C-N 3.3Å; M319-A321 PolarHBondContact O-N 2.61Å; M319-A322 WeakPolarHBondContact O-CB 3.44Å; M319-A322 PolarHBondContact O-N 3.43Å; M319-A322 VanDerWaalsContact O-N 3.14Å; M319-F323 HydrophobicContact CG-CD2 4.37Å; M319-F323 HydrophobicContact CG-CE2 4.19Å; M319-F323 WeakPolarHBondContact O-CD2 3.44Å; M319-F323 PolarHBondContact O-N 3.05Å
320V96.6Very high91.6Very high0 Ų048.4 Ų48.40%027%0.265CS..Hα-helixtrans-59.6-43.3178.7179.70000110.6F253 A256 L316 S317 A322 F323 Q324F253-V320 HydrophobicContact CD2-CB 4.21Å; F253-V320 HydrophobicContact CD2-CG1 3.67Å; F253-V320 HydrophobicContact CE2-CB 4.02Å; F253-V320 HydrophobicContact CE2-CG1 4Å; F253-V320 HydrophobicContact CG-CG1 4.41Å; A256-V320 HydrophobicContact CB-CG1 3.78Å; L316-V320 HydrophobicContact CD1-CG2 4.42Å; L316-V320 WeakPolarHBondContact O-CG2 3.38Å; L316-V320 PolarHBondContact O-N 3.12Å; S317-V320 PolarHBondContact O-N 3.17Å; V320-A322 VanDerWaalsContact C-N 3.32Å; V320-A322 PolarHBondContact O-N 3.4Å; V320-F323 PolarHBondContact O-N 3.28Å; V320-Q324 WeakPolarHBondContact O-CG 3.47Å; V320-Q324 PolarHBondContact O-N 3.39Å; V320-Q324 VanDerWaalsContact O-N 3.11Å
321A95.9Very high91.3Very high44 Ų4449.9 Ų49.936%0.36427%0.274SS..Hα-helixtrans-61.7-37.1177.600000112.8F253 S317 M319 F323 Q324 A325F253-A321 HydrophobicContact CD2-CB 4.47Å; F253-A321 HydrophobicContact CE2-CB 4.03Å; S317-A321 VanDerWaalsContact O-CB 3.29Å; S317-A321 WeakPolarHBondContact O-CB 3.21Å; S317-A321 PolarHBondContact O-N 3.49Å; M319-A321 VanDerWaalsContact C-N 3.3Å; M319-A321 PolarHBondContact O-N 2.61Å; A321-F323 PolarHBondContact O-N 3.37Å; A321-Q324 PolarHBondContact O-N 3.14Å; A321-A325 WeakPolarHBondContact O-CB 3.47Å; A321-A325 PolarHBondContact O-N 3.33Å
322A95.3Very high90.6Very high11 Ų1148.8 Ų48.89%0.09127%0.273CS..Hα-helixtrans-62.3-42.3177.200000112L295 K298 S318 M319 V320 A325 V326L295-A322 HydrophobicContact CD1-CB 4.14Å; K298-A322 HydrophobicContact CB-CB 3.97Å; K298-A322 HydrophobicContact CG-CB 4.49Å; S318-A322 WeakPolarHBondContact O-CB 3.29Å; S318-A322 PolarHBondContact O-N 3.35Å; M319-A322 WeakPolarHBondContact O-CB 3.44Å; M319-A322 PolarHBondContact O-N 3.43Å; M319-A322 VanDerWaalsContact O-N 3.14Å; V320-A322 VanDerWaalsContact C-N 3.32Å; V320-A322 PolarHBondContact O-N 3.4Å; A322-A325 PolarHBondContact O-N 2.97Å; A322-V326 WeakPolarHBondContact O-CG2 3.38Å; A322-V326 PolarHBondContact O-N 3.33Å; A322-V326 VanDerWaalsContact O-N 3.12Å
323F93.8Very high89.8Confident1 Ų151.2 Ų51.20%0.00428%0.284CS..Hα-helixtrans-66.2-38.6175.2-80.5-81.6000112.8L245 C248 L249 V278 V282 L295 L299 M319 V320 A321 V326 R327L245-F323 HydrophobicContact CD1-CD1 4.37Å; L245-F323 HydrophobicContact CD1-CE1 3.54Å; L245-F323 HydrophobicContact CD1-CZ 3.97Å; C248-F323 HydrophobicContact CB-CB 3.77Å; C248-F323 HydrophobicContact CB-CD1 4.2Å; C248-F323 HydrophobicContact CB-CD2 3.91Å; C248-F323 HydrophobicContact CB-CG 3.7Å; L249-F323 HydrophobicContact CD2-CD1 3.79Å; L249-F323 HydrophobicContact CD2-CE1 4.47Å; L249-F323 HydrophobicContact CG-CD1 4.24Å; V278-F323 HydrophobicContact CG1-CE2 3.93Å; V278-F323 HydrophobicContact CG1-CZ 3.5Å; V278-F323 VanDerWaalsContact CG1-CZ 3.5Å; V282-F323 HydrophobicContact CG2-CE1 4.06Å; V282-F323 HydrophobicContact CG2-CZ 3.89Å; L295-F323 HydrophobicContact CD1-CD1 4.34Å; L295-F323 HydrophobicContact CD1-CD2 4.4Å; L295-F323 HydrophobicContact CD1-CE1 4.29Å; L295-F323 HydrophobicContact CD1-CE2 4.33Å; L295-F323 HydrophobicContact CD1-CG 4.39Å; L295-F323 HydrophobicContact CD1-CZ 4.26Å; L295-F323 HydrophobicContact CD2-CD1 4.05Å; L295-F323 HydrophobicContact CD2-CE1 3.61Å; L295-F323 HydrophobicContact CD2-CZ 4.07Å; L299-F323 HydrophobicContact CD2-CE2 4.11Å; M319-F323 HydrophobicContact CG-CD2 4.37Å; M319-F323 HydrophobicContact CG-CE2 4.19Å; M319-F323 WeakPolarHBondContact O-CD2 3.44Å; M319-F323 PolarHBondContact O-N 3.05Å; V320-F323 PolarHBondContact O-N 3.28Å; A321-F323 PolarHBondContact O-N 3.37Å; F323-V326 WeakPolarHBondContact O-CB 3.39Å; F323-V326 PolarHBondContact O-N 2.91Å; F323-R327 PolarHBondContact O-N 3.32Å
324Q91.7Very high88.6Confident25 Ų2549.2 Ų49.212%0.11729%0.293CS..Hα-helixtrans-66.3-39.5176.1-65.1-64.9-30.200112.2C248 K251 V320 A321 V326 R327 N328C248-Q324 PolarHBondContact O-NE2 2.98Å; C248-Q324 VanDerWaalsContact O-NE2 3.17Å; K251-Q324 PolarHBondContact O-NE2 3.14Å; V320-Q324 WeakPolarHBondContact O-CG 3.47Å; V320-Q324 PolarHBondContact O-N 3.39Å; V320-Q324 VanDerWaalsContact O-N 3.11Å; A321-Q324 PolarHBondContact O-N 3.14Å; Q324-V326 VanDerWaalsContact C-N 3.32Å; Q324-V326 PolarHBondContact O-N 2.95Å; Q324-R327 WeakPolarHBondContact O-CB 3.34Å; Q324-R327 PolarHBondContact O-N 3.06Å; Q324-N328 PolarHBondContact O-N 3.31Å
325A90.7Very high86.7Confident52 Ų5251.1 Ų51.143%0.4332%0.315SS..Hα-helixtrans-61.4-43.5175.100000111.3A321 A322 N328 L329A321-A325 WeakPolarHBondContact O-CB 3.47Å; A321-A325 PolarHBondContact O-N 3.33Å; A322-A325 PolarHBondContact O-N 2.97Å; A325-N328 PolarHBondContact O-N 2.96Å; A325-L329 WeakPolarHBondContact O-CG 3.49Å; A325-L329 PolarHBondContact O-N 3.48Å; A325-L329 VanDerWaalsContact O-N 3.1Å
326V87.4Confident86.2Confident7 Ų753.2 Ų53.24%0.04233%0.328CS..Hα-helixtrans-59.1-48174.3159.10000111.6F287 I291 L295 A322 F323 Q324 N328 L329 V330F287-V326 HydrophobicContact CD1-CG1 4.16Å; F287-V326 HydrophobicContact CE1-CG1 3.88Å; F287-V326 HydrophobicContact CZ-CG1 4.47Å; I291-V326 HydrophobicContact CG2-CB 4.05Å; I291-V326 HydrophobicContact CG2-CG1 3.39Å; I291-V326 HydrophobicContact CG2-CG2 3.96Å; L295-V326 HydrophobicContact CB-CG2 3.84Å; L295-V326 HydrophobicContact CD1-CG2 4.11Å; L295-V326 HydrophobicContact CD2-CG2 4.39Å; L295-V326 HydrophobicContact CG-CG2 4.31Å; A322-V326 WeakPolarHBondContact O-CG2 3.38Å; A322-V326 PolarHBondContact O-N 3.33Å; A322-V326 VanDerWaalsContact O-N 3.12Å; F323-V326 WeakPolarHBondContact O-CB 3.39Å; F323-V326 PolarHBondContact O-N 2.91Å; Q324-V326 VanDerWaalsContact C-N 3.32Å; Q324-V326 PolarHBondContact O-N 2.95Å; V326-N328 VanDerWaalsContact C-N 3.3Å; V326-N328 PolarHBondContact O-N 3.14Å; V326-L329 PolarHBondContact O-N 3.35Å; V326-L329 VanDerWaalsContact O-N 3.14Å; V326-V330 HydrophobicContact CG1-CG2 4.41Å; V326-V330 WeakPolarHBondContact O-CG2 3.5Å; V326-V330 PolarHBondContact O-N 2.93Å
327R84.4Confident85.7Confident97 Ų9755.8 Ų55.837%0.36635%0.345SS..Hα-helixtrans-54.9-46.5176.9176.7-167.9166.7-179.7-0.9111.6L249 K251 F323 Q324 L329 V330 V331L249-R327 WeakPolarHBondContact O-CD 3.06Å; K251-R327 PolarHBondContact O-NH1 3.47Å; F323-R327 PolarHBondContact O-N 3.32Å; Q324-R327 WeakPolarHBondContact O-CB 3.34Å; Q324-R327 PolarHBondContact O-N 3.06Å; R327-L329 VanDerWaalsContact C-N 3.31Å; R327-L329 PolarHBondContact O-N 3.43Å; R327-V330 PolarHBondContact O-N 3.08Å; R327-V331 WeakPolarHBondContact O-CG2 3.43Å; R327-V331 PolarHBondContact O-N 3.29Å
328N84.8Confident85.1Confident103 Ų10356.9 Ų56.955%0.55135%0.351SS*.Hα-helixtrans-63.5-38.4179.9-67.3-16000112.1Q324 A325 V326 V331 S332Q324-N328 PolarHBondContact O-N 3.31Å; A325-N328 PolarHBondContact O-N 2.96Å; V326-N328 VanDerWaalsContact C-N 3.3Å; V326-N328 PolarHBondContact O-N 3.14Å; N328-V331 PolarHBondContact O-N 3.16Å; N328-S332 WeakPolarHBondContact O-CB 3.39Å; N328-S332 PolarHBondContact O-N 3.01Å; N328-S332 PolarHBondContact O-OG 2.75Å
329L85.1Confident84.5Confident91 Ų9158.1 Ų58.148%0.47636%0.356SS..Hα-helixtrans-66-44.3176.2-68.8170.5000111.9I291 A325 V326 R327 V331 S332 E333I291-L329 HydrophobicContact CD1-CB 3.93Å; I291-L329 HydrophobicContact CG1-CB 4.34Å; A325-L329 WeakPolarHBondContact O-CG 3.49Å; A325-L329 PolarHBondContact O-N 3.48Å; A325-L329 VanDerWaalsContact O-N 3.1Å; V326-L329 PolarHBondContact O-N 3.35Å; V326-L329 VanDerWaalsContact O-N 3.14Å; R327-L329 VanDerWaalsContact C-N 3.31Å; R327-L329 PolarHBondContact O-N 3.43Å; L329-V331 VanDerWaalsContact C-N 3.34Å; L329-V331 PolarHBondContact O-N 3.36Å; L329-S332 WeakPolarHBondContact CA-OG 3.49Å; L329-S332 PolarHBondContact O-N 3.47Å; L329-S332 PolarHBondContact O-OG 3.32Å; L329-E333 PolarHBondContact O-N 3.2Å
330V82Confident83.8Confident49 Ų4961.7 Ų61.730%0.29738%0.378SS..Hα-helixtrans-60.7-44.4176.9175.60000110.8I291 V326 R327 S332 E333 A334I291-V330 HydrophobicContact CD1-CB 4.26Å; I291-V330 HydrophobicContact CD1-CG2 3.49Å; I291-V330 VanDerWaalsContact CD1-CG2 3.49Å; I291-V330 HydrophobicContact CG2-CG2 4.06Å; V326-V330 HydrophobicContact CG1-CG2 4.41Å; V326-V330 WeakPolarHBondContact O-CG2 3.5Å; V326-V330 PolarHBondContact O-N 2.93Å; R327-V330 PolarHBondContact O-N 3.08Å; V330-S332 VanDerWaalsContact C-N 3.32Å; V330-S332 PolarHBondContact O-N 3.27Å; V330-E333 PolarHBondContact O-N 3.01Å; V330-A334 WeakPolarHBondContact O-CB 3.37Å; V330-A334 PolarHBondContact O-N 3.1Å; V330-A334 VanDerWaalsContact O-N 3.16Å
331V80.6Confident82.9Confident89 Ų8965.8 Ų65.854%0.53940%0.403SS..Hα-helixtrans-62.2-42177.2173.40000110.7R327 N328 L329 A334 S335R327-V331 WeakPolarHBondContact O-CG2 3.43Å; R327-V331 PolarHBondContact O-N 3.29Å; N328-V331 PolarHBondContact O-N 3.16Å; L329-V331 VanDerWaalsContact C-N 3.34Å; L329-V331 PolarHBondContact O-N 3.36Å; V331-A334 PolarHBondContact O-N 2.95Å; V331-S335 PolarHBondContact O-N 3.45Å; V331-S335 PolarHBondContact O-OG 3.5Å; V331-S335 VanDerWaalsContact O-OG 3.08Å
332S76.8Confident82Confident66 Ų6667.4 Ų67.446%0.46241%0.406SS..Hα-helixtrans-69.4-28.717966.30000114.6N328 L329 V330 S335N328-S332 WeakPolarHBondContact O-CB 3.39Å; N328-S332 PolarHBondContact O-N 3.01Å; N328-S332 PolarHBondContact O-OG 2.75Å; L329-S332 WeakPolarHBondContact CA-OG 3.49Å; L329-S332 PolarHBondContact O-N 3.47Å; L329-S332 PolarHBondContact O-OG 3.32Å; V330-S332 VanDerWaalsContact C-N 3.32Å; V330-S332 PolarHBondContact O-N 3.27Å; S332-S335 PolarHBondContact O-OG 3.34Å
333E73.5Confident81Confident117 Ų11771.7 Ų71.755%0.54743%0.43SS..Hα-helixtrans-78.1-22.3174.6-75-175.2169.900112.4I291 L329 V330I291-E333 WeakPolarHBondContact CD1-OE2 3.45Å; L329-E333 PolarHBondContact O-N 3.2Å; V330-E333 PolarHBondContact O-N 3.01Å
334A67.5Low79.9Confident90 Ų9077.6 Ų77.674%0.74447%0.465SS*.Hα-helixtrans-89.8-14.9-17900000114V330 V331V330-A334 WeakPolarHBondContact O-CB 3.37Å; V330-A334 PolarHBondContact O-N 3.1Å; V330-A334 VanDerWaalsContact O-N 3.16Å; V331-A334 PolarHBondContact O-N 2.95Å
335S54.6Low78.9Confident145 Ų14582.4 Ų82.4100%1.01450%0.497SS*.  trans-102.50179550000112.1V331 S332V331-S335 PolarHBondContact O-N 3.45Å; V331-S335 PolarHBondContact O-OG 3.5Å; V331-S335 VanDerWaalsContact O-OG 3.08Å; S332-S335 PolarHBondContact O-OG 3.34Å

Retrieved 335 of 335 residues in 120.3 ms (Link to these results)

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