A0A093HCW1_STRCA Loading...

Gamma-aminobutyric acid receptor subunit delta

AlphaFold DB , UniProt , Accession A0A093HCW1, Species STRCA (Struthio camelus australis), Gene n/a, Length 429 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
1A48.9Very low53.6Low150 Ų150133.9 Ų133.9100%1.2479%0.787SS**  085.8000000108.2
2M51.8Low53Low167 Ų167137.3 Ų137.382%0.82380%0.799SS**  trans-159.360.5169.3-109.4175.579.600105.4
3N51.5Low53.2Low154 Ų154135.2 Ų135.282%0.82478%0.781SS**  trans-108.413.7179.7-74.624.5000111.9I5N3-I5 VanDerWaalsContact C-N 3.32Å
4D55.1Low53.1Low172 Ų172137.9 Ų137.992%0.9278%0.783SS**  trans-87.30.6-178.1-99.2-4.6000114
5I58.2Low53.4Low110 Ų110134.9 Ų134.956%0.56476%0.762SS**SBendtrans-103.1100.6171.7-46.1177.4000105.2N3 Y8N3-I5 VanDerWaalsContact C-N 3.32Å; I5-Y8 HydrophobicContact CG2-CD2 4.28Å; I5-Y8 HydrophobicContact CG2-CE2 3.34Å
6G55.4Low53.7Low55 Ų55133.2 Ų133.257%0.56776%0.762SS**  trans-51.9156.6-175.300000113.3Y8G6-Y8 PolarHBondContact O-N 3.37Å
7D53.1Low54.2Low166 Ų166132.2 Ų132.289%0.88874%0.743SS**  trans-52.2103.5-177.8-75.1-31000111.2I9D7-I9 PolarHBondContact O-N 3.44Å
8Y57.2Low54.8Low198 Ų198130 Ų13078%0.77673%0.729SS**  trans-66.3107.1165.2-71.2-78.1000107.2I5 G6 G10I5-Y8 HydrophobicContact CG2-CD2 4.28Å; I5-Y8 HydrophobicContact CG2-CE2 3.34Å; G6-Y8 PolarHBondContact O-N 3.37Å; Y8-G10 PolarHBondContact O-N 3.13Å
9I55.5Low55.4Low156 Ų156123.9 Ų123.980%0.870%0.695SS**  trans-65.691.4160.3-59.3175.2000105.5D7 S11D7-I9 PolarHBondContact O-N 3.44Å; I9-S11 PolarHBondContact O-N 3.01Å
10G50.1Low56.6Low72 Ų72122.1 Ų122.174%0.74268%0.684SS**  trans-63.77717200000109.7Y8Y8-G10 PolarHBondContact O-N 3.13Å
11S53.3Low57.7Low73 Ų73118.6 Ų118.651%0.5166%0.663SS.*  trans-70.8125.4150.640.20000105.5I9 I13I9-S11 PolarHBondContact O-N 3.01Å; S11-I13 PolarHBondContact O-N 3.45Å; S11-I13 VanDerWaalsContact OG-CD1 3.32Å; S11-I13 WeakPolarHBondContact OG-CD1 3.48Å; S11-I13 VanDerWaalsContact OG-CG1 3.24Å; S11-I13 WeakPolarHBondContact OG-CG1 3.41Å
12N45.6Very low59.3Low174 Ų174116.8 Ų116.893%0.9363%0.633SS**  trans-63.476.9163.6-80.6-25.4000107.1E14N12-E14 PolarHBondContact O-N 3.38Å
13I56Low60.8Low111 Ų111113.8 Ų113.857%0.56962%0.62SS**  trans-80.694.6171.3-54.5175.3000104.3S11 I15S11-I13 PolarHBondContact O-N 3.45Å; S11-I13 VanDerWaalsContact OG-CD1 3.32Å; S11-I13 WeakPolarHBondContact OG-CD1 3.48Å; S11-I13 VanDerWaalsContact OG-CG1 3.24Å; S11-I13 WeakPolarHBondContact OG-CG1 3.41Å; I13-I15 VanDerWaalsContact C-N 3.3Å; I13-I15 HydrophobicContact CB-CG1 4.41Å; I13-I15 HydrophobicContact CG2-CG1 3.76Å; I13-I15 PolarHBondContact O-N 3.35Å
14E51.9Low62.4Low173 Ų173107.9 Ų107.981%0.80859%0.588SS**  trans-61.3104.7153.5-78.5-174.4166.100106.2N12 S16N12-E14 PolarHBondContact O-N 3.38Å; E14-S16 PolarHBondContact O-N 3.14Å
15I58.1Low64Low92 Ų92101.1 Ų101.147%0.47255%0.552SS.*  trans-76.271177.4-54.1168.4000108I13 W17 L18I13-I15 VanDerWaalsContact C-N 3.3Å; I13-I15 HydrophobicContact CB-CG1 4.41Å; I13-I15 HydrophobicContact CG2-CG1 3.76Å; I13-I15 PolarHBondContact O-N 3.35Å; I15-W17 HydrophobicContact CG2-CD2 3.85Å; I15-W17 VanDerWaalsContact CG2-CE2 3.47Å; I15-W17 HydrophobicContact CG2-CG 4.09Å; I15-W17 HydrophobicContact CG2-CZ2 3.92Å; I15-W17 PolarHBondContact O-N 3.03Å; I15-L18 HydrophobicContact CB-CD1 4.37Å; I15-L18 HydrophobicContact CG2-CB 3.99Å; I15-L18 HydrophobicContact CG2-CD1 3.27Å; I15-L18 HydrophobicContact CG2-CG 4.14Å
16S57.9Low65.5Low108 Ų108104.1 Ų104.176%0.75556%0.561SS**THydrogen-bonded Turntrans-73.1-9.9179.7570000113.3E14E14-S16 PolarHBondContact O-N 3.14Å
17W61.5Low66.9Low117 Ų117105.4 Ų105.444%0.44357%0.573SS.*THydrogen-bonded Turntrans-90.7-16.2-177.963.1-102.5000113.8I15 P19 T82 L86I15-W17 HydrophobicContact CG2-CD2 3.85Å; I15-W17 VanDerWaalsContact CG2-CE2 3.47Å; I15-W17 HydrophobicContact CG2-CG 4.09Å; I15-W17 HydrophobicContact CG2-CZ2 3.92Å; I15-W17 PolarHBondContact O-N 3.03Å; W17-P19 WeakPolarHBondContact O-CD 3.33Å; W17-T82 HydrophobicContact CB-CG2 3.69Å; W17-T82 HydrophobicContact CD2-CG2 4.09Å; W17-T82 HydrophobicContact CE3-CG2 3.55Å; W17-T82 HydrophobicContact CG-CG2 4.21Å; W17-T82 HydrophobicContact CZ3-CG2 4.44Å; W17-T82 WeakPolarHBondContact O-CG2 3.44Å; W17-L86 HydrophobicContact CZ3-CD2 4.27Å
18L65.1Low68.7Low92 Ų9299 Ų9948%0.48254%0.537SS..SBendtrans-70.5124.3176.4-108.9124.5000109.2I15 N20 L86I15-L18 HydrophobicContact CB-CD1 4.37Å; I15-L18 HydrophobicContact CG2-CB 3.99Å; I15-L18 HydrophobicContact CG2-CD1 3.27Å; I15-L18 HydrophobicContact CG2-CG 4.14Å; L18-N20 PolarHBondContact O-N 3.45Å; L18-L86 HydrophobicContact CD2-CD2 4.42Å
19P66.6Low70.3Confident15 Ų1591.5 Ų91.510%0.09752%0.516CS..  trans-63.4138.6175.824.5-30.2000109.6W17 L21 Y79 L86W17-P19 WeakPolarHBondContact O-CD 3.33Å; P19-L21 PolarHBondContact O-N 3.12Å; P19-Y79 HydrophobicContact CG-CD2 4.29Å; P19-Y79 HydrophobicContact CG-CG 4.38Å; P19-L86 HydrophobicContact CG-CD1 3.46Å; P19-L86 VanDerWaalsContact CG-CD1 3.46Å
20N78.7Confident72Confident86 Ų8690.3 Ų90.346%0.4650%0.502SS..  trans-64.7109.8170.5-177.7-0.2000108.5L18 D22 D23 L24L18-N20 PolarHBondContact O-N 3.45Å; N20-D22 PolarHBondContact O-N 3.45Å; N20-D22 PolarHBondContact OD1-N 3.45Å; N20-D22 VanDerWaalsContact OD1-N 3.15Å; N20-D23 HydrophobicContact CB-CB 4.11Å; N20-D23 WeakPolarHBondContact CB-OD2 3.35Å; N20-D23 PolarHBondContact ND2-OD2 2.91Å; N20-D23 PolarHBondContact O-N 3.45Å; N20-D23 VanDerWaalsContact O-N 3.1Å; N20-L24 PolarHBondContact O-N 3.29Å
21L80.8Confident73.9Confident50 Ų5092.8 Ų92.826%0.26250%0.498SS..Hα-helixtrans-63.9-30-175.4-166.659.6000112P19 D23 L24 M25 L88 F92P19-L21 PolarHBondContact O-N 3.12Å; L21-D23 VanDerWaalsContact C-N 3.34Å; L21-L24 HydrophobicContact CD1-CD2 4.13Å; L21-L24 PolarHBondContact O-N 2.93Å; L21-M25 WeakPolarHBondContact O-CB 3.43Å; L21-M25 WeakPolarHBondContact O-CG 3.43Å; L21-M25 PolarHBondContact O-N 3.35Å; L21-L88 HydrophobicContact CD2-CD2 4.43Å; L21-F92 HydrophobicContact CD1-CE1 4.24Å; L21-F92 HydrophobicContact CD1-CE2 3.91Å; L21-F92 HydrophobicContact CD1-CZ 3.57Å; L21-F92 HydrophobicContact CD2-CD2 3.58Å; L21-F92 HydrophobicContact CD2-CE2 3.32Å; L21-F92 HydrophobicContact CD2-CG 4.32Å; L21-F92 HydrophobicContact CD2-CZ 3.85Å; L21-F92 HydrophobicContact CG-CD2 4.31Å; L21-F92 HydrophobicContact CG-CE2 3.54Å; L21-F92 HydrophobicContact CG-CZ 3.76Å
22D82.2Confident75.7Confident112 Ų11294.7 Ų94.760%0.59950%0.497SS*.Hα-helixtrans-69.9-33.9176.5-68.9-31000111.8N20 M25 K26N20-D22 PolarHBondContact O-N 3.45Å; N20-D22 PolarHBondContact OD1-N 3.45Å; N20-D22 VanDerWaalsContact OD1-N 3.15Å; D22-M25 PolarHBondContact O-N 3.46Å; D22-K26 PolarHBondContact O-N 3.45Å
23D83.8Confident78Confident103 Ų10387 Ų8755%0.55146%0.455SS*.Hα-helixtrans-70.9-39.6173.4-71.1-37.2000111.1N20 L21 M25 K26N20-D23 HydrophobicContact CB-CB 4.11Å; N20-D23 WeakPolarHBondContact CB-OD2 3.35Å; N20-D23 PolarHBondContact ND2-OD2 2.91Å; N20-D23 PolarHBondContact O-N 3.45Å; N20-D23 VanDerWaalsContact O-N 3.1Å; L21-D23 VanDerWaalsContact C-N 3.34Å; D23-M25 VanDerWaalsContact C-N 3.27Å; D23-M25 PolarHBondContact O-N 2.98Å; D23-K26 VanDerWaalsContact O-CB 3.23Å; D23-K26 WeakPolarHBondContact O-CB 3.42Å; D23-K26 PolarHBondContact O-N 2.94Å
24L84.6Confident79.8Confident30 Ų3082 Ų8216%0.15743%0.43CS..Hα-helixtrans-62.6-35.4175.4-172.164.5000112N20 L21 K26 L77 L123N20-L24 PolarHBondContact O-N 3.29Å; L21-L24 HydrophobicContact CD1-CD2 4.13Å; L21-L24 PolarHBondContact O-N 2.93Å; L24-K26 VanDerWaalsContact C-N 3.29Å; L24-K26 PolarHBondContact O-N 3.09Å; L24-L77 HydrophobicContact CD2-CD2 4.49Å; L24-L77 HydrophobicContact CG-CD2 4.21Å; L24-L123 HydrophobicContact CD2-CD2 3.85Å
25M88.7Confident81.6Confident30 Ų3076.4 Ų76.415%0.14842%0.419CS..THydrogen-bonded Turntrans-84.3-1.2179.8-67.9-60.7-69.900113.7L21 D22 D23 G27 Y28 L77 F92 K95 L96L21-M25 WeakPolarHBondContact O-CB 3.43Å; L21-M25 WeakPolarHBondContact O-CG 3.43Å; L21-M25 PolarHBondContact O-N 3.35Å; D22-M25 PolarHBondContact O-N 3.46Å; D23-M25 VanDerWaalsContact C-N 3.27Å; D23-M25 PolarHBondContact O-N 2.98Å; M25-G27 PolarHBondContact O-N 3.4Å; M25-G27 VanDerWaalsContact O-N 3.12Å; M25-Y28 HydrophobicContact CE-CD1 3.37Å; M25-Y28 HydrophobicContact CE-CE1 4.01Å; M25-Y28 HydrophobicContact CE-CG 3.77Å; M25-Y28 VanDerWaalsContact O-CB 3.28Å; M25-Y28 WeakPolarHBondContact O-CB 3.48Å; M25-Y28 PolarHBondContact O-N 3.48Å; M25-Y28 HydrophobicContact SD-CD1 4.3Å; M25-Y28 HydrophobicContact SD-CG 4.16Å; M25-L77 HydrophobicContact SD-CD2 3.53Å; M25-L77 VanDerWaalsContact SD-CD2 3.53Å; M25-F92 HydrophobicContact CE-CZ 4.22Å; M25-F92 HydrophobicContact CG-CE2 4.01Å; M25-F92 HydrophobicContact CG-CZ 3.77Å; M25-F92 HydrophobicContact SD-CE1 4.43Å; M25-F92 HydrophobicContact SD-CE2 4.29Å; M25-F92 HydrophobicContact SD-CZ 3.57Å; M25-F92 VanDerWaalsContact SD-CZ 3.57Å; M25-K95 HydrophobicContact CE-CB 3.87Å; M25-K95 WeakPolarHBondContact CE-O 3.49Å; M25-L96 HydrophobicContact CE-CD2 4.42Å; M25-L96 HydrophobicContact SD-CD2 4.41Å
26K88.6Confident83.1Confident174 Ų17477.4 Ų77.476%0.75742%0.424SS*.THydrogen-bonded Turntrans-66.8114.1-176.3-169.4175.6-177.8175.70111D22 D23 L24 Y28D22-K26 PolarHBondContact O-N 3.45Å; D23-K26 VanDerWaalsContact O-CB 3.23Å; D23-K26 WeakPolarHBondContact O-CB 3.42Å; D23-K26 PolarHBondContact O-N 2.94Å; L24-K26 VanDerWaalsContact C-N 3.29Å; L24-K26 PolarHBondContact O-N 3.09Å; K26-Y28 VanDerWaalsContact C-N 3.29Å
27G85.2Confident84.5Confident81 Ų8176 Ų7684%0.83543%0.427SS*.THydrogen-bonded Turntrans81.55.9-176.800000114.2M25 A29M25-G27 PolarHBondContact O-N 3.4Å; M25-G27 VanDerWaalsContact O-N 3.12Å; G27-A29 PolarHBondContact O-N 3.31Å
28Y91.8Very high86Confident31 Ų3172.2 Ų72.212%0.12242%0.424CS..  trans-68.8123.4174.5-174.3-96.2000111.2M25 K26 R30 D74 R76 L77 K95 L96 W97M25-Y28 HydrophobicContact CE-CD1 3.37Å; M25-Y28 HydrophobicContact CE-CE1 4.01Å; M25-Y28 HydrophobicContact CE-CG 3.77Å; M25-Y28 VanDerWaalsContact O-CB 3.28Å; M25-Y28 WeakPolarHBondContact O-CB 3.48Å; M25-Y28 PolarHBondContact O-N 3.48Å; M25-Y28 HydrophobicContact SD-CD1 4.3Å; M25-Y28 HydrophobicContact SD-CG 4.16Å; K26-Y28 VanDerWaalsContact C-N 3.29Å; Y28-R30 HydrophobicContact CD1-CB 4.19Å; Y28-R30 HydrophobicContact CE1-CB 3.73Å; Y28-D74 VanDerWaalsContact CE2-OD2 3.23Å; Y28-D74 WeakPolarHBondContact CE2-OD2 3.19Å; Y28-D74 PolarHBondContact OH-OD2 2.86Å; Y28-R76 HydrophobicContact CD2-CB 4.03Å; Y28-R76 HydrophobicContact CE2-CB 4.19Å; Y28-R76 VanDerWaalsContact CE2-CZ 3.49Å; Y28-R76 PolarHBondContact OH-NH2 2.96Å; Y28-L77 HydrophobicContact CD2-CD2 3.77Å; Y28-L77 HydrophobicContact CD2-CG 4.1Å; Y28-L77 HydrophobicContact CE2-CD1 3.8Å; Y28-L77 HydrophobicContact CE2-CD2 3.9Å; Y28-L77 HydrophobicContact CE2-CG 3.76Å; Y28-L77 HydrophobicContact CG-CD2 4.44Å; Y28-K95 WeakPolarHBondContact CE1-O 3.49Å; Y28-L96 HydrophobicContact CE1-CD2 4.42Å; Y28-W97 WeakPolarHBondContact OH-CB 3.47Å; Y28-W97 PolarHBondContact OH-N 3.44Å; Y28-W97 VanDerWaalsContact OH-N 3.07Å
29A90.3Very high87.4Confident41 Ų4173 Ų7334%0.33943%0.434SS..  trans-106.696.9177.200000110.5G27 N31 F32 R76G27-A29 PolarHBondContact O-N 3.31Å; A29-N31 PolarHBondContact O-N 2.94Å; A29-F32 HydrophobicContact CB-CD2 4.02Å; A29-F32 PolarHBondContact O-N 3.35Å; A29-R76 PolarHBondContact O-NH1 2.91Å
30R90.9Very high88.7Confident132 Ų13274.4 Ų74.450%0.49844%0.444SS..THydrogen-bonded Turntrans-65.8-19.2-177.977.2176.8-173.9-175.40.1114.8Y28 F32 D94 K95 W97Y28-R30 HydrophobicContact CD1-CB 4.19Å; Y28-R30 HydrophobicContact CE1-CB 3.73Å; R30-F32 VanDerWaalsContact C-N 3.26Å; R30-F32 PolarHBondContact O-N 3.3Å; R30-D94 WeakPolarHBondContact CD-O 3.46Å; R30-D94 PolarHBondContact NH1-O 2.93Å; R30-K95 WeakPolarHBondContact CB-O 3.31Å; R30-W97 VanDerWaalsContact O-CB 3.31Å; R30-W97 WeakPolarHBondContact O-CB 3.28Å
31N90.6Very high89.5Confident124 Ų12471 Ų7166%0.66343%0.425SS*.THydrogen-bonded Turntrans-80-10.1-174.5-62.7-12000112.9A29A29-N31 PolarHBondContact O-N 2.94Å
32F91.8Very high90.2Very high112 Ų11273.4 Ų73.449%0.49144%0.439SS..SBendtrans-116.9139.1-179.2-59.9-70.3000109.9A29 R30 I36 R76A29-F32 HydrophobicContact CB-CD2 4.02Å; A29-F32 PolarHBondContact O-N 3.35Å; R30-F32 VanDerWaalsContact C-N 3.26Å; R30-F32 PolarHBondContact O-N 3.3Å; F32-I36 HydrophobicContact CB-CD1 4.22Å; F32-I36 HydrophobicContact CD1-CD1 3.59Å; F32-I36 HydrophobicContact CE1-CD1 4.32Å; F32-I36 HydrophobicContact CG-CD1 4.19Å; F32-R76 PolarHBondContact O-NH2 3.5Å
33R93.4Very high90.9Very high12 Ų1268 Ų685%0.04541%0.41CS..  trans-58.8148.5173.973.9173.1179.1100-10.6111.1G35 I36 G38 P39 W97 Y164 E167 D168R33-G35 PolarHBondContact O-N 3.44Å; R33-I36 PolarHBondContact O-N 3.32Å; R33-G38 PolarHBondContact NH2-O 2.91Å; R33-P39 PolarHBondContact NH1-O 3.4Å; R33-W97 HydrophobicContact CB-CH2 4.25Å; R33-W97 HydrophobicContact CB-CZ2 3.52Å; R33-Y164 HydrophobicContact CB-CE1 4.4Å; R33-E167 PolarHBondContact NH2-O 2.91Å; R33-D168 IonicContact CZ-OD1 2.8Å; R33-D168 VanDerWaalsContact CZ-OD1 3.27Å; R33-D168 IonicContact NE-OD1 2.77Å; R33-D168 PolarHBondContact NE-OD1 2.93Å; R33-D168 PolarHBondContact NH1-O 3.5Å; R33-D168 IonicContact NH2-OD1 2.95Å; R33-D168 PolarHBondContact NH2-OD1 2.96Å
34P93.1Very high91.4Very high8 Ų863.9 Ų63.95%0.05239%0.39CS..THydrogen-bonded Turntrans-52.2137169.9-22.931.1000110.8I36 V41 D74 W97P34-I36 PolarHBondContact O-N 2.67Å; P34-V41 HydrophobicContact CB-CG2 4.25Å; P34-V41 VanDerWaalsContact O-CG2 3.27Å; P34-V41 WeakPolarHBondContact O-CG2 3.36Å; P34-D74 HydrophobicContact CB-CB 4.27Å; P34-D74 HydrophobicContact CG-CB 3.9Å; P34-W97 HydrophobicContact CG-CD2 4.47Å; P34-W97 HydrophobicContact CG-CE3 3.92Å; P34-W97 HydrophobicContact CG-CZ3 4.12Å
35G88.9Confident91.9Very high55 Ų5562.5 Ų62.557%0.56738%0.383SS*.THydrogen-bonded Turntrans65.231.9176.400000115.2R33 G37 G38R33-G35 PolarHBondContact O-N 3.44Å; G35-G37 PolarHBondContact O-N 3.45Å; G35-G38 WeakPolarHBondContact O-CA 3.32Å; G35-G38 PolarHBondContact O-N 3.39Å
36I90.1Very high92.1Very high112 Ų11261.6 Ų61.657%0.57438%0.38SS*.THydrogen-bonded Turntrans-47.5132.4177.6-170.8167.9000112.6F32 R33 P34 G38F32-I36 HydrophobicContact CB-CD1 4.22Å; F32-I36 HydrophobicContact CD1-CD1 3.59Å; F32-I36 HydrophobicContact CE1-CD1 4.32Å; F32-I36 HydrophobicContact CG-CD1 4.19Å; R33-I36 PolarHBondContact O-N 3.32Å; P34-I36 PolarHBondContact O-N 2.67Å; I36-G38 PolarHBondContact O-N 2.97Å
37G87.8Confident92.2Very high80 Ų8053.5 Ų53.583%0.82535%0.345SS*.THydrogen-bonded Turntrans79.5-2.5-17500000114.8G35G35-G37 PolarHBondContact O-N 3.45Å
38G92.3Very high92.5Very high36 Ų3653.2 Ų53.237%0.37132%0.322SS..SBendtrans-102.6-161.4172.500000113R33 G35 I36R33-G38 PolarHBondContact NH2-O 2.91Å; G35-G38 WeakPolarHBondContact O-CA 3.32Å; G35-G38 PolarHBondContact O-N 3.39Å; I36-G38 PolarHBondContact O-N 2.97Å
39P94.8Very high92.5Very high109 Ų10951.8 Ų51.871%0.70832%0.317SS*.SBendtrans-60.6160.3178.627.3-34.8000112.1R33R33-P39 PolarHBondContact NH1-O 3.4Å
40P94.8Very high92.6Very high45 Ų4551.7 Ų51.729%0.29232%0.316SS..PPolyproline II helixtrans-61148.9175.725-33.6000111.3N42 D168 V170P40-N42 PolarHBondContact O-N 3.48Å; P40-D168 CarbonylContact C-O 3.6Å; P40-D168 VanDerWaalsContact CA-O 3.3Å; P40-D168 WeakPolarHBondContact CA-O 3.34Å; P40-V170 HydrophobicContact CB-CG2 3.88Å; P40-V170 HydrophobicContact CG-CG2 3.8Å
41V95.6Very high92.6Very high13 Ų1346.7 Ų46.78%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-77.3123.6174.6-177.40000108.5P34 V43 W72 D168 I169 V170P34-V41 HydrophobicContact CB-CG2 4.25Å; P34-V41 VanDerWaalsContact O-CG2 3.27Å; P34-V41 WeakPolarHBondContact O-CG2 3.36Å; V41-V43 HydrophobicContact CG1-CG2 4.08Å; V41-W72 HydrophobicContact CG1-CB 4.15Å; V41-D168 PolarHBondContact N-O 3.43Å; V41-I169 WeakPolarHBondContact O-CA 3.37Å; V41-V170 PolarHBondContact O-N 3.48Å
42N95.2Very high92.7Very high101 Ų10141.4 Ų41.454%0.5427%0.273SS..EExtended strand (participates in β ladder)trans-78.2124.2171.6-66.4-25.3000109.2P40P40-N42 PolarHBondContact O-N 3.48Å
43V96.1Very high92.3Very high0 Ų040.8 Ų40.80%028%0.275CS..EExtended strand (participates in β ladder)trans-121.9112.4177.8-176.70000108.6V41 L45 Q70 S71 W72 P99 I169 V170 Y171 H172V41-V43 HydrophobicContact CG1-CG2 4.08Å; V43-L45 HydrophobicContact CG1-CD2 3.95Å; V43-Q70 HydrophobicContact CG1-CB 4.43Å; V43-S71 CarbonylContact C-O 3.54Å; V43-S71 WeakPolarHBondContact CA-O 3.45Å; V43-W72 HydrophobicContact CG2-CB 4.01Å; V43-P99 HydrophobicContact CG1-CB 4.38Å; V43-P99 HydrophobicContact CG1-CG 4.16Å; V43-P99 HydrophobicContact CG2-CB 4.29Å; V43-I169 HydrophobicContact CB-CG2 4.33Å; V43-I169 HydrophobicContact CG2-CG2 3.78Å; V43-V170 PolarHBondContact N-O 3.47Å; V43-Y171 HydrophobicContact CB-CD1 3.63Å; V43-Y171 HydrophobicContact CB-CE1 3.63Å; V43-Y171 HydrophobicContact CG1-CD1 3.92Å; V43-Y171 HydrophobicContact CG1-CE1 3.69Å; V43-Y171 HydrophobicContact CG2-CD1 4.47Å; V43-Y171 HydrophobicContact CG2-CE1 4.12Å; V43-Y171 WeakPolarHBondContact O-CA 3.37Å; V43-H172 PolarHBondContact O-N 3.33Å
44A95.1Very high92.1Very high16 Ų1645.1 Ų45.113%0.13230%0.295CS..EExtended strand (participates in β ladder)trans-84.5123.7176.700000109.6Q70 S71 H172A44-Q70 CarbonylContact O-C 3.51Å; A44-Q70 WeakPolarHBondContact O-CA 3.49Å; A44-S71 PolarHBondContact N-O 2.85Å; A44-S71 PolarHBondContact O-N 2.99Å; A44-H172 CarbonylContact C-O 3.46Å; A44-H172 WeakPolarHBondContact CA-O 3.16Å; A44-H172 WeakPolarHBondContact CB-CE1 3.37Å
45L94.2Very high92.1Very high0 Ų045.8 Ų45.80%030%0.298CS..EExtended strand (participates in β ladder)trans-104.5141.3176.6-60.2-167.4000111.5V43 H69 Q70 T101 L159 Y171 H172 W173 S174 L214V43-L45 HydrophobicContact CG1-CD2 3.95Å; L45-H69 WeakPolarHBondContact CA-O 3.16Å; L45-Q70 HydrophobicContact CD2-CB 3.88Å; L45-Q70 HydrophobicContact CD2-CG 3.63Å; L45-T101 HydrophobicContact CD1-CG2 3.97Å; L45-L159 HydrophobicContact CD1-CB 4.26Å; L45-L159 HydrophobicContact CD1-CD1 3.86Å; L45-Y171 HydrophobicContact CD1-CD1 4.13Å; L45-Y171 HydrophobicContact CD1-CG 4.45Å; L45-Y171 HydrophobicContact CD2-CD1 4.42Å; L45-Y171 HydrophobicContact CG-CD1 4.14Å; L45-H172 PolarHBondContact N-O 3.03Å; L45-W173 HydrophobicContact CB-CE3 4.48Å; L45-S174 PolarHBondContact O-N 3.18Å; L45-L214 HydrophobicContact CB-CD1 3.91Å; L45-L214 HydrophobicContact CD1-CD1 3.36Å; L45-L214 HydrophobicContact CG-CD1 3.73Å
46A92.8Very high92.2Very high12 Ų1243.8 Ų43.810%0.09928%0.275CS..EExtended strand (participates in β ladder)trans-137.2143.6169.600000109.5H69 Q177A46-H69 HydrophobicContact CB-CB 3.91Å; A46-H69 PolarHBondContact N-O 3.26Å; A46-H69 PolarHBondContact O-N 2.89Å; A46-Q177 VanDerWaalsContact CA-OE1 3.27Å
47I91.9Very high92.2Very high3 Ų339.5 Ų39.52%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-125.8125.1-178.3-62.7174000108.5V49 V66 F67 L68 L157 L159 W173 Q177 L216I47-V49 HydrophobicContact CG2-CG2 4.23Å; I47-V66 HydrophobicContact CG2-CB 4.09Å; I47-V66 HydrophobicContact CG2-CG1 4.04Å; I47-F67 WeakPolarHBondContact CA-O 3.23Å; I47-L68 HydrophobicContact CG1-CD1 4.13Å; I47-L157 HydrophobicContact CD1-CD2 3.88Å; I47-L159 HydrophobicContact CD1-CD1 3.61Å; I47-L159 HydrophobicContact CG1-CD1 4.2Å; I47-W173 HydrophobicContact CD1-CH2 3.57Å; I47-W173 HydrophobicContact CD1-CZ3 3.66Å; I47-W173 HydrophobicContact CG1-CH2 4.35Å; I47-W173 HydrophobicContact CG1-CZ3 3.92Å; I47-Q177 PolarHBondContact O-NE2 3.36Å; I47-L216 HydrophobicContact CG2-CD2 4.42Å
48E91.1Very high92.2Very high75 Ų7539.2 Ų39.235%0.3524%0.235SC..EExtended strand (participates in β ladder)trans-107.7125.8166.5-169.2-174.3168.900108.6V66 F67 H181E48-V66 CarbonylContact O-C 3.59Å; E48-V66 VanDerWaalsContact O-CA 3.26Å; E48-V66 WeakPolarHBondContact O-CA 3.48Å; E48-F67 HydrophobicContact CB-CB 4.16Å; E48-F67 HydrophobicContact CB-CD2 4.28Å; E48-F67 HydrophobicContact CG-CD2 4.44Å; E48-F67 PolarHBondContact N-O 3.37Å; E48-F67 PolarHBondContact O-N 3.4Å; E48-H181 HydrophobicContact CG-CB 4.15Å; E48-H181 WeakPolarHBondContact CG-O 3.41Å
49V92.1Very high92.1Very high2 Ų241.6 Ų41.61%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-91.6111.6-179-172.80000109I47 I52 V66 I180 H181 G182 L183 L186 L216I47-V49 HydrophobicContact CG2-CG2 4.23Å; V49-I52 HydrophobicContact CG1-CG1 4.25Å; V49-V66 HydrophobicContact CG2-CG1 4.34Å; V49-I180 HydrophobicContact CB-CG2 4.39Å; V49-I180 HydrophobicContact CG2-CG2 3.84Å; V49-H181 PolarHBondContact N-O 3.22Å; V49-G182 WeakPolarHBondContact O-CA 3.47Å; V49-L183 HydrophobicContact CB-CD1 4.37Å; V49-L183 HydrophobicContact CG1-CD1 4.23Å; V49-L183 HydrophobicContact CG2-CD1 4.33Å; V49-L186 HydrophobicContact CB-CD1 4.29Å; V49-L186 HydrophobicContact CG1-CD1 3.62Å; V49-L216 HydrophobicContact CG2-CD2 4.34Å
50A91.2Very high92Very high38 Ų3838.5 Ų38.531%0.31422%0.216SC..EExtended strand (participates in β ladder)trans-80.4-41.7179.700000112T65 F67A50-T65 WeakPolarHBondContact CA-O 3.49Å; A50-T65 HydrophobicContact CB-CG2 4.05Å; A50-T65 WeakPolarHBondContact CB-O 3.33Å; A50-T65 PolarHBondContact N-O 2.89Å; A50-F67 HydrophobicContact CB-CD2 4.21Å; A50-F67 HydrophobicContact CB-CE2 3.76Å
51S91.4Very high92Very high27 Ų2737.8 Ų37.819%0.18921%0.209CC..EExtended strand (participates in β ladder)trans-162.6157.9176.964.50000112.3D53 M64 T65S51-D53 WeakPolarHBondContact CB-OD1 3.44Å; S51-D53 VanDerWaalsContact OG-CG 3.24Å; S51-D53 PolarHBondContact OG-OD1 3.33Å; S51-D53 PolarHBondContact OG-OD2 2.88Å; S51-M64 CarbonylContact O-C 3.59Å; S51-M64 WeakPolarHBondContact O-CA 3.33Å; S51-T65 PolarHBondContact N-O 3.43Å; S51-T65 PolarHBondContact O-N 2.92Å; S51-T65 WeakPolarHBondContact OG-CB 3.39Å
52I92.3Very high92Very high13 Ų1337.2 Ų37.27%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-119.6108.8162.3-60.9168.7000105.4V49 I55 M64 L183 L186 L188 I193 F218V49-I52 HydrophobicContact CG1-CG1 4.25Å; I52-I55 HydrophobicContact CG2-CD1 4.2Å; I52-I55 HydrophobicContact CG2-CG1 4.11Å; I52-M64 HydrophobicContact CG1-CB 4.07Å; I52-L183 HydrophobicContact CD1-CD1 4.08Å; I52-L186 HydrophobicContact CG1-CD1 4.4Å; I52-L188 HydrophobicContact CB-CD2 3.67Å; I52-L188 HydrophobicContact CG2-CD2 4.04Å; I52-L188 VanDerWaalsContact O-CD2 3.25Å; I52-L188 WeakPolarHBondContact O-CD2 3.01Å; I52-I193 HydrophobicContact CD1-CD1 4.28Å; I52-F218 HydrophobicContact CD1-CE2 4.21Å
53D85.3Confident92Very high100 Ų10033.1 Ų33.154%0.53518%0.184SC..EExtended strand (participates in β ladder)trans-93.6-42.7-163-59.1-47.6000112S51 T63 T65S51-D53 WeakPolarHBondContact CB-OD1 3.44Å; S51-D53 VanDerWaalsContact OG-CG 3.24Å; S51-D53 PolarHBondContact OG-OD1 3.33Å; S51-D53 PolarHBondContact OG-OD2 2.88Å; D53-T63 PolarHBondContact N-O 3.33Å; D53-T65 PolarHBondContact OD2-OG1 3.41Å
54H87.9Confident91.9Very high103 Ų10333.2 Ų33.248%0.47718%0.184SC..EExtended strand (participates in β ladder)trans-139130.7-172.8-173.1-98.1000110.5Y62 T63H54-Y62 CarbonylContact O-C 3.58Å; H54-Y62 WeakPolarHBondContact O-CA 3.4Å; H54-T63 PolarHBondContact O-N 2.93Å
55I92.6Very high91.9Very high21 Ų2132.7 Ų32.711%0.10818%0.179CC..EExtended strand (participates in β ladder)trans-121.8120.8172.5-62165.4000106.1I52 M143 F191 L220I52-I55 HydrophobicContact CG2-CD1 4.2Å; I52-I55 HydrophobicContact CG2-CG1 4.11Å; I55-M143 HydrophobicContact CG2-CE 3.85Å; I55-M143 HydrophobicContact CG2-SD 4.22Å; I55-F191 HydrophobicContact CB-CE2 4.09Å; I55-F191 HydrophobicContact CD1-CB 4.48Å; I55-F191 HydrophobicContact CD1-CD2 3.45Å; I55-F191 VanDerWaalsContact CD1-CD2 3.45Å; I55-F191 HydrophobicContact CD1-CE2 3.82Å; I55-F191 HydrophobicContact CD1-CG 4.07Å; I55-F191 HydrophobicContact CG2-CE2 3.89Å; I55-F191 HydrophobicContact CG2-CZ 4.12Å; I55-L220 HydrophobicContact CD1-CD1 3.99Å
56S91.9Very high91.9Very high14 Ų1432.9 Ų32.910%0.09818%0.181CC..EExtended strand (participates in β ladder)trans-113.4107179.5-173.60000110.2V58 N59 M60 E61 M143S56-V58 PolarHBondContact O-N 3.32Å; S56-N59 PolarHBondContact OG-N 2.89Å; S56-M60 WeakPolarHBondContact O-CA 3.39Å; S56-M60 PolarHBondContact O-N 3.49Å; S56-E61 PolarHBondContact N-O 2.99Å; S56-E61 PolarHBondContact O-N 3.47Å; S56-E61 VanDerWaalsContact O-N 3.14Å; S56-M143 WeakPolarHBondContact O-CE 3.43Å
57E89.7Confident91.9Very high21 Ų2135.1 Ų35.110%0.09819%0.188CC..THydrogen-bonded Turntrans-69.5-25.3171-5692.1158.700111.6M60 M143 L145 R222 P279E57-M60 VanDerWaalsContact O-SD 3.4Å; E57-M143 HydrophobicContact CG-SD 4.1Å; E57-L145 HydrophobicContact CB-CD1 4.05Å; E57-L145 HydrophobicContact CB-CD2 4.3Å; E57-L145 HydrophobicContact CG-CD2 4.14Å; E57-R222 IonicContact OE1-CZ 3.48Å; E57-R222 VanDerWaalsContact OE1-CZ 3.25Å; E57-R222 IonicContact OE1-NH1 3.8Å; E57-R222 PolarHBondContact OE1-NH1 3.45Å; E57-R222 IonicContact OE1-NH2 2.86Å; E57-R222 PolarHBondContact OE1-NH2 3.06Å; E57-P279 WeakPolarHBondContact O-CD 3.45Å; E57-P279 VanDerWaalsContact O-CG 3.23Å; E57-P279 WeakPolarHBondContact O-CG 3.36Å
58V88Confident92.1Very high75 Ų7535.4 Ų35.446%0.45519%0.19SC..THydrogen-bonded Turntrans-70.5-42.8179.8-179.10000110.8S56S56-V58 PolarHBondContact O-N 3.32Å
59N90.6Very high92.2Very high85 Ų8534.1 Ų34.146%0.45518%0.184SC..THydrogen-bonded Turntrans-94.7-3.2-177.6-63.5-16.7000113.3S56 E61 K107S56-N59 PolarHBondContact OG-N 2.89Å; N59-E61 HydrophobicContact CB-CG 3.75Å; N59-E61 VanDerWaalsContact CB-OE1 3.3Å; N59-E61 WeakPolarHBondContact CB-OE1 3.49Å; N59-E61 PolarHBondContact ND2-OE1 2.91Å; N59-K107 PolarHBondContact O-NZ 3.32Å
60M92.4Very high92.4Very high45 Ų4534.4 Ų34.422%0.22219%0.185CC..THydrogen-bonded Turntrans52.754.2-173.4-59.2-55.7-169.800111.4S56 E57 C141 M143 L145 P279S56-M60 WeakPolarHBondContact O-CA 3.39Å; S56-M60 PolarHBondContact O-N 3.49Å; E57-M60 VanDerWaalsContact O-SD 3.4Å; M60-C141 CarbonylContact C-O 3.55Å; M60-C141 WeakPolarHBondContact CA-O 3.39Å; M60-C141 WeakPolarHBondContact CB-O 3.33Å; M60-C141 PolarHBondContact O-N 3.32Å; M60-M143 HydrophobicContact SD-CB 3.89Å; M60-M143 HydrophobicContact SD-CG 4.43Å; M60-L145 HydrophobicContact CE-CD1 4.08Å; M60-P279 HydrophobicContact CE-CG 4.24Å
61E95Very high92.6Very high30 Ų3034.3 Ų34.314%0.1418%0.182CC..EExtended strand (participates in β ladder)trans-149.6159.2-178.670.4-160.1-17600112.3S56 N59 K107 T138 V139S56-E61 PolarHBondContact N-O 2.99Å; S56-E61 PolarHBondContact O-N 3.47Å; S56-E61 VanDerWaalsContact O-N 3.14Å; N59-E61 HydrophobicContact CB-CG 3.75Å; N59-E61 VanDerWaalsContact CB-OE1 3.3Å; N59-E61 WeakPolarHBondContact CB-OE1 3.49Å; N59-E61 PolarHBondContact ND2-OE1 2.91Å; E61-K107 HydrophobicContact CB-CD 4.29Å; E61-K107 WeakPolarHBondContact OE2-CD 3.48Å; E61-K107 IonicContact OE2-NZ 3.93Å; E61-K107 PolarHBondContact OE2-NZ 3.02Å; E61-T138 HydrophobicContact CB-CG2 4Å; E61-T138 HydrophobicContact CG-CG2 3.84Å; E61-V139 CarbonylContact C-O 3.57Å; E61-V139 WeakPolarHBondContact CA-O 3.47Å; E61-V139 WeakPolarHBondContact CB-O 3.37Å
62Y95.2Very high92.8Very high0 Ų033.2 Ų33.20%017%0.173CC..EExtended strand (participates in β ladder)trans-133.1152.9167.967.9-91.5000110H54 M64 T138 V139 C141 C155 M156 F218H54-Y62 CarbonylContact O-C 3.58Å; H54-Y62 WeakPolarHBondContact O-CA 3.4Å; Y62-M64 HydrophobicContact CD2-CB 4.18Å; Y62-M64 HydrophobicContact CD2-CE 4.06Å; Y62-M64 HydrophobicContact CD2-CG 4.29Å; Y62-M64 HydrophobicContact CE2-CB 4.09Å; Y62-M64 HydrophobicContact CE2-CE 3.14Å; Y62-M64 HydrophobicContact CE2-CG 3.74Å; Y62-M64 HydrophobicContact CE2-SD 4.03Å; Y62-T138 CarbonylContact O-C 3.51Å; Y62-T138 WeakPolarHBondContact O-CA 3.31Å; Y62-V139 HydrophobicContact CD1-CB 4.5Å; Y62-V139 HydrophobicContact CD2-CB 4.45Å; Y62-V139 HydrophobicContact CE1-CB 3.89Å; Y62-V139 HydrophobicContact CE1-CG1 3.93Å; Y62-V139 HydrophobicContact CE2-CB 3.79Å; Y62-V139 HydrophobicContact CE2-CG1 4.42Å; Y62-V139 HydrophobicContact CE2-CG2 4.1Å; Y62-V139 PolarHBondContact N-O 3.07Å; Y62-V139 PolarHBondContact O-N 2.91Å; Y62-V139 WeakPolarHBondContact OH-CG1 3.5Å; Y62-C141 HydrophobicContact CD1-CB 3.59Å; Y62-C141 HydrophobicContact CE1-CB 3.81Å; Y62-C155 HydrophobicContact CD1-CB 4Å; Y62-C155 HydrophobicContact CE1-CB 3.68Å; Y62-M156 PolarHBondContact OH-O 3.26Å; Y62-F218 HydrophobicContact CD1-CZ 4.37Å; Y62-F218 HydrophobicContact CD2-CZ 4.29Å; Y62-F218 HydrophobicContact CE1-CE1 4.5Å; Y62-F218 AromaticContact CE1-CZ 3.94Å; Y62-F218 HydrophobicContact CE1-CZ 3.94Å; Y62-F218 HydrophobicContact CE2-CE1 4.41Å; Y62-F218 AromaticContact CE2-CZ 3.88Å; Y62-F218 HydrophobicContact CE2-CZ 3.88Å; Y62-F218 AromaticContact CZ-CE1 3.99Å; Y62-F218 AromaticContact CZ-CZ 3.65Å
63T95.9Very high92.9Very high16 Ų1638.1 Ų38.110%0.09819%0.191CC..EExtended strand (participates in β ladder)trans-110124.3174.5-540000108.6D53 H54 W110 T136 S137 T138D53-T63 PolarHBondContact N-O 3.33Å; H54-T63 PolarHBondContact O-N 2.93Å; T63-W110 HydrophobicContact CG2-CH2 4.1Å; T63-T136 HydrophobicContact CG2-CG2 3.65Å; T63-S137 WeakPolarHBondContact CA-O 3.31Å; T63-T138 PolarHBondContact OG1-OG1 3.19Å
64M94.4Very high93.4Very high2 Ų233.4 Ų33.41%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-128.5149175.969.1161.86000111.5S51 I52 Y62 V66 T136 S137 L157 F218S51-M64 CarbonylContact O-C 3.59Å; S51-M64 WeakPolarHBondContact O-CA 3.33Å; I52-M64 HydrophobicContact CG1-CB 4.07Å; Y62-M64 HydrophobicContact CD2-CB 4.18Å; Y62-M64 HydrophobicContact CD2-CE 4.06Å; Y62-M64 HydrophobicContact CD2-CG 4.29Å; Y62-M64 HydrophobicContact CE2-CB 4.09Å; Y62-M64 HydrophobicContact CE2-CE 3.14Å; Y62-M64 HydrophobicContact CE2-CG 3.74Å; Y62-M64 HydrophobicContact CE2-SD 4.03Å; M64-V66 HydrophobicContact CG-CG1 4.08Å; M64-V66 HydrophobicContact SD-CG1 3.43Å; M64-V66 WeakPolarHBondContact SD-CG1 3.45Å; M64-T136 WeakPolarHBondContact O-CA 3.41Å; M64-S137 PolarHBondContact N-O 3.13Å; M64-S137 PolarHBondContact O-N 2.97Å; M64-L157 HydrophobicContact CE-CB 4.39Å; M64-L157 HydrophobicContact SD-CB 4.47Å; M64-L157 HydrophobicContact SD-CD1 4.18Å; M64-L157 HydrophobicContact SD-CD2 3.81Å; M64-L157 HydrophobicContact SD-CG 4.39Å; M64-F218 HydrophobicContact CE-CD1 4.48Å; M64-F218 HydrophobicContact CE-CE1 3.5Å; M64-F218 HydrophobicContact CE-CZ 3.68Å
65T94.1Very high93.6Very high4 Ų433.7 Ų33.73%0.02517%0.171CC..EExtended strand (participates in β ladder)trans-108.6125170.9-58.40000108.9A50 S51 D53 R134 I135 T136A50-T65 WeakPolarHBondContact CA-O 3.49Å; A50-T65 HydrophobicContact CB-CG2 4.05Å; A50-T65 WeakPolarHBondContact CB-O 3.33Å; A50-T65 PolarHBondContact N-O 2.89Å; S51-T65 PolarHBondContact N-O 3.43Å; S51-T65 PolarHBondContact O-N 2.92Å; S51-T65 WeakPolarHBondContact OG-CB 3.39Å; D53-T65 PolarHBondContact OD2-OG1 3.41Å; T65-R134 HydrophobicContact CG2-CG 4.11Å; T65-I135 CarbonylContact C-O 3.54Å; T65-I135 WeakPolarHBondContact CA-O 3.46Å; T65-T136 WeakPolarHBondContact CG2-OG1 3.33Å; T65-T136 WeakPolarHBondContact OG1-CG2 3.46Å; T65-T136 PolarHBondContact OG1-OG1 3.45Å
66V94Very high93.6Very high5 Ų536.8 Ų36.83%0.0318%0.181CC..EExtended strand (participates in β ladder)trans-130.1152.1-177.7-610000111.2I47 E48 V49 M64 R134 I135I47-V66 HydrophobicContact CG2-CB 4.09Å; I47-V66 HydrophobicContact CG2-CG1 4.04Å; E48-V66 CarbonylContact O-C 3.59Å; E48-V66 VanDerWaalsContact O-CA 3.26Å; E48-V66 WeakPolarHBondContact O-CA 3.48Å; V49-V66 HydrophobicContact CG2-CG1 4.34Å; M64-V66 HydrophobicContact CG-CG1 4.08Å; M64-V66 HydrophobicContact SD-CG1 3.43Å; M64-V66 WeakPolarHBondContact SD-CG1 3.45Å; V66-R134 WeakPolarHBondContact O-CA 3.4Å; V66-I135 HydrophobicContact CG2-CB 4.3Å; V66-I135 PolarHBondContact N-O 3.15Å; V66-I135 PolarHBondContact O-N 3.28Å
67F93.6Very high93.6Very high59 Ų5936.2 Ų36.226%0.25918%0.177SC..EExtended strand (participates in β ladder)trans-96.9117.8158.3-57.2-83.1000108.1I47 E48 A50 I133 R134I47-F67 WeakPolarHBondContact CA-O 3.23Å; E48-F67 HydrophobicContact CB-CB 4.16Å; E48-F67 HydrophobicContact CB-CD2 4.28Å; E48-F67 HydrophobicContact CG-CD2 4.44Å; E48-F67 PolarHBondContact N-O 3.37Å; E48-F67 PolarHBondContact O-N 3.4Å; A50-F67 HydrophobicContact CB-CD2 4.21Å; A50-F67 HydrophobicContact CB-CE2 3.76Å; F67-I133 CarbonylContact C-O 3.58Å; F67-I133 WeakPolarHBondContact CA-O 3.3Å; F67-R134 HydrophobicContact CD1-CB 3.7Å; F67-R134 HydrophobicContact CD1-CG 3.87Å; F67-R134 HydrophobicContact CE1-CB 3.65Å; F67-R134 HydrophobicContact CE1-CG 3.57Å; F67-R134 HydrophobicContact CZ-CG 4.16Å
68L94.6Very high93.7Very high8 Ų838.1 Ų38.14%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-95.5114.1174.4177.163.8000108.5I47 Q70 T101 S132 I133 I135 L159I47-L68 HydrophobicContact CG1-CD1 4.13Å; L68-Q70 HydrophobicContact CD2-CG 4.33Å; L68-Q70 HydrophobicContact CG-CG 3.99Å; L68-T101 HydrophobicContact CD2-CG2 4.22Å; L68-S132 WeakPolarHBondContact O-CA 3.33Å; L68-I133 HydrophobicContact CB-CG2 4.06Å; L68-I133 PolarHBondContact N-O 3.18Å; L68-I133 PolarHBondContact O-N 3.31Å; L68-I135 HydrophobicContact CB-CD1 4.21Å; L68-I135 HydrophobicContact CD2-CD1 4.1Å; L68-L159 HydrophobicContact CD1-CD1 3.76Å
69H94.3Very high93.7Very high48 Ų4835.2 Ų35.222%0.22217%0.174CC..EExtended strand (participates in β ladder)trans-98131.7172.9-56.4-57.6000109.6L45 A46 L130 Y131 S132L45-H69 WeakPolarHBondContact CA-O 3.16Å; A46-H69 HydrophobicContact CB-CB 3.91Å; A46-H69 PolarHBondContact N-O 3.26Å; A46-H69 PolarHBondContact O-N 2.89Å; H69-L130 HydrophobicContact CB-CD1 4.39Å; H69-Y131 CarbonylContact C-O 3.57Å; H69-Y131 WeakPolarHBondContact CA-O 3.42Å; H69-S132 PolarHBondContact CE1-OG 3.03Å; H69-S132 VanDerWaalsContact ND1-CB 3.26Å; H69-S132 WeakPolarHBondContact ND1-CB 3.07Å; H69-S132 PolarHBondContact ND1-OG 3.47Å
70Q95.3Very high93.4Very high9 Ų938.4 Ų38.44%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-130.4128.5178.5-43.4-167.659.700107.9V43 A44 L45 L68 W72 T101 Y131V43-Q70 HydrophobicContact CG1-CB 4.43Å; A44-Q70 CarbonylContact O-C 3.51Å; A44-Q70 WeakPolarHBondContact O-CA 3.49Å; L45-Q70 HydrophobicContact CD2-CB 3.88Å; L45-Q70 HydrophobicContact CD2-CG 3.63Å; L68-Q70 HydrophobicContact CD2-CG 4.33Å; L68-Q70 HydrophobicContact CG-CG 3.99Å; Q70-W72 HydrophobicContact CB-CE3 4.4Å; Q70-W72 HydrophobicContact CB-CZ3 4.21Å; Q70-T101 PolarHBondContact OE1-OG1 3.19Å; Q70-Y131 HydrophobicContact CG-CD1 4.44Å; Q70-Y131 PolarHBondContact N-O 3.45Å; Q70-Y131 PolarHBondContact O-N 2.88Å
71S95.6Very high92.8Very high35 Ų3543.1 Ų43.125%0.24521%0.212CC..EExtended strand (participates in β ladder)trans-125126178.2-172.30000110.2V43 A44 V128 I129V43-S71 CarbonylContact C-O 3.54Å; V43-S71 WeakPolarHBondContact CA-O 3.45Å; A44-S71 PolarHBondContact N-O 2.85Å; A44-S71 PolarHBondContact O-N 2.99Å; S71-V128 WeakPolarHBondContact OG-CG1 3.46Å; S71-I129 VanDerWaalsContact CA-O 3.28Å; S71-I129 WeakPolarHBondContact CA-O 3.35Å
72W95.9Very high92.1Very high4 Ų442.6 Ų42.62%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-144.5161.9175.77296.4000110.5V41 V43 Q70 W97 L98 P99 V128 I129 Y131V41-W72 HydrophobicContact CG1-CB 4.15Å; V43-W72 HydrophobicContact CG2-CB 4.01Å; Q70-W72 HydrophobicContact CB-CE3 4.4Å; Q70-W72 HydrophobicContact CB-CZ3 4.21Å; W72-W97 AromaticContact CD1-CZ3 3.92Å; W72-W97 HydrophobicContact CG-CZ3 4.36Å; W72-W97 WeakPolarHBondContact CZ2-O 3.3Å; W72-W97 AromaticContact NE1-CE3 3.8Å; W72-W97 AromaticContact NE1-CZ3 3.89Å; W72-L98 HydrophobicContact CH2-CD2 3.64Å; W72-L98 HydrophobicContact CZ2-CD2 4.03Å; W72-P99 HydrophobicContact CE3-CG 4.14Å; W72-P99 HydrophobicContact CZ3-CG 4.2Å; W72-V128 CarbonylContact O-C 3.45Å; W72-V128 WeakPolarHBondContact O-CA 3.46Å; W72-I129 HydrophobicContact CD2-CB 4.27Å; W72-I129 HydrophobicContact CH2-CB 4.26Å; W72-I129 HydrophobicContact CH2-CG2 3.76Å; W72-I129 HydrophobicContact CZ2-CB 3.94Å; W72-I129 HydrophobicContact CZ2-CD1 3.79Å; W72-I129 HydrophobicContact CZ2-CG1 4.46Å; W72-I129 HydrophobicContact CZ2-CG2 3.76Å; W72-I129 HydrophobicContact CZ3-CG2 4.29Å; W72-I129 PolarHBondContact N-O 3.4Å; W72-I129 VanDerWaalsContact N-O 3.13Å; W72-I129 PolarHBondContact O-N 3.01Å; W72-Y131 HydrophobicContact CH2-CG 4.36Å; W72-Y131 VanDerWaalsContact CZ3-CB 3.49Å; W72-Y131 HydrophobicContact CZ3-CG 4.39Å
73R95.4Very high91.5Very high116 Ų11649.5 Ų49.544%0.43825%0.248SC..EExtended strand (participates in β ladder)trans-101.1131.6176.4-173.6-179.6-66.5-88.7-4.5110.5D75 D126 V128R73-D75 VanDerWaalsContact CD-OD1 3.32Å; R73-D75 WeakPolarHBondContact CD-OD1 3.49Å; R73-D75 WeakPolarHBondContact CG-OD1 3.39Å; R73-D126 IonicContact CZ-OD2 3.53Å; R73-D126 PolarHBondContact NH1-O 2.87Å; R73-D126 IonicContact NH1-OD2 3.51Å; R73-D126 PolarHBondContact NH1-OD2 3.49Å; R73-D126 IonicContact NH2-OD2 3.57Å; R73-D126 PolarHBondContact NH2-OD2 3.13Å; R73-V128 HydrophobicContact CB-CG2 4.23Å; R73-V128 HydrophobicContact CG-CG2 4.28Å
74D95.2Very high91Very high1 Ų154.9 Ų54.91%0.00527%0.272CS..  trans-128.297.7169.2-168.3-14.8000109.4Y28 P34 R76 L77 G127 I129Y28-D74 VanDerWaalsContact CE2-OD2 3.23Å; Y28-D74 WeakPolarHBondContact CE2-OD2 3.19Å; Y28-D74 PolarHBondContact OH-OD2 2.86Å; P34-D74 HydrophobicContact CB-CB 4.27Å; P34-D74 HydrophobicContact CG-CB 3.9Å; D74-R76 PolarHBondContact O-N 2.9Å; D74-R76 WeakPolarHBondContact OD1-CB 3.37Å; D74-R76 WeakPolarHBondContact OD1-CG 3.46Å; D74-R76 IonicContact OD1-CZ 3.66Å; D74-R76 PolarHBondContact OD1-N 3.44Å; D74-R76 IonicContact OD1-NE 2.95Å; D74-R76 PolarHBondContact OD1-NE 2.94Å; D74-R76 IonicContact OD1-NH2 2.78Å; D74-R76 IonicContact OD2-CZ 3.19Å; D74-R76 IonicContact OD2-NE 3.69Å; D74-R76 PolarHBondContact OD2-NE 3.32Å; D74-R76 IonicContact OD2-NH2 3.19Å; D74-R76 PolarHBondContact OD2-NH2 2.95Å; D74-L77 HydrophobicContact CB-CD1 4.35Å; D74-L77 PolarHBondContact O-N 2.86Å; D74-G127 PolarHBondContact N-O 3.29Å; D74-I129 HydrophobicContact CB-CD1 4.13Å
75D92.2Very high90.8Very high109 Ų10958.1 Ų58.158%0.58329%0.291SS*.G310 helixtrans-58.9-23.4-175.2-60.1-34.3000113R73 L77 S78R73-D75 VanDerWaalsContact CD-OD1 3.32Å; R73-D75 WeakPolarHBondContact CD-OD1 3.49Å; R73-D75 WeakPolarHBondContact CG-OD1 3.39Å; D75-L77 PolarHBondContact O-N 3.42Å; D75-S78 WeakPolarHBondContact O-CB 3.23Å; D75-S78 PolarHBondContact O-N 3.27Å; D75-S78 PolarHBondContact O-OG 3.5Å
76R92.5Very high90.5Very high87 Ų8758.6 Ų58.633%0.32829%0.294SS..G310 helixtrans-64.4-19.9177.6-57.6175-68.1-1801.3112.8Y28 A29 F32 D74Y28-R76 HydrophobicContact CD2-CB 4.03Å; Y28-R76 HydrophobicContact CE2-CB 4.19Å; Y28-R76 VanDerWaalsContact CE2-CZ 3.49Å; Y28-R76 PolarHBondContact OH-NH2 2.96Å; A29-R76 PolarHBondContact O-NH1 2.91Å; F32-R76 PolarHBondContact O-NH2 3.5Å; D74-R76 PolarHBondContact O-N 2.9Å; D74-R76 WeakPolarHBondContact OD1-CB 3.37Å; D74-R76 WeakPolarHBondContact OD1-CG 3.46Å; D74-R76 IonicContact OD1-CZ 3.66Å; D74-R76 PolarHBondContact OD1-N 3.44Å; D74-R76 IonicContact OD1-NE 2.95Å; D74-R76 PolarHBondContact OD1-NE 2.94Å; D74-R76 IonicContact OD1-NH2 2.78Å; D74-R76 IonicContact OD2-CZ 3.19Å; D74-R76 IonicContact OD2-NE 3.69Å; D74-R76 PolarHBondContact OD2-NE 3.32Å; D74-R76 IonicContact OD2-NH2 3.19Å; D74-R76 PolarHBondContact OD2-NH2 2.95Å
77L91.6Very high90.3Very high2 Ų261.4 Ų61.41%0.0132%0.324CS..G310 helixtrans-108.511.7-178.3-60.5173.2000112.5L24 M25 Y28 D74 D75 L96 L123 I129L24-L77 HydrophobicContact CD2-CD2 4.49Å; L24-L77 HydrophobicContact CG-CD2 4.21Å; M25-L77 HydrophobicContact SD-CD2 3.53Å; M25-L77 VanDerWaalsContact SD-CD2 3.53Å; Y28-L77 HydrophobicContact CD2-CD2 3.77Å; Y28-L77 HydrophobicContact CD2-CG 4.1Å; Y28-L77 HydrophobicContact CE2-CD1 3.8Å; Y28-L77 HydrophobicContact CE2-CD2 3.9Å; Y28-L77 HydrophobicContact CE2-CG 3.76Å; Y28-L77 HydrophobicContact CG-CD2 4.44Å; D74-L77 HydrophobicContact CB-CD1 4.35Å; D74-L77 PolarHBondContact O-N 2.86Å; D75-L77 PolarHBondContact O-N 3.42Å; L77-L96 HydrophobicContact CD1-CD2 3.4Å; L77-L123 HydrophobicContact CB-CD1 3.99Å; L77-L123 HydrophobicContact CB-CD2 4.44Å; L77-I129 HydrophobicContact CD1-CD1 3.69Å
78S91.4Very high90.1Very high60 Ų6060.1 Ų60.142%0.4232%0.32SS..  trans-66.3142.9172.160.20000111.2D75 P125D75-S78 WeakPolarHBondContact O-CB 3.23Å; D75-S78 PolarHBondContact O-N 3.27Å; D75-S78 PolarHBondContact O-OG 3.5Å; S78-P125 WeakPolarHBondContact CA-O 3.41Å
79Y88.5Confident89.9Confident15 Ų1563.4 Ų63.46%0.05934%0.338CS..  trans-140.1146.9178.762.2-88.5000110.7P19 T82 E84 L86 L123 Q124 P125P19-Y79 HydrophobicContact CG-CD2 4.29Å; P19-Y79 HydrophobicContact CG-CG 4.38Å; Y79-T82 WeakPolarHBondContact CE2-O 3.44Å; Y79-T82 WeakPolarHBondContact CE2-OG1 3.34Å; Y79-E84 PolarHBondContact OH-O 2.85Å; Y79-L86 HydrophobicContact CD1-CD1 4.27Å; Y79-L86 HydrophobicContact CE1-CD1 3.71Å; Y79-L86 HydrophobicContact CE1-CG 4.26Å; Y79-L86 HydrophobicContact CE2-CD1 4.03Å; Y79-L86 HydrophobicContact CE2-CG 4.31Å; Y79-L86 WeakPolarHBondContact OH-CG 3.45Å; Y79-L123 HydrophobicContact CD1-CD2 4.02Å; Y79-L123 HydrophobicContact CD1-CG 4.44Å; Y79-L123 HydrophobicContact CE1-CD2 3.83Å; Y79-L123 HydrophobicContact CE1-CG 3.89Å; Y79-L123 PolarHBondContact OH-O 3.38Å; Y79-Q124 WeakPolarHBondContact CE1-O 3.5Å; Y79-P125 HydrophobicContact CE2-CB 4.04Å; Y79-P125 HydrophobicContact CE2-CG 4.02Å; Y79-P125 VanDerWaalsContact CZ-CA 3.47Å; Y79-P125 PolarHBondContact N-O 3.49Å; Y79-P125 VanDerWaalsContact O-O 3.1Å; Y79-P125 WeakPolarHBondContact OH-CD 3.46Å
80N84.4Confident89.6Confident152 Ų15261.8 Ų61.881%0.81333%0.331SS*.  trans-117.413.1-177-16013.3000112.9
81H79.2Confident89.2Confident143 Ų14369.9 Ų69.966%0.66236%0.361SS*.SBendtrans-78.1-30.1-178.5-67.681.9000111.7
82T80.4Confident88.9Confident20 Ų2069 Ų6912%0.12335%0.353CS..  trans-148.4156177.751.70000112.2W17 Y79 E84 P125W17-T82 HydrophobicContact CB-CG2 3.69Å; W17-T82 HydrophobicContact CD2-CG2 4.09Å; W17-T82 HydrophobicContact CE3-CG2 3.55Å; W17-T82 HydrophobicContact CG-CG2 4.21Å; W17-T82 HydrophobicContact CZ3-CG2 4.44Å; W17-T82 WeakPolarHBondContact O-CG2 3.44Å; Y79-T82 WeakPolarHBondContact CE2-O 3.44Å; Y79-T82 WeakPolarHBondContact CE2-OG1 3.34Å; T82-E84 VanDerWaalsContact C-N 3.32Å; T82-P125 WeakPolarHBondContact O-CG 3.42Å
83N83.6Confident88.6Confident144 Ų14469.1 Ų69.177%0.7735%0.354SS*.SBendtrans-90.91.9171.3-68.6-17000112.8
84E85.8Confident88.3Confident130 Ų13068.4 Ų68.461%0.60736%0.359SS*.SBendtrans-84.7145.5-178.2-64.6-61.4158.800110.8Y79 T82Y79-E84 PolarHBondContact OH-O 2.85Å; T82-E84 VanDerWaalsContact C-N 3.32Å
85T88.3Confident88.1Confident69 Ų6973.4 Ų73.442%0.42338%0.381SS..PPolyproline II helixtrans-76.7127.9173.9-61.10000110.2R122 Q124T85-R122 HydrophobicContact CG2-CB 3.77Å; T85-R122 HydrophobicContact CG2-CG 4.28Å; T85-Q124 HydrophobicContact CG2-CG 4.23Å
86L89.4Confident88.1Confident14 Ų1468.8 Ų68.87%0.07336%0.356CS..EExtended strand (participates in β ladder)trans-87.6118.5179.6-60.1173.3000110.4W17 L18 P19 Y79 L88 R122 L123W17-L86 HydrophobicContact CZ3-CD2 4.27Å; L18-L86 HydrophobicContact CD2-CD2 4.42Å; P19-L86 HydrophobicContact CG-CD1 3.46Å; P19-L86 VanDerWaalsContact CG-CD1 3.46Å; Y79-L86 HydrophobicContact CD1-CD1 4.27Å; Y79-L86 HydrophobicContact CE1-CD1 3.71Å; Y79-L86 HydrophobicContact CE1-CG 4.26Å; Y79-L86 HydrophobicContact CE2-CD1 4.03Å; Y79-L86 HydrophobicContact CE2-CG 4.31Å; Y79-L86 WeakPolarHBondContact OH-CG 3.45Å; L86-L88 HydrophobicContact CB-CD2 4.16Å; L86-R122 CarbonylContact O-C 3.6Å; L86-R122 WeakPolarHBondContact O-CA 3.17Å; L86-L123 PolarHBondContact N-O 3.15Å; L86-L123 PolarHBondContact O-N 3.36Å
87G89.4Confident88.2Confident65 Ų6565 Ų6567%0.6734%0.342SS*.EExtended strand (participates in β ladder)trans-80.9115166.700000109.9
88L89.6Confident88.4Confident31 Ų3167.4 Ų67.416%0.16236%0.355CS..EExtended strand (participates in β ladder)trans-100.4149.3-178.1-54.1178.1000110.5L21 L86 F92 I121 L123L21-L88 HydrophobicContact CD2-CD2 4.43Å; L86-L88 HydrophobicContact CB-CD2 4.16Å; L88-F92 HydrophobicContact CB-CB 4.37Å; L88-F92 HydrophobicContact CB-CD1 4.31Å; L88-F92 HydrophobicContact CD1-CD1 3.44Å; L88-F92 VanDerWaalsContact CD1-CD1 3.44Å; L88-F92 HydrophobicContact CD1-CE1 3.55Å; L88-F92 HydrophobicContact CD1-CG 4.3Å; L88-F92 HydrophobicContact CG-CD1 4.46Å; L88-I121 HydrophobicContact CB-CB 4.15Å; L88-I121 HydrophobicContact CB-CG2 4.24Å; L88-I121 HydrophobicContact CD1-CG2 4.09Å; L88-I121 HydrophobicContact CG-CG2 4.46Å; L88-I121 PolarHBondContact N-O 3.23Å; L88-L123 HydrophobicContact CD1-CB 4.11Å
89D89.1Confident88.6Confident78 Ų7865 Ų6542%0.41734%0.337SS..  trans-64.2147.3175.5-175.1-78.6000111.1R91 F92D89-R91 PolarHBondContact O-N 3.18Å; D89-R91 VanDerWaalsContact O-N 3.15Å; D89-R91 VanDerWaalsContact OD1-CB 3.26Å; D89-R91 WeakPolarHBondContact OD1-CB 3.37Å; D89-R91 WeakPolarHBondContact OD1-CG 3.45Å; D89-R91 IonicContact OD1-CZ 3.57Å; D89-R91 PolarHBondContact OD1-N 3.37Å; D89-R91 IonicContact OD1-NE 3.25Å; D89-R91 PolarHBondContact OD1-NE 2.99Å; D89-R91 IonicContact OD1-NH2 2.77Å; D89-R91 IonicContact OD2-CZ 2.89Å; D89-R91 IonicContact OD2-NE 2.67Å; D89-R91 IonicContact OD2-NH2 2.73Å; D89-R91 PolarHBondContact OD2-NH2 3.48Å; D89-F92 VanDerWaalsContact O-CB 3.23Å; D89-F92 WeakPolarHBondContact O-CB 3.3Å; D89-F92 PolarHBondContact O-N 3.29Å
90S88.1Confident88.8Confident13 Ų1366.4 Ų66.49%0.09135%0.346CS..G310 helixtrans-58.4-28.1-178.754.80000113.6F92 V93 K119S90-F92 PolarHBondContact O-N 3.46Å; S90-V93 VanDerWaalsContact O-CB 3.3Å; S90-V93 WeakPolarHBondContact O-CB 3.18Å; S90-V93 WeakPolarHBondContact O-CG2 3.33Å; S90-V93 PolarHBondContact O-N 3.35Å; S90-K119 WeakPolarHBondContact CB-O 3.45Å
91R87.7Confident89.4Confident179 Ų17960.3 Ų60.368%0.67532%0.315SS*.G310 helixtrans-65.8-17.4175.8-66.1169.9-72.1179.4-4.1113.2D89 V93D89-R91 PolarHBondContact O-N 3.18Å; D89-R91 VanDerWaalsContact O-N 3.15Å; D89-R91 VanDerWaalsContact OD1-CB 3.26Å; D89-R91 WeakPolarHBondContact OD1-CB 3.37Å; D89-R91 WeakPolarHBondContact OD1-CG 3.45Å; D89-R91 IonicContact OD1-CZ 3.57Å; D89-R91 PolarHBondContact OD1-N 3.37Å; D89-R91 IonicContact OD1-NE 3.25Å; D89-R91 PolarHBondContact OD1-NE 2.99Å; D89-R91 IonicContact OD1-NH2 2.77Å; D89-R91 IonicContact OD2-CZ 2.89Å; D89-R91 IonicContact OD2-NE 2.67Å; D89-R91 IonicContact OD2-NH2 2.73Å; D89-R91 PolarHBondContact OD2-NH2 3.48Å; R91-V93 PolarHBondContact O-N 3.37Å
92F88.7Confident90.1Very high17 Ų1756.7 Ų56.78%0.07530%0.297CS..G310 helixtrans-72.5-19.9177.8-165.9-109.4000112.8L21 M25 L88 D89 S90 D94 K95 L96 I121L21-F92 HydrophobicContact CD1-CE1 4.24Å; L21-F92 HydrophobicContact CD1-CE2 3.91Å; L21-F92 HydrophobicContact CD1-CZ 3.57Å; L21-F92 HydrophobicContact CD2-CD2 3.58Å; L21-F92 HydrophobicContact CD2-CE2 3.32Å; L21-F92 HydrophobicContact CD2-CG 4.32Å; L21-F92 HydrophobicContact CD2-CZ 3.85Å; L21-F92 HydrophobicContact CG-CD2 4.31Å; L21-F92 HydrophobicContact CG-CE2 3.54Å; L21-F92 HydrophobicContact CG-CZ 3.76Å; M25-F92 HydrophobicContact CE-CZ 4.22Å; M25-F92 HydrophobicContact CG-CE2 4.01Å; M25-F92 HydrophobicContact CG-CZ 3.77Å; M25-F92 HydrophobicContact SD-CE1 4.43Å; M25-F92 HydrophobicContact SD-CE2 4.29Å; M25-F92 HydrophobicContact SD-CZ 3.57Å; M25-F92 VanDerWaalsContact SD-CZ 3.57Å; L88-F92 HydrophobicContact CB-CB 4.37Å; L88-F92 HydrophobicContact CB-CD1 4.31Å; L88-F92 HydrophobicContact CD1-CD1 3.44Å; L88-F92 VanDerWaalsContact CD1-CD1 3.44Å; L88-F92 HydrophobicContact CD1-CE1 3.55Å; L88-F92 HydrophobicContact CD1-CG 4.3Å; L88-F92 HydrophobicContact CG-CD1 4.46Å; D89-F92 VanDerWaalsContact O-CB 3.23Å; D89-F92 WeakPolarHBondContact O-CB 3.3Å; D89-F92 PolarHBondContact O-N 3.29Å; S90-F92 PolarHBondContact O-N 3.46Å; F92-D94 PolarHBondContact O-N 2.9Å; F92-K95 HydrophobicContact CD2-CB 4.49Å; F92-K95 HydrophobicContact CD2-CD 4.05Å; F92-K95 HydrophobicContact CE2-CB 4.38Å; F92-K95 HydrophobicContact CE2-CD 4.01Å; F92-K95 PolarHBondContact O-N 3.5Å; F92-L96 HydrophobicContact CD1-CD1 3.63Å; F92-L96 HydrophobicContact CD1-CD2 4.31Å; F92-L96 HydrophobicContact CD1-CG 3.84Å; F92-L96 HydrophobicContact CE1-CD1 3.75Å; F92-L96 HydrophobicContact CE1-CD2 3.64Å; F92-L96 HydrophobicContact CE1-CG 3.69Å; F92-L96 HydrophobicContact CZ-CD2 4.28Å; F92-I121 HydrophobicContact CB-CD1 4.14Å; F92-I121 HydrophobicContact CD1-CD1 4.39Å
93V89.4Confident90.9Very high6 Ų656.8 Ų56.84%0.03630%0.296CS..G310 helixtrans-51.3-42177.2175.20000111.5S90 R91 K95 L96 L98 K119 I121 Y131S90-V93 VanDerWaalsContact O-CB 3.3Å; S90-V93 WeakPolarHBondContact O-CB 3.18Å; S90-V93 WeakPolarHBondContact O-CG2 3.33Å; S90-V93 PolarHBondContact O-N 3.35Å; R91-V93 PolarHBondContact O-N 3.37Å; V93-K95 PolarHBondContact O-N 3.35Å; V93-K95 VanDerWaalsContact O-N 3.12Å; V93-L96 PolarHBondContact O-N 3.02Å; V93-L96 VanDerWaalsContact O-N 3.1Å; V93-L98 HydrophobicContact CG1-CD1 3.5Å; V93-L98 VanDerWaalsContact CG1-CD1 3.5Å; V93-L98 HydrophobicContact CG1-CD2 4.4Å; V93-L98 HydrophobicContact CG1-CG 4.44Å; V93-K119 HydrophobicContact CB-CD 4.4Å; V93-K119 HydrophobicContact CG1-CD 4.31Å; V93-K119 HydrophobicContact CG2-CB 4.16Å; V93-K119 HydrophobicContact CG2-CD 3.96Å; V93-I121 HydrophobicContact CB-CD1 4.11Å; V93-I121 HydrophobicContact CG2-CD1 3.22Å; V93-I121 HydrophobicContact CG2-CG1 3.71Å; V93-Y131 HydrophobicContact CG1-CE2 4.17Å; V93-Y131 HydrophobicContact CG2-CD2 4.42Å; V93-Y131 HydrophobicContact CG2-CE2 3.73Å
94D88.9Confident91.5Very high102 Ų10252 Ų5255%0.54527%0.273SS..G310 helixtrans-64.9-20.4-177-65.1-27.1000113.1R30 F92R30-D94 WeakPolarHBondContact CD-O 3.46Å; R30-D94 PolarHBondContact NH1-O 2.93Å; F92-D94 PolarHBondContact O-N 2.9Å
95K91Very high92Very high106 Ų10647 Ų4746%0.46125%0.25SC..G310 helixtrans-90.4-11.9179.6-58.9-175.1-179.7-1790113M25 Y28 R30 F92 V93M25-K95 HydrophobicContact CE-CB 3.87Å; M25-K95 WeakPolarHBondContact CE-O 3.49Å; Y28-K95 WeakPolarHBondContact CE1-O 3.49Å; R30-K95 WeakPolarHBondContact CB-O 3.31Å; F92-K95 HydrophobicContact CD2-CB 4.49Å; F92-K95 HydrophobicContact CD2-CD 4.05Å; F92-K95 HydrophobicContact CE2-CB 4.38Å; F92-K95 HydrophobicContact CE2-CD 4.01Å; F92-K95 PolarHBondContact O-N 3.5Å; V93-K95 PolarHBondContact O-N 3.35Å; V93-K95 VanDerWaalsContact O-N 3.12Å
96L93.5Very high92.4Very high11 Ų1145.5 Ų45.56%0.05825%0.245CC..SBendtrans-97.2152-174.9-68.4177.9000111.9M25 Y28 L77 F92 V93 I121M25-L96 HydrophobicContact CE-CD2 4.42Å; M25-L96 HydrophobicContact SD-CD2 4.41Å; Y28-L96 HydrophobicContact CE1-CD2 4.42Å; L77-L96 HydrophobicContact CD1-CD2 3.4Å; F92-L96 HydrophobicContact CD1-CD1 3.63Å; F92-L96 HydrophobicContact CD1-CD2 4.31Å; F92-L96 HydrophobicContact CD1-CG 3.84Å; F92-L96 HydrophobicContact CE1-CD1 3.75Å; F92-L96 HydrophobicContact CE1-CD2 3.64Å; F92-L96 HydrophobicContact CE1-CG 3.69Å; F92-L96 HydrophobicContact CZ-CD2 4.28Å; V93-L96 PolarHBondContact O-N 3.02Å; V93-L96 VanDerWaalsContact O-N 3.1Å; L96-I121 HydrophobicContact CD1-CD1 4.15Å; L96-I121 HydrophobicContact CD1-CG2 4.31Å
97W95.1Very high92.6Very high7 Ų750 Ų503%0.02726%0.263CS..  trans-72.3137.2160.1178.789.5000108.6Y28 R30 R33 P34 W72 P99 Y164 I169Y28-W97 WeakPolarHBondContact OH-CB 3.47Å; Y28-W97 PolarHBondContact OH-N 3.44Å; Y28-W97 VanDerWaalsContact OH-N 3.07Å; R30-W97 VanDerWaalsContact O-CB 3.31Å; R30-W97 WeakPolarHBondContact O-CB 3.28Å; R33-W97 HydrophobicContact CB-CH2 4.25Å; R33-W97 HydrophobicContact CB-CZ2 3.52Å; P34-W97 HydrophobicContact CG-CD2 4.47Å; P34-W97 HydrophobicContact CG-CE3 3.92Å; P34-W97 HydrophobicContact CG-CZ3 4.12Å; W72-W97 AromaticContact CD1-CZ3 3.92Å; W72-W97 HydrophobicContact CG-CZ3 4.36Å; W72-W97 WeakPolarHBondContact CZ2-O 3.3Å; W72-W97 AromaticContact NE1-CE3 3.8Å; W72-W97 AromaticContact NE1-CZ3 3.89Å; W97-P99 HydrophobicContact CH2-CB 4.23Å; W97-P99 HydrophobicContact CZ3-CB 4.48Å; W97-Y164 HydrophobicContact CZ2-CD2 4.5Å; W97-Y164 AromaticContact CZ2-CE2 3.87Å; W97-Y164 HydrophobicContact CZ2-CE2 3.87Å; W97-Y164 AromaticContact NE1-CZ 3.86Å; W97-Y164 PolarHBondContact NE1-OH 3.33Å; W97-I169 HydrophobicContact CH2-CD1 3.74Å; W97-I169 HydrophobicContact CH2-CG1 4.48Å; W97-I169 HydrophobicContact CZ2-CD1 3.88Å
98L94.7Very high92.9Very high53 Ų5349.7 Ų49.728%0.27725%0.251SS..  trans-124.7144.9175.4-57.8172.4000109.3W72 V93W72-L98 HydrophobicContact CH2-CD2 3.64Å; W72-L98 HydrophobicContact CZ2-CD2 4.03Å; V93-L98 HydrophobicContact CG1-CD1 3.5Å; V93-L98 VanDerWaalsContact CG1-CD1 3.5Å; V93-L98 HydrophobicContact CG1-CD2 4.4Å; V93-L98 HydrophobicContact CG1-CG 4.44Å
99P95.2Very high93.1Very high9 Ų951 Ų516%0.05827%0.266CS..  trans-60.9141.3165.527.6-34.2000110V43 W72 W97 T101 I169 Y171V43-P99 HydrophobicContact CG1-CB 4.38Å; V43-P99 HydrophobicContact CG1-CG 4.16Å; V43-P99 HydrophobicContact CG2-CB 4.29Å; W72-P99 HydrophobicContact CE3-CG 4.14Å; W72-P99 HydrophobicContact CZ3-CG 4.2Å; W97-P99 HydrophobicContact CH2-CB 4.23Å; W97-P99 HydrophobicContact CZ3-CB 4.48Å; P99-T101 PolarHBondContact O-N 2.96Å; P99-T101 VanDerWaalsContact O-N 3.11Å; P99-I169 HydrophobicContact CB-CD1 4.36Å; P99-Y171 HydrophobicContact CB-CE1 4.36Å
100D93.8Very high93.3Very high45 Ų4553.1 Ų53.124%0.24127%0.269CS..  trans-87.641.5-176.766.8-12.9000112.3F102 S161 Y162 G163 Y164D100-F102 PolarHBondContact O-N 3.13Å; D100-S161 VanDerWaalsContact CG-OG 3.23Å; D100-S161 WeakPolarHBondContact OD1-CB 3.21Å; D100-S161 PolarHBondContact OD1-OG 3.26Å; D100-S161 PolarHBondContact OD2-OG 2.85Å; D100-Y162 PolarHBondContact O-N 2.97Å; D100-Y162 PolarHBondContact OD2-N 3.28Å; D100-G163 WeakPolarHBondContact OD2-CA 3.36Å; D100-G163 PolarHBondContact OD2-N 2.93Å; D100-Y164 HydrophobicContact CB-CD2 4.45Å; D100-Y164 HydrophobicContact CB-CE2 4.42Å; D100-Y164 VanDerWaalsContact CG-CD2 3.49Å; D100-Y164 WeakPolarHBondContact OD1-CD2 3.44Å; D100-Y164 WeakPolarHBondContact OD2-CD2 3.42Å
101T95.6Very high93.5Very high25 Ų2558.7 Ų58.715%0.15329%0.291CS..EExtended strand (participates in β ladder)trans-60.9124178.6-52.10000110.2L45 L68 Q70 P99 L159 E160 Y171L45-T101 HydrophobicContact CD1-CG2 3.97Å; L68-T101 HydrophobicContact CD2-CG2 4.22Å; Q70-T101 PolarHBondContact OE1-OG1 3.19Å; P99-T101 PolarHBondContact O-N 2.96Å; P99-T101 VanDerWaalsContact O-N 3.11Å; T101-L159 HydrophobicContact CG2-CB 4.24Å; T101-L159 HydrophobicContact CG2-CD2 4.24Å; T101-E160 WeakPolarHBondContact CA-O 3.45Å; T101-Y171 PolarHBondContact OG1-OH 3.24Å
102F94.9Very high93.5Very high67 Ų6751.6 Ų51.629%0.29427%0.266SS..EExtended strand (participates in β ladder)trans-129.7156.417680.7-73.4000111.4D100 V104 L159 E160 S161 Y162D100-F102 PolarHBondContact O-N 3.13Å; F102-V104 HydrophobicContact CE1-CG2 4.41Å; F102-V104 HydrophobicContact CE2-CB 4.28Å; F102-V104 HydrophobicContact CE2-CG2 4.03Å; F102-V104 HydrophobicContact CZ-CG2 3.87Å; F102-L159 WeakPolarHBondContact O-CA 3.48Å; F102-E160 WeakPolarHBondContact CD1-O 3.36Å; F102-E160 HydrophobicContact CE1-CB 3.85Å; F102-E160 HydrophobicContact CE1-CG 4.39Å; F102-E160 HydrophobicContact CZ-CB 4.35Å; F102-E160 PolarHBondContact N-O 3.45Å; F102-E160 PolarHBondContact O-N 3.28Å; F102-E160 VanDerWaalsContact O-N 3.1Å; F102-S161 WeakPolarHBondContact CE1-O 3.11Å; F102-Y162 HydrophobicContact CD1-CD2 4.16Å; F102-Y162 HydrophobicContact CD2-CD2 4.47Å; F102-Y162 HydrophobicContact CE1-CD2 4.16Å; F102-Y162 HydrophobicContact CE2-CD2 4.43Å; F102-Y162 HydrophobicContact CG-CD2 4.34Å; F102-Y162 HydrophobicContact CZ-CD2 4.29Å
103I97.3Very high93.3Very high21 Ų2156.2 Ų56.211%0.10829%0.291CS..EExtended strand (participates in β ladder)trans-86.1113.2175.2-58.9166.9000108.2A106 I135 V139 L157 D158 L159I103-A106 HydrophobicContact CB-CB 3.85Å; I103-A106 HydrophobicContact CG2-CB 3.76Å; I103-A106 WeakPolarHBondContact O-CB 3.33Å; I103-A106 PolarHBondContact O-N 3.33Å; I103-I135 HydrophobicContact CD1-CG2 4.23Å; I103-V139 HydrophobicContact CG2-CG2 4.34Å; I103-L157 HydrophobicContact CD1-CD1 4.27Å; I103-L157 HydrophobicContact CG1-CD1 4.36Å; I103-L157 HydrophobicContact CG2-CD1 3.61Å; I103-D158 CarbonylContact C-O 3.19Å; I103-D158 VanDerWaalsContact CA-O 3.27Å; I103-D158 WeakPolarHBondContact CA-O 3.3Å; I103-L159 HydrophobicContact CB-CD2 4.5Å; I103-L159 HydrophobicContact CG1-CD2 3.66Å
104V95.4Very high93Very high45 Ų4562.3 Ų62.327%0.27333%0.328SS..THydrogen-bonded Turntrans-65.9-45.2-170.6-179.50000111.9F102 A106 D158 E160F102-V104 HydrophobicContact CE1-CG2 4.41Å; F102-V104 HydrophobicContact CE2-CB 4.28Å; F102-V104 HydrophobicContact CE2-CG2 4.03Å; F102-V104 HydrophobicContact CZ-CG2 3.87Å; V104-A106 VanDerWaalsContact C-N 3.31Å; V104-A106 PolarHBondContact O-N 3.22Å; V104-D158 HydrophobicContact CB-CB 3.9Å; V104-D158 HydrophobicContact CG2-CB 4.17Å; V104-D158 PolarHBondContact N-O 3.35Å; V104-E160 HydrophobicContact CG2-CB 3.45Å; V104-E160 VanDerWaalsContact CG2-CB 3.45Å
105N96.2Very high92.6Very high24 Ų2464 Ų6413%0.12834%0.342CS..THydrogen-bonded Turntrans-92.716-175.758.5-19.9000113.1V139 A140 M156 D158N105-V139 HydrophobicContact CB-CG1 4.08Å; N105-V139 WeakPolarHBondContact ND2-CG1 3.32Å; N105-V139 WeakPolarHBondContact O-CA 3.33Å; N105-V139 WeakPolarHBondContact OD1-CG1 3.37Å; N105-A140 PolarHBondContact ND2-O 3.28Å; N105-A140 PolarHBondContact O-N 3.4Å; N105-M156 PolarHBondContact ND2-O 3.07Å; N105-D158 PolarHBondContact OD1-N 3.43Å
106A96.6Very high92.3Very high38 Ų3863 Ų6331%0.31435%0.345SS..EExtended strand (participates in β ladder)trans-71.4128.5175.400000111.4I103 V104 S137I103-A106 HydrophobicContact CB-CB 3.85Å; I103-A106 HydrophobicContact CG2-CB 3.76Å; I103-A106 WeakPolarHBondContact O-CB 3.33Å; I103-A106 PolarHBondContact O-N 3.33Å; V104-A106 VanDerWaalsContact C-N 3.31Å; V104-A106 PolarHBondContact O-N 3.22Å; A106-S137 WeakPolarHBondContact CB-OG 3.19Å
107K95.2Very high91.8Very high108 Ų10866.4 Ų66.447%0.4736%0.361SS..EExtended strand (participates in β ladder)trans-87-35.6167-66.6-177.8-178.2-179.20111.6N59 E61 T138 A140N59-K107 PolarHBondContact O-NZ 3.32Å; E61-K107 HydrophobicContact CB-CD 4.29Å; E61-K107 WeakPolarHBondContact OE2-CD 3.48Å; E61-K107 IonicContact OE2-NZ 3.93Å; E61-K107 PolarHBondContact OE2-NZ 3.02Å; K107-T138 PolarHBondContact N-O 3.12Å; K107-A140 HydrophobicContact CG-CB 4.36Å
108S94.6Very high91.4Very high58 Ų5869.4 Ų69.441%0.40638%0.377SS..EExtended strand (participates in β ladder)trans-153152.8173.464.70000109.8S137 T138S108-S137 WeakPolarHBondContact O-CA 3.44Å; S108-S137 PolarHBondContact O-OG 2.81Å; S108-S137 VanDerWaalsContact O-OG 3.13Å; S108-T138 PolarHBondContact N-O 3.48Å; S108-T138 PolarHBondContact O-N 3.44Å; S108-T138 WeakPolarHBondContact OG-CB 3.31Å; S108-T138 PolarHBondContact OG-OG1 2.96Å
109A94.4Very high91.3Very high59 Ų5968.8 Ų68.849%0.48837%0.372SS..EExtended strand (participates in β ladder)trans-152.7151.9175.400000110I135 T136A109-I135 HydrophobicContact CB-CG2 4.41Å; A109-T136 CarbonylContact C-O 3.42Å; A109-T136 VanDerWaalsContact CA-O 3.3Å; A109-T136 WeakPolarHBondContact CA-O 3.36Å
110W92.9Very high91.1Very high123 Ų12371.5 Ų71.547%0.46639%0.386SS..EExtended strand (participates in β ladder)trans-141.9152.4171.964.295000111.3T63 T136T63-W110 HydrophobicContact CG2-CH2 4.1Å; W110-T136 HydrophobicContact CD2-CG2 4.42Å; W110-T136 VanDerWaalsContact CE2-CB 3.46Å; W110-T136 HydrophobicContact CH2-CG2 3.35Å; W110-T136 VanDerWaalsContact CZ2-CB 3.49Å; W110-T136 HydrophobicContact CZ2-CG2 3.17Å; W110-T136 HydrophobicContact CZ3-CG2 4.05Å; W110-T136 PolarHBondContact N-O 3.15Å; W110-T136 PolarHBondContact O-N 3.25Å; W110-T136 VanDerWaalsContact O-N 3.1Å
111F91.4Very high91.1Very high129 Ų12969.5 Ų69.557%0.56638%0.375SS*.EExtended strand (participates in β ladder)trans-90.5155.1172.7-58.2-65.1000110I133 I135F111-I133 HydrophobicContact CD1-CD1 3.32Å; F111-I133 HydrophobicContact CD1-CG1 3.96Å; F111-I133 HydrophobicContact CE1-CD1 3.43Å; F111-I133 VanDerWaalsContact CE1-CD1 3.43Å; F111-I133 HydrophobicContact CE1-CG1 4.29Å; F111-I133 HydrophobicContact CG-CD1 4.2Å; F111-I133 HydrophobicContact CZ-CD1 4.4Å; F111-I135 HydrophobicContact CD1-CG1 4.04Å; F111-I135 HydrophobicContact CE1-CD1 4.12Å; F111-I135 HydrophobicContact CE1-CG1 3.93Å
112H88.6Confident91Very high31 Ų3174.2 Ų74.214%0.14439%0.39CS..  trans-95.8119.5178.8-68.6-104.8000110.7N118 T136H112-N118 HydrophobicContact CB-CB 4.18Å; H112-N118 VanDerWaalsContact CB-ND2 3.27Å; H112-N118 WeakPolarHBondContact CB-ND2 3.23Å; H112-N118 PolarHBondContact O-N 3.38Å; H112-T136 PolarHBondContact CE1-OG1 3.45Å; H112-T136 PolarHBondContact NE2-OG1 3.48Å
113D85.1Confident91Very high114 Ų11471.2 Ų71.261%0.6138%0.377SS*.  trans-135.711.3-170.563.9-13.3000114.8T115D113-T115 PolarHBondContact O-N 3.19Å
114V82.3Confident90.8Very high134 Ų13473.7 Ų73.781%0.81239%0.389SS*.SBendtrans-55.7-49.4-167.5-179.30000114.6
115T81.3Confident90.6Very high136 Ų13673 Ų7383%0.83439%0.385SS*.SBendtrans-107.1-44.1178.2-52.70000110.7D113D113-T115 PolarHBondContact O-N 3.19Å
116V83.3Confident90.4Very high86 Ų8674.8 Ų74.852%0.52139%0.394SS..SBendtrans-147.7155.1172-178.70000106.1N118V116-N118 PolarHBondContact O-N 3.11Å; V116-N118 PolarHBondContact O-OD1 3.37Å
117E84.5Confident90.2Very high82 Ų8273 Ų7338%0.38338%0.379SS..  trans-57125.2169.2-61.8-168.613400110.9K119E117-K119 HydrophobicContact CB-CD 4.28Å; E117-K119 HydrophobicContact CB-CG 4.3Å; E117-K119 PolarHBondContact O-N 2.79Å; E117-K119 IonicContact OE1-NZ 3.92Å; E117-K119 PolarHBondContact OE1-NZ 2.85Å; E117-K119 WeakPolarHBondContact OE2-CE 3.34Å; E117-K119 IonicContact OE2-NZ 3.29Å; E117-K119 PolarHBondContact OE2-NZ 2.94Å
118N86.8Confident90.2Very high71 Ų7168.5 Ų68.538%0.3836%0.361SS..  trans-78.664.2179.2-69.8-13000111.2H112 V116 R134H112-N118 HydrophobicContact CB-CB 4.18Å; H112-N118 VanDerWaalsContact CB-ND2 3.27Å; H112-N118 WeakPolarHBondContact CB-ND2 3.23Å; H112-N118 PolarHBondContact O-N 3.38Å; V116-N118 PolarHBondContact O-N 3.11Å; V116-N118 PolarHBondContact O-OD1 3.37Å; N118-R134 HydrophobicContact CB-CB 3.94Å; N118-R134 PolarHBondContact O-N 2.86Å
119K91.3Very high90.2Very high39 Ų3965.9 Ų65.917%0.1734%0.342CS..EExtended strand (participates in β ladder)trans-119.6125.5176.2-60.7174.7-170.31610108.4S90 V93 E117 Y131 S132 I133S90-K119 WeakPolarHBondContact CB-O 3.45Å; V93-K119 HydrophobicContact CB-CD 4.4Å; V93-K119 HydrophobicContact CG1-CD 4.31Å; V93-K119 HydrophobicContact CG2-CB 4.16Å; V93-K119 HydrophobicContact CG2-CD 3.96Å; E117-K119 HydrophobicContact CB-CD 4.28Å; E117-K119 HydrophobicContact CB-CG 4.3Å; E117-K119 PolarHBondContact O-N 2.79Å; E117-K119 IonicContact OE1-NZ 3.92Å; E117-K119 PolarHBondContact OE1-NZ 2.85Å; E117-K119 WeakPolarHBondContact OE2-CE 3.34Å; E117-K119 IonicContact OE2-NZ 3.29Å; E117-K119 PolarHBondContact OE2-NZ 2.94Å; K119-Y131 HydrophobicContact CB-CE2 4.17Å; K119-Y131 HydrophobicContact CG-CE2 4.41Å; K119-S132 CarbonylContact C-O 3.6Å; K119-S132 WeakPolarHBondContact CA-O 3.34Å; K119-I133 HydrophobicContact CG-CD1 4.11Å; K119-I133 HydrophobicContact CG-CG1 4.3Å
120L91.7Very high90.2Very high66 Ų6665.3 Ų65.335%0.34633%0.331SS..EExtended strand (participates in β ladder)trans-112.3132.9173.6167.9158.4000108.5R122 Y131 S132L120-R122 HydrophobicContact CD2-CG 3.98Å; L120-Y131 CarbonylContact O-C 3.56Å; L120-Y131 WeakPolarHBondContact O-CA 3.36Å; L120-S132 PolarHBondContact N-O 3.24Å; L120-S132 PolarHBondContact O-N 3.1Å
121I93.9Very high90.3Very high4 Ų460.2 Ų60.22%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-123.2130.1170.9-57.7161.9000108.4L88 F92 V93 L96 I129 L130 Y131L88-I121 HydrophobicContact CB-CB 4.15Å; L88-I121 HydrophobicContact CB-CG2 4.24Å; L88-I121 HydrophobicContact CD1-CG2 4.09Å; L88-I121 HydrophobicContact CG-CG2 4.46Å; L88-I121 PolarHBondContact N-O 3.23Å; F92-I121 HydrophobicContact CB-CD1 4.14Å; F92-I121 HydrophobicContact CD1-CD1 4.39Å; V93-I121 HydrophobicContact CB-CD1 4.11Å; V93-I121 HydrophobicContact CG2-CD1 3.22Å; V93-I121 HydrophobicContact CG2-CG1 3.71Å; L96-I121 HydrophobicContact CD1-CD1 4.15Å; L96-I121 HydrophobicContact CD1-CG2 4.31Å; I121-I129 HydrophobicContact CG2-CG2 4.05Å; I121-L130 CarbonylContact C-O 3.57Å; I121-L130 WeakPolarHBondContact CA-O 3.39Å; I121-Y131 HydrophobicContact CG1-CD2 4.05Å
122R93.9Very high90.5Very high124 Ų12454.6 Ų54.647%0.46829%0.289SS..EExtended strand (participates in β ladder)trans-124.6125.2167.4-72.6179.9-179.9162.4-0.1109.3T85 L86 L120 I129 L130T85-R122 HydrophobicContact CG2-CB 3.77Å; T85-R122 HydrophobicContact CG2-CG 4.28Å; L86-R122 CarbonylContact O-C 3.6Å; L86-R122 WeakPolarHBondContact O-CA 3.17Å; L120-R122 HydrophobicContact CD2-CG 3.98Å; R122-I129 WeakPolarHBondContact O-CA 3.42Å; R122-L130 HydrophobicContact CB-CB 4.24Å; R122-L130 PolarHBondContact N-O 3.3Å; R122-L130 PolarHBondContact O-N 2.94Å
123L93.4Very high90.7Very high4 Ų453.5 Ų53.52%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-106.3124.7176.6-179.570.4000108.9L24 L77 Y79 L86 L88 I129L24-L123 HydrophobicContact CD2-CD2 3.85Å; L77-L123 HydrophobicContact CB-CD1 3.99Å; L77-L123 HydrophobicContact CB-CD2 4.44Å; Y79-L123 HydrophobicContact CD1-CD2 4.02Å; Y79-L123 HydrophobicContact CD1-CG 4.44Å; Y79-L123 HydrophobicContact CE1-CD2 3.83Å; Y79-L123 HydrophobicContact CE1-CG 3.89Å; Y79-L123 PolarHBondContact OH-O 3.38Å; L86-L123 PolarHBondContact N-O 3.15Å; L86-L123 PolarHBondContact O-N 3.36Å; L88-L123 HydrophobicContact CD1-CB 4.11Å; L123-I129 HydrophobicContact CD1-CD1 4.44Å; L123-I129 HydrophobicContact CD1-CG1 3.69Å
124Q93.4Very high91.2Very high73 Ų7351.8 Ų51.834%0.34127%0.269SS..  trans-90.2156.2174.9-66.3-178.963.500110.9Y79 T85 D126 G127 V128Y79-Q124 WeakPolarHBondContact CE1-O 3.5Å; T85-Q124 HydrophobicContact CG2-CG 4.23Å; Q124-D126 WeakPolarHBondContact CB-OD1 3.29Å; Q124-D126 PolarHBondContact O-N 2.98Å; Q124-D126 VanDerWaalsContact O-N 3.12Å; Q124-G127 PolarHBondContact O-N 2.95Å; Q124-V128 HydrophobicContact CB-CB 4.16Å; Q124-V128 HydrophobicContact CG-CB 4.44Å; Q124-V128 PolarHBondContact N-O 3.22Å
125P91.8Very high91.8Very high30 Ų3046.1 Ų46.120%0.19523%0.234CC..THydrogen-bonded Turntrans-55.4-32.5-178.3-25.733.4000114.2S78 Y79 T82 G127S78-P125 WeakPolarHBondContact CA-O 3.41Å; Y79-P125 HydrophobicContact CE2-CB 4.04Å; Y79-P125 HydrophobicContact CE2-CG 4.02Å; Y79-P125 VanDerWaalsContact CZ-CA 3.47Å; Y79-P125 PolarHBondContact N-O 3.49Å; Y79-P125 VanDerWaalsContact O-O 3.1Å; Y79-P125 WeakPolarHBondContact OH-CD 3.46Å; T82-P125 WeakPolarHBondContact O-CG 3.42Å; P125-G127 PolarHBondContact O-N 3.13Å
126D91.8Very high92.5Very high61 Ų6139.8 Ų39.833%0.32620%0.195SC..THydrogen-bonded Turntrans-83.37.5-178.572.7-25.4000113.9R73 Q124 V128R73-D126 IonicContact CZ-OD2 3.53Å; R73-D126 PolarHBondContact NH1-O 2.87Å; R73-D126 IonicContact NH1-OD2 3.51Å; R73-D126 PolarHBondContact NH1-OD2 3.49Å; R73-D126 IonicContact NH2-OD2 3.57Å; R73-D126 PolarHBondContact NH2-OD2 3.13Å; Q124-D126 WeakPolarHBondContact CB-OD1 3.29Å; Q124-D126 PolarHBondContact O-N 2.98Å; Q124-D126 VanDerWaalsContact O-N 3.12Å; D126-V128 WeakPolarHBondContact OD1-CG2 3.36Å; D126-V128 PolarHBondContact OD1-N 2.89Å; D126-V128 WeakPolarHBondContact OD2-CG2 3.23Å
127G92.6Very high93.1Very high0 Ų035.8 Ų35.80%017%0.171CC..SBendtrans84.28.9178.900000114.3D74 Q124 P125D74-G127 PolarHBondContact N-O 3.29Å; Q124-G127 PolarHBondContact O-N 2.95Å; P125-G127 PolarHBondContact O-N 3.13Å
128V94.5Very high93.7Very high15 Ų1532.5 Ų32.59%0.09116%0.156CC..EExtended strand (participates in β ladder)trans-75.2126.9172.3177.90000110.1S71 W72 R73 Q124 D126S71-V128 WeakPolarHBondContact OG-CG1 3.46Å; W72-V128 CarbonylContact O-C 3.45Å; W72-V128 WeakPolarHBondContact O-CA 3.46Å; R73-V128 HydrophobicContact CB-CG2 4.23Å; R73-V128 HydrophobicContact CG-CG2 4.28Å; Q124-V128 HydrophobicContact CB-CB 4.16Å; Q124-V128 HydrophobicContact CG-CB 4.44Å; Q124-V128 PolarHBondContact N-O 3.22Å; D126-V128 WeakPolarHBondContact OD1-CG2 3.36Å; D126-V128 PolarHBondContact OD1-N 2.89Å; D126-V128 WeakPolarHBondContact OD2-CG2 3.23Å
129I95.2Very high94.2Very high2 Ų229.1 Ų29.11%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-107.4122178.5-53.2177.7000108.1S71 W72 D74 L77 I121 R122 L123S71-I129 VanDerWaalsContact CA-O 3.28Å; S71-I129 WeakPolarHBondContact CA-O 3.35Å; W72-I129 HydrophobicContact CD2-CB 4.27Å; W72-I129 HydrophobicContact CH2-CB 4.26Å; W72-I129 HydrophobicContact CH2-CG2 3.76Å; W72-I129 HydrophobicContact CZ2-CB 3.94Å; W72-I129 HydrophobicContact CZ2-CD1 3.79Å; W72-I129 HydrophobicContact CZ2-CG1 4.46Å; W72-I129 HydrophobicContact CZ2-CG2 3.76Å; W72-I129 HydrophobicContact CZ3-CG2 4.29Å; W72-I129 PolarHBondContact N-O 3.4Å; W72-I129 VanDerWaalsContact N-O 3.13Å; W72-I129 PolarHBondContact O-N 3.01Å; D74-I129 HydrophobicContact CB-CD1 4.13Å; L77-I129 HydrophobicContact CD1-CD1 3.69Å; I121-I129 HydrophobicContact CG2-CG2 4.05Å; R122-I129 WeakPolarHBondContact O-CA 3.42Å; L123-I129 HydrophobicContact CD1-CD1 4.44Å; L123-I129 HydrophobicContact CD1-CG1 3.69Å
130L94.9Very high94.5Very high48 Ų4828.7 Ų28.725%0.25114%0.142SC..EExtended strand (participates in β ladder)trans-98.7114.6164.7173.667.1000108.6H69 I121 R122H69-L130 HydrophobicContact CB-CD1 4.39Å; I121-L130 CarbonylContact C-O 3.57Å; I121-L130 WeakPolarHBondContact CA-O 3.39Å; R122-L130 HydrophobicContact CB-CB 4.24Å; R122-L130 PolarHBondContact N-O 3.3Å; R122-L130 PolarHBondContact O-N 2.94Å
131Y95.3Very high94.6Very high15 Ų1525.7 Ų25.76%0.05913%0.127CC..EExtended strand (participates in β ladder)trans-107.7132.8173.5-179.8-122.4000109.9H69 Q70 W72 V93 K119 L120 I121 I133H69-Y131 CarbonylContact C-O 3.57Å; H69-Y131 WeakPolarHBondContact CA-O 3.42Å; Q70-Y131 HydrophobicContact CG-CD1 4.44Å; Q70-Y131 PolarHBondContact N-O 3.45Å; Q70-Y131 PolarHBondContact O-N 2.88Å; W72-Y131 HydrophobicContact CH2-CG 4.36Å; W72-Y131 VanDerWaalsContact CZ3-CB 3.49Å; W72-Y131 HydrophobicContact CZ3-CG 4.39Å; V93-Y131 HydrophobicContact CG1-CE2 4.17Å; V93-Y131 HydrophobicContact CG2-CD2 4.42Å; V93-Y131 HydrophobicContact CG2-CE2 3.73Å; K119-Y131 HydrophobicContact CB-CE2 4.17Å; K119-Y131 HydrophobicContact CG-CE2 4.41Å; L120-Y131 CarbonylContact O-C 3.56Å; L120-Y131 WeakPolarHBondContact O-CA 3.36Å; I121-Y131 HydrophobicContact CG1-CD2 4.05Å; Y131-I133 HydrophobicContact CE1-CB 4.21Å; Y131-I133 HydrophobicContact CE1-CG2 4.1Å; Y131-I133 WeakPolarHBondContact OH-CD1 3.25Å
132S94.4Very high94.6Very high12 Ų1232.5 Ų32.58%0.08416%0.163CC..EExtended strand (participates in β ladder)trans-131.9132.3177.5176.90000109.9L68 H69 K119 L120L68-S132 WeakPolarHBondContact O-CA 3.33Å; H69-S132 PolarHBondContact CE1-OG 3.03Å; H69-S132 VanDerWaalsContact ND1-CB 3.26Å; H69-S132 WeakPolarHBondContact ND1-CB 3.07Å; H69-S132 PolarHBondContact ND1-OG 3.47Å; K119-S132 CarbonylContact C-O 3.6Å; K119-S132 WeakPolarHBondContact CA-O 3.34Å; L120-S132 PolarHBondContact N-O 3.24Å; L120-S132 PolarHBondContact O-N 3.1Å
133I94.2Very high94.5Very high8 Ų827.2 Ų27.24%0.04114%0.144CC..EExtended strand (participates in β ladder)trans-135.1139.4178.8-173.9162.5000111.2F67 L68 F111 K119 Y131 I135F67-I133 CarbonylContact C-O 3.58Å; F67-I133 WeakPolarHBondContact CA-O 3.3Å; L68-I133 HydrophobicContact CB-CG2 4.06Å; L68-I133 PolarHBondContact N-O 3.18Å; L68-I133 PolarHBondContact O-N 3.31Å; F111-I133 HydrophobicContact CD1-CD1 3.32Å; F111-I133 HydrophobicContact CD1-CG1 3.96Å; F111-I133 HydrophobicContact CE1-CD1 3.43Å; F111-I133 VanDerWaalsContact CE1-CD1 3.43Å; F111-I133 HydrophobicContact CE1-CG1 4.29Å; F111-I133 HydrophobicContact CG-CD1 4.2Å; F111-I133 HydrophobicContact CZ-CD1 4.4Å; K119-I133 HydrophobicContact CG-CD1 4.11Å; K119-I133 HydrophobicContact CG-CG1 4.3Å; Y131-I133 HydrophobicContact CE1-CB 4.21Å; Y131-I133 HydrophobicContact CE1-CG2 4.1Å; Y131-I133 WeakPolarHBondContact OH-CD1 3.25Å; I133-I135 HydrophobicContact CG1-CG1 4.21Å; I133-I135 HydrophobicContact CG2-CD1 3.88Å; I133-I135 HydrophobicContact CG2-CG1 4.02Å
134R94.3Very high94.4Very high78 Ų7831.6 Ų31.629%0.29417%0.167SC..EExtended strand (participates in β ladder)trans-89.2123.4171.6-168.7-176.2174.2-174.2-3.9110.3T65 V66 F67 N118T65-R134 HydrophobicContact CG2-CG 4.11Å; V66-R134 WeakPolarHBondContact O-CA 3.4Å; F67-R134 HydrophobicContact CD1-CB 3.7Å; F67-R134 HydrophobicContact CD1-CG 3.87Å; F67-R134 HydrophobicContact CE1-CB 3.65Å; F67-R134 HydrophobicContact CE1-CG 3.57Å; F67-R134 HydrophobicContact CZ-CG 4.16Å; N118-R134 HydrophobicContact CB-CB 3.94Å; N118-R134 PolarHBondContact O-N 2.86Å
135I94.9Very high94.2Very high15 Ų1528.4 Ų28.48%0.07715%0.152CC..EExtended strand (participates in β ladder)trans-126.1132.8-178.1-53.2176.2000108.2T65 V66 L68 I103 A109 F111 I133T65-I135 CarbonylContact C-O 3.54Å; T65-I135 WeakPolarHBondContact CA-O 3.46Å; V66-I135 HydrophobicContact CG2-CB 4.3Å; V66-I135 PolarHBondContact N-O 3.15Å; V66-I135 PolarHBondContact O-N 3.28Å; L68-I135 HydrophobicContact CB-CD1 4.21Å; L68-I135 HydrophobicContact CD2-CD1 4.1Å; I103-I135 HydrophobicContact CD1-CG2 4.23Å; A109-I135 HydrophobicContact CB-CG2 4.41Å; F111-I135 HydrophobicContact CD1-CG1 4.04Å; F111-I135 HydrophobicContact CE1-CD1 4.12Å; F111-I135 HydrophobicContact CE1-CG1 3.93Å; I133-I135 HydrophobicContact CG1-CG1 4.21Å; I133-I135 HydrophobicContact CG2-CD1 3.88Å; I133-I135 HydrophobicContact CG2-CG1 4.02Å
136T96.1Very high94.2Very high3 Ų328.9 Ų28.92%0.01816%0.157CC..EExtended strand (participates in β ladder)trans-106.3125.7160.1-58.70000108.4T63 M64 T65 A109 W110 H112T63-T136 HydrophobicContact CG2-CG2 3.65Å; M64-T136 WeakPolarHBondContact O-CA 3.41Å; T65-T136 WeakPolarHBondContact CG2-OG1 3.33Å; T65-T136 WeakPolarHBondContact OG1-CG2 3.46Å; T65-T136 PolarHBondContact OG1-OG1 3.45Å; A109-T136 CarbonylContact C-O 3.42Å; A109-T136 VanDerWaalsContact CA-O 3.3Å; A109-T136 WeakPolarHBondContact CA-O 3.36Å; W110-T136 HydrophobicContact CD2-CG2 4.42Å; W110-T136 VanDerWaalsContact CE2-CB 3.46Å; W110-T136 HydrophobicContact CH2-CG2 3.35Å; W110-T136 VanDerWaalsContact CZ2-CB 3.49Å; W110-T136 HydrophobicContact CZ2-CG2 3.17Å; W110-T136 HydrophobicContact CZ3-CG2 4.05Å; W110-T136 PolarHBondContact N-O 3.15Å; W110-T136 PolarHBondContact O-N 3.25Å; W110-T136 VanDerWaalsContact O-N 3.1Å; H112-T136 PolarHBondContact CE1-OG1 3.45Å; H112-T136 PolarHBondContact NE2-OG1 3.48Å
137S96.4Very high94.2Very high1 Ų130 Ų301%0.00716%0.158CC..EExtended strand (participates in β ladder)trans-130136.3-178.7-173.90000110.9T63 M64 A106 S108T63-S137 WeakPolarHBondContact CA-O 3.31Å; M64-S137 PolarHBondContact N-O 3.13Å; M64-S137 PolarHBondContact O-N 2.97Å; A106-S137 WeakPolarHBondContact CB-OG 3.19Å; S108-S137 WeakPolarHBondContact O-CA 3.44Å; S108-S137 PolarHBondContact O-OG 2.81Å; S108-S137 VanDerWaalsContact O-OG 3.13Å
138T97.3Very high94.1Very high13 Ų1330.3 Ų30.38%0.0816%0.16CC..EExtended strand (participates in β ladder)trans-92119.1164.3-55.90000108.2E61 Y62 T63 K107 S108E61-T138 HydrophobicContact CB-CG2 4Å; E61-T138 HydrophobicContact CG-CG2 3.84Å; Y62-T138 CarbonylContact O-C 3.51Å; Y62-T138 WeakPolarHBondContact O-CA 3.31Å; T63-T138 PolarHBondContact OG1-OG1 3.19Å; K107-T138 PolarHBondContact N-O 3.12Å; S108-T138 PolarHBondContact N-O 3.48Å; S108-T138 PolarHBondContact O-N 3.44Å; S108-T138 WeakPolarHBondContact OG-CB 3.31Å; S108-T138 PolarHBondContact OG-OG1 2.96Å
139V97.1Very high94Very high0 Ų029.7 Ų29.70%016%0.156CC..EExtended strand (participates in β ladder)trans-119.2137.2-167.1-177.20000109.1E61 Y62 I103 N105 L157E61-V139 CarbonylContact C-O 3.57Å; E61-V139 WeakPolarHBondContact CA-O 3.47Å; E61-V139 WeakPolarHBondContact CB-O 3.37Å; Y62-V139 HydrophobicContact CD1-CB 4.5Å; Y62-V139 HydrophobicContact CD2-CB 4.45Å; Y62-V139 HydrophobicContact CE1-CB 3.89Å; Y62-V139 HydrophobicContact CE1-CG1 3.93Å; Y62-V139 HydrophobicContact CE2-CB 3.79Å; Y62-V139 HydrophobicContact CE2-CG1 4.42Å; Y62-V139 HydrophobicContact CE2-CG2 4.1Å; Y62-V139 PolarHBondContact N-O 3.07Å; Y62-V139 PolarHBondContact O-N 2.91Å; Y62-V139 WeakPolarHBondContact OH-CG1 3.5Å; I103-V139 HydrophobicContact CG2-CG2 4.34Å; N105-V139 HydrophobicContact CB-CG1 4.08Å; N105-V139 WeakPolarHBondContact ND2-CG1 3.32Å; N105-V139 WeakPolarHBondContact O-CA 3.33Å; N105-V139 WeakPolarHBondContact OD1-CG1 3.37Å; V139-L157 HydrophobicContact CG2-CD1 3.83Å
140A96.7Very high93.8Very high30 Ų3031 Ų3125%0.24816%0.162CC..EExtended strand (participates in β ladder)trans-67.8133175.700000110.7N105 K107N105-A140 PolarHBondContact ND2-O 3.28Å; N105-A140 PolarHBondContact O-N 3.4Å; K107-A140 HydrophobicContact CG-CB 4.36Å
141C95.3Very high93.7Very high4 Ų428.9 Ų28.93%0.02715%0.151CC..  trans-142111.3171.9178.40000109M60 Y62 M143 C155M60-C141 CarbonylContact C-O 3.55Å; M60-C141 WeakPolarHBondContact CA-O 3.39Å; M60-C141 WeakPolarHBondContact CB-O 3.33Å; M60-C141 PolarHBondContact O-N 3.32Å; Y62-C141 HydrophobicContact CD1-CB 3.59Å; Y62-C141 HydrophobicContact CE1-CB 3.81Å; C141-M143 HydrophobicContact CB-CE 4.46Å; C141-M143 PolarHBondContact O-N 3.07Å; C141-M143 VanDerWaalsContact O-N 3.1Å; C141-C155 HydrophobicContact CB-CB 3.91Å; C141-C155 WeakPolarHBondContact CB-SG 3.42Å; C141-C155 WeakPolarHBondContact SG-CA 3.29Å; C141-C155 WeakPolarHBondContact SG-CB 3.37Å; C141-C155 CovalentContact SG-SG 2.05Å; C141-C155 PolarHBondContact SG-SG 3.37Å
142D92.3Very high93.6Very high146 Ų14633.1 Ų33.178%0.78117%0.172SC*.  trans-77.195.3178.9-68.8-32000109.9
143M91.8Very high93.6Very high13 Ų1332.8 Ų32.86%0.06417%0.169CC..  trans-84135.3-176.1-61174.4-137.600111.9I55 S56 E57 M60 C141 L145 Q153I55-M143 HydrophobicContact CG2-CE 3.85Å; I55-M143 HydrophobicContact CG2-SD 4.22Å; S56-M143 WeakPolarHBondContact O-CE 3.43Å; E57-M143 HydrophobicContact CG-SD 4.1Å; M60-M143 HydrophobicContact SD-CB 3.89Å; M60-M143 HydrophobicContact SD-CG 4.43Å; C141-M143 HydrophobicContact CB-CE 4.46Å; C141-M143 PolarHBondContact O-N 3.07Å; C141-M143 VanDerWaalsContact O-N 3.1Å; M143-L145 HydrophobicContact CB-CD2 4.24Å; M143-L145 PolarHBondContact O-N 3.31Å; M143-Q153 HydrophobicContact CB-CG 4.22Å; M143-Q153 HydrophobicContact CG-CB 4.49Å; M143-Q153 HydrophobicContact CG-CG 4.13Å
144D91.5Very high93.7Very high96 Ų9636.6 Ų36.651%0.51319%0.186SC..  trans-88105.1169.6-178.918.1000111.3S146 Q153D144-S146 VanDerWaalsContact CG-OG 3.28Å; D144-S146 WeakPolarHBondContact OD1-CB 3.19Å; D144-S146 PolarHBondContact OD1-N 2.6Å; D144-S146 PolarHBondContact OD1-OG 3.12Å; D144-S146 VanDerWaalsContact OD1-OG 3.06Å; D144-S146 PolarHBondContact OD2-OG 2.92Å; D144-Q153 PolarHBondContact O-NE2 2.76Å
145L91Very high93.7Very high6 Ų632.9 Ų32.93%0.03117%0.173CC..  trans-94.313.2-179.1-55.1175.5000113.4E57 M60 M143 K147 Y148 P279E57-L145 HydrophobicContact CB-CD1 4.05Å; E57-L145 HydrophobicContact CB-CD2 4.3Å; E57-L145 HydrophobicContact CG-CD2 4.14Å; M60-L145 HydrophobicContact CE-CD1 4.08Å; M143-L145 HydrophobicContact CB-CD2 4.24Å; M143-L145 PolarHBondContact O-N 3.31Å; L145-K147 VanDerWaalsContact C-N 3.35Å; L145-K147 PolarHBondContact O-N 2.86Å; L145-Y148 HydrophobicContact CD2-CD2 4.5Å; L145-Y148 WeakPolarHBondContact O-CB 3.23Å; L145-Y148 PolarHBondContact O-N 3.02Å; L145-P279 HydrophobicContact CD1-CG 3.63Å
146S90.3Very high93.8Very high41 Ų4136.1 Ų36.129%0.28719%0.188SC..THydrogen-bonded Turntrans-57.1-45.1-179.5650000112.4D144 Y148 K285 A286D144-S146 VanDerWaalsContact CG-OG 3.28Å; D144-S146 WeakPolarHBondContact OD1-CB 3.19Å; D144-S146 PolarHBondContact OD1-N 2.6Å; D144-S146 PolarHBondContact OD1-OG 3.12Å; D144-S146 VanDerWaalsContact OD1-OG 3.06Å; D144-S146 PolarHBondContact OD2-OG 2.92Å; S146-Y148 VanDerWaalsContact C-N 3.34Å; S146-Y148 PolarHBondContact O-N 2.87Å; S146-K285 CarbonylContact O-C 3.58Å; S146-K285 WeakPolarHBondContact O-CA 3.36Å; S146-A286 PolarHBondContact O-N 3.46Å
147K91.6Very high93.7Very high83 Ų8336 Ų3636%0.36119%0.188SC..THydrogen-bonded Turntrans-87.38.8178.5-67.6-164.6178.9-167.80114.4L145 M150 D151 M429L145-K147 VanDerWaalsContact C-N 3.35Å; L145-K147 PolarHBondContact O-N 2.86Å; K147-M150 CarbonylContact O-C 3.51Å; K147-M150 WeakPolarHBondContact O-CA 3.39Å; K147-M150 WeakPolarHBondContact O-CB 3.37Å; K147-M150 PolarHBondContact O-N 3.14Å; K147-D151 HydrophobicContact CB-CB 4.45Å; K147-M429 PolarHBondContact NZ-OXT 3.26Å
148Y91.3Very high93.7Very high8 Ų836.5 Ų36.53%0.03119%0.19CC..THydrogen-bonded Turntrans-53.5133.5-175.7178.1-85.9000113.4L145 S146 Y227 L278 K285 L287L145-Y148 HydrophobicContact CD2-CD2 4.5Å; L145-Y148 WeakPolarHBondContact O-CB 3.23Å; L145-Y148 PolarHBondContact O-N 3.02Å; S146-Y148 VanDerWaalsContact C-N 3.34Å; S146-Y148 PolarHBondContact O-N 2.87Å; Y148-Y227 AromaticContact CZ-CE1 3.9Å; Y148-Y227 WeakPolarHBondContact OH-CD1 3.3Å; Y148-Y227 WeakPolarHBondContact OH-CE1 3.27Å; Y148-L278 HydrophobicContact CD1-CD1 3.8Å; Y148-L278 HydrophobicContact CD2-CD2 4.2Å; Y148-L278 HydrophobicContact CE1-CD1 3.5Å; Y148-L278 HydrophobicContact CE1-CD2 4.31Å; Y148-L278 HydrophobicContact CE1-CG 4.45Å; Y148-L278 HydrophobicContact CE2-CD1 4.38Å; Y148-L278 HydrophobicContact CE2-CD2 3.7Å; Y148-L278 HydrophobicContact CG-CD1 4.37Å; Y148-K285 HydrophobicContact CD1-CD 4.3Å; Y148-K285 HydrophobicContact CG-CD 4.42Å; Y148-L287 HydrophobicContact CD1-CB 4.21Å; Y148-L287 HydrophobicContact CD1-CD2 4.18Å; Y148-L287 HydrophobicContact CE1-CD2 3.82Å; Y148-L287 PolarHBondContact O-N 2.73Å
149P92.1Very high93.7Very high1 Ų136 Ų361%0.00619%0.187CC..THydrogen-bonded Turncis-93.2180.938.3-41.7000115.3D151 R222 Y227 Y232P149-D151 WeakPolarHBondContact CA-OD1 3.37Å; P149-R222 WeakPolarHBondContact O-CD 3.39Å; P149-Y227 HydrophobicContact CB-CD1 4.35Å; P149-Y227 HydrophobicContact CB-CD2 3.83Å; P149-Y227 HydrophobicContact CB-CE2 4.42Å; P149-Y227 HydrophobicContact CB-CG 3.77Å; P149-Y227 HydrophobicContact CG-CD2 4.48Å; P149-Y227 HydrophobicContact CG-CG 4.11Å; P149-Y232 HydrophobicContact CG-CE2 4.14Å
150M92.2Very high93.7Very high29 Ų2936.5 Ų36.514%0.14319%0.189CC..SBendtrans-94.524.3176.2-65140.8-75.500111.5K147 Y232 A286 W424 T428K147-M150 CarbonylContact O-C 3.51Å; K147-M150 WeakPolarHBondContact O-CA 3.39Å; K147-M150 WeakPolarHBondContact O-CB 3.37Å; K147-M150 PolarHBondContact O-N 3.14Å; M150-Y232 VanDerWaalsContact CE-OH 3.25Å; M150-Y232 WeakPolarHBondContact CE-OH 3.28Å; M150-A286 HydrophobicContact CE-CB 4.15Å; M150-W424 HydrophobicContact SD-CE3 4.21Å; M150-W424 HydrophobicContact SD-CZ3 3.74Å; M150-T428 HydrophobicContact CG-CG2 4.23Å; M150-T428 HydrophobicContact SD-CG2 3.71Å
151D92.1Very high93.6Very high4 Ų435.1 Ų35.12%0.02118%0.178CC..  trans-80.6150.8-176.456.2-58.1000112.9K147 P149 Q153 R222K147-D151 HydrophobicContact CB-CB 4.45Å; P149-D151 WeakPolarHBondContact CA-OD1 3.37Å; D151-Q153 PolarHBondContact OD2-NE2 3.07Å; D151-R222 PolarHBondContact O-N 3.31Å; D151-R222 WeakPolarHBondContact OD1-CD 3.39Å; D151-R222 IonicContact OD1-CZ 3.77Å; D151-R222 IonicContact OD1-NE 2.68Å; D151-R222 PolarHBondContact OD1-NE 3.46Å; D151-R222 IonicContact OD2-CZ 3.17Å; D151-R222 IonicContact OD2-NE 2.71Å; D151-R222 PolarHBondContact OD2-NE 3.48Å; D151-R222 IonicContact OD2-NH2 3.74Å; D151-R222 PolarHBondContact OD2-NH2 3.48Å
152E93.3Very high93.4Very high104 Ų10443.7 Ų43.749%0.48621%0.211SC..EExtended strand (participates in β ladder)trans-121.4137167.4-65.6-174.5177.500107.9L220 R221E152-L220 WeakPolarHBondContact CA-O 3.36Å; E152-R221 HydrophobicContact CG-CB 4.4Å; E152-R221 HydrophobicContact CG-CG 4.28Å; E152-R221 IonicContact OE1-CZ 3.42Å; E152-R221 IonicContact OE1-NE 2.72Å; E152-R221 PolarHBondContact OE1-NE 2.95Å; E152-R221 IonicContact OE1-NH2 2.76Å; E152-R221 PolarHBondContact OE1-NH2 3.46Å; E152-R221 IonicContact OE2-NH2 3.79Å
153Q94.3Very high93.3Very high6 Ų639.1 Ų39.13%0.02820%0.199CC..EExtended strand (participates in β ladder)trans-118.2140.8-177.2-52-56.6-25.300109.7M143 D144 D151 H219 L220M143-Q153 HydrophobicContact CB-CG 4.22Å; M143-Q153 HydrophobicContact CG-CB 4.49Å; M143-Q153 HydrophobicContact CG-CG 4.13Å; D144-Q153 PolarHBondContact O-NE2 2.76Å; D151-Q153 PolarHBondContact OD2-NE2 3.07Å; Q153-H219 CarbonylContact O-C 3.6Å; Q153-H219 WeakPolarHBondContact O-CA 3.48Å; Q153-L220 HydrophobicContact CB-CB 4.33Å; Q153-L220 PolarHBondContact N-O 3.04Å; Q153-L220 PolarHBondContact O-N 3.16Å
154E94.9Very high93.4Very high87 Ų8741 Ų4141%0.40721%0.205SC..EExtended strand (participates in β ladder)trans-108.7114.6166.9-173.9175.6176.600107.6R197 H217 H219E154-R197 IonicContact OE1-CZ 3.31Å; E154-R197 IonicContact OE1-NE 3.73Å; E154-R197 IonicContact OE1-NH2 3.68Å; E154-R197 PolarHBondContact OE1-NH2 2.69Å; E154-H217 IonicContact OE1-CE1 3.39Å; E154-H217 IonicContact OE1-CG 2.96Å; E154-H217 IonicContact OE1-ND1 3.19Å; E154-H217 PolarHBondContact OE1-ND1 3.48Å; E154-H219 IonicContact OE2-CE1 2.76Å; E154-H219 PolarHBondContact OE2-CE1 3.09Å
155C95.6Very high93.5Very high1 Ų137.2 Ų37.21%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-110.1149.4174.1-67.50000109.5Y62 C141 H217 F218Y62-C155 HydrophobicContact CD1-CB 4Å; Y62-C155 HydrophobicContact CE1-CB 3.68Å; C141-C155 HydrophobicContact CB-CB 3.91Å; C141-C155 WeakPolarHBondContact CB-SG 3.42Å; C141-C155 WeakPolarHBondContact SG-CA 3.29Å; C141-C155 WeakPolarHBondContact SG-CB 3.37Å; C141-C155 CovalentContact SG-SG 2.05Å; C141-C155 PolarHBondContact SG-SG 3.37Å; C155-H217 WeakPolarHBondContact O-CA 3.38Å; C155-F218 HydrophobicContact CB-CD2 4.38Å; C155-F218 HydrophobicContact CB-CE1 4.02Å; C155-F218 HydrophobicContact CB-CE2 3.72Å; C155-F218 HydrophobicContact CB-CZ 3.51Å; C155-F218 PolarHBondContact N-O 3.02Å; C155-F218 WeakPolarHBondContact O-CD1 3.35Å; C155-F218 PolarHBondContact O-N 3.5Å
156M95.6Very high93.6Very high82 Ų8238.1 Ų38.140%0.40419%0.193SC..EExtended strand (participates in β ladder)trans-124.6148.3179.660.2-154.1157.600111.5Y62 N105 L216Y62-M156 PolarHBondContact OH-O 3.26Å; N105-M156 PolarHBondContact ND2-O 3.07Å; M156-L216 CarbonylContact C-O 3.53Å; M156-L216 VanDerWaalsContact CA-O 3.23Å; M156-L216 WeakPolarHBondContact CA-O 3.4Å
157L95.9Very high93.7Very high2 Ų243.4 Ų43.41%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-115.9113.8165.8176.375.8000107.3I47 M64 I103 V139 S215 L216I47-L157 HydrophobicContact CD1-CD2 3.88Å; M64-L157 HydrophobicContact CE-CB 4.39Å; M64-L157 HydrophobicContact SD-CB 4.47Å; M64-L157 HydrophobicContact SD-CD1 4.18Å; M64-L157 HydrophobicContact SD-CD2 3.81Å; M64-L157 HydrophobicContact SD-CG 4.39Å; I103-L157 HydrophobicContact CD1-CD1 4.27Å; I103-L157 HydrophobicContact CG1-CD1 4.36Å; I103-L157 HydrophobicContact CG2-CD1 3.61Å; V139-L157 HydrophobicContact CG2-CD1 3.83Å; L157-S215 WeakPolarHBondContact O-CA 3.27Å; L157-L216 HydrophobicContact CB-CB 4.31Å; L157-L216 PolarHBondContact N-O 2.92Å; L157-L216 PolarHBondContact O-N 3.46Å
158D96.5Very high93.8Very high10 Ų1041.9 Ų41.95%0.05321%0.209CC..EExtended strand (participates in β ladder)trans-104.5127.7-173.8-65.8-24.7000110.6I103 V104 N105 R213 S215I103-D158 CarbonylContact C-O 3.19Å; I103-D158 VanDerWaalsContact CA-O 3.27Å; I103-D158 WeakPolarHBondContact CA-O 3.3Å; V104-D158 HydrophobicContact CB-CB 3.9Å; V104-D158 HydrophobicContact CG2-CB 4.17Å; V104-D158 PolarHBondContact N-O 3.35Å; N105-D158 PolarHBondContact OD1-N 3.43Å; D158-R213 HydrophobicContact CB-CG 4.38Å; D158-S215 VanDerWaalsContact OD1-CB 3.24Å; D158-S215 WeakPolarHBondContact OD1-CB 3.29Å; D158-S215 PolarHBondContact OD1-OG 3.44Å
159L96.6Very high93.9Very high4 Ų441.6 Ų41.62%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-115.3134.1175.4-62.2174.9000110L45 I47 L68 T101 F102 I103 R213 L214L45-L159 HydrophobicContact CD1-CB 4.26Å; L45-L159 HydrophobicContact CD1-CD1 3.86Å; I47-L159 HydrophobicContact CD1-CD1 3.61Å; I47-L159 HydrophobicContact CG1-CD1 4.2Å; L68-L159 HydrophobicContact CD1-CD1 3.76Å; T101-L159 HydrophobicContact CG2-CB 4.24Å; T101-L159 HydrophobicContact CG2-CD2 4.24Å; F102-L159 WeakPolarHBondContact O-CA 3.48Å; I103-L159 HydrophobicContact CB-CD2 4.5Å; I103-L159 HydrophobicContact CG1-CD2 3.66Å; L159-R213 WeakPolarHBondContact O-CA 3.08Å; L159-L214 HydrophobicContact CB-CB 4.32Å; L159-L214 PolarHBondContact N-O 3.35Å; L159-L214 PolarHBondContact O-N 3.48Å
160E95.8Very high94Very high9 Ų943.9 Ų43.94%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-148.9169.3179.5-166.1173.4107.200110.1T101 F102 V104 F205 F211 R213T101-E160 WeakPolarHBondContact CA-O 3.45Å; F102-E160 WeakPolarHBondContact CD1-O 3.36Å; F102-E160 HydrophobicContact CE1-CB 3.85Å; F102-E160 HydrophobicContact CE1-CG 4.39Å; F102-E160 HydrophobicContact CZ-CB 4.35Å; F102-E160 PolarHBondContact N-O 3.45Å; F102-E160 PolarHBondContact O-N 3.28Å; F102-E160 VanDerWaalsContact O-N 3.1Å; V104-E160 HydrophobicContact CG2-CB 3.45Å; V104-E160 VanDerWaalsContact CG2-CB 3.45Å; E160-F205 WeakPolarHBondContact OE1-CE2 3.49Å; E160-F211 HydrophobicContact CG-CB 4.01Å; E160-R213 IonicContact OE1-NH2 2.73Å; E160-R213 IonicContact OE2-CZ 2.89Å; E160-R213 IonicContact OE2-NE 3.7Å; E160-R213 PolarHBondContact OE2-NE 3.48Å; E160-R213 IonicContact OE2-NH2 3.12Å; E160-R213 PolarHBondContact OE2-NH2 2.94Å
161S94.9Very high94.2Very high2 Ų242.8 Ų42.81%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-88.6136.9171.8170.40000108.8D100 F102 Y164D100-S161 VanDerWaalsContact CG-OG 3.23Å; D100-S161 WeakPolarHBondContact OD1-CB 3.21Å; D100-S161 PolarHBondContact OD1-OG 3.26Å; D100-S161 PolarHBondContact OD2-OG 2.85Å; F102-S161 WeakPolarHBondContact CE1-O 3.11Å; S161-Y164 VanDerWaalsContact CB-O 3.24Å; S161-Y164 WeakPolarHBondContact CB-O 3.44Å; S161-Y164 WeakPolarHBondContact OG-CA 3.24Å; S161-Y164 VanDerWaalsContact OG-CB 3.32Å; S161-Y164 WeakPolarHBondContact OG-CB 3.46Å; S161-Y164 PolarHBondContact OG-N 3.41Å; S161-Y164 PolarHBondContact OG-O 2.97Å; S161-Y164 VanDerWaalsContact OG-O 3.06Å
162Y91.6Very high94.3Very high183 Ų18346 Ų4672%0.71823%0.231SC*.SBendtrans-73.6-39.3-179.9-169.9-97.1000113.1D100 F102D100-Y162 PolarHBondContact O-N 2.97Å; D100-Y162 PolarHBondContact OD2-N 3.28Å; F102-Y162 HydrophobicContact CD1-CD2 4.16Å; F102-Y162 HydrophobicContact CD2-CD2 4.47Å; F102-Y162 HydrophobicContact CE1-CD2 4.16Å; F102-Y162 HydrophobicContact CE2-CD2 4.43Å; F102-Y162 HydrophobicContact CG-CD2 4.34Å; F102-Y162 HydrophobicContact CZ-CD2 4.29Å
163G91.3Very high94.3Very high51 Ų5142.7 Ų42.753%0.52621%0.214SC..SBendtrans-132.8-14.3-170.400000115.4D100D100-G163 WeakPolarHBondContact OD2-CA 3.36Å; D100-G163 PolarHBondContact OD2-N 2.93Å
164Y92.6Very high94.1Very high51 Ų5144 Ų4420%0.223%0.225CC..  trans-96.2118.6176.8-62-69.1000111R33 W97 D100 S161 D168 I169 F211R33-Y164 HydrophobicContact CB-CE1 4.4Å; W97-Y164 HydrophobicContact CZ2-CD2 4.5Å; W97-Y164 AromaticContact CZ2-CE2 3.87Å; W97-Y164 HydrophobicContact CZ2-CE2 3.87Å; W97-Y164 AromaticContact NE1-CZ 3.86Å; W97-Y164 PolarHBondContact NE1-OH 3.33Å; D100-Y164 HydrophobicContact CB-CD2 4.45Å; D100-Y164 HydrophobicContact CB-CE2 4.42Å; D100-Y164 VanDerWaalsContact CG-CD2 3.49Å; D100-Y164 WeakPolarHBondContact OD1-CD2 3.44Å; D100-Y164 WeakPolarHBondContact OD2-CD2 3.42Å; S161-Y164 VanDerWaalsContact CB-O 3.24Å; S161-Y164 WeakPolarHBondContact CB-O 3.44Å; S161-Y164 WeakPolarHBondContact OG-CA 3.24Å; S161-Y164 VanDerWaalsContact OG-CB 3.32Å; S161-Y164 WeakPolarHBondContact OG-CB 3.46Å; S161-Y164 PolarHBondContact OG-N 3.41Å; S161-Y164 PolarHBondContact OG-O 2.97Å; S161-Y164 VanDerWaalsContact OG-O 3.06Å; Y164-D168 HydrophobicContact CD1-CB 3.69Å; Y164-D168 HydrophobicContact CG-CB 4.15Å; Y164-I169 HydrophobicContact CD2-CD1 3.32Å; Y164-I169 HydrophobicContact CD2-CG1 4.19Å; Y164-I169 HydrophobicContact CE2-CD1 4.05Å; Y164-I169 HydrophobicContact CG-CD1 3.62Å; Y164-I169 HydrophobicContact CG-CG1 3.97Å; Y164-F211 VanDerWaalsContact C-CE1 3.46Å; Y164-F211 VanDerWaalsContact O-CD1 3.24Å; Y164-F211 WeakPolarHBondContact O-CD1 3.43Å; Y164-F211 WeakPolarHBondContact O-CE1 3.44Å
165S93.8Very high93.3Very high17 Ų1748 Ų4812%0.11924%0.243CC..  trans-73.3174.9172.677.80000111.2E167 D168 I169S165-E167 PolarHBondContact O-N 3.49Å; S165-E167 PolarHBondContact OG-N 3.42Å; S165-D168 PolarHBondContact O-N 2.81Å; S165-I169 PolarHBondContact O-N 3.03Å
166S93.1Very high92.2Very high25 Ų2554.8 Ų54.818%0.17528%0.279CS..THydrogen-bonded Turntrans-56.7-17.6172.754.80000114.7D168 I169 Q210S166-D168 VanDerWaalsContact C-N 3.3Å; S166-I169 WeakPolarHBondContact CA-O 3.3Å; S166-Q210 WeakPolarHBondContact CB-O 3.31Å; S166-Q210 PolarHBondContact N-O 3.37Å; S166-Q210 PolarHBondContact OG-O 3.13Å
167E92.3Very high90.9Very high153 Ų15351.5 Ų51.572%0.71526%0.263SS*.THydrogen-bonded Turntrans-74.3-23.1172.7-60.4-176.3178.200112.6R33 S165R33-E167 PolarHBondContact NH2-O 2.91Å; S165-E167 PolarHBondContact O-N 3.49Å; S165-E167 PolarHBondContact OG-N 3.42Å
168D93.3Very high89.1Confident51 Ų5159.7 Ų59.727%0.27330%0.301SS..THydrogen-bonded Turntrans-107-40.5-175-74.8-48.4000113.5R33 P40 V41 Y164 S165 S166R33-D168 IonicContact CZ-OD1 2.8Å; R33-D168 VanDerWaalsContact CZ-OD1 3.27Å; R33-D168 IonicContact NE-OD1 2.77Å; R33-D168 PolarHBondContact NE-OD1 2.93Å; R33-D168 PolarHBondContact NH1-O 3.5Å; R33-D168 IonicContact NH2-OD1 2.95Å; R33-D168 PolarHBondContact NH2-OD1 2.96Å; P40-D168 CarbonylContact C-O 3.6Å; P40-D168 VanDerWaalsContact CA-O 3.3Å; P40-D168 WeakPolarHBondContact CA-O 3.34Å; V41-D168 PolarHBondContact N-O 3.43Å; Y164-D168 HydrophobicContact CD1-CB 3.69Å; Y164-D168 HydrophobicContact CG-CB 4.15Å; S165-D168 PolarHBondContact O-N 2.81Å; S166-D168 VanDerWaalsContact C-N 3.3Å
169I94.1Very high87.2Confident1 Ų165.2 Ų65.21%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-137.5135.3-179.4-64.4-176.5000110V41 V43 W97 P99 Y164 S165 S166 Y171V41-I169 WeakPolarHBondContact O-CA 3.37Å; V43-I169 HydrophobicContact CB-CG2 4.33Å; V43-I169 HydrophobicContact CG2-CG2 3.78Å; W97-I169 HydrophobicContact CH2-CD1 3.74Å; W97-I169 HydrophobicContact CH2-CG1 4.48Å; W97-I169 HydrophobicContact CZ2-CD1 3.88Å; P99-I169 HydrophobicContact CB-CD1 4.36Å; Y164-I169 HydrophobicContact CD2-CD1 3.32Å; Y164-I169 HydrophobicContact CD2-CG1 4.19Å; Y164-I169 HydrophobicContact CE2-CD1 4.05Å; Y164-I169 HydrophobicContact CG-CD1 3.62Å; Y164-I169 HydrophobicContact CG-CG1 3.97Å; S165-I169 PolarHBondContact O-N 3.03Å; S166-I169 WeakPolarHBondContact CA-O 3.3Å; I169-Y171 HydrophobicContact CG2-CD1 4Å; I169-Y171 HydrophobicContact CG2-CE1 3.7Å; I169-Y171 HydrophobicContact CG2-CE2 4.27Å; I169-Y171 HydrophobicContact CG2-CG 4.33Å
170V94.6Very high85.6Confident50 Ų5065 Ų6530%0.30333%0.326SS..EExtended strand (participates in β ladder)trans-113.7114.4169.2175.70000108.6P40 V41 V43P40-V170 HydrophobicContact CB-CG2 3.88Å; P40-V170 HydrophobicContact CG-CG2 3.8Å; V41-V170 PolarHBondContact O-N 3.48Å; V43-V170 PolarHBondContact N-O 3.47Å
171Y95.3Very high84.2Confident5 Ų570.4 Ų70.42%0.0235%0.35CS..EExtended strand (participates in β ladder)trans-87.2137.8172.5-73.5-47.2000111.6V43 L45 P99 T101 I169 P212 L214V43-Y171 HydrophobicContact CB-CD1 3.63Å; V43-Y171 HydrophobicContact CB-CE1 3.63Å; V43-Y171 HydrophobicContact CG1-CD1 3.92Å; V43-Y171 HydrophobicContact CG1-CE1 3.69Å; V43-Y171 HydrophobicContact CG2-CD1 4.47Å; V43-Y171 HydrophobicContact CG2-CE1 4.12Å; V43-Y171 WeakPolarHBondContact O-CA 3.37Å; L45-Y171 HydrophobicContact CD1-CD1 4.13Å; L45-Y171 HydrophobicContact CD1-CG 4.45Å; L45-Y171 HydrophobicContact CD2-CD1 4.42Å; L45-Y171 HydrophobicContact CG-CD1 4.14Å; P99-Y171 HydrophobicContact CB-CE1 4.36Å; T101-Y171 PolarHBondContact OG1-OH 3.24Å; I169-Y171 HydrophobicContact CG2-CD1 4Å; I169-Y171 HydrophobicContact CG2-CE1 3.7Å; I169-Y171 HydrophobicContact CG2-CE2 4.27Å; I169-Y171 HydrophobicContact CG2-CG 4.33Å; Y171-P212 HydrophobicContact CD2-CG 4.2Å; Y171-L214 HydrophobicContact CG-CD1 4.25Å
172H94.2Very high83Confident72 Ų7271 Ų7133%0.33336%0.358SS..EExtended strand (participates in β ladder)trans-145.1156.6171.365.592.5000110.6V43 A44 L45V43-H172 PolarHBondContact O-N 3.33Å; A44-H172 CarbonylContact C-O 3.46Å; A44-H172 WeakPolarHBondContact CA-O 3.16Å; A44-H172 WeakPolarHBondContact CB-CE1 3.37Å; L45-H172 PolarHBondContact N-O 3.03Å
173W93.3Very high82.4Confident34 Ų3462.5 Ų62.513%0.12932%0.324CS..EExtended strand (participates in β ladder)trans-68.1140.9169.8-64.4111.1000109.9L45 I47 Q177 F198 T199 L214 L216L45-W173 HydrophobicContact CB-CE3 4.48Å; I47-W173 HydrophobicContact CD1-CH2 3.57Å; I47-W173 HydrophobicContact CD1-CZ3 3.66Å; I47-W173 HydrophobicContact CG1-CH2 4.35Å; I47-W173 HydrophobicContact CG1-CZ3 3.92Å; W173-Q177 HydrophobicContact CE3-CG 3.93Å; W173-F198 HydrophobicContact CD2-CB 4.24Å; W173-F198 AromaticContact CD2-CD1 3.79Å; W173-F198 HydrophobicContact CD2-CD1 3.79Å; W173-F198 HydrophobicContact CD2-CE1 4.43Å; W173-F198 HydrophobicContact CD2-CG 4.28Å; W173-F198 AromaticContact CE2-CD1 3.61Å; W173-F198 AromaticContact CE3-CD1 3.94Å; W173-F198 HydrophobicContact CE3-CD1 3.94Å; W173-F198 HydrophobicContact CE3-CE1 4.13Å; W173-F198 HydrophobicContact CG-CB 4.21Å; W173-F198 AromaticContact CH2-CD1 3.75Å; W173-F198 HydrophobicContact CH2-CD1 3.75Å; W173-F198 HydrophobicContact CH2-CE1 4.03Å; W173-F198 HydrophobicContact CZ2-CB 4.45Å; W173-F198 AromaticContact CZ2-CD1 3.59Å; W173-F198 HydrophobicContact CZ2-CD1 3.59Å; W173-F198 HydrophobicContact CZ2-CE1 4.34Å; W173-F198 HydrophobicContact CZ2-CG 4.49Å; W173-F198 AromaticContact CZ3-CD1 3.92Å; W173-F198 HydrophobicContact CZ3-CD1 3.92Å; W173-F198 AromaticContact CZ3-CE1 3.92Å; W173-F198 HydrophobicContact CZ3-CE1 3.92Å; W173-T199 PolarHBondContact NE1-O 3.39Å; W173-L214 VanDerWaalsContact CD1-CD2 3.43Å; W173-L214 HydrophobicContact CD2-CD2 3.85Å; W173-L214 HydrophobicContact CG-CD2 3.81Å; W173-L214 HydrophobicContact CH2-CB 4.14Å; W173-L214 HydrophobicContact CZ2-CB 3.61Å; W173-L214 HydrophobicContact CZ2-CD2 4.22Å; W173-L214 HydrophobicContact CZ2-CG 4.45Å; W173-L216 HydrophobicContact CH2-CB 4.46Å
174S90.3Very high81.6Confident35 Ų3565.3 Ų65.325%0.24533%0.327CS..  trans-62.5144.3173.2-178.40000110.3L45 N176 Q177L45-S174 PolarHBondContact O-N 3.18Å; S174-N176 PolarHBondContact O-N 3.12Å; S174-Q177 WeakPolarHBondContact O-CB 3.17Å; S174-Q177 PolarHBondContact O-N 3.07Å
175E79.1Confident80.8Confident171 Ų17171.6 Ų71.680%0.79936%0.356SS*.G310 helixtrans-60.8-29.9177.6-64.4179.2177.800112Q177E175-Q177 PolarHBondContact O-N 3.5Å
176N71.9Confident80.3Confident142 Ų14272.9 Ų72.976%0.75936%0.361SS*.G310 helixtrans-78.51.2176.2-63.1-21000113.4S174 E178S174-N176 PolarHBondContact O-N 3.12Å; N176-E178 VanDerWaalsContact C-N 3.34Å
177Q68.8Low79.7Confident14 Ų1480.9 Ų80.97%0.06540%0.396CS..G310 helixtrans-88.22.1-176.6-166.959.916.500112.9A46 I47 W173 S174 E175 E179 F198A46-Q177 VanDerWaalsContact CA-OE1 3.27Å; I47-Q177 PolarHBondContact O-NE2 3.36Å; W173-Q177 HydrophobicContact CE3-CG 3.93Å; S174-Q177 WeakPolarHBondContact O-CB 3.17Å; S174-Q177 PolarHBondContact O-N 3.07Å; E175-Q177 PolarHBondContact O-N 3.5Å; Q177-E179 PolarHBondContact O-N 2.99Å; Q177-F198 HydrophobicContact CG-CE1 3.97Å; Q177-F198 HydrophobicContact CG-CE2 4.12Å; Q177-F198 HydrophobicContact CG-CZ 3.65Å; Q177-F198 WeakPolarHBondContact O-CE2 3.5Å
178E57.8Low79.4Confident173 Ų17375.2 Ų75.281%0.80837%0.37SS*.SBendtrans-57-21.1-179-70.6-170.4169.400113.4N176N176-E178 VanDerWaalsContact C-N 3.34Å
179E57.2Low78.9Confident126 Ų12677.7 Ų77.759%0.58940%0.398SS*.SBendtrans-121.8128.1168.6-66.1-179.5177.500110.3Q177 H181Q177-E179 PolarHBondContact O-N 2.99Å; E179-H181 PolarHBondContact O-N 2.94Å
180I61.9Low78.5Confident1 Ų182.2 Ų82.21%0.00542%0.419CS..  trans-72.3106.2168.8-63.6165.2000107.8V49 G182 L183 Y196 F198 L216V49-I180 HydrophobicContact CB-CG2 4.39Å; V49-I180 HydrophobicContact CG2-CG2 3.84Å; I180-G182 PolarHBondContact O-N 3.33Å; I180-L183 HydrophobicContact CB-CB 3.99Å; I180-L183 HydrophobicContact CD1-CB 4.41Å; I180-L183 HydrophobicContact CD1-CD2 3.64Å; I180-L183 HydrophobicContact CG2-CB 3.57Å; I180-Y196 HydrophobicContact CB-CE2 4.05Å; I180-Y196 HydrophobicContact CD1-CD1 4.46Å; I180-Y196 HydrophobicContact CD1-CD2 3.26Å; I180-Y196 HydrophobicContact CD1-CE2 3.63Å; I180-Y196 HydrophobicContact CD1-CG 3.72Å; I180-Y196 HydrophobicContact CG1-CD2 3.88Å; I180-Y196 HydrophobicContact CG1-CE2 3.7Å; I180-Y196 PolarHBondContact N-OH 3.28Å; I180-F198 HydrophobicContact CB-CZ 4.47Å; I180-F198 HydrophobicContact CD1-CE1 4.19Å; I180-F198 HydrophobicContact CD1-CE2 4.1Å; I180-F198 HydrophobicContact CD1-CZ 3.65Å; I180-F198 HydrophobicContact CG1-CE1 4.02Å; I180-F198 HydrophobicContact CG1-CE2 3.62Å; I180-F198 HydrophobicContact CG1-CZ 3.11Å; I180-L216 HydrophobicContact CD1-CD1 3.31Å; I180-L216 HydrophobicContact CD1-CD2 4.01Å; I180-L216 HydrophobicContact CD1-CG 4.31Å; I180-L216 HydrophobicContact CG1-CD1 4.49Å
181H66.5Low78.4Confident121 Ų12180.1 Ų80.156%0.5641%0.406SS*.THydrogen-bonded Turntrans-61.8126.6163.4-64.8-39.4000109.3E48 V49 E179E48-H181 HydrophobicContact CG-CB 4.15Å; E48-H181 WeakPolarHBondContact CG-O 3.41Å; V49-H181 PolarHBondContact N-O 3.22Å; E179-H181 PolarHBondContact O-N 2.94Å
182G70.3Confident78.2Confident16 Ų1683.8 Ų83.817%0.16543%0.429CS..THydrogen-bonded Turntrans109.2-52.2177.600000114V49 I180 D184 K185 L186V49-G182 WeakPolarHBondContact O-CA 3.47Å; I180-G182 PolarHBondContact O-N 3.33Å; G182-D184 VanDerWaalsContact C-N 3.32Å; G182-D184 PolarHBondContact O-N 2.81Å; G182-K185 PolarHBondContact O-N 3.38Å; G182-L186 WeakPolarHBondContact O-CG 3.38Å; G182-L186 PolarHBondContact O-N 3.49Å
183L78.3Confident78Confident4 Ų482 Ų822%0.02142%0.421CS..G310 helixtrans-60.2-39.1-171.2-164.869.9000112.9V49 I52 I180 K185 L186 I193 Y196 F218V49-L183 HydrophobicContact CB-CD1 4.37Å; V49-L183 HydrophobicContact CG1-CD1 4.23Å; V49-L183 HydrophobicContact CG2-CD1 4.33Å; I52-L183 HydrophobicContact CD1-CD1 4.08Å; I180-L183 HydrophobicContact CB-CB 3.99Å; I180-L183 HydrophobicContact CD1-CB 4.41Å; I180-L183 HydrophobicContact CD1-CD2 3.64Å; I180-L183 HydrophobicContact CG2-CB 3.57Å; L183-K185 PolarHBondContact O-N 3.45Å; L183-L186 HydrophobicContact CD1-CD1 4.09Å; L183-L186 PolarHBondContact O-N 3.31Å; L183-I193 HydrophobicContact CD1-CD1 3.49Å; L183-I193 VanDerWaalsContact CD1-CD1 3.49Å; L183-I193 HydrophobicContact CD1-CG1 4.34Å; L183-I193 HydrophobicContact CD2-CG2 4.11Å; L183-I193 HydrophobicContact CG-CD1 3.94Å; L183-I193 HydrophobicContact CG-CG2 4.14Å; L183-Y196 HydrophobicContact CD2-CD1 3.64Å; L183-Y196 HydrophobicContact CD2-CE1 4.33Å; L183-Y196 HydrophobicContact CD2-CG 3.74Å; L183-F218 HydrophobicContact CD2-CB 4.28Å
184D74.5Confident77.9Confident110 Ų11083 Ų8359%0.58843%0.431SS*.G310 helixtrans-66.7-19.9177.1-67.7-42.6000114.3G182 Y196G182-D184 VanDerWaalsContact C-N 3.32Å; G182-D184 PolarHBondContact O-N 2.81Å; D184-Y196 WeakPolarHBondContact OD1-CE1 3.41Å; D184-Y196 PolarHBondContact OD2-OH 3.25Å
185K76.3Confident77.9Confident183 Ų18385.8 Ų85.880%0.79644%0.443SS*.G310 helixtrans-98.7-8-179.7-62.2177.9-175.8171.20112.4G182 L183 Q187G182-K185 PolarHBondContact O-N 3.38Å; L183-K185 PolarHBondContact O-N 3.45Å; K185-Q187 PolarHBondContact O-N 3Å
186L83.9Confident78.5Confident44 Ų4479.7 Ų79.723%0.2341%0.413CS..  trans-75.2127.4-176.4-71.3177.3000111.3V49 I52 G182 L183 I193V49-L186 HydrophobicContact CB-CD1 4.29Å; V49-L186 HydrophobicContact CG1-CD1 3.62Å; I52-L186 HydrophobicContact CG1-CD1 4.4Å; G182-L186 WeakPolarHBondContact O-CG 3.38Å; G182-L186 PolarHBondContact O-N 3.49Å; L183-L186 HydrophobicContact CD1-CD1 4.09Å; L183-L186 PolarHBondContact O-N 3.31Å; L186-I193 HydrophobicContact CB-CD1 4.24Å
187Q79.9Confident79.4Confident193 Ų19378 Ų7890%0.90240%0.396SS*.  trans-106.8112.1169.3-65.5-163.1-7.600109.3K185K185-Q187 PolarHBondContact O-N 3Å
188L86.1Confident80.5Confident34 Ų3479.6 Ų79.618%0.17840%0.403CS..  trans-91.4145.5175.1-58.9166.2000109.6I52 F191 I193 L220I52-L188 HydrophobicContact CB-CD2 3.67Å; I52-L188 HydrophobicContact CG2-CD2 4.04Å; I52-L188 VanDerWaalsContact O-CD2 3.25Å; I52-L188 WeakPolarHBondContact O-CD2 3.01Å; L188-F191 HydrophobicContact CB-CB 4.34Å; L188-F191 WeakPolarHBondContact CB-O 3.48Å; L188-F191 HydrophobicContact CD1-CB 4.08Å; L188-I193 HydrophobicContact CD1-CD1 3.92Å; L188-I193 HydrophobicContact CD1-CG1 3.94Å; L188-L220 HydrophobicContact CD1-CD2 3.87Å
189A81.8Confident82.2Confident103 Ų10372.5 Ų72.585%0.85137%0.371SS*.SBendtrans-68.3-37.8-177.300000113
190Q87Confident83.9Confident96 Ų9670.2 Ų70.245%0.44937%0.366SS..SBendtrans-112.8-16.2-172.1-68.2177.7-22.800114N223Q190-N223 PolarHBondContact O-N 3.22Å
191F91.4Very high85.4Confident6 Ų674.8 Ų74.83%0.02639%0.388CS..EExtended strand (participates in β ladder)trans-129.4166.7-172.7-66-90.2000111.1I55 L188 L220 R221 R222I55-F191 HydrophobicContact CB-CE2 4.09Å; I55-F191 HydrophobicContact CD1-CB 4.48Å; I55-F191 HydrophobicContact CD1-CD2 3.45Å; I55-F191 VanDerWaalsContact CD1-CD2 3.45Å; I55-F191 HydrophobicContact CD1-CE2 3.82Å; I55-F191 HydrophobicContact CD1-CG 4.07Å; I55-F191 HydrophobicContact CG2-CE2 3.89Å; I55-F191 HydrophobicContact CG2-CZ 4.12Å; L188-F191 HydrophobicContact CB-CB 4.34Å; L188-F191 WeakPolarHBondContact CB-O 3.48Å; L188-F191 HydrophobicContact CD1-CB 4.08Å; F191-L220 HydrophobicContact CB-CB 4.49Å; F191-L220 HydrophobicContact CB-CD2 4.33Å; F191-L220 HydrophobicContact CD1-CB 4.02Å; F191-R221 CarbonylContact C-O 3.52Å; F191-R221 VanDerWaalsContact CA-O 3.31Å; F191-R221 WeakPolarHBondContact CA-O 3.25Å; F191-R222 HydrophobicContact CD1-CB 4.08Å; F191-R222 HydrophobicContact CE1-CB 3.93Å; F191-R222 HydrophobicContact CE1-CG 4.22Å; F191-R222 VanDerWaalsContact CZ-CZ 3.45Å
192T91.5Very high86.7Confident82 Ų8273.5 Ų73.550%0.50338%0.383SS..EExtended strand (participates in β ladder)trans-133.3130.7171-54.50000107.5R221T192-R221 PolarHBondContact N-O 3.42Å; T192-R221 PolarHBondContact O-N 3.3Å
193I91.1Very high87.8Confident33 Ų3375.1 Ų75.117%0.16939%0.387CS..EExtended strand (participates in β ladder)trans-77.3126.8174.2-61.3145.8000107.2I52 L183 L186 L188 H219 L220I52-I193 HydrophobicContact CD1-CD1 4.28Å; L183-I193 HydrophobicContact CD1-CD1 3.49Å; L183-I193 VanDerWaalsContact CD1-CD1 3.49Å; L183-I193 HydrophobicContact CD1-CG1 4.34Å; L183-I193 HydrophobicContact CD2-CG2 4.11Å; L183-I193 HydrophobicContact CG-CD1 3.94Å; L183-I193 HydrophobicContact CG-CG2 4.14Å; L186-I193 HydrophobicContact CB-CD1 4.24Å; L188-I193 HydrophobicContact CD1-CD1 3.92Å; L188-I193 HydrophobicContact CD1-CG1 3.94Å; I193-H219 WeakPolarHBondContact CA-O 3.49Å; I193-L220 HydrophobicContact CG1-CD2 3.8Å
194T90.3Very high88.5Confident55 Ų5580.1 Ų80.134%0.33741%0.414SS..EExtended strand (participates in β ladder)trans-106.4-36.4-173.453.80000112.8H219 R221T194-H219 PolarHBondContact N-O 3Å; T194-H219 WeakPolarHBondContact OG1-CB 3.38Å; T194-H219 PolarHBondContact OG1-O 3.35Å; T194-R221 HydrophobicContact CG2-CB 3.59Å; T194-R221 VanDerWaalsContact CG2-NH1 3.34Å
195N90.7Very high89.2Confident94 Ų9478.8 Ų78.850%0.50340%0.403SS..EExtended strand (participates in β ladder)trans-157157.4179.2-167.712.1000109.2F218 H219N195-F218 WeakPolarHBondContact O-CA 3.16Å; N195-H219 PolarHBondContact O-N 2.6Å
196Y91.1Very high89.6Confident43 Ų4380.5 Ų80.517%0.16941%0.41CS..EExtended strand (participates in β ladder)trans-144.6155.6170.959.5-91.9000110.2I180 L183 D184 F198 H217I180-Y196 HydrophobicContact CB-CE2 4.05Å; I180-Y196 HydrophobicContact CD1-CD1 4.46Å; I180-Y196 HydrophobicContact CD1-CD2 3.26Å; I180-Y196 HydrophobicContact CD1-CE2 3.63Å; I180-Y196 HydrophobicContact CD1-CG 3.72Å; I180-Y196 HydrophobicContact CG1-CD2 3.88Å; I180-Y196 HydrophobicContact CG1-CE2 3.7Å; I180-Y196 PolarHBondContact N-OH 3.28Å; L183-Y196 HydrophobicContact CD2-CD1 3.64Å; L183-Y196 HydrophobicContact CD2-CE1 4.33Å; L183-Y196 HydrophobicContact CD2-CG 3.74Å; D184-Y196 WeakPolarHBondContact OD1-CE1 3.41Å; D184-Y196 PolarHBondContact OD2-OH 3.25Å; Y196-F198 HydrophobicContact CD2-CE2 4.46Å; Y196-F198 HydrophobicContact CE2-CE2 4.42Å; Y196-H217 CarbonylContact C-O 3.59Å; Y196-H217 WeakPolarHBondContact CA-O 3.41Å; Y196-H217 VanDerWaalsContact CB-O 3.31Å; Y196-H217 WeakPolarHBondContact CB-O 3.48Å
197R91.2Very high89.6Confident106 Ų10684.5 Ų84.540%0.444%0.442SS..EExtended strand (participates in β ladder)trans-149.9149.3176.761.8-177.9178.7107.64.9110.6E154 H217E154-R197 IonicContact OE1-CZ 3.31Å; E154-R197 IonicContact OE1-NE 3.73Å; E154-R197 IonicContact OE1-NH2 3.68Å; E154-R197 PolarHBondContact OE1-NH2 2.69Å; R197-H217 HydrophobicContact CG-CB 3.66Å; R197-H217 PolarHBondContact N-O 3.13Å; R197-H217 PolarHBondContact NH2-ND1 3.35Å; R197-H217 PolarHBondContact O-N 2.93Å
198F91.6Very high89.9Confident48 Ų4878.2 Ų78.221%0.21142%0.423CS..EExtended strand (participates in β ladder)trans-100.7133.9172.4-63.5-78.3000109.7W173 Q177 I180 Y196 L216W173-F198 HydrophobicContact CD2-CB 4.24Å; W173-F198 AromaticContact CD2-CD1 3.79Å; W173-F198 HydrophobicContact CD2-CD1 3.79Å; W173-F198 HydrophobicContact CD2-CE1 4.43Å; W173-F198 HydrophobicContact CD2-CG 4.28Å; W173-F198 AromaticContact CE2-CD1 3.61Å; W173-F198 AromaticContact CE3-CD1 3.94Å; W173-F198 HydrophobicContact CE3-CD1 3.94Å; W173-F198 HydrophobicContact CE3-CE1 4.13Å; W173-F198 HydrophobicContact CG-CB 4.21Å; W173-F198 AromaticContact CH2-CD1 3.75Å; W173-F198 HydrophobicContact CH2-CD1 3.75Å; W173-F198 HydrophobicContact CH2-CE1 4.03Å; W173-F198 HydrophobicContact CZ2-CB 4.45Å; W173-F198 AromaticContact CZ2-CD1 3.59Å; W173-F198 HydrophobicContact CZ2-CD1 3.59Å; W173-F198 HydrophobicContact CZ2-CE1 4.34Å; W173-F198 HydrophobicContact CZ2-CG 4.49Å; W173-F198 AromaticContact CZ3-CD1 3.92Å; W173-F198 HydrophobicContact CZ3-CD1 3.92Å; W173-F198 AromaticContact CZ3-CE1 3.92Å; W173-F198 HydrophobicContact CZ3-CE1 3.92Å; Q177-F198 HydrophobicContact CG-CE1 3.97Å; Q177-F198 HydrophobicContact CG-CE2 4.12Å; Q177-F198 HydrophobicContact CG-CZ 3.65Å; Q177-F198 WeakPolarHBondContact O-CE2 3.5Å; I180-F198 HydrophobicContact CB-CZ 4.47Å; I180-F198 HydrophobicContact CD1-CE1 4.19Å; I180-F198 HydrophobicContact CD1-CE2 4.1Å; I180-F198 HydrophobicContact CD1-CZ 3.65Å; I180-F198 HydrophobicContact CG1-CE1 4.02Å; I180-F198 HydrophobicContact CG1-CE2 3.62Å; I180-F198 HydrophobicContact CG1-CZ 3.11Å; Y196-F198 HydrophobicContact CD2-CE2 4.46Å; Y196-F198 HydrophobicContact CE2-CE2 4.42Å; F198-L216 HydrophobicContact CD1-CB 4.35Å; F198-L216 HydrophobicContact CD1-CD1 4.09Å; F198-L216 HydrophobicContact CE1-CB 4.38Å; F198-L216 HydrophobicContact CE1-CD1 3.87Å; F198-L216 HydrophobicContact CZ-CD1 4.39Å
199T93.2Very high90Very high24 Ų2478.3 Ų78.315%0.14743%0.432CS..EExtended strand (participates in β ladder)trans-128.4156174.952.30000110.1W173 S215 H217W173-T199 PolarHBondContact NE1-O 3.39Å; T199-S215 PolarHBondContact N-O 2.95Å; T199-S215 PolarHBondContact O-N 2.76Å; T199-S215 WeakPolarHBondContact OG1-CB 3.26Å; T199-S215 PolarHBondContact OG1-O 2.92Å; T199-H217 PolarHBondContact OG1-CD2 3.26Å; T199-H217 PolarHBondContact OG1-NE2 2.69Å
200T93.8Very high90.6Very high79 Ų7978 Ų7849%0.48541%0.413SS..EExtended strand (participates in β ladder)trans-128.5122.4171.6-52.40000106.8R213 L214T200-R213 CarbonylContact C-O 3.48Å; T200-R213 WeakPolarHBondContact CA-O 3.49Å; T200-L214 HydrophobicContact CG2-CD2 3.97Å; T200-L214 VanDerWaalsContact OG1-CD2 3.29Å; T200-L214 WeakPolarHBondContact OG1-CD2 3.48Å
201E93.6Very high91Very high96 Ų9674.1 Ų74.145%0.44940%0.395SS..EExtended strand (participates in β ladder)trans-124.9143.8-177.4-63.1-172.1-179.700109.7R213E201-R213 PolarHBondContact N-O 3.05Å; E201-R213 PolarHBondContact O-N 3.23Å
202M93.5Very high91Very high95 Ų9574 Ų7447%0.46839%0.394SS..EExtended strand (participates in β ladder)trans-98111.2176.8-169.562.265.400109.6Q210 F211 P212M202-Q210 HydrophobicContact CG-CB 4.04Å; M202-Q210 HydrophobicContact SD-CB 3.84Å; M202-F211 VanDerWaalsContact SD-C 3.52Å; M202-P212 HydrophobicContact CE-CB 4.13Å; M202-P212 HydrophobicContact SD-CB 4.43Å
203M93.4Very high91.2Very high50 Ų5071.8 Ų71.825%0.24638%0.377CS..EExtended strand (participates in β ladder)trans-86.4128.5-180-60.5-56.8-65.700110.2F205 Q210 F211 R213M203-F205 HydrophobicContact CB-CD2 4.36Å; M203-F205 HydrophobicContact CB-CE2 3.7Å; M203-F205 HydrophobicContact CB-CZ 4.15Å; M203-Q210 CarbonylContact O-C 3.59Å; M203-Q210 VanDerWaalsContact O-CA 3.26Å; M203-Q210 WeakPolarHBondContact O-CA 3.41Å; M203-F211 PolarHBondContact N-O 3.36Å; M203-F211 PolarHBondContact O-N 2.93Å; M203-R213 HydrophobicContact CG-CB 3.73Å
204N92.7Very high91.4Very high109 Ų10970.2 Ų70.258%0.58337%0.369SS*.EExtended strand (participates in β ladder)trans-107.1104.7-178.7-69-44.4000110.8Q210N204-Q210 WeakPolarHBondContact OD1-CG 3.39Å; N204-Q210 PolarHBondContact OD1-NE2 2.8Å
205F89.5Confident91.6Very high82 Ų8267.7 Ų67.736%0.3635%0.354SS..EExtended strand (participates in β ladder)trans-99.2117.6175.2-62.3-77.8000110.2E160 M203 S207 A208 G209 F211E160-F205 WeakPolarHBondContact OE1-CE2 3.49Å; M203-F205 HydrophobicContact CB-CD2 4.36Å; M203-F205 HydrophobicContact CB-CE2 3.7Å; M203-F205 HydrophobicContact CB-CZ 4.15Å; F205-S207 PolarHBondContact O-N 3.4Å; F205-A208 HydrophobicContact CB-CB 4.06Å; F205-A208 PolarHBondContact O-N 3.4Å; F205-A208 VanDerWaalsContact O-N 3.13Å; F205-G209 PolarHBondContact N-O 2.76Å; F205-G209 PolarHBondContact O-N 3.12Å; F205-F211 HydrophobicContact CD2-CB 4.48Å; F205-F211 AromaticContact CD2-CD2 3.63Å; F205-F211 HydrophobicContact CD2-CD2 3.63Å; F205-F211 HydrophobicContact CD2-CE2 4.2Å; F205-F211 HydrophobicContact CD2-CG 4.29Å; F205-F211 HydrophobicContact CE2-CB 4.25Å; F205-F211 HydrophobicContact CE2-CD2 4.15Å; F205-F211 HydrophobicContact CE2-CG 4.37Å
206K84.4Confident91.8Very high218 Ų21863.3 Ų63.395%0.94833%0.33SS*.THydrogen-bonded Turntrans-52.3-30.8-176.2-67.5-174.5179.3-178.60114.3
207S84.9Confident91.9Very high129 Ų12962 Ų6290%0.90233%0.325SS*.THydrogen-bonded Turntrans-100.9-18.2-175.9-51.70000114.3F205F205-S207 PolarHBondContact O-N 3.4Å
208A84.4Confident92Very high60 Ų6057 Ų5750%0.49631%0.306SS..THydrogen-bonded Turntrans-121.8-13-168.600000113.8F205 F211F205-A208 HydrophobicContact CB-CB 4.06Å; F205-A208 PolarHBondContact O-N 3.4Å; F205-A208 VanDerWaalsContact O-N 3.13Å; A208-F211 HydrophobicContact CB-CE2 3.73Å; A208-F211 HydrophobicContact CB-CZ 4.13Å; A208-F211 WeakPolarHBondContact O-CE2 3.43Å
209G90Very high92.1Very high36 Ų3656.7 Ų56.737%0.37131%0.306SS..EExtended strand (participates in β ladder)trans100.7-158.5-178.600000113.1F205F205-G209 PolarHBondContact N-O 2.76Å; F205-G209 PolarHBondContact O-N 3.12Å
210Q93.8Very high92.1Very high98 Ų9855.6 Ų55.646%0.45830%0.299SS..EExtended strand (participates in β ladder)trans-101.5132.9-177.6-43.2-170.3-66.500110.5S166 M202 M203 N204S166-Q210 WeakPolarHBondContact CB-O 3.31Å; S166-Q210 PolarHBondContact N-O 3.37Å; S166-Q210 PolarHBondContact OG-O 3.13Å; M202-Q210 HydrophobicContact CG-CB 4.04Å; M202-Q210 HydrophobicContact SD-CB 3.84Å; M203-Q210 CarbonylContact O-C 3.59Å; M203-Q210 VanDerWaalsContact O-CA 3.26Å; M203-Q210 WeakPolarHBondContact O-CA 3.41Å; N204-Q210 WeakPolarHBondContact OD1-CG 3.39Å; N204-Q210 PolarHBondContact OD1-NE2 2.8Å
211F94.1Very high92.1Very high13 Ų1357.5 Ų57.56%0.05730%0.297CS..EExtended strand (participates in β ladder)trans-125.9127.5-177.8-70.8-105.9000110E160 Y164 M202 M203 F205 A208 R213E160-F211 HydrophobicContact CG-CB 4.01Å; Y164-F211 VanDerWaalsContact C-CE1 3.46Å; Y164-F211 VanDerWaalsContact O-CD1 3.24Å; Y164-F211 WeakPolarHBondContact O-CD1 3.43Å; Y164-F211 WeakPolarHBondContact O-CE1 3.44Å; M202-F211 VanDerWaalsContact SD-C 3.52Å; M203-F211 PolarHBondContact N-O 3.36Å; M203-F211 PolarHBondContact O-N 2.93Å; F205-F211 HydrophobicContact CD2-CB 4.48Å; F205-F211 AromaticContact CD2-CD2 3.63Å; F205-F211 HydrophobicContact CD2-CD2 3.63Å; F205-F211 HydrophobicContact CD2-CE2 4.2Å; F205-F211 HydrophobicContact CD2-CG 4.29Å; F205-F211 HydrophobicContact CE2-CB 4.25Å; F205-F211 HydrophobicContact CE2-CD2 4.15Å; F205-F211 HydrophobicContact CE2-CG 4.37Å; A208-F211 HydrophobicContact CB-CE2 3.73Å; A208-F211 HydrophobicContact CB-CZ 4.13Å; A208-F211 WeakPolarHBondContact O-CE2 3.43Å; F211-R213 PolarHBondContact O-N 2.94Å
212P91.8Very high92Very high3 Ų353.3 Ų53.32%0.01928%0.278CS..EExtended strand (participates in β ladder)trans-73.7123173.829.4-31.1000109.7Y171 M202Y171-P212 HydrophobicContact CD2-CG 4.2Å; M202-P212 HydrophobicContact CE-CB 4.13Å; M202-P212 HydrophobicContact SD-CB 4.43Å
213R95.5Very high91.9Very high36 Ų3653 Ų5314%0.13628%0.278CS..EExtended strand (participates in β ladder)trans-105.1130.2173-178.5172.5-63.7-177.23.2109.9D158 L159 E160 T200 E201 M203 F211D158-R213 HydrophobicContact CB-CG 4.38Å; L159-R213 WeakPolarHBondContact O-CA 3.08Å; E160-R213 IonicContact OE1-NH2 2.73Å; E160-R213 IonicContact OE2-CZ 2.89Å; E160-R213 IonicContact OE2-NE 3.7Å; E160-R213 PolarHBondContact OE2-NE 3.48Å; E160-R213 IonicContact OE2-NH2 3.12Å; E160-R213 PolarHBondContact OE2-NH2 2.94Å; T200-R213 CarbonylContact C-O 3.48Å; T200-R213 WeakPolarHBondContact CA-O 3.49Å; E201-R213 PolarHBondContact N-O 3.05Å; E201-R213 PolarHBondContact O-N 3.23Å; M203-R213 HydrophobicContact CG-CB 3.73Å; F211-R213 PolarHBondContact O-N 2.94Å
214L95.6Very high91.7Very high0 Ų056.6 Ų56.60%029%0.288CS..EExtended strand (participates in β ladder)trans-105124.9173-72.5167.3000108.5L45 L159 Y171 W173 T200L45-L214 HydrophobicContact CB-CD1 3.91Å; L45-L214 HydrophobicContact CD1-CD1 3.36Å; L45-L214 HydrophobicContact CG-CD1 3.73Å; L159-L214 HydrophobicContact CB-CB 4.32Å; L159-L214 PolarHBondContact N-O 3.35Å; L159-L214 PolarHBondContact O-N 3.48Å; Y171-L214 HydrophobicContact CG-CD1 4.25Å; W173-L214 VanDerWaalsContact CD1-CD2 3.43Å; W173-L214 HydrophobicContact CD2-CD2 3.85Å; W173-L214 HydrophobicContact CG-CD2 3.81Å; W173-L214 HydrophobicContact CH2-CB 4.14Å; W173-L214 HydrophobicContact CZ2-CB 3.61Å; W173-L214 HydrophobicContact CZ2-CD2 4.22Å; W173-L214 HydrophobicContact CZ2-CG 4.45Å; T200-L214 HydrophobicContact CG2-CD2 3.97Å; T200-L214 VanDerWaalsContact OG1-CD2 3.29Å; T200-L214 WeakPolarHBondContact OG1-CD2 3.48Å
215S95.3Very high91.5Very high3 Ų352.8 Ų52.82%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-123.2127.7-177.1-63.60000111L157 D158 T199L157-S215 WeakPolarHBondContact O-CA 3.27Å; D158-S215 VanDerWaalsContact OD1-CB 3.24Å; D158-S215 WeakPolarHBondContact OD1-CB 3.29Å; D158-S215 PolarHBondContact OD1-OG 3.44Å; T199-S215 PolarHBondContact N-O 2.95Å; T199-S215 PolarHBondContact O-N 2.76Å; T199-S215 WeakPolarHBondContact OG1-CB 3.26Å; T199-S215 PolarHBondContact OG1-O 2.92Å
216L93.9Very high91.4Very high1 Ų152.5 Ų52.51%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-95.6110.2167.216557.9000108.2I47 V49 M156 L157 W173 I180 F198 F218I47-L216 HydrophobicContact CG2-CD2 4.42Å; V49-L216 HydrophobicContact CG2-CD2 4.34Å; M156-L216 CarbonylContact C-O 3.53Å; M156-L216 VanDerWaalsContact CA-O 3.23Å; M156-L216 WeakPolarHBondContact CA-O 3.4Å; L157-L216 HydrophobicContact CB-CB 4.31Å; L157-L216 PolarHBondContact N-O 2.92Å; L157-L216 PolarHBondContact O-N 3.46Å; W173-L216 HydrophobicContact CH2-CB 4.46Å; I180-L216 HydrophobicContact CD1-CD1 3.31Å; I180-L216 HydrophobicContact CD1-CD2 4.01Å; I180-L216 HydrophobicContact CD1-CG 4.31Å; I180-L216 HydrophobicContact CG1-CD1 4.49Å; F198-L216 HydrophobicContact CD1-CB 4.35Å; F198-L216 HydrophobicContact CD1-CD1 4.09Å; F198-L216 HydrophobicContact CE1-CB 4.38Å; F198-L216 HydrophobicContact CE1-CD1 3.87Å; F198-L216 HydrophobicContact CZ-CD1 4.39Å; L216-F218 HydrophobicContact CG-CD1 4.39Å
217H93.9Very high91.7Very high15 Ų1543.7 Ų43.77%0.06924%0.241CC..EExtended strand (participates in β ladder)trans-94.8136.2173.7-64.2-104.6000109.9E154 C155 Y196 R197 T199E154-H217 IonicContact OE1-CE1 3.39Å; E154-H217 IonicContact OE1-CG 2.96Å; E154-H217 IonicContact OE1-ND1 3.19Å; E154-H217 PolarHBondContact OE1-ND1 3.48Å; C155-H217 WeakPolarHBondContact O-CA 3.38Å; Y196-H217 CarbonylContact C-O 3.59Å; Y196-H217 WeakPolarHBondContact CA-O 3.41Å; Y196-H217 VanDerWaalsContact CB-O 3.31Å; Y196-H217 WeakPolarHBondContact CB-O 3.48Å; R197-H217 HydrophobicContact CG-CB 3.66Å; R197-H217 PolarHBondContact N-O 3.13Å; R197-H217 PolarHBondContact NH2-ND1 3.35Å; R197-H217 PolarHBondContact O-N 2.93Å; T199-H217 PolarHBondContact OG1-CD2 3.26Å; T199-H217 PolarHBondContact OG1-NE2 2.69Å
218F92.9Very high92Very high1 Ų140 Ų400%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-141.2140.6172.658.6-84.1000111.5I52 Y62 M64 C155 L183 N195 L216 L220I52-F218 HydrophobicContact CD1-CE2 4.21Å; Y62-F218 HydrophobicContact CD1-CZ 4.37Å; Y62-F218 HydrophobicContact CD2-CZ 4.29Å; Y62-F218 HydrophobicContact CE1-CE1 4.5Å; Y62-F218 AromaticContact CE1-CZ 3.94Å; Y62-F218 HydrophobicContact CE1-CZ 3.94Å; Y62-F218 HydrophobicContact CE2-CE1 4.41Å; Y62-F218 AromaticContact CE2-CZ 3.88Å; Y62-F218 HydrophobicContact CE2-CZ 3.88Å; Y62-F218 AromaticContact CZ-CE1 3.99Å; Y62-F218 AromaticContact CZ-CZ 3.65Å; M64-F218 HydrophobicContact CE-CD1 4.48Å; M64-F218 HydrophobicContact CE-CE1 3.5Å; M64-F218 HydrophobicContact CE-CZ 3.68Å; C155-F218 HydrophobicContact CB-CD2 4.38Å; C155-F218 HydrophobicContact CB-CE1 4.02Å; C155-F218 HydrophobicContact CB-CE2 3.72Å; C155-F218 HydrophobicContact CB-CZ 3.51Å; C155-F218 PolarHBondContact N-O 3.02Å; C155-F218 WeakPolarHBondContact O-CD1 3.35Å; C155-F218 PolarHBondContact O-N 3.5Å; L183-F218 HydrophobicContact CD2-CB 4.28Å; N195-F218 WeakPolarHBondContact O-CA 3.16Å; L216-F218 HydrophobicContact CG-CD1 4.39Å; F218-L220 HydrophobicContact CD2-CD1 4.42Å; F218-L220 HydrophobicContact CD2-CD2 3.98Å; F218-L220 HydrophobicContact CD2-CG 3.93Å; F218-L220 HydrophobicContact CE2-CD1 3.93Å; F218-L220 HydrophobicContact CE2-CD2 4.09Å; F218-L220 HydrophobicContact CE2-CG 3.96Å
219H93.8Very high92.4Very high43 Ų4342.8 Ų42.820%0.19922%0.216CC..EExtended strand (participates in β ladder)trans-99.2118.9-177.4-70.5-84.1000110.9Q153 E154 I193 T194 N195Q153-H219 CarbonylContact O-C 3.6Å; Q153-H219 WeakPolarHBondContact O-CA 3.48Å; E154-H219 IonicContact OE2-CE1 2.76Å; E154-H219 PolarHBondContact OE2-CE1 3.09Å; I193-H219 WeakPolarHBondContact CA-O 3.49Å; T194-H219 PolarHBondContact N-O 3Å; T194-H219 WeakPolarHBondContact OG1-CB 3.38Å; T194-H219 PolarHBondContact OG1-O 3.35Å; N195-H219 PolarHBondContact O-N 2.6Å
220L93.3Very high92.3Very high1 Ų146.9 Ų46.91%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-100.3122.7176.3-61.8172.4000110I55 E152 Q153 L188 F191 I193 F218I55-L220 HydrophobicContact CD1-CD1 3.99Å; E152-L220 WeakPolarHBondContact CA-O 3.36Å; Q153-L220 HydrophobicContact CB-CB 4.33Å; Q153-L220 PolarHBondContact N-O 3.04Å; Q153-L220 PolarHBondContact O-N 3.16Å; L188-L220 HydrophobicContact CD1-CD2 3.87Å; F191-L220 HydrophobicContact CB-CB 4.49Å; F191-L220 HydrophobicContact CB-CD2 4.33Å; F191-L220 HydrophobicContact CD1-CB 4.02Å; I193-L220 HydrophobicContact CG1-CD2 3.8Å; F218-L220 HydrophobicContact CD2-CD1 4.42Å; F218-L220 HydrophobicContact CD2-CD2 3.98Å; F218-L220 HydrophobicContact CD2-CG 3.93Å; F218-L220 HydrophobicContact CE2-CD1 3.93Å; F218-L220 HydrophobicContact CE2-CD2 4.09Å; F218-L220 HydrophobicContact CE2-CG 3.96Å
221R92.9Very high92.2Very high118 Ų11843 Ų4345%0.44521%0.209SC..EExtended strand (participates in β ladder)trans-104.3126.9169.9-179.6177.8-72.5136.81.6109.7E152 F191 T192 T194E152-R221 HydrophobicContact CG-CB 4.4Å; E152-R221 HydrophobicContact CG-CG 4.28Å; E152-R221 IonicContact OE1-CZ 3.42Å; E152-R221 IonicContact OE1-NE 2.72Å; E152-R221 PolarHBondContact OE1-NE 2.95Å; E152-R221 IonicContact OE1-NH2 2.76Å; E152-R221 PolarHBondContact OE1-NH2 3.46Å; E152-R221 IonicContact OE2-NH2 3.79Å; F191-R221 CarbonylContact C-O 3.52Å; F191-R221 VanDerWaalsContact CA-O 3.31Å; F191-R221 WeakPolarHBondContact CA-O 3.25Å; T192-R221 PolarHBondContact N-O 3.42Å; T192-R221 PolarHBondContact O-N 3.3Å; T194-R221 HydrophobicContact CG2-CB 3.59Å; T194-R221 VanDerWaalsContact CG2-NH1 3.34Å
222R92.3Very high92.2Very high9 Ų942.5 Ų42.53%0.03421%0.206CC..EExtended strand (participates in β ladder)trans-71.5137.6179-172.2180-61-81.6-3.6111.7E57 P149 D151 F191 R224 Y227E57-R222 IonicContact OE1-CZ 3.48Å; E57-R222 VanDerWaalsContact OE1-CZ 3.25Å; E57-R222 IonicContact OE1-NH1 3.8Å; E57-R222 PolarHBondContact OE1-NH1 3.45Å; E57-R222 IonicContact OE1-NH2 2.86Å; E57-R222 PolarHBondContact OE1-NH2 3.06Å; P149-R222 WeakPolarHBondContact O-CD 3.39Å; D151-R222 PolarHBondContact O-N 3.31Å; D151-R222 WeakPolarHBondContact OD1-CD 3.39Å; D151-R222 IonicContact OD1-CZ 3.77Å; D151-R222 IonicContact OD1-NE 2.68Å; D151-R222 PolarHBondContact OD1-NE 3.46Å; D151-R222 IonicContact OD2-CZ 3.17Å; D151-R222 IonicContact OD2-NE 2.71Å; D151-R222 PolarHBondContact OD2-NE 3.48Å; D151-R222 IonicContact OD2-NH2 3.74Å; D151-R222 PolarHBondContact OD2-NH2 3.48Å; F191-R222 HydrophobicContact CD1-CB 4.08Å; F191-R222 HydrophobicContact CE1-CB 3.93Å; F191-R222 HydrophobicContact CE1-CG 4.22Å; F191-R222 VanDerWaalsContact CZ-CZ 3.45Å; R222-R224 PolarHBondContact O-N 3.03Å; R222-R224 VanDerWaalsContact O-N 3.16Å; R222-Y227 HydrophobicContact CG-CE2 3.97Å; R222-Y227 PolarHBondContact NH1-OH 2.89Å
223N91.1Very high92.3Very high88 Ų8845.4 Ų45.447%0.47122%0.224SC..  trans-76.5102.2169.4-172.4-7.5000110.5Q190 G225 Y227Q190-N223 PolarHBondContact O-N 3.22Å; N223-G225 VanDerWaalsContact C-N 3.35Å; N223-G225 PolarHBondContact O-N 2.82Å; N223-G225 PolarHBondContact OD1-N 3.44Å; N223-Y227 WeakPolarHBondContact O-CD2 3.36Å
224R89.5Confident92.3Very high125 Ų12545.7 Ų45.747%0.47223%0.231SC..  trans-74-14.7-174.963.1-174.9-176.71741115.7R222 V226 Y227 I228R222-R224 PolarHBondContact O-N 3.03Å; R222-R224 VanDerWaalsContact O-N 3.16Å; R224-V226 PolarHBondContact O-N 2.96Å; R224-Y227 PolarHBondContact O-N 2.91Å; R224-I228 HydrophobicContact CB-CD1 4.39Å; R224-I228 HydrophobicContact CG-CD1 4.05Å; R224-I228 WeakPolarHBondContact O-CG1 3.2Å; R224-I228 PolarHBondContact O-N 3.04Å; R224-I228 VanDerWaalsContact O-N 3.09Å
225G88.4Confident92.3Very high30 Ų3045.7 Ų45.731%0.30923%0.231SC..Hα-helixtrans-59.6-44-168.400000114.4N223 I228 I229N223-G225 VanDerWaalsContact C-N 3.35Å; N223-G225 PolarHBondContact O-N 2.82Å; N223-G225 PolarHBondContact OD1-N 3.44Å; G225-I228 PolarHBondContact O-N 3.06Å; G225-I229 PolarHBondContact O-N 2.76Å
226V88.7Confident92.3Very high75 Ų7548.5 Ų48.546%0.45525%0.245SC..Hα-helixtrans-65.6-42-179.8178.20000111.2R224 I228 I229 Q230R224-V226 PolarHBondContact O-N 2.96Å; V226-I228 VanDerWaalsContact C-N 3.35Å; V226-I228 PolarHBondContact O-N 2.97Å; V226-I229 PolarHBondContact O-N 3.06Å; V226-Q230 HydrophobicContact CG1-CG 4.15Å; V226-Q230 WeakPolarHBondContact O-CB 3.21Å; V226-Q230 WeakPolarHBondContact O-CG 3.34Å; V226-Q230 PolarHBondContact O-N 3.48Å
227Y89.8Confident92.3Very high34 Ų3453.3 Ų53.313%0.13327%0.27CS..Hα-helixtrans-67.8-34.2179.9-57.1-81.1000112.6Y148 P149 R222 N223 R224 S231 Y232Y148-Y227 AromaticContact CZ-CE1 3.9Å; Y148-Y227 WeakPolarHBondContact OH-CD1 3.3Å; Y148-Y227 WeakPolarHBondContact OH-CE1 3.27Å; P149-Y227 HydrophobicContact CB-CD1 4.35Å; P149-Y227 HydrophobicContact CB-CD2 3.83Å; P149-Y227 HydrophobicContact CB-CE2 4.42Å; P149-Y227 HydrophobicContact CB-CG 3.77Å; P149-Y227 HydrophobicContact CG-CD2 4.48Å; P149-Y227 HydrophobicContact CG-CG 4.11Å; R222-Y227 HydrophobicContact CG-CE2 3.97Å; R222-Y227 PolarHBondContact NH1-OH 2.89Å; N223-Y227 WeakPolarHBondContact O-CD2 3.36Å; R224-Y227 PolarHBondContact O-N 2.91Å; Y227-S231 WeakPolarHBondContact O-CB 3.34Å; Y227-S231 PolarHBondContact O-N 2.89Å; Y227-Y232 PolarHBondContact O-N 2.87Å
228I91.6Very high92.4Very high50 Ų5053.4 Ų53.426%0.25627%0.271SS..Iπ-helixtrans-60.5-49173-67.6170.1000110.1R224 G225 V226 Y232 V233 W424R224-I228 HydrophobicContact CB-CD1 4.39Å; R224-I228 HydrophobicContact CG-CD1 4.05Å; R224-I228 WeakPolarHBondContact O-CG1 3.2Å; R224-I228 PolarHBondContact O-N 3.04Å; R224-I228 VanDerWaalsContact O-N 3.09Å; G225-I228 PolarHBondContact O-N 3.06Å; V226-I228 VanDerWaalsContact C-N 3.35Å; V226-I228 PolarHBondContact O-N 2.97Å; I228-Y232 HydrophobicContact CG1-CD2 4.45Å; I228-Y232 WeakPolarHBondContact O-CB 3.31Å; I228-Y232 PolarHBondContact O-N 3.02Å; I228-Y232 VanDerWaalsContact O-N 3.16Å; I228-V233 PolarHBondContact O-N 3.3Å; I228-W424 HydrophobicContact CD1-CH2 4.36Å; I228-W424 HydrophobicContact CG1-CH2 4.16Å
229I91.6Very high92.5Very high119 Ų11953.4 Ų53.461%0.6127%0.271SS*.Iπ-helixtrans-70.9-37.8-177.1-64170.1000111.9G225 V226 P234G225-I229 PolarHBondContact O-N 2.76Å; V226-I229 PolarHBondContact O-N 3.06Å; I229-P234 VanDerWaalsContact O-CD 3.27Å; I229-P234 WeakPolarHBondContact O-CD 3.43Å
230Q89.6Confident92.5Very high123 Ų12353 Ų5358%0.57528%0.276SS*.Iπ-helixtrans-86.3-29.3-175-70.5-177.8-8.600114.2V226 P234V226-Q230 HydrophobicContact CG1-CG 4.15Å; V226-Q230 WeakPolarHBondContact O-CB 3.21Å; V226-Q230 WeakPolarHBondContact O-CG 3.34Å; V226-Q230 PolarHBondContact O-N 3.48Å; Q230-P234 WeakPolarHBondContact O-CG 3.23Å
231S91.6Very high92.5Very high15 Ų1557.5 Ų57.511%0.10530%0.298CS..Iπ-helixtrans-114.9-49-174.9-54.80000112.9Y227 S235Y227-S231 WeakPolarHBondContact O-CB 3.34Å; Y227-S231 PolarHBondContact O-N 2.89Å; S231-S235 WeakPolarHBondContact O-CB 3.48Å; S231-S235 PolarHBondContact O-N 3.3Å; S231-S235 PolarHBondContact O-OG 2.93Å
232Y93.6Very high92.5Very high3 Ų352 Ų521%0.01228%0.277CS..Iπ-helixtrans-74.4-48.1-175-72.4-94.9000112.4P149 M150 Y227 I228 S235 I236 L287 Y290 Y423 W424P149-Y232 HydrophobicContact CG-CE2 4.14Å; M150-Y232 VanDerWaalsContact CE-OH 3.25Å; M150-Y232 WeakPolarHBondContact CE-OH 3.28Å; Y227-Y232 PolarHBondContact O-N 2.87Å; I228-Y232 HydrophobicContact CG1-CD2 4.45Å; I228-Y232 WeakPolarHBondContact O-CB 3.31Å; I228-Y232 PolarHBondContact O-N 3.02Å; I228-Y232 VanDerWaalsContact O-N 3.16Å; Y232-S235 WeakPolarHBondContact O-CB 3.47Å; Y232-S235 PolarHBondContact O-N 3.48Å; Y232-I236 WeakPolarHBondContact O-CG1 3.5Å; Y232-I236 PolarHBondContact O-N 3.21Å; Y232-L287 HydrophobicContact CD2-CD1 4.16Å; Y232-L287 HydrophobicContact CE1-CD1 4.38Å; Y232-L287 HydrophobicContact CE2-CD1 3.55Å; Y232-Y290 AromaticContact CD1-CD1 3.49Å; Y232-Y290 HydrophobicContact CD1-CD1 3.49Å; Y232-Y290 VanDerWaalsContact CD1-CD1 3.49Å; Y232-Y290 HydrophobicContact CD1-CD2 4.11Å; Y232-Y290 AromaticContact CD1-CE1 3.43Å; Y232-Y290 HydrophobicContact CD1-CE1 3.43Å; Y232-Y290 VanDerWaalsContact CD1-CE1 3.43Å; Y232-Y290 HydrophobicContact CD1-CE2 4.06Å; Y232-Y290 AromaticContact CD1-CG 3.83Å; Y232-Y290 HydrophobicContact CD1-CG 3.83Å; Y232-Y290 AromaticContact CD1-CZ 3.74Å; Y232-Y290 AromaticContact CE1-CD1 3.62Å; Y232-Y290 HydrophobicContact CE1-CD1 3.62Å; Y232-Y290 AromaticContact CE1-CD2 3.85Å; Y232-Y290 HydrophobicContact CE1-CD2 3.85Å; Y232-Y290 HydrophobicContact CE1-CE1 4.03Å; Y232-Y290 HydrophobicContact CE1-CE2 4.24Å; Y232-Y290 AromaticContact CE1-CG 3.51Å; Y232-Y290 HydrophobicContact CE1-CG 3.51Å; Y232-Y290 HydrophobicContact CG-CD1 4.43Å; Y232-Y290 HydrophobicContact CG-CE1 4.28Å; Y232-Y423 AromaticContact CE1-CE1 3.68Å; Y232-Y423 HydrophobicContact CE1-CE1 3.68Å; Y232-Y423 PolarHBondContact OH-OH 3.03Å; Y232-W424 HydrophobicContact CD1-CH2 4.02Å; Y232-W424 AromaticContact CD1-CZ2 3.64Å; Y232-W424 HydrophobicContact CD1-CZ2 3.64Å; Y232-W424 HydrophobicContact CE1-CH2 4.04Å; Y232-W424 AromaticContact CE1-CZ2 3.94Å; Y232-W424 HydrophobicContact CE1-CZ2 3.94Å; Y232-W424 HydrophobicContact CG-CH2 4.27Å; Y232-W424 HydrophobicContact CG-CZ2 4.12Å
233V94.6Very high92.5Very high64 Ų6453.8 Ų53.839%0.38828%0.284SS..Hα-helixtrans-60.2-49.1-178.9170.60000112I228 S235 I236 L237I228-V233 PolarHBondContact O-N 3.3Å; V233-S235 VanDerWaalsContact C-N 3.3Å; V233-S235 PolarHBondContact O-N 3.31Å; V233-I236 PolarHBondContact O-N 3.3Å; V233-L237 HydrophobicContact CG1-CD1 4.03Å; V233-L237 HydrophobicContact CG1-CG 4.44Å; V233-L237 WeakPolarHBondContact O-CG 3.47Å; V233-L237 PolarHBondContact O-N 3.15Å
234P95Very high92.4Very high43 Ų4353 Ų5328%0.27928%0.282SS..Hα-helixtrans-62.4-36.1177.3-26.438.3000112.9I229 Q230 L237 L238 L270I229-P234 VanDerWaalsContact O-CD 3.27Å; I229-P234 WeakPolarHBondContact O-CD 3.43Å; Q230-P234 WeakPolarHBondContact O-CG 3.23Å; P234-L237 PolarHBondContact O-N 3.13Å; P234-L238 WeakPolarHBondContact O-CB 3.37Å; P234-L238 VanDerWaalsContact O-CG 3.28Å; P234-L238 WeakPolarHBondContact O-CG 3.47Å; P234-L238 PolarHBondContact O-N 3.42Å; P234-L270 HydrophobicContact CB-CD2 4.17Å
235S95.3Very high92.3Very high0 Ų047.2 Ų47.20%026%0.261CS..Hα-helixtrans-63.8-43.5176.1-58.90000112.3S231 Y232 V233 L237 L238 V239 L270 F291S231-S235 WeakPolarHBondContact O-CB 3.48Å; S231-S235 PolarHBondContact O-N 3.3Å; S231-S235 PolarHBondContact O-OG 2.93Å; Y232-S235 WeakPolarHBondContact O-CB 3.47Å; Y232-S235 PolarHBondContact O-N 3.48Å; V233-S235 VanDerWaalsContact C-N 3.3Å; V233-S235 PolarHBondContact O-N 3.31Å; S235-L237 VanDerWaalsContact C-N 3.33Å; S235-L237 PolarHBondContact O-N 2.96Å; S235-L238 PolarHBondContact O-N 3.31Å; S235-V239 WeakPolarHBondContact O-CG2 3.26Å; S235-V239 PolarHBondContact O-N 2.99Å; S235-L270 VanDerWaalsContact OG-CD2 3.3Å; S235-L270 WeakPolarHBondContact OG-CD2 3.35Å; S235-F291 VanDerWaalsContact OG-CE1 3.27Å; S235-F291 WeakPolarHBondContact OG-CE1 3.32Å
236I95.3Very high92.3Very high62 Ų6245.9 Ų45.932%0.31825%0.246SC..Hα-helixtrans-61.9-44.1175.4-67.7165.9000110.3Y232 V233 L238 V239 A240 Y290 F416Y232-I236 WeakPolarHBondContact O-CG1 3.5Å; Y232-I236 PolarHBondContact O-N 3.21Å; V233-I236 PolarHBondContact O-N 3.3Å; I236-L238 VanDerWaalsContact C-N 3.34Å; I236-L238 PolarHBondContact O-N 3.5Å; I236-V239 PolarHBondContact O-N 3.01Å; I236-A240 WeakPolarHBondContact O-CB 3.42Å; I236-A240 PolarHBondContact O-N 3.31Å; I236-Y290 WeakPolarHBondContact CD1-OH 3.33Å; I236-Y290 WeakPolarHBondContact CG1-OH 3.27Å; I236-F416 HydrophobicContact CG1-CE1 4.25Å; I236-F416 HydrophobicContact CG1-CZ 4.18Å; I236-F416 HydrophobicContact CG2-CE1 4.2Å
237L94.6Very high92.2Very high102 Ų10250.9 Ų50.953%0.53426%0.257SS..Hα-helixtrans-63.6-38.9177.5-67.6174.8000111.8V233 P234 S235 A240 M241V233-L237 HydrophobicContact CG1-CD1 4.03Å; V233-L237 HydrophobicContact CG1-CG 4.44Å; V233-L237 WeakPolarHBondContact O-CG 3.47Å; V233-L237 PolarHBondContact O-N 3.15Å; P234-L237 PolarHBondContact O-N 3.13Å; S235-L237 VanDerWaalsContact C-N 3.33Å; S235-L237 PolarHBondContact O-N 2.96Å; L237-A240 PolarHBondContact O-N 2.7Å; L237-M241 WeakPolarHBondContact O-CB 3.42Å; L237-M241 VanDerWaalsContact O-CG 3.31Å; L237-M241 WeakPolarHBondContact O-CG 3.38Å; L237-M241 PolarHBondContact O-N 2.69Å
238L94.8Very high92.1Very high17 Ų1751.3 Ų51.39%0.08926%0.262CS..Hα-helixtrans-62.3-44174.4-76.3169.6000111.9P234 S235 I236 M241 S242 T266 M267 L270P234-L238 WeakPolarHBondContact O-CB 3.37Å; P234-L238 VanDerWaalsContact O-CG 3.28Å; P234-L238 WeakPolarHBondContact O-CG 3.47Å; P234-L238 PolarHBondContact O-N 3.42Å; S235-L238 PolarHBondContact O-N 3.31Å; I236-L238 VanDerWaalsContact C-N 3.34Å; I236-L238 PolarHBondContact O-N 3.5Å; L238-M241 HydrophobicContact CD2-CE 3.56Å; L238-M241 HydrophobicContact CG-CE 4.27Å; L238-M241 PolarHBondContact O-N 3.06Å; L238-S242 PolarHBondContact O-N 3.36Å; L238-T266 VanDerWaalsContact CD2-OG1 3.26Å; L238-T266 WeakPolarHBondContact CD2-OG1 3.36Å; L238-M267 HydrophobicContact CD1-CB 4.49Å; L238-M267 HydrophobicContact CD1-SD 4.12Å; L238-L270 HydrophobicContact CD1-CD2 4.01Å
239V96Very high91.6Very high0 Ų052.2 Ų52.20%027%0.272CS..Hα-helixtrans-61.6-46.3174.1174.90000110.3S235 I236 M241 S242 W243 C294 F297 V298 F416S235-V239 WeakPolarHBondContact O-CG2 3.26Å; S235-V239 PolarHBondContact O-N 2.99Å; I236-V239 PolarHBondContact O-N 3.01Å; V239-M241 VanDerWaalsContact C-N 3.35Å; V239-M241 PolarHBondContact O-N 3.39Å; V239-S242 WeakPolarHBondContact O-CB 3.33Å; V239-S242 PolarHBondContact O-N 2.81Å; V239-S242 VanDerWaalsContact O-N 3.13Å; V239-S242 PolarHBondContact O-OG 3.45Å; V239-W243 HydrophobicContact CG1-CZ2 3.65Å; V239-W243 PolarHBondContact O-NE1 3.19Å; V239-C294 HydrophobicContact CG2-CB 3.68Å; V239-F297 HydrophobicContact CG1-CB 4.02Å; V239-V298 HydrophobicContact CG2-CG2 3.98Å; V239-F416 HydrophobicContact CB-CE2 4.36Å; V239-F416 HydrophobicContact CB-CZ 4.19Å; V239-F416 HydrophobicContact CG1-CD1 4.31Å; V239-F416 HydrophobicContact CG1-CD2 4.02Å; V239-F416 HydrophobicContact CG1-CE1 4.3Å; V239-F416 HydrophobicContact CG1-CE2 4.01Å; V239-F416 HydrophobicContact CG1-CG 4.17Å; V239-F416 HydrophobicContact CG1-CZ 4.14Å; V239-F416 HydrophobicContact CG2-CE2 4.06Å; V239-F416 HydrophobicContact CG2-CZ 4.14Å
240A94.1Very high90.7Very high36 Ų3649.2 Ų49.230%0.29826%0.255SS..Hα-helixtrans-62.6-39.6177.800000112.6I236 L237 S242 W243I236-A240 WeakPolarHBondContact O-CB 3.42Å; I236-A240 PolarHBondContact O-N 3.31Å; L237-A240 PolarHBondContact O-N 2.7Å; A240-S242 VanDerWaalsContact C-N 3.27Å; A240-S242 PolarHBondContact O-N 3.19Å; A240-W243 HydrophobicContact CB-CE3 4.2Å; A240-W243 HydrophobicContact CB-CZ3 4.22Å; A240-W243 WeakPolarHBondContact O-CB 3.49Å; A240-W243 PolarHBondContact O-N 3.44Å; A240-W243 VanDerWaalsContact O-N 3.13Å
241M92.1Very high90.1Very high95 Ų9548 Ų4847%0.46826%0.261SS..Hα-helixtrans-62.3-34.8174.8-77.2-166.8-60.100111.9L237 L238 V239 W243 V244 T263L237-M241 WeakPolarHBondContact O-CB 3.42Å; L237-M241 VanDerWaalsContact O-CG 3.31Å; L237-M241 WeakPolarHBondContact O-CG 3.38Å; L237-M241 PolarHBondContact O-N 2.69Å; L238-M241 HydrophobicContact CD2-CE 3.56Å; L238-M241 HydrophobicContact CG-CE 4.27Å; L238-M241 PolarHBondContact O-N 3.06Å; V239-M241 VanDerWaalsContact C-N 3.35Å; V239-M241 PolarHBondContact O-N 3.39Å; M241-W243 PolarHBondContact O-N 2.96Å; M241-V244 VanDerWaalsContact O-CB 3.31Å; M241-V244 WeakPolarHBondContact O-CB 3.09Å; M241-V244 WeakPolarHBondContact O-CG2 3.43Å; M241-V244 PolarHBondContact O-N 3.28Å; M241-V244 VanDerWaalsContact O-N 3.12Å; M241-T263 HydrophobicContact CB-CG2 4.37Å
242S93.5Very high89.8Confident2 Ų248.9 Ų48.91%0.01427%0.269CS..Hα-helixtrans-60.3-30.5175.880.80000112.6L238 V239 A240 V244 S245L238-S242 PolarHBondContact O-N 3.36Å; V239-S242 WeakPolarHBondContact O-CB 3.33Å; V239-S242 PolarHBondContact O-N 2.81Å; V239-S242 VanDerWaalsContact O-N 3.13Å; V239-S242 PolarHBondContact O-OG 3.45Å; A240-S242 VanDerWaalsContact C-N 3.27Å; A240-S242 PolarHBondContact O-N 3.19Å; S242-V244 VanDerWaalsContact C-N 3.29Å; S242-V244 PolarHBondContact O-N 2.89Å; S242-S245 WeakPolarHBondContact O-CB 2.98Å; S242-S245 PolarHBondContact O-N 3.38Å; S242-S245 PolarHBondContact O-OG 3.03Å
243W91.9Very high89.5Confident47 Ų4751.1 Ų51.118%0.17828%0.283CS..G310 helixtrans-73.8-17179.1-50.7-21.9000113.8V239 A240 M241 S245 F246 P413 F416V239-W243 HydrophobicContact CG1-CZ2 3.65Å; V239-W243 PolarHBondContact O-NE1 3.19Å; A240-W243 HydrophobicContact CB-CE3 4.2Å; A240-W243 HydrophobicContact CB-CZ3 4.22Å; A240-W243 WeakPolarHBondContact O-CB 3.49Å; A240-W243 PolarHBondContact O-N 3.44Å; A240-W243 VanDerWaalsContact O-N 3.13Å; M241-W243 PolarHBondContact O-N 2.96Å; W243-S245 PolarHBondContact O-N 3.03Å; W243-F246 HydrophobicContact CB-CD2 3.84Å; W243-F246 HydrophobicContact CB-CE2 3.85Å; W243-F246 AromaticContact CD1-CE2 3.72Å; W243-F246 HydrophobicContact CG-CD2 4.44Å; W243-F246 AromaticContact CG-CE2 3.99Å; W243-F246 HydrophobicContact CG-CE2 3.99Å; W243-F246 WeakPolarHBondContact O-CB 3.27Å; W243-F246 WeakPolarHBondContact O-CD2 3.32Å; W243-F246 WeakPolarHBondContact O-CG 3.42Å; W243-F246 PolarHBondContact O-N 3.21Å; W243-P413 HydrophobicContact CD2-CG 4.11Å; W243-P413 HydrophobicContact CE3-CB 4.36Å; W243-P413 HydrophobicContact CE3-CG 3.78Å; W243-P413 HydrophobicContact CH2-CB 3.82Å; W243-P413 HydrophobicContact CH2-CG 4.06Å; W243-P413 HydrophobicContact CZ2-CB 4.36Å; W243-P413 HydrophobicContact CZ2-CG 4.35Å; W243-P413 HydrophobicContact CZ3-CB 3.81Å; W243-P413 HydrophobicContact CZ3-CG 3.76Å; W243-F416 HydrophobicContact CH2-CB 4.48Å; W243-F416 HydrophobicContact CH2-CD1 4.11Å; W243-F416 HydrophobicContact CZ2-CB 4Å; W243-F416 HydrophobicContact CZ2-CD1 4.07Å; W243-F416 HydrophobicContact CZ2-CG 4.17Å
244V89.5Confident89.2Confident70 Ų7053 Ų5342%0.42430%0.296SS..G310 helixtrans-59.4-28.4174.4178.90000110.4M241 S242 F246 W247 I248 L259M241-V244 VanDerWaalsContact O-CB 3.31Å; M241-V244 WeakPolarHBondContact O-CB 3.09Å; M241-V244 WeakPolarHBondContact O-CG2 3.43Å; M241-V244 PolarHBondContact O-N 3.28Å; M241-V244 VanDerWaalsContact O-N 3.12Å; S242-V244 VanDerWaalsContact C-N 3.29Å; S242-V244 PolarHBondContact O-N 2.89Å; V244-F246 PolarHBondContact O-N 3.13Å; V244-W247 PolarHBondContact O-N 3.48Å; V244-I248 HydrophobicContact CG1-CD1 4.41Å; V244-I248 PolarHBondContact O-N 3.01Å; V244-L259 HydrophobicContact CB-CD1 4.29Å; V244-L259 HydrophobicContact CG1-CD1 4.35Å
245S87.6Confident88.9Confident5 Ų553.2 Ų53.24%0.03530%0.302CS..G310 helixtrans-55.9-33.6174.166.90000113.4S242 W243 W247 I248 R256S242-S245 WeakPolarHBondContact O-CB 2.98Å; S242-S245 PolarHBondContact O-N 3.38Å; S242-S245 PolarHBondContact O-OG 3.03Å; W243-S245 PolarHBondContact O-N 3.03Å; S245-W247 PolarHBondContact O-N 3.37Å; S245-I248 PolarHBondContact O-N 3.41Å; S245-R256 PolarHBondContact O-NE 3.19Å
246F88.6Confident88.6Confident1 Ų153.4 Ų53.40%0.00430%0.302CS..G310 helixtrans-70.1-15.2179.4-50-35.6000113.6W243 V244 A301 E304 A408 R409 F412W243-F246 HydrophobicContact CB-CD2 3.84Å; W243-F246 HydrophobicContact CB-CE2 3.85Å; W243-F246 AromaticContact CD1-CE2 3.72Å; W243-F246 HydrophobicContact CG-CD2 4.44Å; W243-F246 AromaticContact CG-CE2 3.99Å; W243-F246 HydrophobicContact CG-CE2 3.99Å; W243-F246 WeakPolarHBondContact O-CB 3.27Å; W243-F246 WeakPolarHBondContact O-CD2 3.32Å; W243-F246 WeakPolarHBondContact O-CG 3.42Å; W243-F246 PolarHBondContact O-N 3.21Å; V244-F246 PolarHBondContact O-N 3.13Å; F246-A301 HydrophobicContact CE1-CB 4.15Å; F246-A301 HydrophobicContact CZ-CB 3.91Å; F246-E304 WeakPolarHBondContact CD1-OE2 3.38Å; F246-E304 HydrophobicContact CE1-CB 4.25Å; F246-E304 HydrophobicContact CE1-CG 3.98Å; F246-E304 WeakPolarHBondContact CE1-OE2 3.42Å; F246-A408 HydrophobicContact CD1-CB 4.05Å; F246-A408 HydrophobicContact CD2-CB 4.16Å; F246-A408 HydrophobicContact CE1-CB 4.07Å; F246-A408 HydrophobicContact CE2-CB 4.16Å; F246-A408 HydrophobicContact CG-CB 4.12Å; F246-A408 HydrophobicContact CZ-CB 4.12Å; F246-R409 HydrophobicContact CB-CG 3.97Å; F246-R409 PolarHBondContact O-NE 3.34Å; F246-R409 VanDerWaalsContact O-NE 3.15Å; F246-R409 PolarHBondContact O-NH2 3.44Å; F246-F412 HydrophobicContact CE2-CB 4.03Å; F246-F412 HydrophobicContact CE2-CD1 4.3Å; F246-F412 HydrophobicContact CE2-CD2 4.08Å; F246-F412 AromaticContact CE2-CG 3.9Å; F246-F412 HydrophobicContact CE2-CG 3.9Å; F246-F412 AromaticContact CZ-CD1 3.98Å; F246-F412 HydrophobicContact CZ-CD1 3.98Å; F246-F412 AromaticContact CZ-CD2 3.9Å; F246-F412 HydrophobicContact CZ-CD2 3.9Å; F246-F412 HydrophobicContact CZ-CE1 4.08Å; F246-F412 AromaticContact CZ-CE2 4Å; F246-F412 HydrophobicContact CZ-CE2 4Å; F246-F412 AromaticContact CZ-CG 3.89Å; F246-F412 HydrophobicContact CZ-CG 3.89Å; F246-F412 HydrophobicContact CZ-CZ 4.09Å
247W86.6Confident88.4Confident181 Ų18152.9 Ų52.969%0.68630%0.302SS*.THydrogen-bonded Turntrans-98.5-25.6-179.9-67.387.9000112.8V244 S245 R409V244-W247 PolarHBondContact O-N 3.48Å; S245-W247 PolarHBondContact O-N 3.37Å; W247-R409 HydrophobicContact CZ2-CG 4.47Å
248I86.4Confident88.2Confident43 Ų4351.3 Ų51.322%0.22130%0.3CS..SBendtrans-71.3139.5177.3-65.7172000108.4V244 S245 A252 A255 R256V244-I248 HydrophobicContact CG1-CD1 4.41Å; V244-I248 PolarHBondContact O-N 3.01Å; S245-I248 PolarHBondContact O-N 3.41Å; I248-A252 HydrophobicContact CG2-CB 3.76Å; I248-A255 HydrophobicContact CG2-CB 4.45Å; I248-R256 HydrophobicContact CB-CG 4.04Å; I248-R256 HydrophobicContact CG2-CG 3.84Å; I248-R256 PolarHBondContact O-NE 2.78Å; I248-R256 PolarHBondContact O-NH2 3.16Å
249S81.1Confident88.1Confident68 Ų6852.5 Ų52.548%0.47631%0.306SS..  trans-64.2144.117869.10000112.5S251 A252S249-S251 PolarHBondContact O-N 2.89Å; S249-S251 PolarHBondContact OG-OG 2.95Å; S249-A252 PolarHBondContact O-N 3.19Å
250Q74Confident87.8Confident56 Ų5652.8 Ų52.826%0.26231%0.309SS..THydrogen-bonded Turntrans-55.2-22.3175.750.9174.3-32.900114.3A252 D402Q250-A252 VanDerWaalsContact C-N 3.3Å; Q250-A252 PolarHBondContact O-N 3.03Å; Q250-D402 PolarHBondContact NE2-OD1 2.71Å
251S75.5Confident87.8Confident99 Ų9955.8 Ų55.869%0.69232%0.319SS*.THydrogen-bonded Turntrans-72-21175.549.50000113.8S249 V253S249-S251 PolarHBondContact O-N 2.89Å; S249-S251 PolarHBondContact OG-OG 2.95Å; S251-V253 VanDerWaalsContact C-N 3.27Å; S251-V253 PolarHBondContact O-N 2.67Å; S251-V253 VanDerWaalsContact O-N 3.16Å
252A86.6Confident87.9Confident33 Ų3354.6 Ų54.627%0.27332%0.317SS..  trans-9056.9179.700000111.6I248 S249 Q250 P254 A255 R256I248-A252 HydrophobicContact CG2-CB 3.76Å; S249-A252 PolarHBondContact O-N 3.19Å; Q250-A252 VanDerWaalsContact C-N 3.3Å; Q250-A252 PolarHBondContact O-N 3.03Å; A252-P254 VanDerWaalsContact C-CD 3.45Å; A252-A255 HydrophobicContact CB-CB 4.41Å; A252-A255 PolarHBondContact O-N 2.88Å; A252-A255 VanDerWaalsContact O-N 3.14Å; A252-R256 PolarHBondContact O-N 2.57Å
253V86.3Confident87.9Confident50 Ų5054.9 Ų54.930%0.30332%0.319SS..Hα-helixtrans-48.5-48.4-178.91690000113.5S251 A255 R256 V257 Y305S251-V253 VanDerWaalsContact C-N 3.27Å; S251-V253 PolarHBondContact O-N 2.67Å; S251-V253 VanDerWaalsContact O-N 3.16Å; V253-A255 VanDerWaalsContact C-N 3.27Å; V253-A255 PolarHBondContact O-N 2.77Å; V253-R256 PolarHBondContact O-N 2.78Å; V253-V257 HydrophobicContact CG1-CG2 4.19Å; V253-V257 WeakPolarHBondContact O-CG2 3.4Å; V253-V257 PolarHBondContact O-N 3.48Å; V253-Y305 VanDerWaalsContact CG1-OH 3.23Å; V253-Y305 WeakPolarHBondContact CG1-OH 3.37Å; V253-Y305 WeakPolarHBondContact CG2-OH 3.3Å
254P88.6Confident88Confident102 Ų10253.7 Ų53.766%0.66232%0.317SS*.Hα-helixtrans-61.9-34.9-177-22.834.9000113.2A252 S258A252-P254 VanDerWaalsContact C-CD 3.45Å; P254-S258 WeakPolarHBondContact O-CB 3.4Å; P254-S258 PolarHBondContact O-N 3.37Å; P254-S258 VanDerWaalsContact O-N 3.09Å
255A88.8Confident88.2Confident49 Ų4955.4 Ų55.441%0.40532%0.323SS..Hα-helixtrans-71.2-46.1-179.300000111.6I248 A252 V253 L259I248-A255 HydrophobicContact CG2-CB 4.45Å; A252-A255 HydrophobicContact CB-CB 4.41Å; A252-A255 PolarHBondContact O-N 2.88Å; A252-A255 VanDerWaalsContact O-N 3.14Å; V253-A255 VanDerWaalsContact C-N 3.27Å; V253-A255 PolarHBondContact O-N 2.77Å; A255-L259 VanDerWaalsContact O-CB 3.3Å; A255-L259 WeakPolarHBondContact O-CB 3.49Å; A255-L259 PolarHBondContact O-N 3Å
256R89.3Confident88.6Confident3 Ų357.8 Ų57.81%0.01134%0.338CS..Hα-helixtrans-65.8-45.3179.6-72.1-167.3177.9-157.611.2111.9S245 I248 A252 V253 L259 G260 Y305 D405S245-R256 PolarHBondContact O-NE 3.19Å; I248-R256 HydrophobicContact CB-CG 4.04Å; I248-R256 HydrophobicContact CG2-CG 3.84Å; I248-R256 PolarHBondContact O-NE 2.78Å; I248-R256 PolarHBondContact O-NH2 3.16Å; A252-R256 PolarHBondContact O-N 2.57Å; V253-R256 PolarHBondContact O-N 2.78Å; R256-L259 PolarHBondContact O-N 3.48Å; R256-G260 PolarHBondContact O-N 3Å; R256-Y305 HydrophobicContact CB-CD2 3.85Å; R256-Y305 HydrophobicContact CB-CE2 3.81Å; R256-Y305 HydrophobicContact CB-CG 4.22Å; R256-Y305 VanDerWaalsContact CD-CE2 3.48Å; R256-Y305 HydrophobicContact CG-CD2 4.21Å; R256-Y305 HydrophobicContact CG-CE2 4.26Å; R256-D405 IonicContact CZ-OD1 2.99Å; R256-D405 IonicContact CZ-OD2 2.78Å; R256-D405 IonicContact NH1-OD1 2.79Å; R256-D405 PolarHBondContact NH1-OD1 3.21Å; R256-D405 IonicContact NH1-OD2 3.79Å; R256-D405 IonicContact NH2-OD1 3.27Å; R256-D405 PolarHBondContact NH2-OD1 2.99Å; R256-D405 IonicContact NH2-OD2 3.59Å; R256-D405 PolarHBondContact NH2-OD2 3.03Å
257V90.1Very high88.8Confident52 Ų5257.8 Ų57.832%0.31534%0.338SS..Hα-helixtrans-63.8-46.1178.61750000111.2V253 L259 G260 I261 Y305V253-V257 HydrophobicContact CG1-CG2 4.19Å; V253-V257 WeakPolarHBondContact O-CG2 3.4Å; V253-V257 PolarHBondContact O-N 3.48Å; V257-L259 PolarHBondContact O-N 2.7Å; V257-G260 PolarHBondContact O-N 2.95Å; V257-I261 HydrophobicContact CG1-CD1 3.61Å; V257-I261 HydrophobicContact CG1-CG1 4.32Å; V257-I261 WeakPolarHBondContact O-CG1 3.19Å; V257-I261 PolarHBondContact O-N 3.32Å; V257-Y305 HydrophobicContact CG2-CD1 4.32Å; V257-Y305 HydrophobicContact CG2-CE1 3.4Å; V257-Y305 VanDerWaalsContact CG2-CE1 3.4Å
258S91.9Very high89.1Confident68 Ų6851.7 Ų51.748%0.47632%0.32SS..Hα-helixtrans-60.7-46.5178.9-177.30000111.6P254 T262P254-S258 WeakPolarHBondContact O-CB 3.4Å; P254-S258 PolarHBondContact O-N 3.37Å; P254-S258 VanDerWaalsContact O-N 3.09Å; S258-T262 WeakPolarHBondContact O-CB 3.21Å; S258-T262 PolarHBondContact O-N 2.94Å; S258-T262 PolarHBondContact O-OG1 3.24Å
259L91.2Very high89.4Confident42 Ų4253.8 Ų53.822%0.2234%0.335CS..Hα-helixtrans-63.7-43.2177.7-175.6146.6000112V244 A255 R256 V257 T262 T263V244-L259 HydrophobicContact CB-CD1 4.29Å; V244-L259 HydrophobicContact CG1-CD1 4.35Å; A255-L259 VanDerWaalsContact O-CB 3.3Å; A255-L259 WeakPolarHBondContact O-CB 3.49Å; A255-L259 PolarHBondContact O-N 3Å; R256-L259 PolarHBondContact O-N 3.48Å; V257-L259 PolarHBondContact O-N 2.7Å; L259-T262 PolarHBondContact O-N 3.34Å; L259-T263 HydrophobicContact CD2-CG2 4.36Å; L259-T263 WeakPolarHBondContact O-CB 3.12Å; L259-T263 VanDerWaalsContact O-CG2 3.29Å; L259-T263 WeakPolarHBondContact O-CG2 3.3Å; L259-T263 PolarHBondContact O-N 3.26Å; L259-T263 PolarHBondContact O-OG1 2.98Å
260G91.1Very high89.9Confident7 Ų752.2 Ų52.27%0.07232%0.321CS..Hα-helixtrans-63.6-47.1177.800000113.2R256 V257 T263 V264R256-G260 PolarHBondContact O-N 3Å; V257-G260 PolarHBondContact O-N 2.95Å; G260-T263 WeakPolarHBondContact CA-OG1 3.29Å; G260-T263 PolarHBondContact O-N 2.86Å; G260-T263 PolarHBondContact O-OG1 3.1Å; G260-V264 WeakPolarHBondContact O-CG2 3.38Å; G260-V264 PolarHBondContact O-N 3.27Å; G260-V264 VanDerWaalsContact O-N 3.13Å
261I92.3Very high90.7Very high99 Ų9950.6 Ų50.651%0.50831%0.314SS..Hα-helixtrans-65.4-43.1177.6-66.5172.4000110.6V257 T263 V264 L265V257-I261 HydrophobicContact CG1-CD1 3.61Å; V257-I261 HydrophobicContact CG1-CG1 4.32Å; V257-I261 WeakPolarHBondContact O-CG1 3.19Å; V257-I261 PolarHBondContact O-N 3.32Å; I261-T263 PolarHBondContact O-N 2.88Å; I261-V264 PolarHBondContact O-N 3.37Å; I261-L265 WeakPolarHBondContact O-CB 3.45Å; I261-L265 PolarHBondContact O-N 2.66Å
262T94Very high91.3Very high70 Ų7050.4 Ų50.443%0.42931%0.309SS..Hα-helixtrans-64-40.6-179.2-57.20000111.4S258 L259 L265 T266S258-T262 WeakPolarHBondContact O-CB 3.21Å; S258-T262 PolarHBondContact O-N 2.94Å; S258-T262 PolarHBondContact O-OG1 3.24Å; L259-T262 PolarHBondContact O-N 3.34Å; T262-L265 PolarHBondContact O-N 3.16Å; T262-T266 HydrophobicContact CG2-CG2 4.36Å; T262-T266 WeakPolarHBondContact O-CB 3.24Å; T262-T266 WeakPolarHBondContact O-CG2 3.43Å; T262-T266 PolarHBondContact O-N 3.32Å; T262-T266 PolarHBondContact O-OG1 2.98Å
263T93.9Very high91.4Very high7 Ų752.3 Ų52.34%0.04332%0.32CS..Hα-helixtrans-67.2-40.4177.347.60000112.5M241 L259 G260 I261 T266 M267M241-T263 HydrophobicContact CB-CG2 4.37Å; L259-T263 HydrophobicContact CD2-CG2 4.36Å; L259-T263 WeakPolarHBondContact O-CB 3.12Å; L259-T263 VanDerWaalsContact O-CG2 3.29Å; L259-T263 WeakPolarHBondContact O-CG2 3.3Å; L259-T263 PolarHBondContact O-N 3.26Å; L259-T263 PolarHBondContact O-OG1 2.98Å; G260-T263 WeakPolarHBondContact CA-OG1 3.29Å; G260-T263 PolarHBondContact O-N 2.86Å; G260-T263 PolarHBondContact O-OG1 3.1Å; I261-T263 PolarHBondContact O-N 2.88Å; T263-T266 VanDerWaalsContact CA-OG1 3.29Å; T263-T266 WeakPolarHBondContact CA-OG1 3.36Å; T263-T266 PolarHBondContact O-OG1 3.13Å; T263-M267 VanDerWaalsContact O-CB 3.27Å; T263-M267 WeakPolarHBondContact O-CB 3.49Å; T263-M267 PolarHBondContact O-N 3.37Å
264V94.4Very high91.3Very high23 Ų2350.6 Ų50.614%0.13931%0.311CS..Hα-helixtrans-64-44.9173.5173.50000111.3G260 I261 M267 T268 Y295 V298G260-V264 WeakPolarHBondContact O-CG2 3.38Å; G260-V264 PolarHBondContact O-N 3.27Å; G260-V264 VanDerWaalsContact O-N 3.13Å; I261-V264 PolarHBondContact O-N 3.37Å; V264-M267 PolarHBondContact O-N 2.94Å; V264-T268 WeakPolarHBondContact O-CB 3.23Å; V264-T268 PolarHBondContact O-N 3.36Å; V264-T268 PolarHBondContact O-OG1 2.77Å; V264-Y295 HydrophobicContact CG1-CE2 4.03Å; V264-V298 HydrophobicContact CG2-CG1 3.72Å
265L94.5Very high91Very high106 Ų10651.3 Ų51.356%0.55530%0.3SS*.Hα-helixtrans-62.6-48.6179177.861.8000111.1I261 T262 M267 T268 T269I261-L265 WeakPolarHBondContact O-CB 3.45Å; I261-L265 PolarHBondContact O-N 2.66Å; T262-L265 PolarHBondContact O-N 3.16Å; L265-M267 VanDerWaalsContact C-N 3.34Å; L265-M267 PolarHBondContact O-N 3.33Å; L265-T268 WeakPolarHBondContact O-CB 3.38Å; L265-T268 PolarHBondContact O-N 2.68Å; L265-T269 PolarHBondContact O-N 2.84Å; L265-T269 PolarHBondContact O-OG1 3.2Å
266T94.8Very high90.7Very high55 Ų5553.6 Ų53.634%0.33731%0.314SS..Hα-helixtrans-63.3-38.9178.844.20000112.3L238 T262 T263 T269 L270L238-T266 VanDerWaalsContact CD2-OG1 3.26Å; L238-T266 WeakPolarHBondContact CD2-OG1 3.36Å; T262-T266 HydrophobicContact CG2-CG2 4.36Å; T262-T266 WeakPolarHBondContact O-CB 3.24Å; T262-T266 WeakPolarHBondContact O-CG2 3.43Å; T262-T266 PolarHBondContact O-N 3.32Å; T262-T266 PolarHBondContact O-OG1 2.98Å; T263-T266 VanDerWaalsContact CA-OG1 3.29Å; T263-T266 WeakPolarHBondContact CA-OG1 3.36Å; T263-T266 PolarHBondContact O-OG1 3.13Å; T266-T269 PolarHBondContact O-N 3.04Å; T266-L270 WeakPolarHBondContact O-CB 3.31Å; T266-L270 PolarHBondContact O-N 3.32Å
267M93.6Very high90Very high1 Ų156.8 Ų56.81%0.00534%0.336CS..Hα-helixtrans-62.2-42.9172.8-172.964.2-165.900112L238 T263 V264 L265 L270 M271 F291 C294 Y295L238-M267 HydrophobicContact CD1-CB 4.49Å; L238-M267 HydrophobicContact CD1-SD 4.12Å; T263-M267 VanDerWaalsContact O-CB 3.27Å; T263-M267 WeakPolarHBondContact O-CB 3.49Å; T263-M267 PolarHBondContact O-N 3.37Å; V264-M267 PolarHBondContact O-N 2.94Å; L265-M267 VanDerWaalsContact C-N 3.34Å; L265-M267 PolarHBondContact O-N 3.33Å; M267-L270 PolarHBondContact O-N 2.86Å; M267-M271 PolarHBondContact O-N 3.48Å; M267-F291 HydrophobicContact CE-CB 3.9Å; M267-F291 HydrophobicContact CE-CD1 3.72Å; M267-F291 HydrophobicContact CE-CG 4.2Å; M267-F291 WeakPolarHBondContact CE-O 3.07Å; M267-C294 HydrophobicContact CE-CB 3.33Å; M267-C294 HydrophobicContact SD-CB 4.14Å; M267-Y295 HydrophobicContact CG-CD2 4.07Å
268T93.1Very high89.5Confident53 Ų5354.9 Ų54.933%0.32532%0.324SS..Hα-helixtrans-62.8-44.7176.7-53.10000111V264 L265 L270 M271 V272V264-T268 WeakPolarHBondContact O-CB 3.23Å; V264-T268 PolarHBondContact O-N 3.36Å; V264-T268 PolarHBondContact O-OG1 2.77Å; L265-T268 WeakPolarHBondContact O-CB 3.38Å; L265-T268 PolarHBondContact O-N 2.68Å; T268-L270 PolarHBondContact O-N 2.73Å; T268-M271 PolarHBondContact O-N 2.95Å; T268-V272 WeakPolarHBondContact O-CG2 3.49Å; T268-V272 PolarHBondContact O-N 2.86Å
269T93Very high88.7Confident86 Ų8652.4 Ų52.453%0.52831%0.306SS..Hα-helixtrans-61.1-43.8177.2-58.80000111.7L265 T266 V272 S273L265-T269 PolarHBondContact O-N 2.84Å; L265-T269 PolarHBondContact O-OG1 3.2Å; T266-T269 PolarHBondContact O-N 3.04Å; T269-V272 PolarHBondContact O-N 3.48Å; T269-S273 WeakPolarHBondContact O-CB 3.48Å; T269-S273 PolarHBondContact O-N 3.35Å
270L91.6Very high87.3Confident35 Ų3562.6 Ų62.618%0.18334%0.342CS..Hα-helixtrans-62-44.7177.6-176.763.2000111.6P234 S235 L238 T266 M267 T268 S273 A274 F291P234-L270 HydrophobicContact CB-CD2 4.17Å; S235-L270 VanDerWaalsContact OG-CD2 3.3Å; S235-L270 WeakPolarHBondContact OG-CD2 3.35Å; L238-L270 HydrophobicContact CD1-CD2 4.01Å; T266-L270 WeakPolarHBondContact O-CB 3.31Å; T266-L270 PolarHBondContact O-N 3.32Å; M267-L270 PolarHBondContact O-N 2.86Å; T268-L270 PolarHBondContact O-N 2.73Å; L270-S273 PolarHBondContact O-N 3.25Å; L270-A274 WeakPolarHBondContact O-CB 3.44Å; L270-A274 PolarHBondContact O-N 3.09Å; L270-F291 HydrophobicContact CD2-CE1 4.29Å; L270-F291 HydrophobicContact CG-CE1 4.31Å
271M89.6Confident85.8Confident22 Ų2267.2 Ų67.211%0.10838%0.38CS..Hα-helixtrans-61.4-45.1177.6-175.8-172.9-174.500112.2M267 T268 R275 F291M267-M271 PolarHBondContact O-N 3.48Å; T268-M271 PolarHBondContact O-N 2.95Å; M271-R275 WeakPolarHBondContact O-CG 3.44Å; M271-R275 PolarHBondContact O-N 2.81Å; M271-R275 VanDerWaalsContact O-N 3.13Å; M271-F291 HydrophobicContact CB-CB 4.41Å; M271-F291 HydrophobicContact CB-CD2 4.17Å; M271-F291 HydrophobicContact CB-CG 4.34Å; M271-F291 HydrophobicContact CG-CB 4.05Å; M271-F291 HydrophobicContact CG-CD2 3.87Å; M271-F291 HydrophobicContact CG-CG 4.23Å; M271-F291 HydrophobicContact SD-CB 4.43Å
272V89.3Confident84.3Confident96 Ų9664.1 Ų64.158%0.58237%0.367SS*.Hα-helixtrans-65.7-42178.2171.60000111.2T268 T269 R275 S276T268-V272 WeakPolarHBondContact O-CG2 3.49Å; T268-V272 PolarHBondContact O-N 2.86Å; T269-V272 PolarHBondContact O-N 3.48Å; V272-R275 PolarHBondContact O-N 2.8Å; V272-S276 PolarHBondContact O-N 2.78Å
273S88.2Confident83.2Confident73 Ų7364.3 Ų64.351%0.5138%0.376SS..Hα-helixtrans-60.4-48.4177.2177.70000111.4T269 L270 R275 S276T269-S273 WeakPolarHBondContact O-CB 3.48Å; T269-S273 PolarHBondContact O-N 3.35Å; L270-S273 PolarHBondContact O-N 3.25Å; S273-R275 VanDerWaalsContact C-N 3.28Å; S273-R275 PolarHBondContact O-N 2.82Å; S273-S276 WeakPolarHBondContact O-CB 3.42Å; S273-S276 PolarHBondContact O-N 2.05Å; S273-S276 VanDerWaalsContact O-N 3.16Å; S273-S276 PolarHBondContact O-OG 3.19Å
274A84.4Confident82.7Confident14 Ų1470.2 Ų70.212%0.11641%0.405CS..Hα-helixtrans-65.5-28.5179.600000113.7L270 S277 L287 F291L270-A274 WeakPolarHBondContact O-CB 3.44Å; L270-A274 PolarHBondContact O-N 3.09Å; A274-S277 PolarHBondContact O-OG 2.97Å; A274-L287 HydrophobicContact CB-CD2 4.36Å; A274-F291 HydrophobicContact CB-CE2 3.43Å; A274-F291 VanDerWaalsContact CB-CE2 3.43Å; A274-F291 HydrophobicContact CB-CZ 3.62Å
275R82.6Confident82.5Confident116 Ų11669.4 Ų69.444%0.43840%0.4SS..Hα-helixtrans-77.9-20.8175.7-78.2179.2142.5-164.7-14.4113.9M271 V272 S273 S277 L278 D288M271-R275 WeakPolarHBondContact O-CG 3.44Å; M271-R275 PolarHBondContact O-N 2.81Å; M271-R275 VanDerWaalsContact O-N 3.13Å; V272-R275 PolarHBondContact O-N 2.8Å; S273-R275 VanDerWaalsContact C-N 3.28Å; S273-R275 PolarHBondContact O-N 2.82Å; R275-S277 VanDerWaalsContact C-N 3.27Å; R275-S277 PolarHBondContact O-N 3.41Å; R275-L278 PolarHBondContact O-N 2.95Å; R275-D288 WeakPolarHBondContact CG-OD1 3.32Å; R275-D288 IonicContact CZ-OD1 2.8Å; R275-D288 IonicContact CZ-OD2 3.48Å; R275-D288 VanDerWaalsContact NE-CG 3.31Å; R275-D288 IonicContact NE-OD1 2.75Å; R275-D288 PolarHBondContact NE-OD1 3.44Å; R275-D288 IonicContact NE-OD2 3.53Å; R275-D288 PolarHBondContact NE-OD2 3.48Å; R275-D288 IonicContact NH2-OD1 3.07Å; R275-D288 IonicContact NH2-OD2 3.66Å; R275-D288 PolarHBondContact NH2-OD2 2.85Å
276S82.1Confident82.4Confident98 Ų9864.3 Ų64.369%0.68537%0.373SS*.Hα-helixtrans-68.9-24.4-175700000114V272 S273V272-S276 PolarHBondContact O-N 2.78Å; S273-S276 WeakPolarHBondContact O-CB 3.42Å; S273-S276 PolarHBondContact O-N 2.05Å; S273-S276 VanDerWaalsContact O-N 3.16Å; S273-S276 PolarHBondContact O-OG 3.19Å
277S74.2Confident82.2Confident69 Ų6961.9 Ų61.948%0.48336%0.358SS..THydrogen-bonded Turntrans-88.91.6-179.653.30000114.1A274 R275A274-S277 PolarHBondContact O-OG 2.97Å; R275-S277 VanDerWaalsContact C-N 3.27Å; R275-S277 PolarHBondContact O-N 3.41Å
278L79.1Confident82.1Confident12 Ų1262.2 Ų62.26%0.06336%0.36CS..SBendtrans-123.1154-174.3-65.2171.1000111.3Y148 R275 R280 K285Y148-L278 HydrophobicContact CD1-CD1 3.8Å; Y148-L278 HydrophobicContact CD2-CD2 4.2Å; Y148-L278 HydrophobicContact CE1-CD1 3.5Å; Y148-L278 HydrophobicContact CE1-CD2 4.31Å; Y148-L278 HydrophobicContact CE1-CG 4.45Å; Y148-L278 HydrophobicContact CE2-CD1 4.38Å; Y148-L278 HydrophobicContact CE2-CD2 3.7Å; Y148-L278 HydrophobicContact CG-CD1 4.37Å; R275-L278 PolarHBondContact O-N 2.95Å; L278-R280 PolarHBondContact O-N 2.82Å; L278-K285 HydrophobicContact CD1-CD 3.62Å
279P75.1Confident82.1Confident16 Ų1661.6 Ų61.610%0.10436%0.356CS..  trans-58.9126.6179.121.7-33000111.7E57 M60 L145 A281 S282E57-P279 WeakPolarHBondContact O-CD 3.45Å; E57-P279 VanDerWaalsContact O-CG 3.23Å; E57-P279 WeakPolarHBondContact O-CG 3.36Å; M60-P279 HydrophobicContact CE-CG 4.24Å; L145-P279 HydrophobicContact CD1-CG 3.63Å; P279-A281 PolarHBondContact O-N 3.29Å; P279-S282 PolarHBondContact O-N 3.26Å; P279-S282 PolarHBondContact O-OG 2.67Å
280R61.5Low82.2Confident256 Ų25657.6 Ų57.697%0.96633%0.331SS*.THydrogen-bonded Turntrans-61.1-25.7-177.9-74.3-177.4168.9173.9-2.5114.5L278L278-R280 PolarHBondContact O-N 2.82Å
281A60.4Low82.3Confident105 Ų10555.9 Ų55.987%0.86832%0.323SS*.THydrogen-bonded Turntrans-92.61-176.800000113.9P279P279-A281 PolarHBondContact O-N 3.29Å
282S61.2Low82.6Confident34 Ų3461.6 Ų61.624%0.23834%0.343CS..SBendtrans-76.8144.1-17856.80000111.9P279 K285P279-S282 PolarHBondContact O-N 3.26Å; P279-S282 PolarHBondContact O-OG 2.67Å; S282-K285 VanDerWaalsContact CB-NZ 3.33Å; S282-K285 WeakPolarHBondContact OG-CE 3.12Å; S282-K285 PolarHBondContact OG-NZ 2.89Å
283A70.4Confident82.9Confident74 Ų7458.7 Ų58.761%0.61232%0.324SS*.PPolyproline II helixtrans-51164.1176.700000112.9K285A283-K285 WeakPolarHBondContact O-CG 3.39Å; A283-K285 PolarHBondContact O-N 2.92Å; A283-K285 VanDerWaalsContact O-N 3.15Å
284I84.1Confident83.3Confident130 Ų13055.2 Ų55.267%0.66730%0.3SS*.PPolyproline II helixtrans-53.6122.3176.9-62.4173.5000109.4V289I284-V289 HydrophobicContact CG2-CG2 3.59Å
285K89.8Confident83.8Confident6 Ų657.6 Ų57.63%0.02631%0.306CS..PPolyproline II helixtrans-91.9155.1-178.4-53.4-178.8-174.4-64.70111.1S146 Y148 L278 S282 A283 L287 D288 V289S146-K285 CarbonylContact O-C 3.58Å; S146-K285 WeakPolarHBondContact O-CA 3.36Å; Y148-K285 HydrophobicContact CD1-CD 4.3Å; Y148-K285 HydrophobicContact CG-CD 4.42Å; L278-K285 HydrophobicContact CD1-CD 3.62Å; S282-K285 VanDerWaalsContact CB-NZ 3.33Å; S282-K285 WeakPolarHBondContact OG-CE 3.12Å; S282-K285 PolarHBondContact OG-NZ 2.89Å; A283-K285 WeakPolarHBondContact O-CG 3.39Å; A283-K285 PolarHBondContact O-N 2.92Å; A283-K285 VanDerWaalsContact O-N 3.15Å; K285-L287 VanDerWaalsContact C-N 3.27Å; K285-L287 PolarHBondContact O-N 2.89Å; K285-D288 HydrophobicContact CB-CB 4.41Å; K285-D288 WeakPolarHBondContact O-CB 3.39Å; K285-D288 PolarHBondContact O-N 3.27Å; K285-V289 PolarHBondContact O-N 2.79Å; K285-V289 VanDerWaalsContact O-N 3.07Å
286A92.3Very high84.4Confident0 Ų056.2 Ų56.20%031%0.31CS..Hα-helixtrans-51.1-47.8170.400000111.8S146 M150 D288 V289 Y290 Y423 Y427S146-A286 PolarHBondContact O-N 3.46Å; M150-A286 HydrophobicContact CE-CB 4.15Å; A286-D288 VanDerWaalsContact C-N 3.31Å; A286-D288 PolarHBondContact O-N 3.48Å; A286-V289 WeakPolarHBondContact O-CB 3.45Å; A286-V289 PolarHBondContact O-N 2.72Å; A286-V289 VanDerWaalsContact O-N 3.12Å; A286-Y290 PolarHBondContact O-N 2.85Å; A286-Y423 PolarHBondContact O-OH 2.77Å; A286-Y427 HydrophobicContact CB-CD1 3.27Å; A286-Y427 HydrophobicContact CB-CD2 4.31Å; A286-Y427 HydrophobicContact CB-CE1 3.45Å; A286-Y427 VanDerWaalsContact CB-CE1 3.45Å; A286-Y427 HydrophobicContact CB-CE2 4.46Å; A286-Y427 HydrophobicContact CB-CG 3.73Å
287L91.9Very high85Confident3 Ų353 Ų532%0.01628%0.284CS..Hα-helixtrans-58.1-39.1176.5-174.566.1000113.5Y148 Y232 A274 K285 Y290 F291Y148-L287 HydrophobicContact CD1-CB 4.21Å; Y148-L287 HydrophobicContact CD1-CD2 4.18Å; Y148-L287 HydrophobicContact CE1-CD2 3.82Å; Y148-L287 PolarHBondContact O-N 2.73Å; Y232-L287 HydrophobicContact CD2-CD1 4.16Å; Y232-L287 HydrophobicContact CE1-CD1 4.38Å; Y232-L287 HydrophobicContact CE2-CD1 3.55Å; A274-L287 HydrophobicContact CB-CD2 4.36Å; K285-L287 VanDerWaalsContact C-N 3.27Å; K285-L287 PolarHBondContact O-N 2.89Å; L287-Y290 WeakPolarHBondContact O-CB 3.19Å; L287-Y290 PolarHBondContact O-N 2.81Å; L287-F291 HydrophobicContact CD1-CE1 4.26Å; L287-F291 HydrophobicContact CD1-CE2 4.04Å; L287-F291 HydrophobicContact CD1-CZ 3.84Å; L287-F291 HydrophobicContact CD2-CE2 3.91Å; L287-F291 HydrophobicContact CD2-CZ 4.18Å; L287-F291 HydrophobicContact CG-CD2 4.16Å; L287-F291 HydrophobicContact CG-CE2 3.61Å; L287-F291 HydrophobicContact CG-CZ 3.93Å; L287-F291 WeakPolarHBondContact O-CD2 3.24Å; L287-F291 WeakPolarHBondContact O-CG 3.24Å; L287-F291 PolarHBondContact O-N 2.96Å
288D91.2Very high86Confident9 Ų949.7 Ų49.75%0.04826%0.261CS..Hα-helixtrans-65.4-41177.1-79.2-17.6000111.3R275 K285 A286 Y290 F291 W292R275-D288 WeakPolarHBondContact CG-OD1 3.32Å; R275-D288 IonicContact CZ-OD1 2.8Å; R275-D288 IonicContact CZ-OD2 3.48Å; R275-D288 VanDerWaalsContact NE-CG 3.31Å; R275-D288 IonicContact NE-OD1 2.75Å; R275-D288 PolarHBondContact NE-OD1 3.44Å; R275-D288 IonicContact NE-OD2 3.53Å; R275-D288 PolarHBondContact NE-OD2 3.48Å; R275-D288 IonicContact NH2-OD1 3.07Å; R275-D288 IonicContact NH2-OD2 3.66Å; R275-D288 PolarHBondContact NH2-OD2 2.85Å; K285-D288 HydrophobicContact CB-CB 4.41Å; K285-D288 WeakPolarHBondContact O-CB 3.39Å; K285-D288 PolarHBondContact O-N 3.27Å; A286-D288 VanDerWaalsContact C-N 3.31Å; A286-D288 PolarHBondContact O-N 3.48Å; D288-Y290 VanDerWaalsContact C-N 3.31Å; D288-Y290 PolarHBondContact O-N 2.86Å; D288-F291 PolarHBondContact O-N 3.14Å; D288-W292 VanDerWaalsContact O-CD1 3.31Å; D288-W292 PolarHBondContact O-N 3.02Å
289V93.1Very high86.8Confident40 Ų4053.9 Ų53.924%0.24228%0.279CS..Hα-helixtrans-61.5-42.9175.1176.10000110.4I284 K285 A286 F291 W292 I293I284-V289 HydrophobicContact CG2-CG2 3.59Å; K285-V289 PolarHBondContact O-N 2.79Å; K285-V289 VanDerWaalsContact O-N 3.07Å; A286-V289 WeakPolarHBondContact O-CB 3.45Å; A286-V289 PolarHBondContact O-N 2.72Å; A286-V289 VanDerWaalsContact O-N 3.12Å; V289-F291 PolarHBondContact O-N 3.17Å; V289-W292 PolarHBondContact O-N 2.92Å; V289-I293 HydrophobicContact CG1-CD1 4.09Å; V289-I293 WeakPolarHBondContact O-CG1 3.47Å; V289-I293 PolarHBondContact O-N 2.94Å
290Y94.9Very high87.7Confident1 Ų154.8 Ų54.80%0.00429%0.287CS..Hα-helixtrans-61.9-44177-168.4-101.6000112.7Y232 I236 A286 L287 D288 W292 I293 C294 N420 Y423Y232-Y290 AromaticContact CD1-CD1 3.49Å; Y232-Y290 HydrophobicContact CD1-CD1 3.49Å; Y232-Y290 VanDerWaalsContact CD1-CD1 3.49Å; Y232-Y290 HydrophobicContact CD1-CD2 4.11Å; Y232-Y290 AromaticContact CD1-CE1 3.43Å; Y232-Y290 HydrophobicContact CD1-CE1 3.43Å; Y232-Y290 VanDerWaalsContact CD1-CE1 3.43Å; Y232-Y290 HydrophobicContact CD1-CE2 4.06Å; Y232-Y290 AromaticContact CD1-CG 3.83Å; Y232-Y290 HydrophobicContact CD1-CG 3.83Å; Y232-Y290 AromaticContact CD1-CZ 3.74Å; Y232-Y290 AromaticContact CE1-CD1 3.62Å; Y232-Y290 HydrophobicContact CE1-CD1 3.62Å; Y232-Y290 AromaticContact CE1-CD2 3.85Å; Y232-Y290 HydrophobicContact CE1-CD2 3.85Å; Y232-Y290 HydrophobicContact CE1-CE1 4.03Å; Y232-Y290 HydrophobicContact CE1-CE2 4.24Å; Y232-Y290 AromaticContact CE1-CG 3.51Å; Y232-Y290 HydrophobicContact CE1-CG 3.51Å; Y232-Y290 HydrophobicContact CG-CD1 4.43Å; Y232-Y290 HydrophobicContact CG-CE1 4.28Å; I236-Y290 WeakPolarHBondContact CD1-OH 3.33Å; I236-Y290 WeakPolarHBondContact CG1-OH 3.27Å; A286-Y290 PolarHBondContact O-N 2.85Å; L287-Y290 WeakPolarHBondContact O-CB 3.19Å; L287-Y290 PolarHBondContact O-N 2.81Å; D288-Y290 VanDerWaalsContact C-N 3.31Å; D288-Y290 PolarHBondContact O-N 2.86Å; Y290-W292 VanDerWaalsContact C-N 3.31Å; Y290-W292 PolarHBondContact O-N 2.97Å; Y290-I293 WeakPolarHBondContact O-CB 3.33Å; Y290-I293 PolarHBondContact O-N 2.86Å; Y290-C294 VanDerWaalsContact CE1-SG 3.58Å; Y290-C294 PolarHBondContact O-N 2.9Å; Y290-N420 WeakPolarHBondContact CE2-OD1 3.33Å; Y290-N420 PolarHBondContact OH-OD1 3.15Å; Y290-N420 VanDerWaalsContact OH-OD1 3.06Å; Y290-Y423 AromaticContact CD2-CD1 3.64Å; Y290-Y423 HydrophobicContact CD2-CD1 3.64Å; Y290-Y423 HydrophobicContact CD2-CD2 4.03Å; Y290-Y423 AromaticContact CD2-CE1 3.62Å; Y290-Y423 HydrophobicContact CD2-CE1 3.62Å; Y290-Y423 AromaticContact CD2-CE2 4Å; Y290-Y423 HydrophobicContact CD2-CE2 4Å; Y290-Y423 AromaticContact CD2-CG 3.87Å; Y290-Y423 HydrophobicContact CD2-CG 3.87Å; Y290-Y423 AromaticContact CD2-CZ 3.81Å; Y290-Y423 HydrophobicContact CE2-CD1 4.11Å; Y290-Y423 HydrophobicContact CE2-CE1 4.33Å; Y290-Y423 HydrophobicContact CE2-CG 4.48Å; Y290-Y423 HydrophobicContact CG-CE1 4.23Å; Y290-Y423 HydrophobicContact CG-CE2 4.36Å
291F94Very high89.1Confident0 Ų042.7 Ų42.70%024%0.243CC..Hα-helixtrans-62.2-39.7174.9-69.8-37.1000111.9S235 M267 L270 M271 A274 L287 D288 V289 C294 Y295S235-F291 VanDerWaalsContact OG-CE1 3.27Å; S235-F291 WeakPolarHBondContact OG-CE1 3.32Å; M267-F291 HydrophobicContact CE-CB 3.9Å; M267-F291 HydrophobicContact CE-CD1 3.72Å; M267-F291 HydrophobicContact CE-CG 4.2Å; M267-F291 WeakPolarHBondContact CE-O 3.07Å; L270-F291 HydrophobicContact CD2-CE1 4.29Å; L270-F291 HydrophobicContact CG-CE1 4.31Å; M271-F291 HydrophobicContact CB-CB 4.41Å; M271-F291 HydrophobicContact CB-CD2 4.17Å; M271-F291 HydrophobicContact CB-CG 4.34Å; M271-F291 HydrophobicContact CG-CB 4.05Å; M271-F291 HydrophobicContact CG-CD2 3.87Å; M271-F291 HydrophobicContact CG-CG 4.23Å; M271-F291 HydrophobicContact SD-CB 4.43Å; A274-F291 HydrophobicContact CB-CE2 3.43Å; A274-F291 VanDerWaalsContact CB-CE2 3.43Å; A274-F291 HydrophobicContact CB-CZ 3.62Å; L287-F291 HydrophobicContact CD1-CE1 4.26Å; L287-F291 HydrophobicContact CD1-CE2 4.04Å; L287-F291 HydrophobicContact CD1-CZ 3.84Å; L287-F291 HydrophobicContact CD2-CE2 3.91Å; L287-F291 HydrophobicContact CD2-CZ 4.18Å; L287-F291 HydrophobicContact CG-CD2 4.16Å; L287-F291 HydrophobicContact CG-CE2 3.61Å; L287-F291 HydrophobicContact CG-CZ 3.93Å; L287-F291 WeakPolarHBondContact O-CD2 3.24Å; L287-F291 WeakPolarHBondContact O-CG 3.24Å; L287-F291 PolarHBondContact O-N 2.96Å; D288-F291 PolarHBondContact O-N 3.14Å; V289-F291 PolarHBondContact O-N 3.17Å; F291-C294 PolarHBondContact O-N 3.18Å; F291-Y295 VanDerWaalsContact O-CB 3.23Å; F291-Y295 WeakPolarHBondContact O-CB 3.35Å; F291-Y295 PolarHBondContact O-N 3.35Å
292W94.5Very high90.6Very high141 Ų14140 Ų4053%0.53421%0.213SC..Hα-helixtrans-63.1-41.3174.8-89.7111.1000113D288 V289 Y290 Y295 V296D288-W292 VanDerWaalsContact O-CD1 3.31Å; D288-W292 PolarHBondContact O-N 3.02Å; V289-W292 PolarHBondContact O-N 2.92Å; Y290-W292 VanDerWaalsContact C-N 3.31Å; Y290-W292 PolarHBondContact O-N 2.97Å; W292-Y295 HydrophobicContact CE3-CD1 4.23Å; W292-Y295 HydrophobicContact CZ3-CD1 4Å; W292-Y295 HydrophobicContact CZ3-CE1 4.37Å; W292-Y295 PolarHBondContact O-N 3.22Å; W292-V296 WeakPolarHBondContact O-CG2 3.45Å; W292-V296 PolarHBondContact O-N 2.92Å
293I95.6Very high92Very high36 Ų3641.8 Ų41.819%0.18522%0.223CC..Hα-helixtrans-57.1-55.8173.7-70.7165.1000109.7V289 Y290 Y295 V296 F297 V419 Y423V289-I293 HydrophobicContact CG1-CD1 4.09Å; V289-I293 WeakPolarHBondContact O-CG1 3.47Å; V289-I293 PolarHBondContact O-N 2.94Å; Y290-I293 WeakPolarHBondContact O-CB 3.33Å; Y290-I293 PolarHBondContact O-N 2.86Å; I293-Y295 VanDerWaalsContact C-N 3.28Å; I293-Y295 PolarHBondContact O-N 3.03Å; I293-V296 PolarHBondContact O-N 2.8Å; I293-F297 HydrophobicContact CG2-CD2 4.06Å; I293-F297 HydrophobicContact CG2-CE2 4Å; I293-F297 VanDerWaalsContact O-CD2 3.32Å; I293-F297 WeakPolarHBondContact O-CD2 3.45Å; I293-F297 PolarHBondContact O-N 3.29Å; I293-F297 VanDerWaalsContact O-N 3.15Å; I293-V419 HydrophobicContact CD1-CG1 3.95Å; I293-V419 HydrophobicContact CG1-CG1 4.32Å; I293-V419 HydrophobicContact CG2-CG1 3.54Å; I293-Y423 HydrophobicContact CD1-CD2 4.07Å
294C96.3Very high93Very high0 Ų039.1 Ų39.10%020%0.197CC..Hα-helixtrans-57.8-40.8179-72.60000112.1V239 M267 Y290 F291 V296 F297 V298V239-C294 HydrophobicContact CG2-CB 3.68Å; M267-C294 HydrophobicContact CE-CB 3.33Å; M267-C294 HydrophobicContact SD-CB 4.14Å; Y290-C294 VanDerWaalsContact CE1-SG 3.58Å; Y290-C294 PolarHBondContact O-N 2.9Å; F291-C294 PolarHBondContact O-N 3.18Å; C294-V296 PolarHBondContact O-N 2.83Å; C294-F297 PolarHBondContact O-N 3.4Å; C294-V298 WeakPolarHBondContact O-CG2 3.35Å; C294-V298 PolarHBondContact O-N 2.93Å
295Y95Very high93.2Very high64 Ų6433.9 Ų33.925%0.25117%0.17SC..Hα-helixtrans-61-44.5177.8-172-89.5000112V264 M267 F291 W292 I293 F297 V298 F299V264-Y295 HydrophobicContact CG1-CE2 4.03Å; M267-Y295 HydrophobicContact CG-CD2 4.07Å; F291-Y295 VanDerWaalsContact O-CB 3.23Å; F291-Y295 WeakPolarHBondContact O-CB 3.35Å; F291-Y295 PolarHBondContact O-N 3.35Å; W292-Y295 HydrophobicContact CE3-CD1 4.23Å; W292-Y295 HydrophobicContact CZ3-CD1 4Å; W292-Y295 HydrophobicContact CZ3-CE1 4.37Å; W292-Y295 PolarHBondContact O-N 3.22Å; I293-Y295 VanDerWaalsContact C-N 3.28Å; I293-Y295 PolarHBondContact O-N 3.03Å; Y295-F297 VanDerWaalsContact C-N 3.33Å; Y295-F297 PolarHBondContact O-N 3.26Å; Y295-V298 PolarHBondContact O-N 3.4Å; Y295-F299 VanDerWaalsContact O-CB 3.29Å; Y295-F299 WeakPolarHBondContact O-CB 3.45Å; Y295-F299 PolarHBondContact O-N 3.41Å
296V95.7Very high93.2Very high87 Ų8736.4 Ų36.453%0.52719%0.191SC..Hα-helixtrans-61.5-41.4176.6169.60000111.1W292 I293 C294 F299 A300W292-V296 WeakPolarHBondContact O-CG2 3.45Å; W292-V296 PolarHBondContact O-N 2.92Å; I293-V296 PolarHBondContact O-N 2.8Å; C294-V296 PolarHBondContact O-N 2.83Å; V296-F299 PolarHBondContact O-N 2.84Å; V296-A300 WeakPolarHBondContact O-CB 3.19Å; V296-A300 PolarHBondContact O-N 3.16Å
297F95.8Very high93Very high29 Ų2941.7 Ų41.713%0.12721%0.214CC..Hα-helixtrans-65.2-44.1176.8-85-84.1000112.8V239 I293 C294 Y295 A300 A301 F412 A415 F416 V419V239-F297 HydrophobicContact CG1-CB 4.02Å; I293-F297 HydrophobicContact CG2-CD2 4.06Å; I293-F297 HydrophobicContact CG2-CE2 4Å; I293-F297 VanDerWaalsContact O-CD2 3.32Å; I293-F297 WeakPolarHBondContact O-CD2 3.45Å; I293-F297 PolarHBondContact O-N 3.29Å; I293-F297 VanDerWaalsContact O-N 3.15Å; C294-F297 PolarHBondContact O-N 3.4Å; Y295-F297 VanDerWaalsContact C-N 3.33Å; Y295-F297 PolarHBondContact O-N 3.26Å; F297-A300 PolarHBondContact O-N 3.3Å; F297-A301 PolarHBondContact O-N 2.87Å; F297-F412 HydrophobicContact CD1-CD1 4.12Å; F297-A415 HydrophobicContact CE1-CB 4.04Å; F297-A415 HydrophobicContact CZ-CB 4.14Å; F297-F416 HydrophobicContact CD1-CB 4.25Å; F297-F416 HydrophobicContact CD1-CD2 4.37Å; F297-F416 AromaticContact CD2-CD2 3.7Å; F297-F416 HydrophobicContact CD2-CD2 3.7Å; F297-F416 HydrophobicContact CD2-CE2 4.35Å; F297-F416 HydrophobicContact CE1-CB 3.9Å; F297-F416 HydrophobicContact CE1-CD2 4.48Å; F297-F416 AromaticContact CE2-CD2 3.85Å; F297-F416 HydrophobicContact CE2-CD2 3.85Å; F297-F416 AromaticContact CG-CD2 3.99Å; F297-F416 HydrophobicContact CG-CD2 3.99Å; F297-F416 HydrophobicContact CZ-CB 4.05Å; F297-F416 HydrophobicContact CZ-CD2 4.24Å; F297-V419 HydrophobicContact CE2-CG2 4.37Å; F297-V419 HydrophobicContact CZ-CG2 4.34Å
298V95.3Very high92.7Very high1 Ų141.5 Ų41.51%0.00621%0.214CC..Hα-helixtrans-63.6-44.5176.7174.40000110.7V239 V264 C294 Y295 A301 L302V239-V298 HydrophobicContact CG2-CG2 3.98Å; V264-V298 HydrophobicContact CG2-CG1 3.72Å; C294-V298 WeakPolarHBondContact O-CG2 3.35Å; C294-V298 PolarHBondContact O-N 2.93Å; Y295-V298 PolarHBondContact O-N 3.4Å; V298-A301 WeakPolarHBondContact O-CB 3.13Å; V298-A301 PolarHBondContact O-N 2.57Å; V298-L302 PolarHBondContact O-N 2.88Å
299F94.3Very high92.5Very high100 Ų10043.8 Ų43.844%0.43922%0.224SC..Hα-helixtrans-65.1-39.6177.1-174.7-100.8000112Y295 V296 A301 L302 V303Y295-F299 VanDerWaalsContact O-CB 3.29Å; Y295-F299 WeakPolarHBondContact O-CB 3.45Å; Y295-F299 PolarHBondContact O-N 3.41Å; V296-F299 PolarHBondContact O-N 2.84Å; F299-A301 VanDerWaalsContact C-N 3.3Å; F299-A301 PolarHBondContact O-N 2.79Å; F299-L302 WeakPolarHBondContact O-CB 3.41Å; F299-L302 PolarHBondContact O-N 3.06Å; F299-L302 VanDerWaalsContact O-N 3.12Å; F299-V303 HydrophobicContact CD1-CG2 3.97Å; F299-V303 HydrophobicContact CE1-CG2 3.58Å; F299-V303 HydrophobicContact CZ-CG2 3.99Å; F299-V303 WeakPolarHBondContact O-CG2 3.35Å; F299-V303 PolarHBondContact O-N 3.19Å
300A93.9Very high92.3Very high34 Ų3448.3 Ų48.328%0.28124%0.24SC..Hα-helixtrans-62.5-35.4175.700000112.2V296 F297 L302 V303 E304 F412V296-A300 WeakPolarHBondContact O-CB 3.19Å; V296-A300 PolarHBondContact O-N 3.16Å; F297-A300 PolarHBondContact O-N 3.3Å; A300-L302 VanDerWaalsContact C-N 3.34Å; A300-V303 PolarHBondContact O-N 3.01Å; A300-E304 WeakPolarHBondContact O-CB 3.31Å; A300-E304 PolarHBondContact O-N 2.89Å; A300-F412 HydrophobicContact CB-CE1 3.77Å; A300-F412 HydrophobicContact CB-CZ 4.02Å
301A92.1Very high91.8Very high3 Ų349.6 Ų49.63%0.02525%0.247CC..Hα-helixtrans-64.9-36.8173.100000112.2F246 F297 V298 F299 Y305 F412F246-A301 HydrophobicContact CE1-CB 4.15Å; F246-A301 HydrophobicContact CZ-CB 3.91Å; F297-A301 PolarHBondContact O-N 2.87Å; V298-A301 WeakPolarHBondContact O-CB 3.13Å; V298-A301 PolarHBondContact O-N 2.57Å; F299-A301 VanDerWaalsContact C-N 3.3Å; F299-A301 PolarHBondContact O-N 2.79Å; A301-Y305 PolarHBondContact O-N 3.1Å; A301-F412 HydrophobicContact CB-CE1 4.33Å
302L91.1Very high91.3Very high48 Ų4850.4 Ų50.425%0.25125%0.254SS..Hα-helixtrans-65.7-42.2173.3-171.281.1000111.9V298 F299 A300 Y305 A306V298-L302 PolarHBondContact O-N 2.88Å; F299-L302 WeakPolarHBondContact O-CB 3.41Å; F299-L302 PolarHBondContact O-N 3.06Å; F299-L302 VanDerWaalsContact O-N 3.12Å; A300-L302 VanDerWaalsContact C-N 3.34Å; L302-Y305 PolarHBondContact O-N 2.88Å; L302-A306 PolarHBondContact O-N 2.78Å; L302-A306 VanDerWaalsContact O-N 3.15Å
303V91.7Very high90.9Very high72 Ų7246.7 Ų46.744%0.43625%0.245SC..Hα-helixtrans-66.8-40.2178172.20000111.4F299 A300 Y305 A306 F307F299-V303 HydrophobicContact CD1-CG2 3.97Å; F299-V303 HydrophobicContact CE1-CG2 3.58Å; F299-V303 HydrophobicContact CZ-CG2 3.99Å; F299-V303 WeakPolarHBondContact O-CG2 3.35Å; F299-V303 PolarHBondContact O-N 3.19Å; A300-V303 PolarHBondContact O-N 3.01Å; V303-Y305 VanDerWaalsContact C-N 3.31Å; V303-Y305 PolarHBondContact O-N 2.97Å; V303-A306 PolarHBondContact O-N 2.81Å; V303-F307 WeakPolarHBondContact O-CB 3.4Å; V303-F307 PolarHBondContact O-N 2.75Å
304E91.5Very high90.4Very high17 Ų1750.2 Ų50.28%0.07926%0.256CS..Hα-helixtrans-54.2-50.1173.3-176-71.1139.500110F246 A300 A306 F307 A308 I404 A408 F412F246-E304 WeakPolarHBondContact CD1-OE2 3.38Å; F246-E304 HydrophobicContact CE1-CB 4.25Å; F246-E304 HydrophobicContact CE1-CG 3.98Å; F246-E304 WeakPolarHBondContact CE1-OE2 3.42Å; A300-E304 WeakPolarHBondContact O-CB 3.31Å; A300-E304 PolarHBondContact O-N 2.89Å; E304-A306 PolarHBondContact O-N 3.06Å; E304-F307 CarbonylContact O-C 3.59Å; E304-F307 WeakPolarHBondContact O-CB 3.25Å; E304-F307 PolarHBondContact O-N 2.52Å; E304-F307 VanDerWaalsContact O-N 3.11Å; E304-A308 WeakPolarHBondContact O-CB 3.1Å; E304-A308 PolarHBondContact O-N 3.23Å; E304-I404 HydrophobicContact CG-CG2 4.4Å; E304-I404 WeakPolarHBondContact OE1-CG2 3.35Å; E304-A408 HydrophobicContact CG-CB 4.21Å; E304-F412 HydrophobicContact CB-CZ 4.45Å
305Y88.3Confident89.7Confident21 Ų2151.9 Ų51.98%0.08227%0.265CS..Hα-helixtrans-58.8-45.4178.2165.1-107.9000112.4V253 R256 V257 A301 L302 V303 F307 A308 H309V253-Y305 VanDerWaalsContact CG1-OH 3.23Å; V253-Y305 WeakPolarHBondContact CG1-OH 3.37Å; V253-Y305 WeakPolarHBondContact CG2-OH 3.3Å; R256-Y305 HydrophobicContact CB-CD2 3.85Å; R256-Y305 HydrophobicContact CB-CE2 3.81Å; R256-Y305 HydrophobicContact CB-CG 4.22Å; R256-Y305 VanDerWaalsContact CD-CE2 3.48Å; R256-Y305 HydrophobicContact CG-CD2 4.21Å; R256-Y305 HydrophobicContact CG-CE2 4.26Å; V257-Y305 HydrophobicContact CG2-CD1 4.32Å; V257-Y305 HydrophobicContact CG2-CE1 3.4Å; V257-Y305 VanDerWaalsContact CG2-CE1 3.4Å; A301-Y305 PolarHBondContact O-N 3.1Å; L302-Y305 PolarHBondContact O-N 2.88Å; V303-Y305 VanDerWaalsContact C-N 3.31Å; V303-Y305 PolarHBondContact O-N 2.97Å; Y305-F307 VanDerWaalsContact C-N 3.27Å; Y305-F307 PolarHBondContact O-N 2.8Å; Y305-A308 PolarHBondContact O-N 3.24Å; Y305-H309 HydrophobicContact CE2-CB 4.17Å; Y305-H309 VanDerWaalsContact O-CB 3.3Å; Y305-H309 WeakPolarHBondContact O-CB 3.15Å; Y305-H309 PolarHBondContact O-N 2.8Å
306A88.8Confident89.1Confident58 Ų5855.2 Ų55.248%0.47928%0.281SS..Hα-helixtrans-60.1-40.517800000111.5L302 V303 E304 F310L302-A306 PolarHBondContact O-N 2.78Å; L302-A306 VanDerWaalsContact O-N 3.15Å; V303-A306 PolarHBondContact O-N 2.81Å; E304-A306 PolarHBondContact O-N 3.06Å; A306-F310 WeakPolarHBondContact O-CB 3.43Å; A306-F310 PolarHBondContact O-N 3.32Å
307F87.9Confident88.6Confident111 Ų11157.7 Ų57.749%0.48728%0.284SS..Hα-helixtrans-68.7-45.7177.1-176.1-106.9000112.4V303 E304 Y305 H309 F310 N311 I404V303-F307 WeakPolarHBondContact O-CB 3.4Å; V303-F307 PolarHBondContact O-N 2.75Å; E304-F307 CarbonylContact O-C 3.59Å; E304-F307 WeakPolarHBondContact O-CB 3.25Å; E304-F307 PolarHBondContact O-N 2.52Å; E304-F307 VanDerWaalsContact O-N 3.11Å; Y305-F307 VanDerWaalsContact C-N 3.27Å; Y305-F307 PolarHBondContact O-N 2.8Å; F307-H309 PolarHBondContact O-N 2.72Å; F307-F310 PolarHBondContact O-N 3.31Å; F307-N311 WeakPolarHBondContact CE1-ND2 3.49Å; F307-N311 WeakPolarHBondContact CZ-ND2 3.33Å; F307-N311 PolarHBondContact O-N 2.9Å; F307-N311 PolarHBondContact O-ND2 2.93Å; F307-I404 HydrophobicContact CD1-CD1 3.95Å; F307-I404 HydrophobicContact CE1-CD1 3.79Å
308A86.8Confident88Confident0 Ų059.9 Ų59.90%030%0.295CS..Hα-helixtrans-60.3-45.7176.300000111.3E304 Y305 N311 A312E304-A308 WeakPolarHBondContact O-CB 3.1Å; E304-A308 PolarHBondContact O-N 3.23Å; Y305-A308 PolarHBondContact O-N 3.24Å; A308-N311 PolarHBondContact O-N 2.89Å; A308-A312 VanDerWaalsContact O-CB 3.3Å; A308-A312 WeakPolarHBondContact O-CB 3.39Å; A308-A312 PolarHBondContact O-N 3.42Å
309H86.9Confident87.5Confident56 Ų5665.5 Ų65.526%0.25932%0.319SS..Hα-helixtrans-62.7-44.3176.8-176-83.5000112.1Y305 F307 N311 A312 D313Y305-H309 HydrophobicContact CE2-CB 4.17Å; Y305-H309 VanDerWaalsContact O-CB 3.3Å; Y305-H309 WeakPolarHBondContact O-CB 3.15Å; Y305-H309 PolarHBondContact O-N 2.8Å; F307-H309 PolarHBondContact O-N 2.72Å; H309-N311 PolarHBondContact O-N 3.49Å; H309-A312 WeakPolarHBondContact O-CB 3.34Å; H309-A312 PolarHBondContact O-N 3.4Å; H309-D313 IonicContact CE1-OD2 3.83Å; H309-D313 PolarHBondContact CE1-OD2 2.99Å; H309-D313 IonicContact ND1-OD2 3.19Å; H309-D313 WeakPolarHBondContact O-CB 3.37Å; H309-D313 PolarHBondContact O-N 2.86Å
310F87.1Confident87Confident136 Ų13665 Ų6560%0.59632%0.321SS*.Hα-helixtrans-61.1-44.5177.2179-97.7000112.1A306 F307 D313 Y314A306-F310 WeakPolarHBondContact O-CB 3.43Å; A306-F310 PolarHBondContact O-N 3.32Å; F307-F310 PolarHBondContact O-N 3.31Å; F310-D313 PolarHBondContact O-N 3.42Å; F310-Y314 WeakPolarHBondContact O-CB 3.49Å; F310-Y314 PolarHBondContact O-N 3.32Å
311N85.7Confident86.5Confident27 Ų2770.7 Ų70.714%0.14434%0.34CS..Hα-helixtrans-66.2-40.7177.9-75-23.4000112.1F307 A308 H309 Y314 M315 I404F307-N311 WeakPolarHBondContact CE1-ND2 3.49Å; F307-N311 WeakPolarHBondContact CZ-ND2 3.33Å; F307-N311 PolarHBondContact O-N 2.9Å; F307-N311 PolarHBondContact O-ND2 2.93Å; A308-N311 PolarHBondContact O-N 2.89Å; H309-N311 PolarHBondContact O-N 3.49Å; N311-Y314 PolarHBondContact O-N 3.18Å; N311-M315 WeakPolarHBondContact O-CB 3.43Å; N311-M315 WeakPolarHBondContact O-CG 3.38Å; N311-M315 PolarHBondContact O-N 2.78Å; N311-I404 HydrophobicContact CB-CD1 4.45Å; N311-I404 WeakPolarHBondContact ND2-CD1 3.44Å
312A84.1Confident86.1Confident18 Ų1875.6 Ų75.615%0.14936%0.364CS..Hα-helixtrans-59.2-48.1174.800000112.3A308 H309 M315 K316 A401A308-A312 VanDerWaalsContact O-CB 3.3Å; A308-A312 WeakPolarHBondContact O-CB 3.39Å; A308-A312 PolarHBondContact O-N 3.42Å; H309-A312 WeakPolarHBondContact O-CB 3.34Å; H309-A312 PolarHBondContact O-N 3.4Å; A312-M315 PolarHBondContact O-N 2.98Å; A312-K316 WeakPolarHBondContact O-CB 3.42Å; A312-K316 PolarHBondContact O-N 2.65Å; A312-A401 HydrophobicContact CB-CB 3.94Å
313D85.1Confident85.6Confident62 Ų6280 Ų8033%0.33238%0.381SS..Hα-helixtrans-64.9-40.2177.8-95.4-7000112.1H309 F310 K316 K317H309-D313 IonicContact CE1-OD2 3.83Å; H309-D313 PolarHBondContact CE1-OD2 2.99Å; H309-D313 IonicContact ND1-OD2 3.19Å; H309-D313 WeakPolarHBondContact O-CB 3.37Å; H309-D313 PolarHBondContact O-N 2.86Å; F310-D313 PolarHBondContact O-N 3.42Å; D313-K316 PolarHBondContact O-N 3.11Å; D313-K317 WeakPolarHBondContact O-CB 3Å; D313-K317 WeakPolarHBondContact O-CG 3.37Å; D313-K317 PolarHBondContact O-N 2.84Å
314Y85.1Confident85.2Confident110 Ų11079.4 Ų79.443%0.43138%0.384SS..Hα-helixtrans-60-46.1174.2-177.3-95.9000111.3F310 N311 K317 Q318F310-Y314 WeakPolarHBondContact O-CB 3.49Å; F310-Y314 PolarHBondContact O-N 3.32Å; N311-Y314 PolarHBondContact O-N 3.18Å; Y314-K317 PolarHBondContact O-N 2.93Å; Y314-Q318 HydrophobicContact CD1-CG 4.33Å; Y314-Q318 HydrophobicContact CE1-CG 3.93Å; Y314-Q318 VanDerWaalsContact CZ-NE2 3.3Å; Y314-Q318 PolarHBondContact O-N 2.87Å; Y314-Q318 PolarHBondContact OH-NE2 3Å
315M80.9Confident84.6Confident35 Ų3588.5 Ų88.517%0.17242%0.417CS..Hα-helixtrans-66.7-39.7178.3-76.5-63.7-10300112.7N311 A312 K317 Q318 K319 P398N311-M315 WeakPolarHBondContact O-CB 3.43Å; N311-M315 WeakPolarHBondContact O-CG 3.38Å; N311-M315 PolarHBondContact O-N 2.78Å; A312-M315 PolarHBondContact O-N 2.98Å; M315-K317 VanDerWaalsContact C-N 3.35Å; M315-K317 PolarHBondContact O-N 2.9Å; M315-Q318 PolarHBondContact O-N 3.31Å; M315-K319 WeakPolarHBondContact O-CB 3.27Å; M315-K319 WeakPolarHBondContact O-CG 3.4Å; M315-K319 PolarHBondContact O-N 3.28Å; M315-P398 HydrophobicContact CE-CB 3.67Å; M315-P398 HydrophobicContact CE-CG 3.5Å; M315-P398 HydrophobicContact CG-CB 4Å; M315-P398 HydrophobicContact SD-CB 3.31Å; M315-P398 WeakPolarHBondContact SD-CB 3.41Å; M315-P398 HydrophobicContact SD-CG 3.4Å; M315-P398 WeakPolarHBondContact SD-CG 3.45Å
316K83.8Confident84.2Confident135 Ų13596.3 Ų96.359%0.58745%0.447SS*.Hα-helixtrans-60.9-44.2173.6-169.9177.8-178.1179.90111.1A312 D313 K319 N320A312-K316 WeakPolarHBondContact O-CB 3.42Å; A312-K316 PolarHBondContact O-N 2.65Å; D313-K316 PolarHBondContact O-N 3.11Å; K316-K319 PolarHBondContact O-N 2.93Å; K316-N320 WeakPolarHBondContact O-CB 3.42Å; K316-N320 PolarHBondContact O-N 2.95Å; K316-N320 PolarHBondContact O-ND2 2.9Å
317K84.6Confident83.6Confident138 Ų138102.2 Ų102.260%0.646%0.457SS*.Hα-helixtrans-62.4-42174.7-74.7173.1-177.3172.10112D313 Y314 M315 N320 K321D313-K317 WeakPolarHBondContact O-CB 3Å; D313-K317 WeakPolarHBondContact O-CG 3.37Å; D313-K317 PolarHBondContact O-N 2.84Å; Y314-K317 PolarHBondContact O-N 2.93Å; M315-K317 VanDerWaalsContact C-N 3.35Å; M315-K317 PolarHBondContact O-N 2.9Å; K317-N320 PolarHBondContact O-N 2.74Å; K317-K321 WeakPolarHBondContact O-CG 3.45Å; K317-K321 PolarHBondContact O-N 3.07Å
318Q84.1Confident82.9Confident76 Ų76100.1 Ų100.136%0.35546%0.456SS..Hα-helixtrans-64.5-47.8175.4-76.1-139.66.400112.6Y314 M315 N320 K321 I322Y314-Q318 HydrophobicContact CD1-CG 4.33Å; Y314-Q318 HydrophobicContact CE1-CG 3.93Å; Y314-Q318 VanDerWaalsContact CZ-NE2 3.3Å; Y314-Q318 PolarHBondContact O-N 2.87Å; Y314-Q318 PolarHBondContact OH-NE2 3Å; M315-Q318 PolarHBondContact O-N 3.31Å; Q318-N320 VanDerWaalsContact C-N 3.27Å; Q318-N320 PolarHBondContact O-N 3.13Å; Q318-K321 PolarHBondContact O-N 2.82Å; Q318-K321 VanDerWaalsContact O-N 3.13Å; Q318-I322 WeakPolarHBondContact O-CG1 3.26Å; Q318-I322 PolarHBondContact O-N 3.47Å
319K83.1Confident82.2Confident118 Ų118101.7 Ų101.751%0.51347%0.472SS..Hα-helixtrans-57.9-40.4176.3-75176.7179.8173.60111.2M315 K316 I322 K323M315-K319 WeakPolarHBondContact O-CB 3.27Å; M315-K319 WeakPolarHBondContact O-CG 3.4Å; M315-K319 PolarHBondContact O-N 3.28Å; K316-K319 PolarHBondContact O-N 2.93Å; K319-I322 PolarHBondContact O-N 3.07Å; K319-K323 WeakPolarHBondContact O-CB 3.45Å; K319-K323 WeakPolarHBondContact O-CG 3.38Å; K319-K323 PolarHBondContact O-N 2.85Å
320N84.3Confident81.5Confident90 Ų90104.3 Ų104.348%0.48148%0.484SS..Hα-helixtrans-66.5-39.8176.2-71.6-9.5000112.7K316 K317 Q318 K323 A324K316-N320 WeakPolarHBondContact O-CB 3.42Å; K316-N320 PolarHBondContact O-N 2.95Å; K316-N320 PolarHBondContact O-ND2 2.9Å; K317-N320 PolarHBondContact O-N 2.74Å; Q318-N320 VanDerWaalsContact C-N 3.27Å; Q318-N320 PolarHBondContact O-N 3.13Å; N320-K323 PolarHBondContact O-N 2.84Å; N320-A324 WeakPolarHBondContact O-CB 3.43Å; N320-A324 PolarHBondContact O-N 3.22Å
321K84.3Confident80.9Confident154 Ų154102.4 Ų102.467%0.6748%0.479SS*.Hα-helixtrans-63.3-41.6173.9-74.7178179.9-177.80112.4K317 Q318 A324 R325K317-K321 WeakPolarHBondContact O-CG 3.45Å; K317-K321 PolarHBondContact O-N 3.07Å; Q318-K321 PolarHBondContact O-N 2.82Å; Q318-K321 VanDerWaalsContact O-N 3.13Å; K321-A324 PolarHBondContact O-N 3.42Å; K321-R325 PolarHBondContact O-N 2.89Å
322I82.6Confident80.2Confident106 Ų106106.1 Ų106.154%0.54450%0.499SS..Hα-helixtrans-66.3-44.9176.7-65.3168.2000110.6Q318 K319 A324 R325 R326Q318-I322 WeakPolarHBondContact O-CG1 3.26Å; Q318-I322 PolarHBondContact O-N 3.47Å; K319-I322 PolarHBondContact O-N 3.07Å; I322-A324 VanDerWaalsContact C-N 3.34Å; I322-A324 PolarHBondContact O-N 3.02Å; I322-R325 PolarHBondContact O-N 3.01Å; I322-R326 WeakPolarHBondContact O-CB 3.47Å; I322-R326 PolarHBondContact O-N 3.24Å
323K82Confident79.7Confident139 Ų139109.4 Ų109.460%0.60452%0.518SS*.Hα-helixtrans-61.4-39.9175.4-75.7179.9179.8-177.90112.3K319 N320 R326 R327K319-K323 WeakPolarHBondContact O-CB 3.45Å; K319-K323 WeakPolarHBondContact O-CG 3.38Å; K319-K323 PolarHBondContact O-N 2.85Å; N320-K323 PolarHBondContact O-N 2.84Å; K323-R326 PolarHBondContact O-N 3.28Å; K323-R327 WeakPolarHBondContact O-CB 3.4Å; K323-R327 PolarHBondContact O-N 3.25Å
324A81.4Confident79.2Confident60 Ų60113.1 Ų113.150%0.49653%0.531SS..Hα-helixtrans-64.4-43.3175.500000112N320 K321 I322 R327 S328N320-A324 WeakPolarHBondContact O-CB 3.43Å; N320-A324 PolarHBondContact O-N 3.22Å; K321-A324 PolarHBondContact O-N 3.42Å; I322-A324 VanDerWaalsContact C-N 3.34Å; I322-A324 PolarHBondContact O-N 3.02Å; A324-R327 PolarHBondContact O-N 3.26Å; A324-S328 WeakPolarHBondContact O-CB 3.35Å; A324-S328 PolarHBondContact O-N 2.84Å
325R80.9Confident78.4Confident208 Ų208112.1 Ų112.179%0.78553%0.533SS*.Hα-helixtrans-61.4-42.9172.8-79.9-176.9171.2-174.9-4.3112.3K321 I322 S328 G329K321-R325 PolarHBondContact O-N 2.89Å; I322-R325 PolarHBondContact O-N 3.01Å; R325-S328 PolarHBondContact O-N 2.9Å; R325-G329 PolarHBondContact O-N 3.24Å
326R77.9Confident77.9Confident186 Ų186113.1 Ų113.170%0.70255%0.547SS*.Hα-helixtrans-66.6-41.8178.7-162.5173.8-1791650.6112.1I322 K323 G329 E330I322-R326 WeakPolarHBondContact O-CB 3.47Å; I322-R326 PolarHBondContact O-N 3.24Å; K323-R326 PolarHBondContact O-N 3.28Å; R326-G329 PolarHBondContact O-N 3.48Å; R326-E330 PolarHBondContact O-N 2.97Å
327R76.4Confident77.3Confident182 Ų182111.5 Ų111.569%0.68754%0.543SS*.Hα-helixtrans-63.2-43172.6-83.3-175176.3179.8-1.7112.3K323 A324 G329 E330 I331K323-R327 WeakPolarHBondContact O-CB 3.4Å; K323-R327 PolarHBondContact O-N 3.25Å; A324-R327 PolarHBondContact O-N 3.26Å; R327-G329 VanDerWaalsContact C-N 3.31Å; R327-G329 PolarHBondContact O-N 3.38Å; R327-E330 PolarHBondContact O-N 3.4Å; R327-I331 WeakPolarHBondContact O-CB 3.3Å; R327-I331 WeakPolarHBondContact O-CD1 3.48Å; R327-I331 VanDerWaalsContact O-CG1 3.23Å; R327-I331 WeakPolarHBondContact O-CG1 3.32Å; R327-I331 PolarHBondContact O-N 3.41Å
328S73.6Confident76.7Confident67 Ų67108.9 Ų108.947%0.46954%0.539SS..Hα-helixtrans-63.8-38.1175.6178.90000111.8A324 R325 N332A324-S328 WeakPolarHBondContact O-CB 3.35Å; A324-S328 PolarHBondContact O-N 2.84Å; R325-S328 PolarHBondContact O-N 2.9Å; S328-N332 WeakPolarHBondContact O-CB 3.49Å; S328-N332 PolarHBondContact O-N 3.44Å
329G72.6Confident75.8Confident33 Ų33110.2 Ų110.234%0.3455%0.548SS..Hα-helixtrans-63.2-46.4171.500000113.1R325 R326 R327 I331 N332 V333R325-G329 PolarHBondContact O-N 3.24Å; R326-G329 PolarHBondContact O-N 3.48Å; R327-G329 VanDerWaalsContact C-N 3.31Å; R327-G329 PolarHBondContact O-N 3.38Å; G329-I331 PolarHBondContact O-N 2.84Å; G329-N332 PolarHBondContact O-N 2.79Å; G329-V333 VanDerWaalsContact O-CG2 3.31Å; G329-V333 WeakPolarHBondContact O-CG2 3.2Å; G329-V333 PolarHBondContact O-N 2.82Å
330E72.8Confident75Confident110 Ų110111.6 Ų111.651%0.51455%0.554SS.*Hα-helixtrans-62.7-39.3175.7-86.7178.7168.300112.9R326 R327 V333 K334R326-E330 PolarHBondContact O-N 2.97Å; R327-E330 PolarHBondContact O-N 3.4Å; E330-V333 PolarHBondContact O-N 2.84Å; E330-K334 WeakPolarHBondContact O-CB 3.31Å; E330-K334 WeakPolarHBondContact O-CG 3.21Å; E330-K334 PolarHBondContact O-N 2.84Å
331I73.1Confident74.1Confident96 Ų96110.6 Ų110.649%0.49255%0.554SS.*Hα-helixtrans-65.8-44.1175.6-68.3164000110.2R327 G329 V333 K334 N335R327-I331 WeakPolarHBondContact O-CB 3.3Å; R327-I331 WeakPolarHBondContact O-CD1 3.48Å; R327-I331 VanDerWaalsContact O-CG1 3.23Å; R327-I331 WeakPolarHBondContact O-CG1 3.32Å; R327-I331 PolarHBondContact O-N 3.41Å; G329-I331 PolarHBondContact O-N 2.84Å; I331-V333 VanDerWaalsContact C-N 3.34Å; I331-V333 PolarHBondContact O-N 2.86Å; I331-K334 PolarHBondContact O-N 2.91Å; I331-N335 VanDerWaalsContact O-CB 3.32Å; I331-N335 WeakPolarHBondContact O-CB 3.43Å; I331-N335 PolarHBondContact O-N 2.69Å; I331-N335 PolarHBondContact O-OD1 3.43Å
332N72.4Confident72.9Confident105 Ų105106 Ų10656%0.56154%0.537SS*.Hα-helixtrans-61.9-40.4175.8-88.1-4.8000112.4S328 G329 N335 A336S328-N332 WeakPolarHBondContact O-CB 3.49Å; S328-N332 PolarHBondContact O-N 3.44Å; G329-N332 PolarHBondContact O-N 2.79Å; N332-N335 PolarHBondContact O-N 3.16Å; N332-A336 WeakPolarHBondContact O-CB 3.28Å; N332-A336 PolarHBondContact O-N 2.93Å
333V73.8Confident71.8Confident88 Ų88105.5 Ų105.553%0.53354%0.543SS..Hα-helixtrans-66.7-44.1176.6172.30000111.2G329 E330 I331 N335 A336 I337G329-V333 VanDerWaalsContact O-CG2 3.31Å; G329-V333 WeakPolarHBondContact O-CG2 3.2Å; G329-V333 PolarHBondContact O-N 2.82Å; E330-V333 PolarHBondContact O-N 2.84Å; I331-V333 VanDerWaalsContact C-N 3.34Å; I331-V333 PolarHBondContact O-N 2.86Å; V333-N335 PolarHBondContact O-N 2.74Å; V333-A336 PolarHBondContact O-N 3.23Å; V333-I337 HydrophobicContact CG1-CD1 3.86Å; V333-I337 VanDerWaalsContact O-CG1 3.28Å; V333-I337 WeakPolarHBondContact O-CG1 3.45Å; V333-I337 PolarHBondContact O-N 3.17Å
334K72.8Confident70.7Confident139 Ų139105 Ų10560%0.60455%0.545SS*.Hα-helixtrans-62.3-42.8175.4-75.4179.6177.7-176.10112E330 I331 A336 I337 V338E330-K334 WeakPolarHBondContact O-CB 3.31Å; E330-K334 WeakPolarHBondContact O-CG 3.21Å; E330-K334 PolarHBondContact O-N 2.84Å; I331-K334 PolarHBondContact O-N 2.91Å; K334-A336 VanDerWaalsContact C-N 3.35Å; K334-I337 PolarHBondContact O-N 3.34Å; K334-V338 WeakPolarHBondContact O-CG2 3.45Å; K334-V338 PolarHBondContact O-N 2.95Å
335N68.9Low69.6Low89 Ų89105.5 Ų105.548%0.47655%0.55SS..Hα-helixtrans-64-39.7176.4-71.5-2.5000111.7I331 N332 V333 V338 L339I331-N335 VanDerWaalsContact O-CB 3.32Å; I331-N335 WeakPolarHBondContact O-CB 3.43Å; I331-N335 PolarHBondContact O-N 2.69Å; I331-N335 PolarHBondContact O-OD1 3.43Å; N332-N335 PolarHBondContact O-N 3.16Å; V333-N335 PolarHBondContact O-N 2.74Å; N335-V338 PolarHBondContact O-N 3.48Å; N335-L339 WeakPolarHBondContact O-CB 3.26Å; N335-L339 WeakPolarHBondContact O-CG 3.37Å; N335-L339 PolarHBondContact O-N 2.86Å
336A69.9Low68.2Low57 Ų5798.7 Ų98.747%0.47154%0.544SS..Hα-helixtrans-64.6-40.9175.100000112.4N332 V333 K334 L339 F340N332-A336 WeakPolarHBondContact O-CB 3.28Å; N332-A336 PolarHBondContact O-N 2.93Å; V333-A336 PolarHBondContact O-N 3.23Å; K334-A336 VanDerWaalsContact C-N 3.35Å; A336-L339 PolarHBondContact O-N 3.1Å; A336-F340 WeakPolarHBondContact O-CB 3.49Å; A336-F340 PolarHBondContact O-N 2.74Å
337I72.8Confident66.9Low100 Ų10094.2 Ų94.251%0.51354%0.537SS..Hα-helixtrans-65-40.2175.9-67.2164.2000111.3V333 K334 F340 S341V333-I337 HydrophobicContact CG1-CD1 3.86Å; V333-I337 VanDerWaalsContact O-CG1 3.28Å; V333-I337 WeakPolarHBondContact O-CG1 3.45Å; V333-I337 PolarHBondContact O-N 3.17Å; K334-I337 PolarHBondContact O-N 3.34Å; I337-F340 PolarHBondContact O-N 3.31Å; I337-S341 WeakPolarHBondContact O-CB 3.42Å; I337-S341 PolarHBondContact O-N 2.82Å; I337-S341 PolarHBondContact O-OG 3.05Å
338V71.3Confident65.4Low83 Ų8393.1 Ų93.150%0.50355%0.545SS..Hα-helixtrans-65.7-44.8176.9170.70000111K334 N335 F340 S341 L342K334-V338 WeakPolarHBondContact O-CG2 3.45Å; K334-V338 PolarHBondContact O-N 2.95Å; N335-V338 PolarHBondContact O-N 3.48Å; V338-F340 VanDerWaalsContact C-N 3.33Å; V338-F340 PolarHBondContact O-N 3.13Å; V338-S341 PolarHBondContact O-N 2.78Å; V338-L342 HydrophobicContact CG1-CD1 3.81Å; V338-L342 WeakPolarHBondContact O-CB 3.33Å; V338-L342 WeakPolarHBondContact O-CG 3.23Å; V338-L342 PolarHBondContact O-N 2.9Å
339L65.4Low64Low105 Ų10596.2 Ų96.255%0.5555%0.552SS.*Hα-helixtrans-61.4-40.5174.7-77.3167.5000112.2N335 A336 L342 S343N335-L339 WeakPolarHBondContact O-CB 3.26Å; N335-L339 WeakPolarHBondContact O-CG 3.37Å; N335-L339 PolarHBondContact O-N 2.86Å; A336-L339 PolarHBondContact O-N 3.1Å; L339-L342 PolarHBondContact O-N 2.85Å; L339-S343 WeakPolarHBondContact O-CB 3.34Å; L339-S343 PolarHBondContact O-N 3.29Å
340F66.4Low62.5Low147 Ų147103.4 Ų103.465%0.64558%0.576SS**Hα-helixtrans-66.4-40.5176.8-157.4-97.6000111.9A336 I337 V338 S343 I344A336-F340 WeakPolarHBondContact O-CB 3.49Å; A336-F340 PolarHBondContact O-N 2.74Å; I337-F340 PolarHBondContact O-N 3.31Å; V338-F340 VanDerWaalsContact C-N 3.33Å; V338-F340 PolarHBondContact O-N 3.13Å; F340-S343 PolarHBondContact O-N 2.8Å; F340-I344 HydrophobicContact CD1-CD1 3.63Å; F340-I344 HydrophobicContact CD1-CG1 4.49Å; F340-I344 HydrophobicContact CE1-CD1 3.57Å; F340-I344 HydrophobicContact CE1-CG1 4.47Å; F340-I344 WeakPolarHBondContact O-CG1 3.39Å; F340-I344 PolarHBondContact O-N 2.75Å; F340-I344 VanDerWaalsContact O-N 3.14Å
341S65.1Low61.1Low68 Ų68106.5 Ų106.548%0.47660%0.596SS.*Hα-helixtrans-63.8-42.2175.2-51.10000112.6I337 V338 S343 I344 A345I337-S341 WeakPolarHBondContact O-CB 3.42Å; I337-S341 PolarHBondContact O-N 2.82Å; I337-S341 PolarHBondContact O-OG 3.05Å; V338-S341 PolarHBondContact O-N 2.78Å; S341-S343 VanDerWaalsContact C-N 3.33Å; S341-I344 PolarHBondContact O-N 2.8Å; S341-A345 WeakPolarHBondContact O-CB 3.38Å; S341-A345 PolarHBondContact O-N 3.31Å; S341-A345 VanDerWaalsContact O-N 3.09Å
342L59.2Low59.6Low59 Ų59106.4 Ų106.431%0.30961%0.609SS.*Hα-helixtrans-65.6-35.5176.5-78.1160.9000112V338 L339 A345 G346V338-L342 HydrophobicContact CG1-CD1 3.81Å; V338-L342 WeakPolarHBondContact O-CB 3.33Å; V338-L342 WeakPolarHBondContact O-CG 3.23Å; V338-L342 PolarHBondContact O-N 2.9Å; L339-L342 PolarHBondContact O-N 2.85Å; L342-A345 PolarHBondContact O-N 3.48Å; L342-G346 PolarHBondContact O-N 2.86Å
343S58.8Low58.4Low95 Ų95109.7 Ų109.766%0.66463%0.625SS**Hα-helixtrans-69.2-32.9175.7-169.30000113.2L339 F340 S341L339-S343 WeakPolarHBondContact O-CB 3.34Å; L339-S343 PolarHBondContact O-N 3.29Å; F340-S343 PolarHBondContact O-N 2.8Å; S341-S343 VanDerWaalsContact C-N 3.33Å
344I58.3Low56.5Low127 Ų127111 Ų11165%0.65164%0.639SS**Hα-helixtrans-77.1-30.9176.2-66.7168.3000111.3F340 S341 G346F340-I344 HydrophobicContact CD1-CD1 3.63Å; F340-I344 HydrophobicContact CD1-CG1 4.49Å; F340-I344 HydrophobicContact CE1-CD1 3.57Å; F340-I344 HydrophobicContact CE1-CG1 4.47Å; F340-I344 WeakPolarHBondContact O-CG1 3.39Å; F340-I344 PolarHBondContact O-N 2.75Å; F340-I344 VanDerWaalsContact O-N 3.14Å; S341-I344 PolarHBondContact O-N 2.8Å; I344-G346 VanDerWaalsContact C-N 3.25Å; I344-G346 PolarHBondContact O-N 3.42Å
345A58.5Low54.9Low72 Ų72111.2 Ų111.260%0.59565%0.646SS**THydrogen-bonded Turntrans-77.9-2.6177.900000114.3S341 L342 V347S341-A345 WeakPolarHBondContact O-CB 3.38Å; S341-A345 PolarHBondContact O-N 3.31Å; S341-A345 VanDerWaalsContact O-N 3.09Å; L342-A345 PolarHBondContact O-N 3.48Å; A345-V347 HydrophobicContact CB-CG2 4.49Å; A345-V347 PolarHBondContact O-N 2.85Å
346G52.6Low53.5Low65 Ų65116.4 Ų116.467%0.6766%0.659SS**THydrogen-bonded Turntrans68.330174.800000114.8L342 I344L342-G346 PolarHBondContact O-N 2.86Å; I344-G346 VanDerWaalsContact C-N 3.25Å; I344-G346 PolarHBondContact O-N 3.42Å
347V50.2Low51.7Low91 Ų91119.9 Ų119.955%0.55267%0.666SS**  trans-102.5115.3179.5-177.10000110.2A345A345-V347 HydrophobicContact CB-CG2 4.49Å; A345-V347 PolarHBondContact O-N 2.85Å
348N45.3Very low49.6Very low159 Ų159123.4 Ų123.485%0.8568%0.679SS**  trans-72.2125.2173.1-69.8-21.9000110.2E350N348-E350 PolarHBondContact O-N 2.84Å; N348-E350 VanDerWaalsContact O-N 3.12Å
349Q44.5Very low47.5Very low133 Ų133131.2 Ų131.262%0.62170%0.7SS**  trans-87.479.2-174.5-168.2148.22.600112.3
350E41.2Very low46Very low183 Ų183133.7 Ų133.786%0.85571%0.712SS**  trans-12672.5153.4-85.1-139.3143.600109N348N348-E350 PolarHBondContact O-N 2.84Å; N348-E350 VanDerWaalsContact O-N 3.12Å
351L43.1Very low44.8Very low175 Ų175132 Ų13292%0.91672%0.716SS**  trans-173.795.2154.9-132.479.9000111.2
352A41.8Very low43.2Very low94 Ų94139.7 Ų139.778%0.77773%0.734SS**  trans-166.354.2151.700000110.6
353I47.3Very low41.7Very low174 Ų174141.4 Ų141.489%0.89275%0.752SS**  trans-131.5106.4160.4-59.1178.6000107.3
354S33.3Very low40.4Very low117 Ų117144.8 Ų144.882%0.81876%0.761SS**  trans-174.8137.9161.1179.80000110
355N38.7Very low39.6Very low143 Ų143144.2 Ų144.277%0.76577%0.766SS**  cis-176.3167.9-23.6-153.9-10.7000107.4
356R40.5Very low38.1Very low197 Ų197144.3 Ų144.374%0.74377%0.774SS**  trans94.9139.4156.9-65.1178.6160.6-143.68120.5
357Q32.5Very low36.8Very low131 Ų131146.6 Ų146.661%0.61278%0.78SS**  cis-171.1144.6-0.8-118.8157.7-22.600114.4
358H28.7Very low35.6Very low173 Ų173153.1 Ų153.180%0.80180%0.796SS**  trans51.7127136.8-85.818.3000126.1
359R27.2Very low34.8Very low247 Ų247148.2 Ų148.293%0.93278%0.783SS**  -177145.5101.9-117178.8176.8172.4-0.8113.9
360I32.6Very low34Very low157 Ų157148.1 Ų148.181%0.80579%0.791SS**  trans-109.8154178.6-69172.8000107.6
361P42Very low33.3Very low112 Ų112144.7 Ų144.773%0.72778%0.783SS**  -155.2179.96743.7-19.6000117
362R31.4Very low32.5Very low229 Ų229143.5 Ų143.586%0.86477%0.773SS**  cis-168.4157.814.5-139.9166.7-178.8153.5-1.7111.4
363S26.9Very low31.8Very low96 Ų96145.9 Ų145.967%0.67177%0.771SS**  trans76.9102.9146.160.70000125.4
364L31.8Very low30.8Very low165 Ų165145.4 Ų145.486%0.86477%0.765SS**  46.3159.9121-8599.5000123
365P40.7Very low30.4Very low115 Ų115146 Ų14675%0.74776%0.764SS**  cis-144.9170.1-36.838.6-20.2000115.9
366G27Very low29.7Very low75 Ų75142.4 Ų142.477%0.77376%0.761SS**  trans110.5107.7133.600000118.3
367S25.3Very low28.9Very low112 Ų112141.6 Ų141.678%0.78377%0.765SS**  -179.6134.4100.6-171.70000111.5
368Y26.8Very low28.7Very low229 Ų229141.1 Ų141.190%0.89877%0.772SS**  trans-37.4153.1163.5-61.3-98.9000113.9
369G28.5Very low28.5Very low56 Ų56142.7 Ų142.758%0.57778%0.776SS**  cis169.3160.85.600000109.9
370T26Very low28.4Very low130 Ų130140.2 Ų140.280%0.79878%0.775SS**  trans66.4116.1137.551.90000118.5
371V28Very low28Very low112 Ų112142.1 Ų142.168%0.67978%0.78SS**  112141.685.7147.70000106.6
372E25.2Very low27.2Very low149 Ų149145.6 Ų145.670%0.69679%0.787SS**  cis-160.5139.5-1.4-108.2164.4-177.300104.4
373I27.9Very low26.8Very low144 Ų144143.5 Ų143.574%0.73879%0.787SS**  53.8114.896.6-48-180000113.7
374E26.8Very low26.9Very low165 Ų165146.8 Ų146.877%0.77179%0.793SS**  173.9116.4118.9-98.3-160.1151.800110.3
375T23.2Very low26.6Very low129 Ų129148.6 Ų148.679%0.79179%0.794SS**  63.8137.8110.858.40000114
376G24.9Very low25.8Very low68 Ų68150 Ų15070%0.70179%0.794SS**  cis-173.9143.90.100000108
377E23.8Very low26Very low179 Ų179153.1 Ų153.184%0.83679%0.794SS**  trans62.9118.2139.3-63.9-164.8141.100123.7
378T27.7Very low26.1Very low122 Ų122157.1 Ų157.175%0.74880%0.797SS**  trans66.8117.1132.557.30000121
379K24.8Very low26.2Very low205 Ų205155.4 Ų155.489%0.89179%0.794SS**  -165.9130110.7-103.7167.5-176.5177.70111.3
380Q26.3Very low26.5Very low196 Ų196157.1 Ų157.192%0.91680%0.797SS**  trans-64.4130.3164.6-77.4175.1-15.100109.3
381Q23.1Very low26.7Very low196 Ų196153.8 Ų153.892%0.91679%0.789SS**  trans-135.8122.9150.8-112.6175.3-8.900108.9E383Q381-E383 PolarHBondContact O-N 2.97Å
382H25.5Very low26.9Very low185 Ų185156.6 Ų156.686%0.85680%0.799SS**  trans-77.5109.4-175.7-160.6-76.5000108
383E22.4Very low27.6Very low186 Ų186158.4 Ų158.487%0.86981%0.805SS**  trans-122.7121.9165.8-107.5-170.7170.700110.7Q381 K385Q381-E383 PolarHBondContact O-N 2.97Å; E383-K385 PolarHBondContact O-N 3.27Å; E383-K385 VanDerWaalsContact O-N 3.13Å
384M29.1Very low27.9Very low164 Ų164155.5 Ų155.581%0.80880%0.798SS**  trans-71.394.8-172.4-160.2174.980.800110L386M384-L386 PolarHBondContact O-N 2.94Å
385K25.1Very low28.7Very low204 Ų204154.9 Ų154.989%0.88780%0.799SS**  trans-88.697.8167.3-89.3-177.5-179.8171.80110.7E383 D387E383-K385 PolarHBondContact O-N 3.27Å; E383-K385 VanDerWaalsContact O-N 3.13Å; K385-D387 PolarHBondContact O-N 3.39Å
386L24.9Very low29.7Very low143 Ų143157.3 Ų157.375%0.74980%0.799SS**  trans-44.1124.9167.9-157.178.9000111.6M384 K388M384-L386 PolarHBondContact O-N 2.94Å; L386-K388 PolarHBondContact O-N 3.25Å
387D30.8Very low30.6Very low142 Ų142162.9 Ų162.976%0.75980%0.803SS**  trans-6494.2-178.9-161.30.4000111.3K385K385-D387 PolarHBondContact O-N 3.39Å
388K27.1Very low31.9Very low195 Ų195157.1 Ų157.185%0.84878%0.782SS**  trans-113.339.7-178.8-137.8178.2-171.5179.50112.3L386L386-K388 PolarHBondContact O-N 3.25Å
389K30.1Very low33.4Very low193 Ų193155.8 Ų155.884%0.83977%0.769SS**SBendtrans-127.620174.3-88.7-173.6178.31770114.6
390S33Very low35.3Very low92 Ų92149.6 Ų149.664%0.64375%0.746SS**SBendtrans-100.6-9176.9138.40000115
391G30.4Very low37.3Very low61 Ų61140.3 Ų140.363%0.62970%0.703SS**SBendtrans-87-21.6-168.800000117.4S394G391-S394 PolarHBondContact O-OG 3.07Å
392L33.8Very low39.7Very low171 Ų171135 Ų13590%0.89568%0.681SS**SBendtrans-106.67.2-173.3-146.782.7000114.4
393K39Very low42.3Very low186 Ų186128.6 Ų128.681%0.80966%0.655SS**SBendtrans-103.8-3.8173.2-77.7-177.2178.5175.20113.1
394S35.1Very low45.1Very low84 Ų84120.9 Ų120.959%0.58762%0.619SS**SBendtrans-92-8.8-176.956.40000114.2G391G391-S394 PolarHBondContact O-OG 3.07Å
395L42.3Very low47.7Very low152 Ų152113.3 Ų113.380%0.79658%0.582SS**SBendtrans-81.6-23.4-177.9-153.674.7000113.4
396F44.1Very low50.6Low179 Ų179108.4 Ų108.479%0.78556%0.564SS**  trans-111.181.5173.8-70-82.4000109.3P398F396-P398 WeakPolarHBondContact O-CD 3.36Å
397K43.8Very low53.6Low185 Ų185109.1 Ų109.180%0.80456%0.558SS**  trans-57.5124.5159.3-81.1-176.2178.9177.90106.6I399K397-I399 PolarHBondContact O-N 3.12Å
398P51.8Low56.4Low59 Ų59102.7 Ų102.738%0.38353%0.525SS..  trans-66.6112.2-179.426.5-32.5000108.5M315 F396M315-P398 HydrophobicContact CE-CB 3.67Å; M315-P398 HydrophobicContact CE-CG 3.5Å; M315-P398 HydrophobicContact CG-CB 4Å; M315-P398 HydrophobicContact SD-CB 3.31Å; M315-P398 WeakPolarHBondContact SD-CB 3.41Å; M315-P398 HydrophobicContact SD-CG 3.4Å; M315-P398 WeakPolarHBondContact SD-CG 3.45Å; F396-P398 WeakPolarHBondContact O-CD 3.36Å
399I58.9Low59.5Low93 Ų9397.7 Ų97.748%0.47750%0.5SS..  trans-67.6133.4173.8-59171.8000106.6K397 A401 T403 I404K397-I399 PolarHBondContact O-N 3.12Å; I399-A401 PolarHBondContact O-N 2.96Å; I399-T403 HydrophobicContact CG2-CG2 4.02Å; I399-I404 HydrophobicContact CB-CG1 4.32Å; I399-I404 HydrophobicContact CG2-CD1 4.35Å; I399-I404 HydrophobicContact CG2-CG1 3.66Å
400D64.6Low62.4Low75 Ų7591.6 Ų91.640%0.40149%0.486SS..  trans-64.4135.6177.2-153.115.7000108.8D402 T403 I404D400-D402 PolarHBondContact O-N 3.1Å; D400-T403 WeakPolarHBondContact O-CA 3.49Å; D400-T403 VanDerWaalsContact O-CB 3.23Å; D400-T403 WeakPolarHBondContact O-CB 3.27Å; D400-T403 PolarHBondContact O-N 2.64Å; D400-I404 PolarHBondContact O-N 2.72Å
401A67.8Low65.3Low2 Ų291.2 Ų91.22%0.01748%0.48CS..Hα-helixtrans-57.4-36.2-175.400000111.7A312 I399 T403 I404 D405A312-A401 HydrophobicContact CB-CB 3.94Å; I399-A401 PolarHBondContact O-N 2.96Å; A401-T403 PolarHBondContact O-N 2.8Å; A401-I404 WeakPolarHBondContact O-CB 3.48Å; A401-I404 PolarHBondContact O-N 2.74Å; A401-I404 VanDerWaalsContact O-N 3.12Å; A401-D405 PolarHBondContact O-N 3.2Å
402D73.4Confident68.3Low85 Ų8589.8 Ų89.846%0.45546%0.456SS..Hα-helixtrans-65.5-28.3176-63.5-4.6000112.2Q250 D400 I406Q250-D402 PolarHBondContact NE2-OD1 2.71Å; D400-D402 PolarHBondContact O-N 3.1Å; D402-I406 WeakPolarHBondContact O-CD1 3.42Å; D402-I406 WeakPolarHBondContact O-CG1 3.22Å; D402-I406 PolarHBondContact O-N 3.33Å
403T80.3Confident71.2Confident50 Ų5083.6 Ų83.631%0.30743%0.426SS..Hα-helixtrans-71.1-36174.6-55.90000111.2I399 D400 A401 I406 Y407I399-T403 HydrophobicContact CG2-CG2 4.02Å; D400-T403 WeakPolarHBondContact O-CA 3.49Å; D400-T403 VanDerWaalsContact O-CB 3.23Å; D400-T403 WeakPolarHBondContact O-CB 3.27Å; D400-T403 PolarHBondContact O-N 2.64Å; A401-T403 PolarHBondContact O-N 2.8Å; T403-I406 PolarHBondContact O-N 3.29Å; T403-Y407 HydrophobicContact CG2-CD2 3.84Å; T403-Y407 HydrophobicContact CG2-CE2 3.56Å; T403-Y407 WeakPolarHBondContact O-CD2 3.44Å; T403-Y407 PolarHBondContact O-N 2.83Å; T403-Y407 VanDerWaalsContact O-N 3.13Å
404I81.3Confident73.9Confident23 Ų2377.8 Ų77.812%0.11841%0.413CS..Hα-helixtrans-64.7-48.7177.8-57.2173000109.9E304 F307 N311 I399 D400 A401 I406 Y407 A408E304-I404 HydrophobicContact CG-CG2 4.4Å; E304-I404 WeakPolarHBondContact OE1-CG2 3.35Å; F307-I404 HydrophobicContact CD1-CD1 3.95Å; F307-I404 HydrophobicContact CE1-CD1 3.79Å; N311-I404 HydrophobicContact CB-CD1 4.45Å; N311-I404 WeakPolarHBondContact ND2-CD1 3.44Å; I399-I404 HydrophobicContact CB-CG1 4.32Å; I399-I404 HydrophobicContact CG2-CD1 4.35Å; I399-I404 HydrophobicContact CG2-CG1 3.66Å; D400-I404 PolarHBondContact O-N 2.72Å; A401-I404 WeakPolarHBondContact O-CB 3.48Å; A401-I404 PolarHBondContact O-N 2.74Å; A401-I404 VanDerWaalsContact O-N 3.12Å; I404-I406 VanDerWaalsContact C-N 3.27Å; I404-I406 PolarHBondContact O-N 2.99Å; I404-Y407 PolarHBondContact O-N 2.83Å; I404-A408 WeakPolarHBondContact O-CB 3.45Å; I404-A408 PolarHBondContact O-N 2.87Å
405D84.2Confident76.8Confident6 Ų675.6 Ų75.63%0.03240%0.4CS..Hα-helixtrans-58.4-38.7176.2-76.6-40.6000111.2R256 A401 A408 R409R256-D405 IonicContact CZ-OD1 2.99Å; R256-D405 IonicContact CZ-OD2 2.78Å; R256-D405 IonicContact NH1-OD1 2.79Å; R256-D405 PolarHBondContact NH1-OD1 3.21Å; R256-D405 IonicContact NH1-OD2 3.79Å; R256-D405 IonicContact NH2-OD1 3.27Å; R256-D405 PolarHBondContact NH2-OD1 2.99Å; R256-D405 IonicContact NH2-OD2 3.59Å; R256-D405 PolarHBondContact NH2-OD2 3.03Å; A401-D405 PolarHBondContact O-N 3.2Å; D405-A408 PolarHBondContact O-N 2.84Å; D405-R409 VanDerWaalsContact O-CG 3.23Å; D405-R409 WeakPolarHBondContact O-CG 3.45Å; D405-R409 PolarHBondContact O-N 3.02Å; D405-R409 VanDerWaalsContact O-N 3.1Å
406I86.3Confident79.4Confident100 Ų10068.9 Ų68.951%0.51336%0.364SS..Hα-helixtrans-63.7-45.5178-72.7163.9000112D402 T403 I404D402-I406 WeakPolarHBondContact O-CD1 3.42Å; D402-I406 WeakPolarHBondContact O-CG1 3.22Å; D402-I406 PolarHBondContact O-N 3.33Å; T403-I406 PolarHBondContact O-N 3.29Å; I404-I406 VanDerWaalsContact C-N 3.27Å; I404-I406 PolarHBondContact O-N 2.99Å
407Y88.3Confident81.8Confident158 Ų15862.9 Ų62.962%0.6235%0.348SS*.Hα-helixtrans-66.8-41.1176.4-79.1-73.1000111.4T403 I404 R409 A410 V411T403-Y407 HydrophobicContact CG2-CD2 3.84Å; T403-Y407 HydrophobicContact CG2-CE2 3.56Å; T403-Y407 WeakPolarHBondContact O-CD2 3.44Å; T403-Y407 PolarHBondContact O-N 2.83Å; T403-Y407 VanDerWaalsContact O-N 3.13Å; I404-Y407 PolarHBondContact O-N 2.83Å; Y407-R409 VanDerWaalsContact C-N 3.26Å; Y407-R409 PolarHBondContact O-N 2.84Å; Y407-A410 PolarHBondContact O-N 3.2Å; Y407-A410 VanDerWaalsContact O-N 3.13Å; Y407-V411 WeakPolarHBondContact O-CB 3.36Å; Y407-V411 WeakPolarHBondContact O-CG2 3.28Å; Y407-V411 PolarHBondContact O-N 3.19Å
408A89.8Confident84.3Confident7 Ų756.6 Ų56.66%0.05833%0.33CS..Hα-helixtrans-58.5-38.3179.200000112.2F246 E304 I404 D405 A410 F412F246-A408 HydrophobicContact CD1-CB 4.05Å; F246-A408 HydrophobicContact CD2-CB 4.16Å; F246-A408 HydrophobicContact CE1-CB 4.07Å; F246-A408 HydrophobicContact CE2-CB 4.16Å; F246-A408 HydrophobicContact CG-CB 4.12Å; F246-A408 HydrophobicContact CZ-CB 4.12Å; E304-A408 HydrophobicContact CG-CB 4.21Å; I404-A408 WeakPolarHBondContact O-CB 3.45Å; I404-A408 PolarHBondContact O-N 2.87Å; D405-A408 PolarHBondContact O-N 2.84Å; A408-A410 PolarHBondContact O-N 2.99Å; A408-F412 HydrophobicContact CB-CD2 4.03Å; A408-F412 HydrophobicContact CB-CE2 4.13Å; A408-F412 WeakPolarHBondContact O-CB 3.38Å; A408-F412 WeakPolarHBondContact O-CD2 3.32Å; A408-F412 PolarHBondContact O-N 3.26Å; A408-F412 VanDerWaalsContact O-N 3.13Å
409R91.4Very high86.5Confident90 Ų9056 Ų5634%0.3433%0.326SS..Hα-helixtrans-58.5-30.2177.1-72.7167-164.1179.25.3114.3F246 W247 D405 Y407 P413F246-R409 HydrophobicContact CB-CG 3.97Å; F246-R409 PolarHBondContact O-NE 3.34Å; F246-R409 VanDerWaalsContact O-NE 3.15Å; F246-R409 PolarHBondContact O-NH2 3.44Å; W247-R409 HydrophobicContact CZ2-CG 4.47Å; D405-R409 VanDerWaalsContact O-CG 3.23Å; D405-R409 WeakPolarHBondContact O-CG 3.45Å; D405-R409 PolarHBondContact O-N 3.02Å; D405-R409 VanDerWaalsContact O-N 3.1Å; Y407-R409 VanDerWaalsContact C-N 3.26Å; Y407-R409 PolarHBondContact O-N 2.84Å; R409-P413 VanDerWaalsContact O-CD 3.31Å; R409-P413 WeakPolarHBondContact O-CD 3.49Å; R409-P413 WeakPolarHBondContact O-CG 3.3Å
410A91.1Very high88.2Confident65 Ų6552.5 Ų52.554%0.53731%0.308SS..Hα-helixtrans-97.2-42.8179.300000112.1Y407 A408 A414Y407-A410 PolarHBondContact O-N 3.2Å; Y407-A410 VanDerWaalsContact O-N 3.13Å; A408-A410 PolarHBondContact O-N 2.99Å; A410-A414 VanDerWaalsContact O-CB 3.25Å; A410-A414 WeakPolarHBondContact O-CB 3.43Å; A410-A414 PolarHBondContact O-N 2.97Å
411V93.6Very high89.7Confident84 Ų8453.5 Ų53.551%0.50932%0.316SS..Hα-helixtrans-69.9-43.6-172.6174.50000111.9Y407 A414 A415Y407-V411 WeakPolarHBondContact O-CB 3.36Å; Y407-V411 WeakPolarHBondContact O-CG2 3.28Å; Y407-V411 PolarHBondContact O-N 3.19Å; V411-A414 PolarHBondContact O-N 2.82Å; V411-A415 WeakPolarHBondContact O-CB 3.42Å; V411-A415 PolarHBondContact O-N 3.34Å
412F94.3Very high91Very high32 Ų3259 Ų5914%0.1434%0.344CS..Hα-helixtrans-63.7-51.2-177.4-85.3-108.8000112.5F246 F297 A300 A301 E304 A408 A414 A415 F416F246-F412 HydrophobicContact CE2-CB 4.03Å; F246-F412 HydrophobicContact CE2-CD1 4.3Å; F246-F412 HydrophobicContact CE2-CD2 4.08Å; F246-F412 AromaticContact CE2-CG 3.9Å; F246-F412 HydrophobicContact CE2-CG 3.9Å; F246-F412 AromaticContact CZ-CD1 3.98Å; F246-F412 HydrophobicContact CZ-CD1 3.98Å; F246-F412 AromaticContact CZ-CD2 3.9Å; F246-F412 HydrophobicContact CZ-CD2 3.9Å; F246-F412 HydrophobicContact CZ-CE1 4.08Å; F246-F412 AromaticContact CZ-CE2 4Å; F246-F412 HydrophobicContact CZ-CE2 4Å; F246-F412 AromaticContact CZ-CG 3.89Å; F246-F412 HydrophobicContact CZ-CG 3.89Å; F246-F412 HydrophobicContact CZ-CZ 4.09Å; F297-F412 HydrophobicContact CD1-CD1 4.12Å; A300-F412 HydrophobicContact CB-CE1 3.77Å; A300-F412 HydrophobicContact CB-CZ 4.02Å; A301-F412 HydrophobicContact CB-CE1 4.33Å; E304-F412 HydrophobicContact CB-CZ 4.45Å; A408-F412 HydrophobicContact CB-CD2 4.03Å; A408-F412 HydrophobicContact CB-CE2 4.13Å; A408-F412 WeakPolarHBondContact O-CB 3.38Å; A408-F412 WeakPolarHBondContact O-CD2 3.32Å; A408-F412 PolarHBondContact O-N 3.26Å; A408-F412 VanDerWaalsContact O-N 3.13Å; F412-A414 PolarHBondContact O-N 3.2Å; F412-A415 PolarHBondContact O-N 3.34Å; F412-F416 VanDerWaalsContact O-CB 3.31Å; F412-F416 WeakPolarHBondContact O-CB 3.43Å; F412-F416 PolarHBondContact O-N 3.12Å
413P94.7Very high92Very high41 Ų4155.2 Ų55.227%0.26632%0.324SS..Hα-helixtrans-63.2-41177.7-24.135.5000113.1W243 R409 F416 A417W243-P413 HydrophobicContact CD2-CG 4.11Å; W243-P413 HydrophobicContact CE3-CB 4.36Å; W243-P413 HydrophobicContact CE3-CG 3.78Å; W243-P413 HydrophobicContact CH2-CB 3.82Å; W243-P413 HydrophobicContact CH2-CG 4.06Å; W243-P413 HydrophobicContact CZ2-CB 4.36Å; W243-P413 HydrophobicContact CZ2-CG 4.35Å; W243-P413 HydrophobicContact CZ3-CB 3.81Å; W243-P413 HydrophobicContact CZ3-CG 3.76Å; R409-P413 VanDerWaalsContact O-CD 3.31Å; R409-P413 WeakPolarHBondContact O-CD 3.49Å; R409-P413 WeakPolarHBondContact O-CG 3.3Å; P413-F416 PolarHBondContact O-N 2.97Å; P413-A417 WeakPolarHBondContact O-CB 3.11Å; P413-A417 PolarHBondContact O-N 3.14Å
414A94.8Very high92.6Very high63 Ų6355.9 Ų55.952%0.52132%0.321SS..Hα-helixtrans-65.2-44.9179.600000112A410 V411 F412 A417 A418A410-A414 VanDerWaalsContact O-CB 3.25Å; A410-A414 WeakPolarHBondContact O-CB 3.43Å; A410-A414 PolarHBondContact O-N 2.97Å; V411-A414 PolarHBondContact O-N 2.82Å; F412-A414 PolarHBondContact O-N 3.2Å; A414-A417 PolarHBondContact O-N 2.9Å; A414-A418 PolarHBondContact O-N 3.48Å
415A95.9Very high93.2Very high39 Ų3958.2 Ų58.232%0.32234%0.335SS..Hα-helixtrans-64.5-42.7176.400000111.5F297 V411 F412 A417 A418 V419F297-A415 HydrophobicContact CE1-CB 4.04Å; F297-A415 HydrophobicContact CZ-CB 4.14Å; V411-A415 WeakPolarHBondContact O-CB 3.42Å; V411-A415 PolarHBondContact O-N 3.34Å; F412-A415 PolarHBondContact O-N 3.34Å; A415-A417 PolarHBondContact O-N 2.99Å; A415-A418 PolarHBondContact O-N 3.2Å; A415-V419 WeakPolarHBondContact O-CG2 3.23Å; A415-V419 PolarHBondContact O-N 3.4Å
416F96.6Very high93.6Very high11 Ų1160.8 Ų60.85%0.04836%0.358CS..Hα-helixtrans-63.3-42.2177.5-174.3-111.2000111.8I236 V239 W243 F297 F412 P413 V419 N420I236-F416 HydrophobicContact CG1-CE1 4.25Å; I236-F416 HydrophobicContact CG1-CZ 4.18Å; I236-F416 HydrophobicContact CG2-CE1 4.2Å; V239-F416 HydrophobicContact CB-CE2 4.36Å; V239-F416 HydrophobicContact CB-CZ 4.19Å; V239-F416 HydrophobicContact CG1-CD1 4.31Å; V239-F416 HydrophobicContact CG1-CD2 4.02Å; V239-F416 HydrophobicContact CG1-CE1 4.3Å; V239-F416 HydrophobicContact CG1-CE2 4.01Å; V239-F416 HydrophobicContact CG1-CG 4.17Å; V239-F416 HydrophobicContact CG1-CZ 4.14Å; V239-F416 HydrophobicContact CG2-CE2 4.06Å; V239-F416 HydrophobicContact CG2-CZ 4.14Å; W243-F416 HydrophobicContact CH2-CB 4.48Å; W243-F416 HydrophobicContact CH2-CD1 4.11Å; W243-F416 HydrophobicContact CZ2-CB 4Å; W243-F416 HydrophobicContact CZ2-CD1 4.07Å; W243-F416 HydrophobicContact CZ2-CG 4.17Å; F297-F416 HydrophobicContact CD1-CB 4.25Å; F297-F416 HydrophobicContact CD1-CD2 4.37Å; F297-F416 AromaticContact CD2-CD2 3.7Å; F297-F416 HydrophobicContact CD2-CD2 3.7Å; F297-F416 HydrophobicContact CD2-CE2 4.35Å; F297-F416 HydrophobicContact CE1-CB 3.9Å; F297-F416 HydrophobicContact CE1-CD2 4.48Å; F297-F416 AromaticContact CE2-CD2 3.85Å; F297-F416 HydrophobicContact CE2-CD2 3.85Å; F297-F416 AromaticContact CG-CD2 3.99Å; F297-F416 HydrophobicContact CG-CD2 3.99Å; F297-F416 HydrophobicContact CZ-CB 4.05Å; F297-F416 HydrophobicContact CZ-CD2 4.24Å; F412-F416 VanDerWaalsContact O-CB 3.31Å; F412-F416 WeakPolarHBondContact O-CB 3.43Å; F412-F416 PolarHBondContact O-N 3.12Å; P413-F416 PolarHBondContact O-N 2.97Å; F416-V419 PolarHBondContact O-N 3.5Å; F416-N420 WeakPolarHBondContact CD1-ND2 3.42Å; F416-N420 WeakPolarHBondContact CE1-ND2 3.21Å; F416-N420 WeakPolarHBondContact CE2-ND2 3.23Å; F416-N420 WeakPolarHBondContact CZ-ND2 3.33Å; F416-N420 WeakPolarHBondContact O-CB 3.41Å; F416-N420 PolarHBondContact O-N 2.99Å; F416-N420 PolarHBondContact O-ND2 2.84Å
417A95.8Very high93.8Very high53 Ų5358.9 Ų58.944%0.43834%0.344SS..Hα-helixtrans-61.1-45.3175.500000111.8P413 A414 A415 N420 V421P413-A417 WeakPolarHBondContact O-CB 3.11Å; P413-A417 PolarHBondContact O-N 3.14Å; A414-A417 PolarHBondContact O-N 2.9Å; A415-A417 PolarHBondContact O-N 2.99Å; A417-N420 PolarHBondContact O-N 3.38Å; A417-V421 WeakPolarHBondContact O-CG2 3.26Å; A417-V421 PolarHBondContact O-N 2.95Å
418A96.2Very high93.6Very high53 Ų5354.4 Ų54.444%0.43833%0.334SS..Hα-helixtrans-61.2-45.8177.300000112.2A414 A415 N420 V421 I422A414-A418 PolarHBondContact O-N 3.48Å; A415-A418 PolarHBondContact O-N 3.2Å; A418-N420 VanDerWaalsContact C-N 3.32Å; A418-N420 PolarHBondContact O-N 3.3Å; A418-V421 PolarHBondContact O-N 3.12Å; A418-I422 WeakPolarHBondContact O-CG1 3.41Å; A418-I422 PolarHBondContact O-N 2.61Å
419V96.4Very high92.5Very high47 Ų4762.1 Ų62.129%0.28537%0.371SS..Hα-helixtrans-64-37.9177.4174.10000111.5I293 F297 A415 F416 I422 Y423I293-V419 HydrophobicContact CD1-CG1 3.95Å; I293-V419 HydrophobicContact CG1-CG1 4.32Å; I293-V419 HydrophobicContact CG2-CG1 3.54Å; F297-V419 HydrophobicContact CE2-CG2 4.37Å; F297-V419 HydrophobicContact CZ-CG2 4.34Å; A415-V419 WeakPolarHBondContact O-CG2 3.23Å; A415-V419 PolarHBondContact O-N 3.4Å; F416-V419 PolarHBondContact O-N 3.5Å; V419-I422 PolarHBondContact O-N 3.06Å; V419-Y423 VanDerWaalsContact O-CB 3.3Å; V419-Y423 WeakPolarHBondContact O-CB 3.34Å; V419-Y423 PolarHBondContact O-N 3.15Å
420N95.5Very high92.6Very high19 Ų1960.8 Ų60.810%0.10237%0.372CS..Hα-helixtrans-61.2-46.2174.7-90-90.3000111.7Y290 F416 A417 A418 I422 Y423 W424Y290-N420 WeakPolarHBondContact CE2-OD1 3.33Å; Y290-N420 PolarHBondContact OH-OD1 3.15Å; Y290-N420 VanDerWaalsContact OH-OD1 3.06Å; F416-N420 WeakPolarHBondContact CD1-ND2 3.42Å; F416-N420 WeakPolarHBondContact CE1-ND2 3.21Å; F416-N420 WeakPolarHBondContact CE2-ND2 3.23Å; F416-N420 WeakPolarHBondContact CZ-ND2 3.33Å; F416-N420 WeakPolarHBondContact O-CB 3.41Å; F416-N420 PolarHBondContact O-N 2.99Å; F416-N420 PolarHBondContact O-ND2 2.84Å; A417-N420 PolarHBondContact O-N 3.38Å; A418-N420 VanDerWaalsContact C-N 3.32Å; A418-N420 PolarHBondContact O-N 3.3Å; N420-I422 VanDerWaalsContact C-N 3.33Å; N420-I422 PolarHBondContact O-N 2.8Å; N420-Y423 PolarHBondContact O-N 3.29Å; N420-W424 PolarHBondContact O-N 3.45Å
421V95.2Very high92.7Very high95 Ų9560.5 Ų60.558%0.57636%0.364SS*.Hα-helixtrans-58.4-47.51771730000110.6A417 A418 Y423 W424 V425A417-V421 WeakPolarHBondContact O-CG2 3.26Å; A417-V421 PolarHBondContact O-N 2.95Å; A418-V421 PolarHBondContact O-N 3.12Å; V421-Y423 VanDerWaalsContact C-N 3.35Å; V421-Y423 PolarHBondContact O-N 2.77Å; V421-W424 PolarHBondContact O-N 2.89Å; V421-V425 HydrophobicContact CG1-CG2 4.44Å; V421-V425 WeakPolarHBondContact O-CB 3.46Å; V421-V425 VanDerWaalsContact O-CG2 3.24Å; V421-V425 WeakPolarHBondContact O-CG2 3.35Å; V421-V425 PolarHBondContact O-N 2.82Å
422I95.7Very high92.6Very high117 Ų11759.2 Ų59.260%0.636%0.355SS*.Hα-helixtrans-59.9-46.3177.9-65.5165.8000110.9A418 V419 N420 V425 A426A418-I422 WeakPolarHBondContact O-CG1 3.41Å; A418-I422 PolarHBondContact O-N 2.61Å; V419-I422 PolarHBondContact O-N 3.06Å; N420-I422 VanDerWaalsContact C-N 3.33Å; N420-I422 PolarHBondContact O-N 2.8Å; I422-V425 PolarHBondContact O-N 3.01Å; I422-A426 WeakPolarHBondContact O-CB 3.35Å; I422-A426 PolarHBondContact O-N 3.1Å
423Y95Very high92.5Very high7 Ų760.8 Ų60.83%0.02737%0.368CS..Hα-helixtrans-59.7-52.1180174.4-90.2000111.7Y232 A286 Y290 I293 V419 N420 V421 V425 A426 Y427Y232-Y423 AromaticContact CE1-CE1 3.68Å; Y232-Y423 HydrophobicContact CE1-CE1 3.68Å; Y232-Y423 PolarHBondContact OH-OH 3.03Å; A286-Y423 PolarHBondContact O-OH 2.77Å; Y290-Y423 AromaticContact CD2-CD1 3.64Å; Y290-Y423 HydrophobicContact CD2-CD1 3.64Å; Y290-Y423 HydrophobicContact CD2-CD2 4.03Å; Y290-Y423 AromaticContact CD2-CE1 3.62Å; Y290-Y423 HydrophobicContact CD2-CE1 3.62Å; Y290-Y423 AromaticContact CD2-CE2 4Å; Y290-Y423 HydrophobicContact CD2-CE2 4Å; Y290-Y423 AromaticContact CD2-CG 3.87Å; Y290-Y423 HydrophobicContact CD2-CG 3.87Å; Y290-Y423 AromaticContact CD2-CZ 3.81Å; Y290-Y423 HydrophobicContact CE2-CD1 4.11Å; Y290-Y423 HydrophobicContact CE2-CE1 4.33Å; Y290-Y423 HydrophobicContact CE2-CG 4.48Å; Y290-Y423 HydrophobicContact CG-CE1 4.23Å; Y290-Y423 HydrophobicContact CG-CE2 4.36Å; I293-Y423 HydrophobicContact CD1-CD2 4.07Å; V419-Y423 VanDerWaalsContact O-CB 3.3Å; V419-Y423 WeakPolarHBondContact O-CB 3.34Å; V419-Y423 PolarHBondContact O-N 3.15Å; N420-Y423 PolarHBondContact O-N 3.29Å; V421-Y423 VanDerWaalsContact C-N 3.35Å; V421-Y423 PolarHBondContact O-N 2.77Å; Y423-V425 VanDerWaalsContact C-N 3.33Å; Y423-V425 PolarHBondContact O-N 3.17Å; Y423-A426 PolarHBondContact O-N 2.89Å; Y423-Y427 AromaticContact CD2-CD2 3.51Å; Y423-Y427 HydrophobicContact CD2-CD2 3.51Å; Y423-Y427 AromaticContact CD2-CE2 3.61Å; Y423-Y427 HydrophobicContact CD2-CE2 3.61Å; Y423-Y427 HydrophobicContact CE1-CD2 4.37Å; Y423-Y427 AromaticContact CE2-CD2 3.31Å; Y423-Y427 HydrophobicContact CE2-CD2 3.31Å; Y423-Y427 AromaticContact CE2-CE2 3.42Å; Y423-Y427 HydrophobicContact CE2-CE2 3.42Å; Y423-Y427 VanDerWaalsContact CE2-CE2 3.42Å; Y423-Y427 HydrophobicContact CE2-CG 4.25Å; Y423-Y427 HydrophobicContact CG-CD2 4.12Å; Y423-Y427 AromaticContact CZ-CD2 3.78Å; Y423-Y427 WeakPolarHBondContact O-CD2 3.33Å; Y423-Y427 PolarHBondContact O-N 2.74Å
424W93.5Very high92.4Very high64 Ų6462.1 Ų62.124%0.24237%0.374CS..Hα-helixtrans-64.2-40.5-177.9-75.9108.1000111.4M150 I228 Y232 N420 V421 A426 T428M150-W424 HydrophobicContact SD-CE3 4.21Å; M150-W424 HydrophobicContact SD-CZ3 3.74Å; I228-W424 HydrophobicContact CD1-CH2 4.36Å; I228-W424 HydrophobicContact CG1-CH2 4.16Å; Y232-W424 HydrophobicContact CD1-CH2 4.02Å; Y232-W424 AromaticContact CD1-CZ2 3.64Å; Y232-W424 HydrophobicContact CD1-CZ2 3.64Å; Y232-W424 HydrophobicContact CE1-CH2 4.04Å; Y232-W424 AromaticContact CE1-CZ2 3.94Å; Y232-W424 HydrophobicContact CE1-CZ2 3.94Å; Y232-W424 HydrophobicContact CG-CH2 4.27Å; Y232-W424 HydrophobicContact CG-CZ2 4.12Å; N420-W424 PolarHBondContact O-N 3.45Å; V421-W424 PolarHBondContact O-N 2.89Å; W424-A426 PolarHBondContact O-N 3.05Å; W424-T428 HydrophobicContact CE3-CG2 3.65Å; W424-T428 HydrophobicContact CZ3-CG2 4.14Å; W424-T428 VanDerWaalsContact O-CB 3.3Å; W424-T428 WeakPolarHBondContact O-CB 3.48Å; W424-T428 WeakPolarHBondContact O-CG2 3.44Å; W424-T428 PolarHBondContact O-N 3.34Å; W424-T428 PolarHBondContact O-OG1 2.82Å
425V93.4Very high92.2Very high71 Ų7162 Ų6243%0.4337%0.365SS..Hα-helixtrans-62.5-42.6175.4172.60000111.6V421 I422 Y423 M429V421-V425 HydrophobicContact CG1-CG2 4.44Å; V421-V425 WeakPolarHBondContact O-CB 3.46Å; V421-V425 VanDerWaalsContact O-CG2 3.24Å; V421-V425 WeakPolarHBondContact O-CG2 3.35Å; V421-V425 PolarHBondContact O-N 2.82Å; I422-V425 PolarHBondContact O-N 3.01Å; Y423-V425 VanDerWaalsContact C-N 3.33Å; Y423-V425 PolarHBondContact O-N 3.17Å; V425-M429 HydrophobicContact CG1-CE 3.51Å; V425-M429 WeakPolarHBondContact O-CB 3.32Å; V425-M429 WeakPolarHBondContact O-CG 3.24Å; V425-M429 PolarHBondContact O-N 2.72Å
426A92.3Very high92Very high60 Ų6063.6 Ų63.650%0.49637%0.368SS..Hα-helixtrans-69.6-32.6-177.700000114.1I422 Y423 W424I422-A426 WeakPolarHBondContact O-CB 3.35Å; I422-A426 PolarHBondContact O-N 3.1Å; Y423-A426 PolarHBondContact O-N 2.89Å; W424-A426 PolarHBondContact O-N 3.05Å
427Y89.5Confident91.6Very high60 Ų6067.7 Ų67.724%0.23539%0.392CS..Hα-helixtrans-105.2-10.2-174-72.8-73.8000114.7A286 Y423A286-Y427 HydrophobicContact CB-CD1 3.27Å; A286-Y427 HydrophobicContact CB-CD2 4.31Å; A286-Y427 HydrophobicContact CB-CE1 3.45Å; A286-Y427 VanDerWaalsContact CB-CE1 3.45Å; A286-Y427 HydrophobicContact CB-CE2 4.46Å; A286-Y427 HydrophobicContact CB-CG 3.73Å; Y423-Y427 AromaticContact CD2-CD2 3.51Å; Y423-Y427 HydrophobicContact CD2-CD2 3.51Å; Y423-Y427 AromaticContact CD2-CE2 3.61Å; Y423-Y427 HydrophobicContact CD2-CE2 3.61Å; Y423-Y427 HydrophobicContact CE1-CD2 4.37Å; Y423-Y427 AromaticContact CE2-CD2 3.31Å; Y423-Y427 HydrophobicContact CE2-CD2 3.31Å; Y423-Y427 AromaticContact CE2-CE2 3.42Å; Y423-Y427 HydrophobicContact CE2-CE2 3.42Å; Y423-Y427 VanDerWaalsContact CE2-CE2 3.42Å; Y423-Y427 HydrophobicContact CE2-CG 4.25Å; Y423-Y427 HydrophobicContact CG-CD2 4.12Å; Y423-Y427 AromaticContact CZ-CD2 3.78Å; Y423-Y427 WeakPolarHBondContact O-CD2 3.33Å; Y423-Y427 PolarHBondContact O-N 2.74Å
428T84.7Confident91.3Very high64 Ų6468.9 Ų68.939%0.39339%0.388SS..Hα-helixtrans-106.8-17.6174.664.40000114.5M150 W424M150-T428 HydrophobicContact CG-CG2 4.23Å; M150-T428 HydrophobicContact SD-CG2 3.71Å; W424-T428 HydrophobicContact CE3-CG2 3.65Å; W424-T428 HydrophobicContact CZ3-CG2 4.14Å; W424-T428 VanDerWaalsContact O-CB 3.3Å; W424-T428 WeakPolarHBondContact O-CB 3.48Å; W424-T428 WeakPolarHBondContact O-CG2 3.44Å; W424-T428 PolarHBondContact O-N 3.34Å; W424-T428 PolarHBondContact O-OG1 2.82Å
429M67.9Low90.8Very high170 Ų17070.4 Ų70.484%0.83738%0.384SS*.  trans-84.20160.3-58.9-149-68.300109.8K147 V425K147-M429 PolarHBondContact NZ-OXT 3.26Å; V425-M429 HydrophobicContact CG1-CE 3.51Å; V425-M429 WeakPolarHBondContact O-CB 3.32Å; V425-M429 WeakPolarHBondContact O-CG 3.24Å; V425-M429 PolarHBondContact O-N 2.72Å

Retrieved 429 of 429 residues in 587.3 ms (Link to these results)

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