A0A077YZN4_TRITR Loading...

Protein EMB 9, a

AlphaFold DB , UniProt , Accession A0A077YZN4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,756 aa.

>A0A077YZN4_TRITR|A0A077YZN4
MGKVVTAICLFSFYLLYERNKLTVNAAVPLDCKGCYPPCICPGQKGERGDRGFPGLPGHPGEPGFMGEEGPEGMRGQPGQQGEHGPAGAKGYRGAQGEPGLRGTAGIPGLIGLPGPSGPQGIPGCNGTDGRPGLPGFPGLSGGRGAPGADGPEGPRGDAGDGGINSVGVKGERGEPGKPGQQGASGIPGRPGVKGEKGEQGAMGPQGPYGLPGPKGAMGSFKAGQKGEKGAAGLPGSPGPPGQGTGALQLQGTQFVRGEEGLPGLKGEKGDVGPVGPTGFPGTDGEPGYPGLKGSKGDPGTCGKLGKRGKDGTRGLHGTKGEKGDAGLPGLPGSPGEKGEIGDEGYPGRRGPQGDPGPPGVAGVGRGMKGAPGMEGPDGLPGPKGHRGKDGLPGYIGKRGPVGLPGPLGEIGQPGSPGYSEKGERGSDGLPGLRGEAGPPGLPGIQGIAGEPGQKGETVYGPPGREGNPGVDGIPGRPGDRGDPGLPGIKGTPGAGQPLTGPPGQEGFAGPPGDAGRIGLPGTPGAPGPKGERGEDCGKCPDGLPGIKGERGDSGLPGYPGVQGPEGVMGLPGPKGRPGAPGKEGGAGMQGPRGSPGLPGFAGAKGEPGDYIAVASLPGLPGFKGERGTPGAPGLRGPVGDTGLDGSPGLPGMPGQKGEQGVVGGRAKHGRMGKIGQPGMKGEPGDSFPGLPGISGAKGARGEPGRPGMDGPVGLPGPEAPIREIKGVPGLPGRPGLIGPKGEPGIPGLPGERGSPGLPGLTGSIGPPGEPGFIGLPGSHGPKGEPGLTGDPGYPGLDGPPGPPGADGIPGVTVVKGMKGEAIVGPIGAEGPSGPKGERGDSGLPGIPGKEGIEGVQGQKGYPGIKGDAGMPGMPGLPGLKGPIGDGGLPGYRGKPGRIGFAGVPGVPGQKGERGTDGLPGAPGLTGARGEPGFPGMDGMPGLPGLKGPAGKVGEPGRPGLPGPRGDVGFAGKPGVDGLIGESGLPGIIGLKGLPGAAGLPGAPGKQGLPGEKGEQNEPGFRGLKGAPGEPGSAAARGPDGPVGPVGFAGTQGPHGVQGIKGEMGDSLPGLPGADGEPGQPGFPGPEGKRGFPGQMGDRGAQGFPGEQGVQGSFGLRGADGLPGLPGRKGEAGTPGLPGSQGRPGLPGESGVAGQKGYPGVPGNPGIDGIQGPPGRHGSKGEQGIAGTPGLSGPTGLVGMKGTDGLPGQRGLQGEMGFPGRPGIPGLIGEKGIAGLQGKVGKPGNPGYPGPVGDAGIPGAAGLLGKGPRGDVGIPGPAGASEPGLPGSKGERGEDGIPGLPGLRGEAGIPGLPGRKGEVGLMGLPGKRGKYGTPGLPGPQGDAGFPGLKGTPGRPGSRGYPGKPGANGHPGSPGERGLSGEQGPAGDRGRDGYFGIPGQKGERGLDGFPGIPGLPGQRGDRGDIGPPGPIDYTKTPGPVGPPGPPGEPGSQGPPGLAGKRGLTGPPGVRGARGEAGLSGIPGRPGLPGPKGLHGDAGYPGKMGMPGLPGPPGYPGVPGVRGRLAPSRGFFFARHSQTTDVPQCPSGTSQLWVGYSLLYIQGDGKSAGQDLGLPGSCLQRFSTMPFMPCNLNNECNIASRNDYTYWLATKEPMTASMAPVTGYAVRPYISRCVVCELPTQIIAVHSQTSDIPVCPQGWDAVWSGYSFIMHTAAGAEGTGQDLQSPGSCLEDFRAIPFIECHGRGTCNHYATNHAFWLAVIDKNQMFKKPFSETLKAGGLKQRISRCQVCMKRPPLES
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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
1M45.3Very low65.4Low217 Ų217107.3 Ų107.3100%1.06960%0.601SS**  0-49.90-68.8-178.3179.100113.8K3 V4M1-K3 PolarHBondContact O-N 3.45Å; M1-V4 PolarHBondContact O-N 3.04Å
2G58.8Low65.7Low52 Ų52103.2 Ų103.254%0.53658%0.584SS.*Hα-helixtrans-40.5-48-169.200000118.2V4 V5 T6G2-V4 VanDerWaalsContact C-N 3.28Å; G2-V4 PolarHBondContact O-N 3.19Å; G2-V5 WeakPolarHBondContact O-CB 3.45Å; G2-V5 PolarHBondContact O-N 3.11Å; G2-V5 VanDerWaalsContact O-N 3.07Å; G2-T6 PolarHBondContact O-N 3.07Å; G2-T6 VanDerWaalsContact O-N 3.12Å; G2-T6 PolarHBondContact O-OG1 3.03Å
3K49.3Very low66.1Low192 Ų192107 Ų10784%0.83559%0.591SS**Hα-helixtrans-60.9-29.3-177.7-66.8-172.9176.9-177.20114.7M1 A7M1-K3 PolarHBondContact O-N 3.45Å; K3-A7 PolarHBondContact O-N 3.22Å; K3-A7 VanDerWaalsContact O-N 3.16Å
4V61.6Low66.2Low96 Ų96110.1 Ų110.158%0.58259%0.591SS**Hα-helixtrans-72.9-37.8176.4-177.90000110.6M1 G2 A7 I8M1-V4 PolarHBondContact O-N 3.04Å; G2-V4 VanDerWaalsContact C-N 3.28Å; G2-V4 PolarHBondContact O-N 3.19Å; V4-A7 PolarHBondContact O-N 3.12Å; V4-I8 HydrophobicContact CG1-CD1 3.97Å; V4-I8 WeakPolarHBondContact O-CG1 3.34Å; V4-I8 PolarHBondContact O-N 3.39Å
5V69.2Low65.9Low88 Ų88109.1 Ų109.153%0.53359%0.585SS.*Hα-helixtrans-63.9-43.8175.8-176.10000110.3G2 A7 I8 C9G2-V5 WeakPolarHBondContact O-CB 3.45Å; G2-V5 PolarHBondContact O-N 3.11Å; G2-V5 VanDerWaalsContact O-N 3.07Å; V5-A7 VanDerWaalsContact C-N 3.35Å; V5-A7 PolarHBondContact O-N 2.86Å; V5-I8 PolarHBondContact O-N 2.99Å; V5-C9 WeakPolarHBondContact O-CB 3.32Å; V5-C9 PolarHBondContact O-N 3.33Å; V5-C9 PolarHBondContact O-SG 2.68Å
6T75.3Confident65.5Low82 Ų82108.2 Ų108.250%0.50358%0.579SS.*Hα-helixtrans-62.1-41176.4-37.80000112.2G2 C9 L10G2-T6 PolarHBondContact O-N 3.07Å; G2-T6 VanDerWaalsContact O-N 3.12Å; G2-T6 PolarHBondContact O-OG1 3.03Å; T6-C9 PolarHBondContact O-N 3.16Å; T6-L10 HydrophobicContact CG2-CD1 4.24Å; T6-L10 WeakPolarHBondContact O-CB 3.25Å; T6-L10 WeakPolarHBondContact O-CG 3.37Å; T6-L10 PolarHBondContact O-N 2.79Å
7A69.2Low65.1Low59 Ų59110.1 Ų110.149%0.48858%0.577SS.*Hα-helixtrans-63.5-44.5176.500000112.2K3 V4 V5 L10 F11K3-A7 PolarHBondContact O-N 3.22Å; K3-A7 VanDerWaalsContact O-N 3.16Å; V4-A7 PolarHBondContact O-N 3.12Å; V5-A7 VanDerWaalsContact C-N 3.35Å; V5-A7 PolarHBondContact O-N 2.86Å; A7-L10 PolarHBondContact O-N 3.45Å; A7-F11 WeakPolarHBondContact O-CB 3.3Å; A7-F11 PolarHBondContact O-N 3.44Å
8I73.2Confident64.4Low104 Ų104108.6 Ų108.653%0.53357%0.567SS.*Hα-helixtrans-64.5-46176.1-67.1169000110.6V4 V5 L10 F11 S12V4-I8 HydrophobicContact CG1-CD1 3.97Å; V4-I8 WeakPolarHBondContact O-CG1 3.34Å; V4-I8 PolarHBondContact O-N 3.39Å; V5-I8 PolarHBondContact O-N 2.99Å; I8-L10 VanDerWaalsContact C-N 3.32Å; I8-L10 PolarHBondContact O-N 3.32Å; I8-F11 PolarHBondContact O-N 2.94Å; I8-S12 WeakPolarHBondContact O-CB 3.42Å; I8-S12 PolarHBondContact O-N 3.3Å; I8-S12 PolarHBondContact O-OG 3.14Å
9C71.4Confident63.5Low66 Ų66113.2 Ų113.245%0.44658%0.576SS.*Hα-helixtrans-59.5-40.4176.5-71.80000112.5V5 T6 F13V5-C9 WeakPolarHBondContact O-CB 3.32Å; V5-C9 PolarHBondContact O-N 3.33Å; V5-C9 PolarHBondContact O-SG 2.68Å; T6-C9 PolarHBondContact O-N 3.16Å; C9-F13 WeakPolarHBondContact O-CB 3.43Å; C9-F13 PolarHBondContact O-N 2.86Å
10L74.2Confident62.6Low116 Ų116113.2 Ų113.261%0.60758%0.577SS**Hα-helixtrans-70.1-37.2175.9-73.1170.8000112.4T6 A7 I8 F13 Y14T6-L10 HydrophobicContact CG2-CD1 4.24Å; T6-L10 WeakPolarHBondContact O-CB 3.25Å; T6-L10 WeakPolarHBondContact O-CG 3.37Å; T6-L10 PolarHBondContact O-N 2.79Å; A7-L10 PolarHBondContact O-N 3.45Å; I8-L10 VanDerWaalsContact C-N 3.32Å; I8-L10 PolarHBondContact O-N 3.32Å; L10-F13 PolarHBondContact O-N 3.31Å; L10-Y14 WeakPolarHBondContact O-CB 3.26Å; L10-Y14 PolarHBondContact O-N 3.11Å
11F72.4Confident61.6Low108 Ų108113.4 Ų113.447%0.47457%0.574SS.*Hα-helixtrans-69-37.3175-149.5-95.8000111.7A7 I8 Y14 L15 P729A7-F11 WeakPolarHBondContact O-CB 3.3Å; A7-F11 PolarHBondContact O-N 3.44Å; I8-F11 PolarHBondContact O-N 2.94Å; F11-Y14 PolarHBondContact O-N 3.05Å; F11-L15 HydrophobicContact CD1-CD1 3.76Å; F11-L15 HydrophobicContact CD1-CG 4.26Å; F11-L15 HydrophobicContact CE1-CD1 3.93Å; F11-L15 HydrophobicContact CE1-CG 4.34Å; F11-L15 WeakPolarHBondContact O-CB 3.45Å; F11-L15 WeakPolarHBondContact O-CG 3.44Å; F11-L15 PolarHBondContact O-N 3.44Å; F11-P729 HydrophobicContact CD2-CG 4.18Å; F11-P729 HydrophobicContact CE2-CB 4.46Å; F11-P729 HydrophobicContact CE2-CG 3.65Å; F11-P729 HydrophobicContact CZ-CG 3.94Å
12S68.4Low61.2Low58 Ų58110.1 Ų110.141%0.40656%0.56SS.*Hα-helixtrans-65.5-40.8170.1-65.30000112.3I8 L15 L16I8-S12 WeakPolarHBondContact O-CB 3.42Å; I8-S12 PolarHBondContact O-N 3.3Å; I8-S12 PolarHBondContact O-OG 3.14Å; S12-L15 PolarHBondContact O-N 3.26Å; S12-L16 VanDerWaalsContact O-CB 3.31Å; S12-L16 WeakPolarHBondContact O-CB 3.43Å; S12-L16 VanDerWaalsContact O-CG 3.31Å; S12-L16 WeakPolarHBondContact O-CG 3.19Å; S12-L16 PolarHBondContact O-N 3.47Å
13F70.8Confident60.1Low153 Ų153111.9 Ų111.967%0.67156%0.561SS**Hα-helixtrans-65-38.7173.3-105.3-86.6000112C9 L10 L16 Y17C9-F13 WeakPolarHBondContact O-CB 3.43Å; C9-F13 PolarHBondContact O-N 2.86Å; L10-F13 PolarHBondContact O-N 3.31Å; F13-L16 PolarHBondContact O-N 3.38Å; F13-Y17 VanDerWaalsContact O-CB 3.25Å; F13-Y17 WeakPolarHBondContact O-CB 3.06Å; F13-Y17 PolarHBondContact O-N 3.37Å
14Y68.5Low59.3Low151 Ų151109.1 Ų109.159%0.59256%0.56SS**Hα-helixtrans-67-42.6176.1-162.4-98.1000111.7L10 F11 L16 Y17 E18L10-Y14 WeakPolarHBondContact O-CB 3.26Å; L10-Y14 PolarHBondContact O-N 3.11Å; F11-Y14 PolarHBondContact O-N 3.05Å; Y14-L16 PolarHBondContact O-N 2.91Å; Y14-Y17 PolarHBondContact O-N 3.04Å; Y14-E18 HydrophobicContact CD1-CG 4.45Å; Y14-E18 HydrophobicContact CE1-CG 4.23Å; Y14-E18 PolarHBondContact O-N 3.14Å
15L61.3Low57.9Low95 Ų95112.1 Ų112.150%0.49757%0.573SS.*Hα-helixtrans-67.4-31.6173.6-73.2171.7000113.2F11 S12 R19F11-L15 HydrophobicContact CD1-CD1 3.76Å; F11-L15 HydrophobicContact CD1-CG 4.26Å; F11-L15 HydrophobicContact CE1-CD1 3.93Å; F11-L15 HydrophobicContact CE1-CG 4.34Å; F11-L15 WeakPolarHBondContact O-CB 3.45Å; F11-L15 WeakPolarHBondContact O-CG 3.44Å; F11-L15 PolarHBondContact O-N 3.44Å; S12-L15 PolarHBondContact O-N 3.26Å; L15-R19 WeakPolarHBondContact O-CB 3.36Å; L15-R19 PolarHBondContact O-N 2.91Å
16L58.6Low56Low94 Ų94112.4 Ų112.449%0.49258%0.584SS.*Hα-helixtrans-72.2-33.5170.5-79165.3000112.1S12 F13 Y14 N20S12-L16 VanDerWaalsContact O-CB 3.31Å; S12-L16 WeakPolarHBondContact O-CB 3.43Å; S12-L16 VanDerWaalsContact O-CG 3.31Å; S12-L16 WeakPolarHBondContact O-CG 3.19Å; S12-L16 PolarHBondContact O-N 3.47Å; F13-L16 PolarHBondContact O-N 3.38Å; Y14-L16 PolarHBondContact O-N 2.91Å; L16-N20 VanDerWaalsContact O-CB 3.24Å; L16-N20 WeakPolarHBondContact O-CB 3.4Å; L16-N20 VanDerWaalsContact O-CG 3.27Å; L16-N20 PolarHBondContact O-N 3.21Å; L16-N20 PolarHBondContact O-ND2 3.37Å
17Y59.8Low54Low140 Ų140112.5 Ų112.555%0.54959%0.593SS.*Hα-helixtrans-75.4-34.4177.6-163.9-110.7000112.2F13 Y14 N20 K21F13-Y17 VanDerWaalsContact O-CB 3.25Å; F13-Y17 WeakPolarHBondContact O-CB 3.06Å; F13-Y17 PolarHBondContact O-N 3.37Å; Y14-Y17 PolarHBondContact O-N 3.04Å; Y17-N20 CarbonylContact O-C 3.56Å; Y17-K21 HydrophobicContact CE1-CD 4.33Å; Y17-K21 VanDerWaalsContact CE1-CE 3.44Å; Y17-K21 WeakPolarHBondContact O-CG 3.28Å; Y17-K21 PolarHBondContact O-N 3.18Å
18E51.4Low52.1Low84 Ų84115 Ų11539%0.39360%0.602SS.*Hα-helixtrans-70.3-41.6168.3-79.5-65.7118.100111.9Y14 N20 K21 L22Y14-E18 HydrophobicContact CD1-CG 4.45Å; Y14-E18 HydrophobicContact CE1-CG 4.23Å; Y14-E18 PolarHBondContact O-N 3.14Å; E18-N20 VanDerWaalsContact C-N 3.34Å; E18-N20 PolarHBondContact O-N 2.82Å; E18-K21 CarbonylContact O-C 3.44Å; E18-K21 PolarHBondContact O-N 3.2Å; E18-L22 PolarHBondContact O-N 3.13Å; E18-L22 VanDerWaalsContact O-N 3.12Å
19R47.4Very low50.4Low196 Ų196115.4 Ų115.474%0.7461%0.611SS**Hα-helixtrans-61.9-40.8172.1-93.4-176.4150.9159.2-6.5112.3L15 K21 L22 T23L15-R19 WeakPolarHBondContact O-CB 3.36Å; L15-R19 PolarHBondContact O-N 2.91Å; R19-K21 PolarHBondContact O-N 3.37Å; R19-L22 PolarHBondContact O-N 3.44Å; R19-L22 VanDerWaalsContact O-N 3.14Å; R19-T23 PolarHBondContact O-N 3.39Å; R19-T23 PolarHBondContact O-OG1 2.85Å
20N45.6Very low48.4Very low113 Ų113119 Ų11960%0.60463%0.626SS**Hα-helixtrans-78.115.7172-67.4-24000113.8L16 Y17 E18L16-N20 VanDerWaalsContact O-CB 3.24Å; L16-N20 WeakPolarHBondContact O-CB 3.4Å; L16-N20 VanDerWaalsContact O-CG 3.27Å; L16-N20 PolarHBondContact O-N 3.21Å; L16-N20 PolarHBondContact O-ND2 3.37Å; Y17-N20 CarbonylContact O-C 3.56Å; E18-N20 VanDerWaalsContact C-N 3.34Å; E18-N20 PolarHBondContact O-N 2.82Å
21K41.2Very low46.4Very low117 Ų117120.7 Ų120.751%0.50964%0.635SS.*Hα-helixtrans-118.9-8.7162.3-78.2-177.3177-176.70113.7Y17 E18 R19Y17-K21 HydrophobicContact CE1-CD 4.33Å; Y17-K21 VanDerWaalsContact CE1-CE 3.44Å; Y17-K21 WeakPolarHBondContact O-CG 3.28Å; Y17-K21 PolarHBondContact O-N 3.18Å; E18-K21 CarbonylContact O-C 3.44Å; E18-K21 PolarHBondContact O-N 3.2Å; R19-K21 PolarHBondContact O-N 3.37Å
22L38.8Very low44.2Very low149 Ų149121.7 Ų121.778%0.7865%0.654SS**Hα-helixtrans-95.5-7.8167.6-100.176.4000113.6E18 R19E18-L22 PolarHBondContact O-N 3.13Å; E18-L22 VanDerWaalsContact O-N 3.12Å; R19-L22 PolarHBondContact O-N 3.44Å; R19-L22 VanDerWaalsContact O-N 3.14Å
23T34.3Very low42.6Very low88 Ų88129.2 Ų129.254%0.5468%0.679SS.*SBendtrans-120.1151162.2500000109.9R19R19-T23 PolarHBondContact O-N 3.39Å; R19-T23 PolarHBondContact O-OG1 2.85Å
24V32.9Very low40.9Very low135 Ų135125.6 Ų125.682%0.81869%0.686SS**SBendtrans64.953.1-168-158.20000114
25N31.4Very low39.4Very low159 Ų159122.8 Ų122.885%0.8569%0.687SS**  -149.839.1126.1-109.1-22.5000112.9A27N25-A27 VanDerWaalsContact C-N 3.25Å; N25-A27 PolarHBondContact O-N 2.89Å
26A30.7Very low38.4Very low93 Ų93126.2 Ų126.277%0.76969%0.694SS**  trans-91.357.9162.800000109.7V28A26-V28 PolarHBondContact O-N 2.75Å
27A33.8Very low37.9Very low84 Ų84126.4 Ų126.469%0.69470%0.701SS**  trans-8070175.800000110.1N25N25-A27 VanDerWaalsContact C-N 3.25Å; N25-A27 PolarHBondContact O-N 2.89Å
28V29.1Very low37.3Very low113 Ų113125.8 Ų125.869%0.68571%0.714SS**  trans-118.290.1172.5-176.80000109.4A26A26-V28 PolarHBondContact O-N 2.75Å
29P37Very low36.6Very low111 Ų111127.2 Ų127.272%0.72173%0.732SS**  trans-64.1128.4142.1-5.724.5000106.8
30L29.5Very low36.1Very low143 Ų143126 Ų12675%0.74974%0.739SS**  cis48.2101.446-60.7154000109
31D31.2Very low35.6Very low151 Ų151126.1 Ų126.181%0.80775%0.747SS**  cis-135.3160.144.1-91-48.5000116.8
32C27.6Very low35.8Very low128 Ų128126.6 Ų126.687%0.86576%0.762SS**  trans-157.693.1165.6-96.90000111.9
33K34.6Very low35.6Very low216 Ų216123 Ų12394%0.93976%0.761SS**  trans-170.5128.5158.8-111.7170.3-176.8179.70111.4
34G34.6Very low35.8Very low78 Ų78128.1 Ų128.180%0.80478%0.779SS**  trans120.6102.2160.700000117.8
35C36.5Very low35.9Very low91 Ų91131.6 Ų131.662%0.61578%0.783SS**  trans-33127169.4-530000119.8
36Y41.2Very low36.4Very low168 Ų168127.4 Ų127.466%0.65978%0.777SS**  41152.9123.3-111.8-117000122.1
37P48.4Very low36.7Very low97 Ų97132.5 Ų132.563%0.6379%0.785SS**  -124.4-171.3-80.146.3-30.2000111.1
38P47.2Very low37.1Very low127 Ų127140 Ų14083%0.82580%0.796SS**  -144.9-170.469.436.1-13.2000114.8
39C34.9Very low38Very low115 Ų115137.8 Ų137.878%0.77780%0.795SS**  trans-101.8157-159.4-49.60000116.5
40I37.9Very low38Very low171 Ų171140.4 Ų140.488%0.87780%0.803SS**  -170.3152.8115.3-96.5160.3000112.4
41C35.1Very low39Very low115 Ų115145.3 Ų145.378%0.77781%0.812SS**  trans-79174.7-173.3-68.20000113.9
42P45.3Very low39.6Very low126 Ų126141.1 Ų141.182%0.81880%0.804SS**  cis-148.1134.52539.1-16.2000121.1
43G34.7Very low40.2Very low73 Ų73145 Ų14575%0.75381%0.807SS**  60.1125.411600000123.8
44Q38Very low41.2Very low197 Ų197140.6 Ų140.692%0.92180%0.8SS**  -157.4118.8126.1-116.4175.677.100114.8
45K34.8Very low41.6Very low207 Ų207140.2 Ų140.290%0.980%0.796SS**  trans24.7100.4147.7-163.3174.6-176.1178.30119.6
46G43.4Very low41.8Very low72 Ų72144.1 Ų144.174%0.74281%0.81SS**  trans-80.6172163.500000114.4
47E36.4Very low42.1Very low199 Ų199141.6 Ų141.693%0.9381%0.814SS**  trans-92177.6-168.6-60.5-173119.900114.8G49E47-G49 PolarHBondContact O-N 3.21Å
48R41.8Very low41.9Very low243 Ų243140.3 Ų140.392%0.91782%0.818SS**  trans-68.1115.7179.3174.4-172-73172.6-3.7110.3
49G47.3Very low41.7Very low65 Ų65143 Ų14367%0.6782%0.819SS**  trans-63.8150.7172.100000113.6E47E47-G49 PolarHBondContact O-N 3.21Å
50D38.3Very low42.4Very low167 Ų167143.4 Ų143.489%0.89382%0.821SS**  trans-63.8152.2-176.3-72.6-62.1000114.1G52D50-G52 PolarHBondContact O-N 3.03Å
51R49.3Very low42.7Very low246 Ų246138.5 Ų138.593%0.92881%0.812SS**  trans-74111.9178.5-167.9-179.7-1671773.7109.4
52G44.3Very low43.1Very low62 Ų62142.2 Ų142.264%0.63982%0.818SS**PPolyproline II helixtrans-53.6147.2178.400000113.4D50D50-G52 PolarHBondContact O-N 3.03Å
53F41.2Very low43.3Very low211 Ų211141.4 Ų141.493%0.92581%0.813SS**PPolyproline II helixtrans-55.2132.8-178.4-68.9-84.9000111.9
54P54.1Low43.8Very low123 Ų123141.3 Ų141.380%0.79981%0.812SS**PPolyproline II helixtrans-59141.7167.3-21.633.4000110.8
55G42.8Very low43.9Very low70 Ų70142 Ų14272%0.72281%0.812SS**PPolyproline II helixtrans-62.9144.5173.900000111.8
56L41.4Very low44.2Very low173 Ų173140.9 Ų140.991%0.90681%0.812SS**PPolyproline II helixtrans-59.1128.9173.9-77.9162.3000110.2
57P48.5Very low44.5Very low115 Ų115140.4 Ų140.475%0.74781%0.808SS**PPolyproline II helixtrans-59142.3169.6-23.734.5000111.2
58G42.6Very low45Very low69 Ų69140.3 Ų140.371%0.71181%0.807SS**PPolyproline II helixtrans-62.1148171.600000111.3
59H43Very low45.1Very low183 Ų183137.9 Ų137.985%0.84781%0.806SS**PPolyproline II helixtrans-60.8134.5178-32.3-57000109.9
60P49.3Very low45.2Very low125 Ų125137.5 Ų137.581%0.81280%0.802SS**PPolyproline II helixtrans-55.7141165.2-22.934000110
61G44.9Very low45.7Very low68 Ų68135.8 Ų135.870%0.70180%0.8SS**PPolyproline II helixtrans-65.1151.816900000110.4
62E43.4Very low45.6Very low193 Ų193133.3 Ų133.390%0.90280%0.799SS**PPolyproline II helixtrans-55.9130.6174.9-65.3-173.9126.900110.2G64E62-G64 PolarHBondContact O-N 3.43Å
63P49.4Very low45.8Very low108 Ų108133.6 Ų133.670%0.70180%0.802SS**PPolyproline II helixtrans-55.7126.8173.2-26.135.1000110.2F65P63-F65 PolarHBondContact O-N 3.17Å
64G46.6Very low45.5Very low71 Ų71132.8 Ų132.873%0.73280%0.804SS**PPolyproline II helixtrans-58.4135176.400000110.4E62 M66E62-G64 PolarHBondContact O-N 3.43Å; G64-M66 PolarHBondContact O-N 2.91Å; G64-M66 VanDerWaalsContact O-N 3.09Å
65F39.5Very low44.8Very low212 Ų212138.8 Ų138.893%0.9381%0.81SS**PPolyproline II helixtrans-49.3120.1177.4-76.9-88.2000110.4P63 G67P63-F65 PolarHBondContact O-N 3.17Å; F65-G67 PolarHBondContact O-N 3.46Å; F65-G67 VanDerWaalsContact O-N 3.14Å
66M40.4Very low45Very low184 Ų184138.7 Ų138.791%0.90681%0.809SS**PPolyproline II helixtrans-58.9118.1173.9-167.5-179.1-60.700107.9G64G64-M66 PolarHBondContact O-N 2.91Å; G64-M66 VanDerWaalsContact O-N 3.09Å
67G50.8Low44.8Very low62 Ų62139.5 Ų139.564%0.63981%0.808SS**PPolyproline II helixtrans-62.2141.3177.300000110.1F65 E69F65-G67 PolarHBondContact O-N 3.46Å; F65-G67 VanDerWaalsContact O-N 3.14Å; G67-E69 PolarHBondContact O-N 3.4Å
68E46.5Very low44.3Very low197 Ų197140.2 Ų140.292%0.92181%0.813SS**PPolyproline II helixtrans-55.5128.2176.6-64.9-175.5141.100110G70E68-G70 PolarHBondContact O-N 2.84Å
69E43.9Very low44.1Very low191 Ų191140.4 Ų140.489%0.89382%0.815SS**PPolyproline II helixtrans-63.9118.7-179-172168.8-152.800109.6G67G67-E69 PolarHBondContact O-N 3.4Å
70G48.5Very low43.7Very low57 Ų57141.7 Ų141.759%0.58882%0.821SS**PPolyproline II helixtrans-64.4140.1-176.300000111.3E68 E72E68-G70 PolarHBondContact O-N 2.84Å; G70-E72 PolarHBondContact O-N 3.35Å
71P48.6Very low43.1Very low131 Ų131145.2 Ų145.285%0.85183%0.827SS**PPolyproline II helixtrans-58.8134.5-17824.6-34.4000111.3G73P71-G73 PolarHBondContact O-N 3.35Å
72E48.5Very low42.8Very low195 Ų195145.1 Ų145.191%0.91183%0.826SS**PPolyproline II helixtrans-55.7121.6-171.9-166.7-179.4-16700112G70 M74G70-E72 PolarHBondContact O-N 3.35Å; E72-M74 PolarHBondContact O-N 3.11Å
73G47.2Very low42.2Very low68 Ų68145.5 Ų145.570%0.70183%0.827SS**PPolyproline II helixtrans-73.2125.3-173.100000112.8P71 R75P71-G73 PolarHBondContact O-N 3.35Å; G73-R75 PolarHBondContact O-N 2.85Å
74M35.1Very low42Very low194 Ų194150 Ų15096%0.95684%0.839SS**PPolyproline II helixtrans-54.5130.1179.6-68.3-173.973.600112.8E72 G76E72-M74 PolarHBondContact O-N 3.11Å; M74-G76 PolarHBondContact O-N 3.27Å
75R40.3Very low41.5Very low249 Ų249149.9 Ų149.994%0.9484%0.838SS**  trans-72.691.5-175.2-163.3-178.5-158.7-178.97.8112.4G73G73-R75 PolarHBondContact O-N 2.85Å
76G46.9Very low41.3Very low68 Ų68146.3 Ų146.370%0.70184%0.836SS**  trans-68.3144.9171.500000113.1M74M74-G76 PolarHBondContact O-N 3.27Å
77Q37.1Very low41.8Very low189 Ų189142.6 Ų142.688%0.88383%0.834SS**  trans-80.4147.9-176-67.6177.1-11.500113.2G79Q77-G79 PolarHBondContact O-N 3.37Å
78P37.5Very low41.5Very low131 Ų131143.3 Ų143.385%0.85184%0.842SS**  trans-77.8109.3173.9-12.929.7000113.5
79G38.9Very low41.2Very low72 Ų72139.1 Ų139.174%0.74284%0.841SS**  trans56.7125.2132.600000122.3Q77Q77-G79 PolarHBondContact O-N 3.37Å
80Q34.2Very low41Very low210 Ų210139.9 Ų139.998%0.98184%0.841SS**  -141.2172.9124.5-112.6-18019.200110.4
81Q37Very low40.8Very low199 Ų199140.2 Ų140.293%0.9385%0.845SS**  trans-139.2145.6-149.6172.6-179.3-17.900113.7
82G38.2Very low40Very low66 Ų66145.1 Ų145.168%0.6885%0.848SS**  trans109.8140.3166.400000114.1
83E31.4Very low39.7Very low201 Ų201147.5 Ų147.594%0.93985%0.848SS**  cis-141.5-177.3-8.2-75.1-155.7107.800111.1
84H44.5Very low39.7Very low202 Ų202147.2 Ų147.294%0.93585%0.845SS**  trans-106.3151.3-160-9285.6000116.9
85G36.4Very low39.7Very low69 Ų69142.9 Ų142.971%0.71184%0.841SS**  trans150157138.500000115.7
86P36.5Very low39.9Very low137 Ų137140 Ų14089%0.8984%0.838SS**  cis-120.2-178.8-19.738.8-24.1000112.6
87A50.2Low39.8Very low106 Ų106139.6 Ų139.688%0.87683%0.834SS**PPolyproline II helixtrans-87.1148-170.200000115.9
88G43.3Very low39.8Very low77 Ų77139.5 Ų139.579%0.79483%0.834SS**PPolyproline II helixtrans-93.3162.7170.600000114.2
89A40Very low40.3Very low110 Ų110139.2 Ų139.291%0.90983%0.832SS**PPolyproline II helixtrans-74.8148.9-16800000115.5
90K40.5Very low40.5Very low206 Ų206139.1 Ų139.190%0.89683%0.831SS**PPolyproline II helixtrans-85.3125.7-176.8-173173.9-175.51710112.1
91G44.8Very low40.7Very low64 Ų64137.6 Ų137.666%0.6683%0.828SS**PPolyproline II helixtrans-66.7160.7176.400000114.5
92Y32.5Very low41.2Very low235 Ų235137.9 Ų137.992%0.92282%0.821SS**PPolyproline II helixtrans-64.9143.8-172.9-66.2-87.4000113.9G94Y92-G94 PolarHBondContact O-N 2.81Å
93R41.5Very low41.5Very low244 Ų244137.7 Ų137.792%0.92182%0.82SS**  trans-66.8114.6174.9172.9-177.8-78174.3-5.3110
94G46.4Very low42.1Very low62 Ų62134.9 Ų134.964%0.63982%0.816SS**PPolyproline II helixtrans-62.4158.1166.300000112Y92Y92-G94 PolarHBondContact O-N 2.81Å
95A36.6Very low41.8Very low103 Ų103129.8 Ų129.885%0.85181%0.809SS**PPolyproline II helixtrans-55.9146.5-175.300000113G97A95-G97 PolarHBondContact O-N 3.38Å
96Q42.9Very low42.1Very low188 Ų188129.5 Ų129.588%0.87981%0.806SS**PPolyproline II helixtrans-63.2119.6176.8177.7172.8-26.700110
97G45.2Very low42.2Very low61 Ų61130.6 Ų130.663%0.62980%0.803SS**PPolyproline II helixtrans-68.5148.2173.600000111.6A95A95-G97 PolarHBondContact O-N 3.38Å
98E37.1Very low41.8Very low187 Ų187131 Ų13187%0.87480%0.796SS**PPolyproline II helixtrans-60.6145176.4-63.5-173.713200111.4G100E98-G100 PolarHBondContact O-N 3.3Å
99P49Very low41.6Very low124 Ų124130.5 Ų130.581%0.80579%0.792SS**PPolyproline II helixtrans-58.4129.4173.9-23.334.1000111.3
100G42.6Very low41.7Very low71 Ų71133.5 Ų133.573%0.73279%0.791SS**PPolyproline II helixtrans-60.4143.7177.100000112E98 R102E98-G100 PolarHBondContact O-N 3.3Å; G100-R102 PolarHBondContact O-N 3.13Å; G100-R102 VanDerWaalsContact O-N 3.14Å
101L39.2Very low41.7Very low177 Ų177131.3 Ų131.393%0.92779%0.788SS**PPolyproline II helixtrans-48.1120.3175.7-80.1160.4000110.5G103L101-G103 PolarHBondContact O-N 3.21Å
102R46Very low41.4Very low205 Ų205131.1 Ų131.177%0.77479%0.786SS**  trans-58.6114.1173.8-173.1-180-171-178.92.6107.7G100G100-R102 PolarHBondContact O-N 3.13Å; G100-R102 VanDerWaalsContact O-N 3.14Å
103G45.1Very low42Very low63 Ų63127.9 Ų127.965%0.64978%0.783SS**PPolyproline II helixtrans-51.3142.5-178.800000111.3L101 A105L101-G103 PolarHBondContact O-N 3.21Å; G103-A105 PolarHBondContact O-N 2.87Å
104T43.3Very low42.4Very low141 Ų141121.9 Ų121.987%0.86578%0.776SS**PPolyproline II helixtrans-49.8123.8173.745.20000109G106T104-G106 PolarHBondContact O-N 3.49Å
105A38.6Very low42.4Very low95 Ų95121.8 Ų121.879%0.78578%0.775SS**PPolyproline II helixtrans-55130.9169.400000107.8G103 I107G103-A105 PolarHBondContact O-N 2.87Å; A105-I107 PolarHBondContact O-N 3.21Å
106G42.3Very low42.9Very low63 Ų63123 Ų12365%0.64978%0.775SS**PPolyproline II helixtrans-53.8140.9172.900000109.2T104 P108T104-G106 PolarHBondContact O-N 3.49Å; G106-P108 VanDerWaalsContact O-CD 3.31Å; G106-P108 WeakPolarHBondContact O-CD 3.42Å
107I39.6Very low43.3Very low160 Ų160119.7 Ų119.782%0.82177%0.772SS**PPolyproline II helixtrans-50.5119.2178.2-60.1171.6000107.1A105 G109A105-I107 PolarHBondContact O-N 3.21Å; I107-G109 PolarHBondContact O-N 3.33Å; I107-G109 VanDerWaalsContact O-N 3.09Å
108P42.5Very low43.6Very low115 Ų115119.7 Ų119.775%0.74777%0.771SS**PPolyproline II helixtrans-55.6122.5174.8-24.434.5000107.7G106 L110G106-P108 VanDerWaalsContact O-CD 3.31Å; G106-P108 WeakPolarHBondContact O-CD 3.42Å; P108-L110 PolarHBondContact O-N 2.97Å
109G38.3Very low43.9Very low67 Ų67117.1 Ų117.169%0.69177%0.771SS**PPolyproline II helixtrans-50.6128.9-177.100000109.5I107 I111I107-G109 PolarHBondContact O-N 3.33Å; I107-G109 VanDerWaalsContact O-N 3.09Å; G109-I111 PolarHBondContact O-N 3.13Å
110L41.7Very low43.7Very low172 Ų172119.8 Ų119.890%0.90177%0.773SS**  trans-45.5118.2-177.9-85.8149.2000109.2P108 G112P108-L110 PolarHBondContact O-N 2.97Å; L110-G112 PolarHBondContact O-N 3.2Å
111I40.4Very low43.9Very low161 Ų161119.3 Ų119.383%0.82677%0.768SS**PPolyproline II helixtrans-54.4116.9171.4-65.1175.5000105.6G109 L113G109-I111 PolarHBondContact O-N 3.13Å; I111-L113 PolarHBondContact O-N 3.32Å
112G39.8Very low43.9Very low60 Ų60118.7 Ų118.762%0.61976%0.764SS**PPolyproline II helixtrans-52.5127.9-174.400000109.6L110 P114L110-G112 PolarHBondContact O-N 3.2Å; G112-P114 WeakPolarHBondContact O-CD 3.39Å; G112-P114 VanDerWaalsContact O-N 3.13Å
113L44.6Very low44.1Very low166 Ų166113.4 Ų113.487%0.86976%0.756SS**PPolyproline II helixtrans-47.5123.6176.2-77.9165.4000108.3I111 G115I111-L113 PolarHBondContact O-N 3.32Å; L113-G115 PolarHBondContact O-N 2.86Å
114P49.4Very low43.8Very low119 Ų119113.9 Ų113.977%0.77376%0.761SS**PPolyproline II helixtrans-52.1121.2175.1-27.235.1000108.5G112G112-P114 WeakPolarHBondContact O-CD 3.39Å; G112-P114 VanDerWaalsContact O-N 3.13Å
115G45.7Very low43.6Very low59 Ų59111.4 Ų111.461%0.60875%0.749SS**PPolyproline II helixtrans-53.9139.8-177.900000109.6L113 S117L113-G115 PolarHBondContact O-N 2.86Å; G115-S117 PolarHBondContact O-N 2.78Å
116P47.2Very low44Very low130 Ų130114.2 Ų114.284%0.84475%0.75SS**PPolyproline II helixtrans-54.8121-177.423.2-33.5000108.9G118P116-G118 PolarHBondContact O-N 2.99Å
117S51.9Low44Very low118 Ų118114.3 Ų114.383%0.82575%0.751SS**PPolyproline II helixtrans-51.7126.7-178.8-55.10000109.4G115G115-S117 PolarHBondContact O-N 2.78Å
118G51.1Low43.9Very low60 Ų60113.6 Ų113.662%0.61976%0.755SS**PPolyproline II helixtrans-53.5145178.600000110.9P116 Q120P116-G118 PolarHBondContact O-N 2.99Å; G118-Q120 PolarHBondContact O-N 3.21Å; G118-Q120 VanDerWaalsContact O-N 3.17Å
119P43.8Very low43.8Very low133 Ų133115.5 Ų115.586%0.86476%0.759SS**PPolyproline II helixtrans-53.9126-17722.7-33.5000109.9G121P119-G121 PolarHBondContact O-N 2.82Å
120Q45.8Very low43.7Very low180 Ų180116 Ų11684%0.84176%0.764SS**PPolyproline II helixtrans-59123.5-172.5-167.6172.221.700109.9G118 I122G118-Q120 PolarHBondContact O-N 3.21Å; G118-Q120 VanDerWaalsContact O-N 3.17Å; Q120-I122 PolarHBondContact O-N 3.32Å
121G46.2Very low43.6Very low62 Ų62119.6 Ų119.664%0.63977%0.765SS**PPolyproline II helixtrans-55.7135.5-179.500000111.2P119 P123P119-G121 PolarHBondContact O-N 2.82Å; G121-P123 VanDerWaalsContact O-CD 3.27Å; G121-P123 WeakPolarHBondContact O-CD 3.31Å; G121-P123 VanDerWaalsContact O-N 3.17Å
122I39.4Very low43.6Very low164 Ų164117.7 Ų117.784%0.84176%0.764SS**PPolyproline II helixtrans-56.4117.9-172.6-54174.2000109.5Q120 G124Q120-I122 PolarHBondContact O-N 3.32Å; I122-G124 PolarHBondContact O-N 3.19Å
123P49.7Very low43.6Very low94 Ų94117.8 Ų117.861%0.6177%0.765SS**PPolyproline II helixtrans-68.1122.8179.1-20.633.6000111.3G121G121-P123 VanDerWaalsContact O-CD 3.27Å; G121-P123 WeakPolarHBondContact O-CD 3.31Å; G121-P123 VanDerWaalsContact O-N 3.17Å
124G39.5Very low43.5Very low73 Ų73117.8 Ų117.875%0.75376%0.764SS**PPolyproline II helixtrans-77.712116700000110.2I122I122-G124 PolarHBondContact O-N 3.19Å
125C38.1Very low43.2Very low89 Ų89117.7 Ų117.760%0.60176%0.764SS**PPolyproline II helixtrans-80.1131.4-176.6-61.20000113
126N47.3Very low42.9Very low153 Ų153118.4 Ų118.482%0.81877%0.771SS**  trans33142.4144.1-55.112.8000120.9
127G41.8Very low42.7Very low65 Ų65121.9 Ų121.967%0.6777%0.773SS**  cis152.5176.9-2.500000112.9
128T38.1Very low42.3Very low145 Ų145122 Ų12289%0.8977%0.771SS**  trans-147.9140.4156.942.20000108.9
129D40Very low41.6Very low156 Ų156122.8 Ų122.883%0.83478%0.78SS**  trans-115.2155.9-166.4-56.5-51.5000113.9
130G35.9Very low41.3Very low77 Ų77125 Ų12579%0.79478%0.783SS**  trans113.5137.1169.300000114.1
131R39.7Very low40.8Very low247 Ų247121.9 Ų121.993%0.93278%0.782SS**  cis-130.9166.211.4-66.8-177.2175.7-157.3-1.5112.1
132P40.3Very low40.5Very low122 Ų122122.7 Ų122.779%0.79279%0.79SS**  trans-89.5139.3-172.2-3.723.4000114.9
133G41.1Very low40.7Very low62 Ų62118.3 Ų118.364%0.63979%0.785SS**  trans89.5123130.600000120.2
134L41.4Very low40.1Very low165 Ų165124.9 Ų124.986%0.86480%0.798SS**  trans-139.4142.5140.6-98.8172.3000108.2
135P43.6Very low40.1Very low117 Ų117124.5 Ų124.576%0.7679%0.794SS**PPolyproline II helixtrans-67.8157.5-178.5-21.734.6000114.1
136G39.3Very low40.1Very low74 Ų74124.6 Ų124.676%0.76380%0.801SS**PPolyproline II helixtrans-79.1155.7-179.600000114.4
137F43.8Very low40.3Very low203 Ų203122.4 Ų122.489%0.8980%0.795SS**PPolyproline II helixtrans-86.6133.7170.2-74.7-86.8000111
138P42.7Very low40.3Very low121 Ų121121.1 Ų121.179%0.78678%0.782SS**PPolyproline II helixtrans-56.6146.7162.4-23.735.1000111.2
139G35.5Very low40.1Very low77 Ų77116.9 Ų116.979%0.79476%0.762SS**PPolyproline II helixtrans-66.1146.8-166.100000115.1
140L38.2Very low40.4Very low178 Ų178117.1 Ų117.193%0.93276%0.763SS**PPolyproline II helixtrans-81.3131.2160.9-78.8168.4000109.5G142L140-G142 PolarHBondContact O-N 3.37Å
141S36.1Very low40.6Very low116 Ų116116.2 Ų116.281%0.81175%0.754SS**PPolyproline II helixtrans-58.3125.6-177.7-52.10000112G143S141-G143 PolarHBondContact O-N 3.44Å; S141-G143 VanDerWaalsContact O-N 3.15Å
142G39.9Very low40.5Very low79 Ų79108.9 Ų108.981%0.81474%0.738SS**PPolyproline II helixtrans-56.5119.1162.900000109.1L140L140-G142 PolarHBondContact O-N 3.37Å
143G42.8Very low40.4Very low72 Ų72112.6 Ų112.674%0.74275%0.745SS**PPolyproline II helixtrans-59.7143.4-169.600000112.9S141 G145S141-G143 PolarHBondContact O-N 3.44Å; S141-G143 VanDerWaalsContact O-N 3.15Å; G143-G145 PolarHBondContact O-N 3.46Å
144R37.9Very low40.3Very low231 Ų231112.3 Ų112.387%0.87274%0.742SS**  trans-64.495.2173.3-174.9-174.1-169-176.94.7109.4A146R144-A146 PolarHBondContact O-N 2.99Å
145G39.8Very low40.4Very low65 Ų65109.3 Ų109.367%0.6773%0.732SS**PPolyproline II helixtrans-51.8133.6165.700000109.5G143G143-G145 PolarHBondContact O-N 3.46Å
146A38.1Very low40.1Very low92 Ų92114.8 Ų114.876%0.7674%0.738SS**PPolyproline II helixtrans-64139.6-174.100000110.8R144 G148R144-A146 PolarHBondContact O-N 2.99Å; A146-G148 PolarHBondContact O-N 3.12Å
147P51Low39.9Very low107 Ų107113.8 Ų113.870%0.69573%0.727SS**PPolyproline II helixtrans-54.9123.9161.1-21.433.3000109.1
148G41.4Very low39.3Very low38 Ų38111.6 Ų111.639%0.39273%0.725SS.*PPolyproline II helixtrans-61.6140.6170.300000109.9A146A146-G148 PolarHBondContact O-N 3.12Å
149A33.1Very low38.9Very low56 Ų56110.3 Ų110.346%0.46372%0.724SS.*PPolyproline II helixtrans-69132.6-171.400000112.8I847A149-I847 HydrophobicContact CB-CD1 4.12Å
150D46.6Very low38.9Very low160 Ų160109.9 Ų109.986%0.85672%0.72SS**PPolyproline II helixtrans-65.2136.8154.1-77.6-46.6000109.2
151G41.5Very low38.8Very low59 Ų59109.4 Ų109.461%0.60872%0.718SS**PPolyproline II helixtrans-69.3145.3175.300000111.7
152P37.6Very low38.6Very low92 Ų92107.4 Ų107.460%0.59772%0.716SS**PPolyproline II helixtrans-82.3145.5-169.832.8-35.7000113.2P848P152-P848 HydrophobicContact CG-CB 4.5Å
153E36.6Very low38.2Very low201 Ų201106.3 Ų106.394%0.93971%0.705SS**  trans-122.6151.2145.5-173.4163.9-124.400109.3
154G39.6Very low37.7Very low55 Ų55110 Ų11057%0.56771%0.706SS**  trans158.1176.7-179.500000110.8
155P43.2Very low37.7Very low102 Ų102105.8 Ų105.866%0.66270%0.7SS**  cis-132.9-153.314.243.5-26.5000113.2
156R38Very low37.9Very low233 Ų233108.5 Ų108.588%0.87971%0.71SS**  trans77.5131.3174.1-114.5-179.7178.5158.20.8114.9
157G35Very low38.1Very low52 Ų52111.6 Ų111.654%0.53672%0.719SS.*  cis97.7134.89.500000111.3
158D30.8Very low37.8Very low158 Ų158109.8 Ų109.885%0.84572%0.719SS**  cis-141.2-166.62.6-50.9-65.7000107.2
159A35.2Very low37.7Very low94 Ų94114.6 Ų114.678%0.77774%0.74SS**  cis-158.8162.2-0.900000108.9
160G34.5Very low38.1Very low68 Ų68117.2 Ų117.270%0.70174%0.741SS**  trans73.3166.9153.500000118.8
161D35.7Very low37.9Very low167 Ų167113.1 Ų113.189%0.89374%0.737SS**  cis-155.7164.8-12.5-126.4-45000113.5
162G32.6Very low37.6Very low75 Ų75117.1 Ų117.177%0.77374%0.74SS**  trans-145.714.1-164.600000118.1
163G30.7Very low38.1Very low55 Ų55124 Ų12457%0.56775%0.754SS**  trans-144.3132.3174.100000112.1
164I34Very low38.4Very low150 Ų150118 Ų11877%0.76975%0.746SS**  67.1102.673.2-69.3175.3000109.6
165N36.9Very low38.3Very low142 Ų142123.9 Ų123.976%0.75976%0.758SS**  cis-150.9152.79.7-65.3-61.6000113
166S44.2Very low38.6Very low123 Ų123125.4 Ų125.486%0.8677%0.768SS**  trans-178.6155.8131.337.30000111.9
167V42Very low38.6Very low157 Ų157117.9 Ų117.995%0.95276%0.763SS**  trans-133.5130.5-176.1178.70000109.3
168G44.9Very low38.9Very low68 Ų68124.2 Ų124.270%0.70178%0.776SS**  trans-173.583.1-176.900000117.2K170G168-K170 PolarHBondContact O-N 3.28Å
169V39.3Very low39.7Very low139 Ų139122.6 Ų122.684%0.84277%0.774SS**  trans26.292.4144.2-169.30000116.7
170K42Very low40.2Very low111 Ų111121.3 Ų121.348%0.48377%0.77SS.*  74.6109.888.2-175.8175.5-178.8159.50116.2G168G168-K170 PolarHBondContact O-N 3.28Å
171G42.2Very low40.3Very low74 Ų74127.5 Ų127.576%0.76378%0.781SS**  trans-144162.9163.700000110.4
172E34.5Very low40.7Very low144 Ų144126.3 Ų126.367%0.67377%0.77SS**  trans-106.4135.6-163.3-68.2176-165.900114.7R1210E172-R1210 IonicContact OE1-CZ 2.8Å; E172-R1210 IonicContact OE1-NH1 2.83Å; E172-R1210 IonicContact OE1-NH2 3.26Å; E172-R1210 PolarHBondContact OE1-NH2 2.91Å
173R49.1Very low41.2Very low237 Ų237125.9 Ų125.989%0.89477%0.766SS**  trans33.590.4166.7-168.6177.7-73.5-172.6-2.3117.9
174G42.5Very low41.5Very low74 Ų74128.1 Ų128.176%0.76378%0.779SS**  trans-85.1156.3143.100000111.4
175E36.6Very low42.2Very low178 Ų178124.8 Ų124.883%0.83277%0.769SS**  trans-86.7166.9179.7-71.8-161.7130.700113.4G177E175-G177 PolarHBondContact O-N 3.14Å
176P50.5Low42.5Very low134 Ų134121.5 Ų121.587%0.8777%0.768SS**  trans-63.5103.1-161.7-26.436.9000116.5K178P176-K178 PolarHBondContact O-N 3.12Å
177G38.5Very low42.7Very low75 Ų75123.1 Ų123.177%0.77377%0.765SS**  trans-89.183.8177.200000114.6E175E175-G177 PolarHBondContact O-N 3.14Å
178K40.8Very low43.1Very low185 Ų185121.6 Ų121.680%0.80476%0.759SS**  trans30.3119.8157-61.8178.5-178.61760119.2P176 G180P176-K178 PolarHBondContact O-N 3.12Å; K178-G180 PolarHBondContact O-N 3.38Å
179P47.9Very low43.2Very low124 Ų124121.9 Ų121.981%0.80576%0.762SS**  trans-57.5116.4140-13.128.8000108.2
180G46.1Very low43.4Very low67 Ų67126.4 Ų126.469%0.69176%0.764SS**THydrogen-bonded Turntrans-148.1130.6-171.700000112.6K178K178-G180 PolarHBondContact O-N 3.38Å
181Q35.7Very low43.8Very low199 Ų199127.6 Ų127.693%0.9378%0.783SS**THydrogen-bonded Turncis-93.5114.3-0.9-75.5-175.6-17.800112.8G183Q181-G183 PolarHBondContact O-N 3.17Å
182Q44.8Very low43.7Very low142 Ų142127.6 Ų127.666%0.66478%0.783SS**  trans-69.5107.5150.6-176.9176.515.500107.8A184 S185Q182-A184 PolarHBondContact O-N 3.28Å; Q182-S185 PolarHBondContact NE2-OG 3.45Å; Q182-S185 PolarHBondContact OE1-OG 2.98Å
183G41.5Very low43.7Very low66 Ų66127.2 Ų127.268%0.6879%0.791SS**  trans-66.7128.1176.400000111.5Q181Q181-G183 PolarHBondContact O-N 3.17Å
184A37.2Very low43.6Very low102 Ų102125.7 Ų125.784%0.84379%0.79SS**  trans44.767167.900000117Q182 G186Q182-A184 PolarHBondContact O-N 3.28Å; A184-G186 PolarHBondContact O-N 3.31Å
185S48.9Very low43.5Very low80 Ų80125.2 Ų125.256%0.55979%0.786SS**  trans-64.296.9163.8-63.20000111.4Q182 I187Q182-S185 PolarHBondContact NE2-OG 3.45Å; Q182-S185 PolarHBondContact OE1-OG 2.98Å; S185-I187 PolarHBondContact O-N 3Å
186G43.3Very low43.3Very low73 Ų73125.9 Ų125.975%0.75379%0.788SS**  trans-71.4103.7-179.300000114.1A184A184-G186 PolarHBondContact O-N 3.31Å
187I47.9Very low42.7Very low156 Ų156128.3 Ų128.380%0.879%0.786SS**  trans36.5103158.8-48.7179.5000116.8S185 G189S185-I187 PolarHBondContact O-N 3Å; I187-G189 PolarHBondContact O-N 3.08Å
188P52.2Low42.7Very low126 Ų126127.9 Ų127.982%0.81878%0.781SS**PPolyproline II helixtrans-61.7122.8165.9-2234.1000112.7
189G46.4Very low42.4Very low74 Ų74128.2 Ų128.276%0.76379%0.785SS**PPolyproline II helixtrans-66140.6171.200000112.3I187I187-G189 PolarHBondContact O-N 3.08Å
190R43.1Very low41.9Very low233 Ų233131.3 Ų131.388%0.87979%0.789SS**PPolyproline II helixtrans-63.2149.3-172.3-68.2-177.9175.2-169.6-1.5113.4G192R190-G192 PolarHBondContact O-N 3.21Å
191P51.4Low41.5Very low136 Ų136131.4 Ų131.488%0.88379%0.79SS**  trans-57.1110162.8-22.934.2000111.3
192G38.9Very low41.5Very low75 Ų75126.9 Ų126.977%0.77379%0.786SS**  trans-92.6106.6-177.800000112.6R190R190-G192 PolarHBondContact O-N 3.21Å
193V34.7Very low41.1Very low136 Ų136128 Ų12882%0.82479%0.794SS**  trans13.4132.2160.6-160.20000118.8G195V193-G195 VanDerWaalsContact C-N 3.32Å; V193-G195 PolarHBondContact O-N 3.39Å
194K46.9Very low41.1Very low205 Ų205127.5 Ų127.589%0.89179%0.789SS**  trans-59.587.3162.1-179.5-170.3174.8-172.90110.9
195G40.2Very low41.3Very low64 Ų64129.1 Ų129.166%0.6679%0.79SS**  trans-64.2156171.700000112.4V193V193-G195 VanDerWaalsContact C-N 3.32Å; V193-G195 PolarHBondContact O-N 3.39Å
196E32.7Very low40.7Very low191 Ų191132.1 Ų132.189%0.89380%0.796SS**  trans-82.5163.5-159.1-63.9-172.6107.800115.5G198E196-G198 PolarHBondContact O-N 2.82Å
197K36.9Very low40.7Very low186 Ų186131.3 Ų131.381%0.80979%0.788SS**  trans-62.5102.9168175.1-162.7172.4-167.30108.3E199K197-E199 PolarHBondContact O-N 3.48Å
198G39.7Very low40.2Very low66 Ų66130.1 Ų130.168%0.6879%0.79SS**  trans-49.7137.1175.800000112.3E196E196-G198 PolarHBondContact O-N 2.82Å
199E33.3Very low40Very low191 Ų191133.6 Ų133.689%0.89379%0.788SS**  trans-66.4152.3-170.1-64.3-170.3111.300113.4K197 G201K197-E199 PolarHBondContact O-N 3.48Å; E199-G201 PolarHBondContact O-N 3.42Å
200Q38.6Very low39.4Very low190 Ų190130.7 Ų130.789%0.88876%0.759SS**  trans-97.578.3-177.1-172.5177.6-17.900110.7
201G36.4Very low38.9Very low68 Ų68126.7 Ų126.770%0.70175%0.754SS**  trans171.8162.3176.200000112E199E199-G201 PolarHBondContact O-N 3.42Å
202A35.7Very low38.8Very low104 Ų104123.7 Ų123.786%0.8673%0.734SS**PPolyproline II helixcis-93.3149.12.200000113.6G204A202-G204 PolarHBondContact O-N 2.93Å
203M36.9Very low38.6Very low166 Ų166123 Ų12382%0.81873%0.727SS**PPolyproline II helixtrans-71.6118.8172.4173.1170.858.500110.4
204G41.7Very low38.8Very low56 Ų56123 Ų12358%0.57773%0.73SS**PPolyproline II helixtrans-60.6144.3169.200000111.1A202 Q206A202-G204 PolarHBondContact O-N 2.93Å; G204-Q206 PolarHBondContact O-N 2.9Å; G204-Q206 VanDerWaalsContact O-N 3.15Å
205P41.5Very low38Very low135 Ų135120.8 Ų120.888%0.87772%0.72SS**PPolyproline II helixtrans-60.5119.5-169.422.8-33.4000111.9G207P205-G207 PolarHBondContact O-N 2.94Å
206Q36.5Very low37.8Very low143 Ų143121.3 Ų121.367%0.66873%0.725SS**  trans-68113.6-177.5-172.8173.963.400110.2G204G204-Q206 PolarHBondContact O-N 2.9Å; G204-Q206 VanDerWaalsContact O-N 3.15Å
207G42.5Very low37.8Very low57 Ų57116.8 Ų116.859%0.58872%0.721SS**PPolyproline II helixtrans-58.4138.4172.500000110.7P205 Y209P205-G207 PolarHBondContact O-N 2.94Å; G207-Y209 PolarHBondContact O-N 3.01Å
208P37.5Very low37.6Very low131 Ų131112.4 Ų112.485%0.85170%0.704SS**PPolyproline II helixtrans-64.7136.8-165.824.4-34.5000112.6G210P208-G210 PolarHBondContact O-N 3.39Å
209Y48.5Very low37.4Very low198 Ų198112.7 Ų112.778%0.77671%0.708SS**PPolyproline II helixtrans-60135174.2-90.6-93.7000111.5G207G207-Y209 PolarHBondContact O-N 3.01Å
210G34.6Very low37.6Very low14 Ų14107.1 Ų107.114%0.14469%0.689CS.*PPolyproline II helixtrans-92.6141.6160.800000110.5P208 P1159P208-G210 PolarHBondContact O-N 3.39Å; G210-P1159 VanDerWaalsContact O-CG 3.3Å; G210-P1159 WeakPolarHBondContact O-CG 3.17Å
211L32.5Very low37.4Very low149 Ų149102.9 Ų102.978%0.7867%0.668SS**PPolyproline II helixtrans-77.1141.1-174.1-70.6170.3000112.4
212P48.1Very low37.2Very low72 Ų72105.3 Ų105.347%0.46866%0.66SS.*PPolyproline II helixtrans-85.4137.4178.733.1-34.9000113.6P1162P212-P1162 HydrophobicContact CB-CG 3.23Å; P212-P1162 HydrophobicContact CG-CG 3.57Å
213G36Very low37.4Very low60 Ų60105.1 Ų105.162%0.61966%0.658SS**PPolyproline II helixtrans-87.2148.4168.500000112.6
214P38.1Very low37.4Very low136 Ų136100.7 Ų100.788%0.88366%0.655SS**PPolyproline II helixtrans-92.8161.9-162.536.1-37.7000115.6
215K30.7Very low36.9Very low160 Ų160107.2 Ų107.270%0.69667%0.67SS**  trans-122.3131.7157.9-167.1-166.2-179.1-159.60109.1E1318K215-E1318 IonicContact NZ-OE1 2.76Å; K215-E1318 PolarHBondContact NZ-OE1 3.43Å; K215-E1318 IonicContact NZ-OE2 2.59Å; K215-E1318 PolarHBondContact NZ-OE2 3.45Å
216G35.2Very low36.5Very low74 Ų74107.5 Ų107.576%0.76366%0.658SS**  trans-72.8170.3-175.900000115.3
217A33.5Very low36.3Very low97 Ų97103.6 Ų103.680%0.80266%0.656SS**  trans-95.7137.9-160.900000116.7
218M31.6Very low35.9Very low93 Ų93106.1 Ų106.146%0.45865%0.652SS.*  trans65.475.2133.5-80.1-140.8-141.500122.5R1315 K1316M218-R1315 HydrophobicContact CE-CB 3.77Å; M218-R1315 WeakPolarHBondContact CE-O 3.31Å; M218-R1315 HydrophobicContact SD-CB 3.89Å; M218-K1316 VanDerWaalsContact C-NZ 3.34Å; M218-K1316 VanDerWaalsContact CG-CE 3.48Å; M218-K1316 PolarHBondContact O-NZ 3.31Å; M218-K1316 HydrophobicContact SD-CB 4.41Å; M218-K1316 VanDerWaalsContact SD-CE 3.54Å; M218-K1316 PolarHBondContact SD-NZ 3.35Å; M218-K1316 VanDerWaalsContact SD-NZ 3.38Å
219G36.7Very low35.7Very low73 Ų73104.6 Ų104.675%0.75363%0.632SS**  trans-77.9141.8150.400000112.9K1316G219-K1316 VanDerWaalsContact C-NZ 3.33Å; G219-K1316 VanDerWaalsContact O-CD 3.29Å; G219-K1316 WeakPolarHBondContact O-CD 3.36Å; G219-K1316 WeakPolarHBondContact O-CE 3.25Å; G219-K1316 PolarHBondContact O-NZ 3.29Å
220S37.5Very low34.9Very low73 Ų7397.4 Ų97.451%0.5162%0.618SS.*  trans-113.1113.5-157.8-63.30000118.7K1316S220-K1316 PolarHBondContact OG-NZ 3.33Å
221F32.8Very low34.9Very low101 Ų101102 Ų10244%0.44366%0.656SS.*  trans63.1149.6151.8-59.4-46.9000118.5R1315 K1316F221-R1315 HydrophobicContact CZ-CG 4.15Å; F221-K1316 HydrophobicContact CD1-CD 3.97Å; F221-K1316 HydrophobicContact CD1-CG 4.2Å; F221-K1316 HydrophobicContact CE1-CB 3.96Å; F221-K1316 HydrophobicContact CE1-CD 3.9Å; F221-K1316 HydrophobicContact CE1-CG 3.93Å; F221-K1316 HydrophobicContact CG-CD 4.48Å; F221-K1316 HydrophobicContact CZ-CB 4.43Å; F221-K1316 HydrophobicContact CZ-CD 4.36Å
222K33.7Very low35.3Very low119 Ų11999.6 Ų99.652%0.51766%0.657SS.*  cis-159.9156.2-18.7-126.3161-175.7146.50107.9D1168 G1169K222-D1168 PolarHBondContact NZ-O 3.13Å; K222-G1169 PolarHBondContact NZ-O 3.45Å
223A38.5Very low34.7Very low101 Ų10199.6 Ų99.684%0.83567%0.67SS**  trans-90.9161.7159.900000109.9
224G37.4Very low34.7Very low73 Ų73105 Ų10575%0.75368%0.683SS**  cis-145.3-143.9-0.300000111
225Q32.3Very low35.1Very low192 Ų192104.3 Ų104.390%0.89768%0.679SS**  cis-157.3140.18-160.3-176.354.900111.4
226K32.9Very low35.5Very low142 Ų142100 Ų10062%0.61768%0.68SS**  trans4391.4155.1-165.8165.6171151.30119.6E228K226-E228 VanDerWaalsContact CE-OE1 3.23Å; K226-E228 WeakPolarHBondContact CE-OE1 3.25Å; K226-E228 WeakPolarHBondContact CE-OE2 3.16Å; K226-E228 HydrophobicContact CG-CB 4.17Å; K226-E228 IonicContact NZ-OE1 2.94Å; K226-E228 PolarHBondContact NZ-OE1 2.89Å; K226-E228 IonicContact NZ-OE2 2.66Å; K226-E228 PolarHBondContact NZ-OE2 2.98Å
227G32Very low35.3Very low60 Ų60101.9 Ų101.962%0.61968%0.682SS**  -83.2160.1123.500000109.1T301G227-T301 WeakPolarHBondContact CA-OG1 3.07Å
228E33.8Very low36Very low110 Ų110103.4 Ų103.451%0.51468%0.683SS.*  trans-140.6156.7-177.5-169.6161.8-10600115K226 G300 T301K226-E228 VanDerWaalsContact CE-OE1 3.23Å; K226-E228 WeakPolarHBondContact CE-OE1 3.25Å; K226-E228 WeakPolarHBondContact CE-OE2 3.16Å; K226-E228 HydrophobicContact CG-CB 4.17Å; K226-E228 IonicContact NZ-OE1 2.94Å; K226-E228 PolarHBondContact NZ-OE1 2.89Å; K226-E228 IonicContact NZ-OE2 2.66Å; K226-E228 PolarHBondContact NZ-OE2 2.98Å; E228-G300 CarbonylContact O-C 3.11Å; E228-G300 WeakPolarHBondContact O-CA 3.5Å; E228-T301 PolarHBondContact N-OG1 3.2Å; E228-T301 PolarHBondContact O-OG1 3.26Å
229K32.4Very low36.2Very low99 Ų99101.8 Ų101.843%0.4369%0.691SS.*  trans84.4156177.4-32.8148.262.7-1660113.7D298 P299 G300K229-D298 VanDerWaalsContact CB-O 3.26Å; K229-D298 WeakPolarHBondContact CB-O 3.41Å; K229-D298 VanDerWaalsContact CE-C 3.48Å; K229-D298 WeakPolarHBondContact CE-O 3.34Å; K229-D298 WeakPolarHBondContact CE-OD1 3.08Å; K229-D298 WeakPolarHBondContact CE-OD2 3.47Å; K229-D298 IonicContact NZ-OD1 3.4Å; K229-D298 PolarHBondContact NZ-OD1 2.67Å; K229-D298 IonicContact NZ-OD2 3.51Å; K229-D298 PolarHBondContact NZ-OD2 3.05Å; K229-P299 WeakPolarHBondContact CE-O 3.3Å; K229-P299 PolarHBondContact NZ-O 2.9Å; K229-G300 PolarHBondContact O-N 2.89Å
230G32.9Very low36.3Very low47 Ų47104.3 Ų104.349%0.48569%0.694SS.*  trans101.241.6172.600000117.3
231A34.2Very low36.6Very low112 Ų112106.7 Ų106.793%0.92671%0.708SS**  trans-74.7123.2158.700000109.8
232A40.6Very low36.8Very low97 Ų97105.2 Ų105.280%0.80272%0.72SS**  trans-120.4133.6169.200000109.2
233G36.9Very low36.8Very low72 Ų72109.1 Ų109.174%0.74274%0.74SS**  trans47.5106.7163.600000118.4P235G233-P235 WeakPolarHBondContact O-CD 3.47Å
234L34.2Very low36.4Very low173 Ų173107 Ų10791%0.90673%0.729SS**PPolyproline II helixtrans-67.3124.9154.8-77.6167.6000109.1
235P48.2Very low36Very low123 Ų123111 Ų11180%0.79974%0.739SS**PPolyproline II helixtrans-62.6153.1165.9-20.934.8000111.1G233G233-P235 WeakPolarHBondContact O-CD 3.47Å
236G37.1Very low35.8Very low69 Ų69105.5 Ų105.571%0.71173%0.733SS**PPolyproline II helixtrans-64.6157.6-17200000114.7P238G236-P238 WeakPolarHBondContact O-CD 3.37Å
237S31.4Very low35.5Very low114 Ų114103.2 Ų103.280%0.79774%0.741SS**PPolyproline II helixtrans-60124.3173.7510000111.6G239S237-G239 PolarHBondContact O-N 3.12Å
238P49.5Very low35.3Very low128 Ų128107.9 Ų107.983%0.83175%0.751SS**PPolyproline II helixtrans-56.1129.9165.7-23.734.8000110.1G236G236-P238 WeakPolarHBondContact O-CD 3.37Å
239G34.3Very low34.9Very low60 Ų60109.7 Ų109.762%0.61976%0.759SS**PPolyproline II helixtrans-74.5155.8-17800000112.5S237 P241S237-G239 PolarHBondContact O-N 3.12Å; G239-P241 WeakPolarHBondContact O-CD 3.41Å
240P39.5Very low34.6Very low125 Ų125111.4 Ų111.481%0.81277%0.773SS**PPolyproline II helixtrans-81.8124.5175.131.7-32.2000111.8
241P43.5Very low34.3Very low124 Ų124118.2 Ų118.281%0.80579%0.792SS**PPolyproline II helixtrans-63.7136142.4-5.123.5000106.9G239G239-P241 WeakPolarHBondContact O-CD 3.41Å
242G38.2Very low34.1Very low69 Ų69116.4 Ų116.471%0.71178%0.784SS**  cis107.5125.22700000108.2
243Q32.6Very low33.8Very low201 Ų201116.1 Ų116.194%0.93977%0.773SS**  cis-166.5157.20.2-147.9174.114.700110.4
244G30.6Very low33.9Very low58 Ų58120.5 Ų120.560%0.59877%0.774SS**  trans90119.4147.800000120.8
245T29.3Very low34.1Very low157 Ų157120.8 Ų120.896%0.96377%0.768SS**  trans62.7156154.864.20000118.2
246G28Very low33.6Very low75 Ų75121.6 Ų121.677%0.77377%0.77SS**  cis-160.3-178.5-3.100000110.1
247A25.2Very low33.8Very low95 Ų95126.5 Ų126.579%0.78577%0.768SS**  trans-82.2140-177.200000113.1
248L28.3Very low33.9Very low158 Ų158124.3 Ų124.383%0.82776%0.762SS**  166.7161.2127.6-87.4161.3000112.5
249Q26.1Very low33.1Very low147 Ų147126.2 Ų126.269%0.68776%0.76SS**  trans29.9120.1157.5-101.159.4-4.300122.9
250L26.5Very low33.7Very low135 Ų135132.7 Ų132.771%0.70777%0.774SS**  trans19127138.3-69.9107.9000122.4
251Q25.4Very low33.3Very low190 Ų190129.9 Ų129.989%0.88877%0.769SS**  trans58.6134.5136.4-64.1-179.3-16.600122
252G30.1Very low32.8Very low74 Ų74132.3 Ų132.376%0.76377%0.774SS**  trans135.581.9141.300000120.4
253T34.7Very low33.5Very low92 Ų92135 Ų13556%0.56478%0.779SS**  trans-19.3156.2148.552.50000119.8F1345T253-F1345 HydrophobicContact CG2-CE1 4.05Å; T253-F1345 HydrophobicContact CG2-CZ 4.21Å
254Q39.2Very low33.9Very low164 Ų164129 Ų12977%0.76677%0.771SS**  cis-169.4175.9-4.6-111.2-173.52.400113.2
255F38.1Very low34Very low178 Ų178135.2 Ų135.278%0.78179%0.789SS**  trans-36.2167.8176.8-57.6-82.1000121.7
256V38.7Very low34.4Very low140 Ų140137.6 Ų137.685%0.84879%0.786SS**  178.7160.796.31420000110.9
257R40Very low34.9Very low173 Ų173137.2 Ų137.265%0.65378%0.782SS**  cis176.1122.9-46158.2-100.3154.2-115.48.6111E259R257-E259 IonicContact CZ-OE1 3.55Å; R257-E259 IonicContact NH1-OE1 3.24Å; R257-E259 PolarHBondContact NH1-OE1 3.34Å; R257-E259 IonicContact NH2-OE1 2.68Å; R257-E259 PolarHBondContact NH2-OE1 2.89Å
258G34Very low35.4Very low67 Ų67142.4 Ų142.469%0.69179%0.79SS**  trans166.6159167.100000114
259E33.6Very low35.8Very low168 Ų168143.1 Ų143.179%0.78579%0.787SS**  cis-154.8-171.4-13.3-158.3141.8-107.800110.6R257R257-E259 IonicContact CZ-OE1 3.55Å; R257-E259 IonicContact NH1-OE1 3.24Å; R257-E259 PolarHBondContact NH1-OE1 3.34Å; R257-E259 IonicContact NH2-OE1 2.68Å; R257-E259 PolarHBondContact NH2-OE1 2.89Å
260E45.3Very low36.4Very low196 Ų196139.1 Ų139.192%0.91679%0.785SS**  trans-121.2151.8-151.7-178.5174-153.200117.1
261G32.7Very low36.8Very low67 Ų67139.1 Ų139.169%0.69179%0.785SS**  trans142.6152.916300000113.7
262L32.9Very low37.4Very low175 Ų175137 Ų13792%0.91679%0.785SS**  cis-149.3159.3-14.8-94.2172.8000108.1
263P52.6Low38.2Very low126 Ų126136.5 Ų136.582%0.81878%0.78SS**  trans-103.6150.5-162.637.5-34.8000116.9
264G41.1Very low38.7Very low74 Ų74138.7 Ų138.776%0.76380%0.796SS**  trans142.1127.7140.800000118.4
265L32.9Very low38.8Very low188 Ų188137.6 Ų137.698%0.98480%0.8SS**  -164.6172127.6-105177.7000110.4
266K37Very low39.4Very low207 Ų207132.4 Ų132.490%0.980%0.797SS**  trans-146.3128.4-169.8175.4-165.3171.4-168.10112.3
267G38Very low39.5Very low67 Ų67132.1 Ų132.169%0.69180%0.798SS**  trans161.7150.6172.300000109.5
268E35.2Very low39.6Very low204 Ų204130.2 Ų130.295%0.95381%0.805SS**  cis-135.4-169.36.4-62.2-166.3119.500112.2
269K37.5Very low40Very low174 Ų174130.3 Ų130.376%0.75781%0.807SS**  trans-153134-179.6170.2-94.6177.5-158.80111.3D271K269-D271 IonicContact NZ-OD1 2.69Å; K269-D271 PolarHBondContact NZ-OD1 2.64Å
270G38.7Very low40.1Very low63 Ų63132.1 Ų132.165%0.64981%0.812SS**  trans164.6149.9162.700000112
271D35.6Very low40.2Very low134 Ų134128.4 Ų128.472%0.71781%0.805SS**  cis-151.6-169.6-17.8-100.9-37.2000110.1K269K269-D271 IonicContact NZ-OD1 2.69Å; K269-D271 PolarHBondContact NZ-OD1 2.64Å
272V37.8Very low40.7Very low146 Ų146128.4 Ų128.489%0.88581%0.805SS**  trans-122.4136.9-159.3177.20000115
273G47.5Very low41.3Very low63 Ų63125.9 Ų125.965%0.64980%0.797SS**  trans104.1172.5155.500000116.1
274P43.4Very low40.4Very low139 Ų139127.7 Ų127.790%0.90380%0.8SS**  cis-105.6-160.99.440.3-33.3000114.6
275V41.8Very low40.3Very low141 Ų141127.4 Ų127.486%0.85580%0.797SS**  trans-130.1133.3-155.3174.60000114.7
276G51Low40.7Very low69 Ų69128 Ų12871%0.71180%0.795SS**  trans76.6166.2147.400000118
277P41.2Very low41Very low133 Ų133124 Ų12486%0.86479%0.79SS**  cis-123.9-177.624.140.8-27.3000116.7
278T41.4Very low40.9Very low133 Ų133124.2 Ų124.282%0.81679%0.793SS**PPolyproline II helixtrans-64.8139.8-170.1-44.80000116.1
279G42.6Very low40.8Very low70 Ų70125.5 Ų125.572%0.72279%0.79SS**PPolyproline II helixtrans-93.6155.3167.600000114.1
280F35.4Very low41Very low206 Ų206123.3 Ų123.390%0.90479%0.794SS**PPolyproline II helixtrans-94.6162.9177.3-86-91.6000112.6
281P48.4Very low40.9Very low118 Ų118124.1 Ų124.177%0.76680%0.803SS**PPolyproline II helixtrans-99.2162.3-160.638.2-36.3000115.9
282G43.9Very low40.8Very low66 Ų66125.3 Ų125.368%0.6881%0.808SS**  trans-134.7124.1155.500000108.7
283T43.9Very low40.7Very low123 Ų123128.5 Ų128.576%0.75581%0.81SS**  87.677.660.960.60000114.2
284D33.7Very low40.3Very low163 Ų163128.7 Ų128.787%0.87281%0.811SS**  60.1116.6126.8-49-26.7000121.9
285G39.4Very low40Very low69 Ų69128.2 Ų128.271%0.71181%0.812SS**  trans-154.6128.5156.900000108.2P287G285-P287 WeakPolarHBondContact O-CD 3.24Å
286E42.3Very low39.7Very low200 Ų200129.9 Ų129.994%0.93581%0.807SS**PPolyproline II helixtrans-79.1128.5-150.5-61.7-170.7109.900117.2
287P42.2Very low39.1Very low122 Ų122130 Ų13079%0.79281%0.808SS**PPolyproline II helixtrans-91.5135159.1-6.126.6000111.7G285G285-P287 WeakPolarHBondContact O-CD 3.24Å
288G37.3Very low38.6Very low73 Ų73128.7 Ų128.775%0.75379%0.794SS**PPolyproline II helixtrans-70141.5-167.500000118
289Y32.2Very low38.5Very low231 Ų231125.4 Ų125.491%0.90678%0.775SS**  trans43.385.8159.2-69.6-71.9000120.3G291Y289-G291 PolarHBondContact O-N 3.07Å
290P41Very low38.3Very low127 Ų127123.4 Ų123.483%0.82576%0.755SS**  trans-74116.4158.5-11.528.3000112.1L292P290-L292 PolarHBondContact O-N 3.24Å
291G37Very low38.2Very low81 Ų81118.3 Ų118.384%0.83574%0.74SS**  trans-78.1106.1176.700000114.1Y289Y289-G291 PolarHBondContact O-N 3.07Å
292L34Very low37.5Very low158 Ų158118.8 Ų118.883%0.82775%0.745SS**  trans3994.3163.2-70.5171.8000118.2P290 G294P290-L292 PolarHBondContact O-N 3.24Å; L292-G294 PolarHBondContact O-N 3.07Å
293K36.3Very low37.5Very low214 Ų214119.2 Ų119.293%0.9375%0.749SS**PPolyproline II helixtrans-64.9118.6172.9-178-177.2-174.1175.20112.9
294G39.1Very low37Very low66 Ų66123 Ų12368%0.6876%0.755SS**PPolyproline II helixtrans-65.3151.6172.600000113.9L292L292-G294 PolarHBondContact O-N 3.07Å
295S35.8Very low37Very low130 Ų130123.7 Ų123.791%0.90976%0.758SS**PPolyproline II helixtrans-67.8146.2178.248.90000112.5
296K36.9Very low36.9Very low175 Ų175123.6 Ų123.676%0.76176%0.757SS**PPolyproline II helixtrans-84.6125.5-153.8-173.4179.4-179.7-177.40113.7D298K296-D298 PolarHBondContact O-N 3.25Å
297G36.4Very low36.4Very low71 Ų71123.4 Ų123.473%0.73275%0.754SS**  trans-67.680.7159.400000111.9
298D31Very low36Very low106 Ų106127.4 Ų127.457%0.56775%0.753SS**  trans9.6109148.1-16012000117.4K229 K296K229-D298 VanDerWaalsContact CB-O 3.26Å; K229-D298 WeakPolarHBondContact CB-O 3.41Å; K229-D298 VanDerWaalsContact CE-C 3.48Å; K229-D298 WeakPolarHBondContact CE-O 3.34Å; K229-D298 WeakPolarHBondContact CE-OD1 3.08Å; K229-D298 WeakPolarHBondContact CE-OD2 3.47Å; K229-D298 IonicContact NZ-OD1 3.4Å; K229-D298 PolarHBondContact NZ-OD1 2.67Å; K229-D298 IonicContact NZ-OD2 3.51Å; K229-D298 PolarHBondContact NZ-OD2 3.05Å; K296-D298 PolarHBondContact O-N 3.25Å
299P39.7Very low36.1Very low65 Ų65126.6 Ų126.642%0.42275%0.745SS.*  trans-86166.1177.1-15.733.5000116K229K229-P299 WeakPolarHBondContact CE-O 3.3Å; K229-P299 PolarHBondContact NZ-O 2.9Å
300G38.4Very low36.2Very low28 Ų28124 Ų12429%0.28974%0.738SS.*  trans-172.2157-169.100000119.8E228 K229E228-G300 CarbonylContact O-C 3.11Å; E228-G300 WeakPolarHBondContact O-CA 3.5Å; K229-G300 PolarHBondContact O-N 2.89Å
301T33.4Very low35.9Very low98 Ų98124.5 Ų124.560%0.60173%0.734SS**  trans44.476.2177.663.10000115.9G227 E228G227-T301 WeakPolarHBondContact CA-OG1 3.07Å; E228-T301 PolarHBondContact N-OG1 3.2Å; E228-T301 PolarHBondContact O-OG1 3.26Å
302C35Very low35.8Very low128 Ų128123.9 Ų123.987%0.86573%0.727SS**  trans-61.6159.5143.4-165.50000109.8
303G43.6Very low35.9Very low75 Ų75123.9 Ų123.977%0.77373%0.734SS**  trans-67.3168.5-175.100000115.1
304K32.4Very low36Very low202 Ų202125.4 Ų125.488%0.87873%0.734SS**  trans-113.7129.7-177.7-57.2172.5-175.9172.50111.8
305L33.8Very low35.8Very low178 Ų178125.2 Ų125.293%0.93273%0.732SS**  trans-167.4141.4141-133.565.2000109
306G38.1Very low35.8Very low67 Ų67126.2 Ų126.269%0.69173%0.726SS**  cis-168.9-177.1-500000113.3
307K31Very low35.8Very low197 Ų197126.5 Ų126.586%0.85773%0.73SS**  trans-136.9149.8163-61.9-174.7179.9-175.60105.2
308R33.5Very low35.9Very low205 Ų205126 Ų12677%0.77473%0.725SS**  cis-156.6168.528.4-165.3172.9-164.3-172.96.8105.3H1177R308-H1177 PolarHBondContact O-CD2 3.31Å; R308-H1177 PolarHBondContact O-NE2 3.06Å
309G39.8Very low36.1Very low57 Ų57128.3 Ų128.359%0.58874%0.743SS**  cis158.8-142.5-3.400000108.5
310K33.8Very low36Very low177 Ų177135.3 Ų135.377%0.7777%0.767SS**  trans85.6151.9-179.1-59.4-166.8154.7-158.50116
311D35.7Very low36.2Very low137 Ų137136.7 Ų136.773%0.73378%0.781SS**  cis-162.9161.6-24-90.9-24.7000105
312G35.3Very low36.5Very low67 Ų67140.6 Ų140.669%0.69179%0.792SS**  cis153.185.1-1.300000111
313T35.1Very low36.8Very low159 Ų159144.5 Ų144.598%0.97580%0.795SS**  trans-68.7130.7-172.846.90000113.9
314R37.6Very low36.5Very low246 Ų246143.8 Ų143.893%0.92879%0.787SS**  trans-136.6146.1-179173.6-172.6-178.9-170.71.2107.1
315G35.2Very low36.6Very low61 Ų61142.2 Ų142.263%0.62979%0.789SS**  cis152.1155.6-0.200000110.2
316L35.7Very low36.9Very low152 Ų152138.6 Ų138.680%0.79678%0.784SS**  trans-150.8157.9-177-69.2175.1000109.4
317H36.5Very low37Very low180 Ų180138.7 Ų138.783%0.83379%0.785SS**  cis-118.8-110.9-4-65.495.1000110.3
318G39.8Very low37.1Very low61 Ų61137.5 Ų137.563%0.62979%0.787SS**  trans-148.1-169.8172.700000109.7
319T35.4Very low37.3Very low154 Ų154133.5 Ų133.595%0.94579%0.788SS**  cis-153.7174.91.6-18.50000110.3
320K37.7Very low37Very low212 Ų212134.5 Ų134.592%0.92280%0.798SS**  trans-84.8138.4-176.1174.7-172.7174.3-170.40112
321G42.8Very low37.4Very low58 Ų58134.4 Ų134.460%0.59881%0.805SS**  trans-152170.917500000113.1
322E39.7Very low37.4Very low179 Ų179134 Ų13484%0.83681%0.81SS**  trans-58.7150.2-179.1-62.277-164.900112.2
323K40.8Very low37.4Very low211 Ų211134.3 Ų134.392%0.91781%0.813SS**  cis67.256.231.7-152-160.3173-173.70115.7
324G36.6Very low37.9Very low59 Ų59132.3 Ų132.361%0.60881%0.805SS**  trans-128.7159.2160.600000111.2
325D35.5Very low38Very low170 Ų170126.7 Ų126.791%0.90980%0.801SS**  cis-133.5157.70.2-78.6-50.4000113.1
326A38.5Very low38.3Very low101 Ų101127.3 Ų127.384%0.83581%0.807SS**  trans-77152.3176.500000111.2
327G40.8Very low38.2Very low70 Ų70129.7 Ų129.772%0.72281%0.814SS**  trans-82.6-173.6172.500000112.6
328L32.8Very low38.4Very low172 Ų172129.4 Ų129.490%0.90181%0.81SS**  trans-176.3160.4158.6-94.1165.6000106.1
329P38.4Very low38.5Very low121 Ų121129.9 Ų129.979%0.78682%0.816SS**  -132.9179.9-55.736.6-19.9000113
330G33.7Very low38.6Very low77 Ų77129 Ų12979%0.79480%0.801SS**  trans121.5127149.900000118.7
331L42.2Very low38.8Very low175 Ų175126.8 Ų126.892%0.91680%0.797SS**  trans-89.8171.8160.6-70.2131.5000108.9
332P35.5Very low38.8Very low130 Ų130126.6 Ų126.684%0.84480%0.795SS**  cis-128.2-168.816.442.8-25.2000113
333G34.3Very low38.9Very low73 Ų73123.5 Ų123.575%0.75379%0.785SS**  cis167.6151.2-8.700000110.7
334S47.3Very low38.9Very low116 Ų116119.4 Ų119.481%0.81177%0.769SS**  trans-92.1139.7179.155.80000112
335P39.3Very low39.1Very low128 Ų128118.4 Ų118.483%0.83176%0.758SS**  -157164.48840.8-22.6000117.9
336G40.2Very low39.8Very low74 Ų74116.6 Ų116.676%0.76374%0.74SS**  trans72.8154.9156.700000117.9
337E34.9Very low40.1Very low203 Ų203117.8 Ų117.895%0.94974%0.739SS**  cis-143.2-170.4-4.8-75.3-157.3105.300111.2
338K40.5Very low40.2Very low173 Ų173118.2 Ų118.275%0.75274%0.743SS**  trans-81.1141.9-171.7-176.3-161.3-176.9-158.70113.9E340K338-E340 WeakPolarHBondContact CE-OE1 3.12Å; K338-E340 IonicContact NZ-OE1 2.6Å; K338-E340 PolarHBondContact NZ-OE1 3.37Å
339G41.2Very low40.8Very low72 Ų72122 Ų12274%0.74275%0.746SS**  trans-130.4161.3160.600000110.9
340E38.9Very low40.7Very low135 Ų135126.8 Ų126.863%0.63175%0.748SS**  trans-125.2143.6-155.3-54.1-164.7129.100117K338K338-E340 WeakPolarHBondContact CE-OE1 3.12Å; K338-E340 IonicContact NZ-OE1 2.6Å; K338-E340 PolarHBondContact NZ-OE1 3.37Å
341I40.8Very low41.3Very low165 Ų165125.7 Ų125.785%0.84674%0.737SS**  trans61.3135.9140.1-67.3169.1000119.1
342G43.5Very low41.2Very low54 Ų54124 Ų12456%0.55774%0.736SS**  cis-177-175.90.400000114.2
343D41Very low41.9Very low114 Ų114126.3 Ų126.361%0.6174%0.736SS**  trans-93.3-177.5173.9-117.3-38.9000110.3I899D343-I899 PolarHBondContact OD1-N 3.34Å
344E40.3Very low42.5Very low125 Ų125125.5 Ų125.558%0.58473%0.727SS**  cis-136.2-158.420.4-137.8-136.3120.200110.2Y346 G900E344-Y346 PolarHBondContact OE1-N 2.98Å; E344-G900 PolarHBondContact O-N 3.2Å; E344-G900 VanDerWaalsContact O-N 3.11Å
345G41.2Very low41.8Very low38 Ų38127.6 Ų127.639%0.39273%0.73SS.*  cis176.2-173.87.300000118.4
346Y50Low42.6Very low133 Ų133127 Ų12752%0.52273%0.726SS.*  trans-98.1135.3-175.5-83.9-74.1000116.1E344 K895 P896E344-Y346 PolarHBondContact OE1-N 2.98Å; Y346-K895 VanDerWaalsContact CE2-O 3.28Å; Y346-K895 WeakPolarHBondContact CE2-O 3.2Å; Y346-K895 WeakPolarHBondContact OH-CB 3.07Å; Y346-P896 WeakPolarHBondContact CE2-O 3.22Å; Y346-P896 VanDerWaalsContact CZ-O 3.3Å; Y346-P896 PolarHBondContact OH-O 3.41Å
347P45.8Very low42.7Very low125 Ų125126.6 Ų126.681%0.81272%0.721SS**  trans-134.5156.7137.836-23.6000112.1
348G42.1Very low43.3Very low79 Ų79122.9 Ų122.981%0.81472%0.715SS**  cis-171.2163.3-5.600000109.9
349R45.7Very low43.9Very low252 Ų252121.1 Ų121.195%0.95172%0.721SS**  trans-97.5146.1-176.9-73.1-175.1174.6-1552.4113.6
350R35.4Very low43.9Very low221 Ų221121.3 Ų121.383%0.83472%0.723SS**  trans158.3146.2136.1-174.4175.6-60.9-135.94.4108.7
351G47.2Very low44Very low55 Ų55122.2 Ų122.257%0.56774%0.737SS**  cis-161.1-167.2-3.600000109.8
352P40.7Very low44.1Very low138 Ų138119.1 Ų119.190%0.89674%0.736SS**  trans-67.1138.4175.329.5-34.2000110.9
353Q49.2Very low44.3Very low179 Ų179120.2 Ų120.284%0.83675%0.748SS**  trans-84126.7-178.6-179.8168.7-3.600110.6
354G46.4Very low44.2Very low56 Ų56122.4 Ų122.458%0.57777%0.765SS**  trans-83.3176.8168.700000112.3
355D34.3Very low44.4Very low161 Ų161119.8 Ų119.886%0.86177%0.772SS**PPolyproline II helixtrans-60.6146.8-166-59.5-70000114.7G357D355-G357 PolarHBondContact O-N 3.18Å
356P56Low44.3Very low116 Ų116130.6 Ų130.675%0.75380%0.801SS**PPolyproline II helixtrans-72.7125.4-169.2-18.433000114.3
357G41.4Very low44Very low64 Ų64127.4 Ų127.466%0.6681%0.809SS**PPolyproline II helixtrans-73.9150159.200000111.9D355D355-G357 PolarHBondContact O-N 3.18Å
358P46.8Very low43.4Very low125 Ų125130.5 Ų130.581%0.81282%0.815SS**PPolyproline II helixtrans-76.4161.1-168.129.9-36.1000114.8
359P54.5Low43Very low136 Ų136136.1 Ų136.188%0.88382%0.817SS**PPolyproline II helixtrans-80.5140.6-164.4-14.131.3000115.3
360G40.8Very low42.6Very low76 Ų76127.8 Ų127.878%0.78481%0.809SS**PPolyproline II helixtrans-100.1134.817000000113
361V42Very low42.7Very low154 Ų154121.9 Ų121.993%0.93381%0.808SS**  trans-45.7146.7-173.5-1690000115.8
362A41.7Very low42.9Very low100 Ų100125.6 Ų125.683%0.82682%0.822SS**  trans-83.9152.3-177.800000115.1
363G47.2Very low42.7Very low78 Ų78122.6 Ų122.680%0.80482%0.816SS**  trans-160.7127.1171.600000112.2
364V40.3Very low42.3Very low159 Ų159122.9 Ų122.996%0.96482%0.819SS**  trans-91.1140-170.8178.50000112.1
365G44.8Very low41.8Very low71 Ų71129.2 Ų129.273%0.73283%0.834SS**  trans172.6129.316100000116.1
366R39Very low42.2Very low264 Ų264124.6 Ų124.6100%0.99682%0.824SS**  trans-98148.8163.6-57.9175.7-179.1-177.9-0.1108.1
367G42.2Very low41.8Very low67 Ų67124.5 Ų124.569%0.69182%0.824SS**  cis156.9160.8-5.100000111.5
368M33.5Very low41.8Very low189 Ų189128.7 Ų128.793%0.93183%0.831SS**  trans66.9146.9176.1-73.1-166.1176.500117.4
369K33.8Very low41.5Very low197 Ų197125.9 Ų125.986%0.85782%0.824SS**  cis-164.9142.5-16.2-178.6179-175.5-174.30108.9
370G38.1Very low40.7Very low77 Ų77126.8 Ų126.879%0.79482%0.821SS**  trans-162.4154.617500000111.2
371A36.2Very low41.3Very low98 Ų98129.1 Ų129.181%0.8182%0.822SS**  trans-120.6159.9-169.100000112.7
372P51.6Low41.1Very low133 Ų133125.2 Ų125.286%0.86481%0.813SS**  trans-96.8171.9-160.238.7-37.6000115
373G37.9Very low40.9Very low74 Ų74127.2 Ų127.276%0.76382%0.818SS**  trans-128151.5160.300000111.4
374M39.8Very low41Very low185 Ų185133.6 Ų133.691%0.91182%0.823SS**  trans-82.7150.3161.5-66.3156.657.400107.3
375E35.1Very low40.9Very low189 Ų189128.9 Ų128.988%0.88381%0.807SS**  175.5160.274.7-178.1160.2-142.100106.4
376G43.2Very low40.6Very low64 Ų64135 Ų13566%0.6682%0.816SS**  cis-176.4-1548.100000113.6
377P48Very low41.2Very low114 Ų114131 Ų13174%0.7480%0.801SS**  trans-85.3178.6176.540.6-38.2000111.3
378D41.6Very low41.4Very low153 Ų153129.8 Ų129.882%0.81879%0.789SS**  cis-151.7175.96.5-142.6-27.1000110.9
379G40.1Very low41.7Very low65 Ų65126.9 Ų126.967%0.6777%0.771SS**  trans-157.4104.3178.900000116.9
380L38.5Very low42.4Very low156 Ų156120.5 Ų120.582%0.81775%0.746SS**  trans-109.9171.8178.7-63173.1000110.9
381P52.1Low43Very low124 Ų124120 Ų12081%0.80574%0.741SS**  -136.1166.4-98.729.8-5.9000118.2
382G37.8Very low43.4Very low72 Ų72122.8 Ų122.874%0.74274%0.742SS**  trans99.2175.2160.300000116.8
383P38.5Very low43.4Very low142 Ų142122.2 Ų122.292%0.92274%0.738SS**  cis-110.3-146.4-4.940.7-28.8000113.1
384K48.2Very low43.7Very low212 Ų212121.7 Ų121.792%0.92273%0.732SS**  trans-137.2137.9-155.7-179.2-177.8-177.9177.90116.2
385G39.1Very low43.8Very low61 Ų61122.7 Ų122.763%0.62973%0.727SS**  trans147.2144.7164.800000112.4
386H37.6Very low44.1Very low198 Ų198120.5 Ų120.592%0.91772%0.72SS**  cis-143.2-179.32.9-76-94.9000111.6
387R52.4Low44.1Very low181 Ų181120.7 Ų120.768%0.68372%0.723SS**  trans-80.9136.2-174.6-72.6-174.3106.8-158-16.3114N1017 P1019R387-N1017 PolarHBondContact NH2-O 3.03Å; R387-P1019 HydrophobicContact CB-CB 3.76Å; R387-P1019 HydrophobicContact CB-CG 3.49Å; R387-P1019 VanDerWaalsContact CB-CG 3.49Å; R387-P1019 HydrophobicContact CG-CB 4.03Å; R387-P1019 HydrophobicContact CG-CG 3.57Å
388G47.2Very low43.5Very low41 Ų41124.7 Ų124.742%0.42373%0.728SS.*  trans-133.4145.6171.500000115.4E1018 P1019 G1020G388-E1018 CarbonylContact O-C 3.45Å; G388-E1018 WeakPolarHBondContact O-CB 3.37Å; G388-P1019 VanDerWaalsContact C-CD 3.43Å; G388-P1019 WeakPolarHBondContact O-CD 3.42Å; G388-G1020 CarbonylContact C-O 3.51Å; G388-G1020 WeakPolarHBondContact CA-O 3.04Å
389K40Very low43.5Very low128 Ų128129.5 Ų129.556%0.55774%0.735SS**  trans-77.5152.6-148.1-121.4162.7-161.5176.60120.8E1018 G1020K389-E1018 CarbonylContact C-O 3.48Å; K389-E1018 WeakPolarHBondContact CA-O 3.4Å; K389-G1020 VanDerWaalsContact CA-N 3.31Å; K389-G1020 WeakPolarHBondContact CB-O 3.44Å; K389-G1020 PolarHBondContact N-O 2.96Å
390D47.3Very low44.1Very low63 Ų63129 Ų12934%0.33773%0.73SS.*  trans-48.5123.1177.2-102.6-2.8000113.9N1017 E1018D390-N1017 VanDerWaalsContact OD2-CA 3.23Å; D390-N1017 WeakPolarHBondContact OD2-CA 3.39Å; D390-N1017 PolarHBondContact OD2-N 3.13Å; D390-E1018 HydrophobicContact CB-CB 4.45Å; D390-E1018 VanDerWaalsContact N-C 3.32Å; D390-E1018 PolarHBondContact N-O 2.91Å; D390-E1018 WeakPolarHBondContact OD1-CA 3.05Å; D390-E1018 WeakPolarHBondContact OD1-CB 3.02Å; D390-E1018 PolarHBondContact OD1-N 3.34Å
391G50.6Low44.6Very low67 Ų67128.2 Ų128.269%0.69173%0.734SS**  trans-9883.8-177.600000115.3
392L46Very low44.4Very low157 Ų157128.3 Ų128.382%0.82273%0.732SS**  trans6.4120.7152.1-69.3160.2000119
393P51.6Low44.8Very low120 Ų120128.3 Ų128.378%0.77973%0.732SS**  trans-69.6143.6163-16.931.3000113.6
394G42.5Very low45.2Very low63 Ų63128.9 Ų128.965%0.64973%0.727SS**  trans175174172.900000111.7
395Y43.8Very low45.3Very low206 Ų206124.2 Ų124.281%0.80872%0.718SS**  cis-172.5163.9-12.9-79.1-48.1000106.1
396I40.8Very low45.9Very low143 Ų143124.6 Ų124.673%0.73372%0.722SS**  cis-160.5154.5-8.9-112.3164.5000104.8K398I396-K398 HydrophobicContact CG2-CG 4.45Å
397G42.1Very low46.5Very low69 Ų69121.1 Ų121.171%0.71172%0.717SS**  cis-164.2-131.26.700000107.6
398K37Very low45.9Very low198 Ų198120.8 Ų120.886%0.86173%0.728SS**  cis-153.9126.6-1.9-64.4178.9-178.7177.80110I396I396-K398 HydrophobicContact CG2-CG 4.45Å
399R39.5Very low46Very low254 Ų254122 Ų12296%0.95874%0.74SS**SBendtrans164126152.5176.9-174.5-71.3-160.8-0.5106.5
400G53.3Low45.9Very low55 Ų55125 Ų12557%0.56776%0.756SS**  cis-152.4174.7-13.700000108
401P50.2Low45.9Very low138 Ų138130.2 Ų130.290%0.89678%0.783SS**PPolyproline II helixtrans-62.7147.3-17625.1-33.4000113.2
402V47.7Very low45.4Very low126 Ų126130.4 Ų130.476%0.76478%0.784SS**PPolyproline II helixtrans-79.8136.5-170.2170.80000112
403G46.5Very low45.1Very low72 Ų72131.7 Ų131.774%0.74279%0.786SS**PPolyproline II helixtrans-74.8118.6158.900000109.6
404L46.7Very low45Very low155 Ų155132.5 Ų132.581%0.81279%0.791SS**PPolyproline II helixtrans-59.5150.1-177.9-72.1164.1000111.9G406L404-G406 PolarHBondContact O-N 2.79Å
405P50.4Low44.4Very low114 Ų114133.3 Ų133.374%0.7480%0.799SS**PPolyproline II helixtrans-54.2127.1159.7-19.331.7000108.7
406G50.4Low44.1Very low69 Ų69128.9 Ų128.971%0.71180%0.798SS**PPolyproline II helixtrans-58.3137.6178.400000110.6L404L404-G406 PolarHBondContact O-N 2.79Å
407P50.6Low44.5Very low124 Ų124125.8 Ų125.881%0.80579%0.788SS**PPolyproline II helixtrans-60.6158.3173.227.9-34.8000110.3G409P407-G409 PolarHBondContact O-N 2.66Å
408L40.9Very low44.2Very low174 Ų174125.7 Ų125.791%0.91179%0.787SS**  trans-58.7112.2174.9-172.574.4000109.1E410L408-E410 PolarHBondContact O-N 3.27Å
409G47.3Very low44.4Very low67 Ų67123 Ų12369%0.69177%0.772SS**  trans-60.1130.1-17800000111.5P407P407-G409 PolarHBondContact O-N 2.66Å
410E39.4Very low44.5Very low190 Ų190114.9 Ų114.989%0.88876%0.755SS**  trans-65.9150.5-177.4-60.1179.212700111.9L408 G412L408-E410 PolarHBondContact O-N 3.27Å; E410-G412 VanDerWaalsContact C-N 3.33Å; E410-G412 PolarHBondContact O-N 3.16Å
411I46.5Very low43.8Very low174 Ų174120.6 Ų120.689%0.89277%0.766SS**  trans-76.289172.7-61.4179.4000108.7Q413I411-Q413 PolarHBondContact O-N 3.4Å
412G40.5Very low43.2Very low70 Ų70123.4 Ų123.472%0.72277%0.765SS**  trans-73.4112.6175.300000112.7E410E410-G412 VanDerWaalsContact C-N 3.33Å; E410-G412 PolarHBondContact O-N 3.16Å
413Q39Very low42.8Very low184 Ų184120.9 Ų120.986%0.8676%0.764SS**  trans-24.1135.2175.9-61.3172.1-4.200118.1I411I411-Q413 PolarHBondContact O-N 3.4Å
414P49.7Very low42.5Very low138 Ų138127 Ų12790%0.89677%0.773SS**  trans-86.6142.7171.934.5-33.9000113.7
415G31Very low42.2Very low79 Ų79131.5 Ų131.581%0.81478%0.779SS**  trans169146.1169.200000111.2
416S36.7Very low41.9Very low113 Ų113129.2 Ų129.279%0.7978%0.777SS**  cis-149.7155.50.7560000110.9
417P48.4Very low41.6Very low78 Ų78131.7 Ų131.751%0.50678%0.783SS.*  trans-90.9149.4-176.134.2-33.1000114.1I547P417-I547 HydrophobicContact CG-CD1 4.24Å
418G37.1Very low41.1Very low67 Ų67133.7 Ų133.769%0.69179%0.787SS**  trans-146.4154.5178.100000112.7
419Y40.1Very low41.4Very low141 Ų141128.6 Ų128.655%0.55378%0.777SS**  trans-149164.5-152.9158.6-97.7000114.1K548Y419-K548 HydrophobicContact CD1-CB 3.48Å; Y419-K548 VanDerWaalsContact CD1-CB 3.48Å; Y419-K548 HydrophobicContact CD1-CG 4.29Å; Y419-K548 HydrophobicContact CD2-CB 4.06Å; Y419-K548 HydrophobicContact CD2-CD 3.69Å; Y419-K548 HydrophobicContact CD2-CG 4.24Å; Y419-K548 HydrophobicContact CE1-CB 3.86Å; Y419-K548 HydrophobicContact CE1-CG 4.27Å; Y419-K548 HydrophobicContact CE2-CB 4.38Å; Y419-K548 HydrophobicContact CE2-CD 3.78Å; Y419-K548 HydrophobicContact CE2-CG 4.21Å; Y419-K548 HydrophobicContact CG-CB 3.58Å; Y419-K548 HydrophobicContact CG-CD 4.11Å; Y419-K548 HydrophobicContact CG-CG 4.27Å
420S41.7Very low41.4Very low85 Ų85133.7 Ų133.759%0.59479%0.787SS**  -179.1134.2-87.555.30000110.3
421E40.2Very low42Very low174 Ų174130.6 Ų130.681%0.81378%0.783SS**  trans-122.8121.4-166-80.7-156.1151.600117.7
422K37.1Very low42.2Very low198 Ų198125.9 Ų125.986%0.86178%0.778SS**  73.2111.3124.2-157.9177.4-174.2-179.40122.8
423G39.6Very low42.5Very low72 Ų72131 Ų13174%0.74279%0.788SS**  trans99.7136.5149.300000115.9
424E39.3Very low42.7Very low202 Ų202134.1 Ų134.194%0.94479%0.791SS**  cis-138.3-168.4-9.2-76.1-151129.600110.9
425R39.6Very low42.8Very low248 Ų248130.6 Ų130.694%0.93678%0.781SS**  trans-83.9123.6-165.8-178.3-173.1-64.6163.41114.2
426G45Very low43.7Very low67 Ų67136 Ų13669%0.69179%0.785SS**  trans-117.3157.7160.100000111.4
427S43.4Very low44.3Very low120 Ų120135.8 Ų135.884%0.83979%0.789SS**PPolyproline II helixtrans-74.9141.9-175.852.90000113.7G429S427-G429 PolarHBondContact O-N 2.78Å
428D41.7Very low44.9Very low166 Ų166134.9 Ų134.989%0.88880%0.795SS**PPolyproline II helixtrans-56.2125.7172.2-64.1-52.9000111.6
429G46.2Very low45.9Very low68 Ų68137.4 Ų137.470%0.70180%0.799SS**PPolyproline II helixtrans-70.6145.8171.100000111.2S427 P431S427-G429 PolarHBondContact O-N 2.78Å; G429-P431 WeakPolarHBondContact O-CD 3.4Å
430L46.5Very low46.7Very low174 Ų174136.8 Ų136.891%0.91181%0.812SS**PPolyproline II helixtrans-52.9126.4175.1-73.7166.6000110.6G432L430-G432 PolarHBondContact O-N 2.04Å
431P52.5Low47.6Very low124 Ų124136.2 Ų136.281%0.80582%0.82SS**PPolyproline II helixtrans-54.5129.2168.8-25.835.2000110G429G429-P431 WeakPolarHBondContact O-CD 3.4Å
432G50.3Low48.3Very low75 Ų75136.1 Ų136.177%0.77382%0.824SS**PPolyproline II helixtrans-56143.4-173.600000112.7L430 R434L430-G432 PolarHBondContact O-N 2.04Å; G432-R434 PolarHBondContact O-N 2.99Å
433L47.1Very low48.9Very low178 Ų178132.7 Ų132.793%0.93282%0.822SS**PPolyproline II helixtrans-52.2116.6178.1-73.9168.6000110.3G435L433-G435 PolarHBondContact O-N 3.26Å; L433-G435 VanDerWaalsContact O-N 3.14Å
434R42.7Very low49.2Very low249 Ų249132.8 Ų132.894%0.9482%0.822SS**PPolyproline II helixtrans-62116.8169.7-176.9175.3-178.3164.41.4107.5G432G432-R434 PolarHBondContact O-N 2.99Å
435G53.1Low49.6Very low65 Ų65131.7 Ų131.767%0.6782%0.821SS**PPolyproline II helixtrans-55.3153.5-168.500000114.6L433L433-G435 PolarHBondContact O-N 3.26Å; L433-G435 VanDerWaalsContact O-N 3.14Å
436E50.1Low50.1Low193 Ų193128.9 Ų128.990%0.90282%0.819SS**PPolyproline II helixtrans-56.1145.2179.3-58.8-176136.200111.8G438E436-G438 PolarHBondContact O-N 2.88Å; E436-G438 VanDerWaalsContact O-N 3.13Å
437A48Very low50.5Low107 Ų107129 Ų12988%0.88482%0.82SS**  trans-68.4110.116600000108.1
438G60.8Low51Low60 Ų60131.6 Ų131.662%0.61982%0.822SS**PPolyproline II helixtrans-59.3156.3-174.400000113.7E436E436-G438 PolarHBondContact O-N 2.88Å; E436-G438 VanDerWaalsContact O-N 3.13Å
439P58.1Low51.3Low120 Ų120128 Ų12878%0.77982%0.816SS**PPolyproline II helixtrans-60.3146.7178.226.6-34.9000111.1G441P439-G441 PolarHBondContact O-N 2.82Å
440P58.8Low51.4Low128 Ų128128.4 Ų128.483%0.83182%0.82SS**PPolyproline II helixtrans-51.9131.8171.3-26.735.4000111.3
441G59.9Low51.3Low73 Ų73129.4 Ų129.475%0.75382%0.82SS**PPolyproline II helixtrans-61.6138.5-165.300000114.8P439P439-G441 PolarHBondContact O-N 2.82Å
442L53.8Low51.1Low171 Ų171129.6 Ų129.690%0.89582%0.821SS**PPolyproline II helixtrans-64.7134.6167.6-72.2167.9000110.2G444L442-G444 PolarHBondContact O-N 2.88Å
443P51.1Low50.5Low127 Ų127129.4 Ų129.483%0.82582%0.819SS**SBendtrans-66.8122.3176.6-21.933.7000112.8
444G44.8Very low50Low73 Ų73130.3 Ų130.375%0.75382%0.819SS**  trans71100.515700000117.2L442L442-G444 PolarHBondContact O-N 2.88Å
445I48Very low49.6Very low179 Ų179128.3 Ų128.392%0.91882%0.817SS**PPolyproline II helixtrans-69.8131.3155.717.1173.9000109.6
446Q49.4Very low48.9Very low189 Ų189128.7 Ų128.788%0.88382%0.82SS**PPolyproline II helixtrans-66.5157.3173-171.4170.7-5.800111
447G54.6Low48.4Very low69 Ų69129 Ų12971%0.71182%0.822SS**PPolyproline II helixtrans-58.8157.9-172.800000115.8
448I53Low47.8Very low175 Ų175129.5 Ų129.590%0.89781%0.814SS**PPolyproline II helixtrans-60.4143.3-176.3-34.5177.5000111.3
449A48.2Very low47Very low90 Ų90133.4 Ų133.474%0.74483%0.826SS**PPolyproline II helixtrans-65.6146.2174.700000112.5
450G48.9Very low46.2Very low77 Ų77138.3 Ų138.379%0.79483%0.83SS**PPolyproline II helixtrans-81.4141.4168.100000111.7
451E44.7Very low45.5Very low196 Ų196135.4 Ų135.492%0.91682%0.823SS**PPolyproline II helixtrans-77.7152.9-177.6-65.6-171.4118.100113.4
452P48Very low44.7Very low127 Ų127137.9 Ų137.983%0.82583%0.826SS**  trans-113.7150.6-167.139.2-29.4000115.8
453G38.3Very low44.4Very low71 Ų71136.1 Ų136.173%0.73283%0.825SS**  trans154.9148.6162.200000114.3
454Q35.5Very low44Very low198 Ų198133.9 Ų133.993%0.92583%0.825SS**  cis-144.9-177.9-4.2-67-164.5500111.7
455K34.9Very low43.7Very low207 Ų207141.1 Ų141.190%0.983%0.83SS**  trans-66.3160.7178.6-53.6159.6-174.2172.80111.3
456G37.2Very low43Very low72 Ų72140 Ų14074%0.74282%0.82SS**  cis136.31491.800000111.2
457E40.1Very low42.7Very low199 Ų199134.2 Ų134.293%0.9381%0.811SS**  trans-151.8174.3179.2-129.9163.5-140.400113.4
458T35.6Very low42.1Very low118 Ų118138.2 Ų138.272%0.72482%0.817SS**  trans-130.5148.6-146.2570000117.5
459V44.6Very low41.9Very low143 Ų143136.2 Ų136.287%0.86782%0.815SS**  trans-143.9146162.2177.90000110.7
460Y41.3Very low41.7Very low223 Ų223135.2 Ų135.288%0.87581%0.813SS**  trans-109.5164.4174.1-72.5-98.6000110.6
461G44.1Very low41.4Very low66 Ų66138.4 Ų138.468%0.6882%0.817SS**  cis-174.3-143.85.500000107.6
462P41.7Very low41.4Very low126 Ų126137.1 Ų137.182%0.81882%0.816SS**  cis-117.8173.5-9.841.3-28.9000113.3
463P47.7Very low41.1Very low133 Ų133134.4 Ų134.486%0.86481%0.812SS**  trans-96.9155.8-178.936.9-34.4000115
464G43.3Very low41.2Very low80 Ų80138.8 Ų138.883%0.82582%0.817SS**  trans-161.5130.216900000113
465R38.4Very low42.2Very low226 Ų226134.9 Ų134.985%0.85381%0.808SS**  trans-94.9173.5170.4-71.2168153.2-143.611108.8
466E33.7Very low42.8Very low155 Ų155128.2 Ų128.272%0.72480%0.798SS**  cis-159167.315.8-149.5150.3-116.900110.7
467G43Very low43.2Very low67 Ų67135.9 Ų135.969%0.69181%0.805SS**  trans140.5112.4161.700000116.2
468N40.7Very low43.8Very low154 Ų154131.8 Ų131.882%0.82480%0.796SS**  trans-119.9-167.4173.8-33.5-76.6000108.9
469P50.4Low44.6Very low132 Ų132129.5 Ų129.586%0.85780%0.796SS**  cis-134-176.1-17.937.2-18.8000114.1
470G43.2Very low44.5Very low69 Ų69130.3 Ų130.371%0.71180%0.795SS**  trans128.8133.6158.400000114.2
471V42.6Very low44.8Very low145 Ų145130.9 Ų130.988%0.87980%0.796SS**  cis-139.7147.12.4177.40000109.4
472D45Very low45Very low168 Ų168130.8 Ų130.890%0.89880%0.795SS**  trans-81.7155.2-170.5-55.9-64000116
473G41.8Very low44.9Very low71 Ų71132.4 Ų132.473%0.73280%0.797SS**  trans152.9131.7166.700000111.6
474I39.7Very low45.3Very low162 Ų162131.7 Ų131.783%0.83179%0.792SS**  cis-122.31449.4-61.5172.7000108.8G476I474-G476 PolarHBondContact O-N 2.83Å
475P56.4Low45.5Very low116 Ų116131.3 Ų131.375%0.75379%0.788SS**PPolyproline II helixtrans-57.2131.8175-24.934.6000113
476G48.7Very low45.7Very low67 Ų67128.6 Ų128.669%0.69179%0.79SS**PPolyproline II helixtrans-60.8143159.400000109.6I474 P478I474-G476 PolarHBondContact O-N 2.83Å; G476-P478 WeakPolarHBondContact O-CD 3.49Å
477R46Very low46.8Very low233 Ų233126.7 Ų126.788%0.87979%0.791SS**PPolyproline II helixtrans-53.2127.7177.7-85.7-171.5173.5-165.9-1.8109.9G479R477-G479 PolarHBondContact O-N 2.86Å
478P52.9Low46.7Very low113 Ų113127.4 Ų127.473%0.73480%0.798SS**PPolyproline II helixtrans-53.5138.5160.2-22.433.9000109.2G476G476-P478 WeakPolarHBondContact O-CD 3.49Å
479G51Low46.8Very low71 Ų71128.3 Ų128.373%0.73280%0.802SS**PPolyproline II helixtrans-64.8138.4169.200000109.8R477 R481R477-G479 PolarHBondContact O-N 2.86Å; G479-R481 PolarHBondContact O-N 3.41Å
480D42.7Very low46.2Very low159 Ų159131.8 Ų131.885%0.8580%0.803SS**  trans-63.3100.2-175-63.1-56.7000110.8G482D480-G482 PolarHBondContact O-N 2.65Å
481R47.1Very low45.8Very low235 Ų235132 Ų13289%0.88781%0.805SS**  trans-71111.1171.9179.9-178.1-175.1171.92.4107.4G479G479-R481 PolarHBondContact O-N 3.41Å
482G49.6Very low45.9Very low65 Ų65131.2 Ų131.267%0.6780%0.801SS**PPolyproline II helixtrans-47.4136.6-171.800000114.2D480 P484D480-G482 PolarHBondContact O-N 2.65Å; G482-P484 WeakPolarHBondContact O-CD 3.29Å
483D38.9Very low45.8Very low159 Ų159129.6 Ų129.685%0.8580%0.8SS**PPolyproline II helixtrans-55.3124.2-174-69.1-61.6000112.2G485D483-G485 PolarHBondContact O-N 2.67Å
484P55.5Low45.6Very low118 Ų118130 Ų13077%0.76680%0.804SS**PPolyproline II helixtrans-60.3125.3165.3-20.733.2000109.4G482 L486G482-P484 WeakPolarHBondContact O-CD 3.29Å; P484-L486 PolarHBondContact O-N 3.06Å
485G47.6Very low45.7Very low72 Ų72127.5 Ų127.574%0.74281%0.808SS**PPolyproline II helixtrans-54.2129.7-174.500000112.9D483 P487D483-G485 PolarHBondContact O-N 2.67Å; G485-P487 WeakPolarHBondContact O-CD 3.35Å
486L43.6Very low44.6Very low169 Ų169125.6 Ų125.689%0.88581%0.809SS**PPolyproline II helixtrans-58.6124.5-178.8-72.9171000111.1P484 G488P484-L486 PolarHBondContact O-N 3.06Å; L486-G488 PolarHBondContact O-N 3.31Å
487P55.9Low44.4Very low115 Ų115131.4 Ų131.475%0.74782%0.818SS**PPolyproline II helixtrans-59.1136.8172.7-24.735000111.5G485 I489G485-P487 WeakPolarHBondContact O-CD 3.35Å; P487-I489 PolarHBondContact O-N 3.15Å
488G40.8Very low44.1Very low82 Ų82125.8 Ų125.885%0.84581%0.812SS**PPolyproline II helixtrans-60.3118.9-174.500000113.1L486 K490L486-G488 PolarHBondContact O-N 3.31Å; G488-K490 PolarHBondContact O-N 3.4Å
489I43.5Very low43.4Very low174 Ų174128.8 Ų128.889%0.89282%0.821SS**PPolyproline II helixtrans-72.9123.3176.144.5172.8000111.4P487P487-I489 PolarHBondContact O-N 3.15Å
490K38.3Very low43.3Very low204 Ų204131.9 Ų131.989%0.88783%0.825SS**PPolyproline II helixtrans-67.9131.9-179.1-173.1176.2-179177.80110.7G488G488-K490 PolarHBondContact O-N 3.4Å
491G35.2Very low43.6Very low74 Ų74126.6 Ų126.676%0.76381%0.808SS**PPolyproline II helixtrans-64.6149.2-176.300000114.3
492T43.5Very low43.5Very low129 Ų129121.2 Ų121.279%0.79180%0.804SS**  trans-111.1135.1174.544.90000110.7
493P42.4Very low43.9Very low134 Ų134124 Ų12487%0.8781%0.811SS**  trans-72.9147.5175.131.1-34.3000110.8
494G39.1Very low44.3Very low80 Ų80119.9 Ų119.983%0.82581%0.805SS**  trans-113.5159-160.600000117.3
495A40.3Very low43.6Very low109 Ų109122.8 Ų122.890%0.90181%0.808SS**  trans-155.2145.7155.200000107.7
496G34.8Very low43.6Very low75 Ų75128 Ų12877%0.77381%0.814SS**  cis165.174.1-5.400000113.3
497Q43.7Very low43.7Very low190 Ų190123.4 Ų123.489%0.88881%0.807SS**  trans-151.2141.9166.2-105.9177.111.800110.9
498P40.5Very low43.1Very low115 Ų115125.6 Ų125.675%0.74781%0.805SS**  trans-90.1115.9-172.233.3-32.9000113.2
499L37.6Very low43.7Very low176 Ų176126.3 Ų126.392%0.92180%0.803SS**  trans-111.489.4164.3-82.6163.9000109.3G501L499-G501 PolarHBondContact O-N 3.15Å; L499-G501 VanDerWaalsContact O-N 3.09Å
500T47.7Very low44.2Very low135 Ų135120.8 Ų120.883%0.82879%0.789SS**  trans-69.8102.6174.1-54.80000109.4
501G50Low45.1Very low48 Ų48116.3 Ų116.350%0.49578%0.781SS.*PPolyproline II helixtrans-59.5157.4164.500000111L499L499-G501 PolarHBondContact O-N 3.15Å; L499-G501 VanDerWaalsContact O-N 3.09Å
502P44.3Very low46.3Very low123 Ų123118.8 Ų118.880%0.79978%0.783SS**PPolyproline II helixtrans-55.9142.117625.7-34.4000110G504P502-G504 PolarHBondContact O-N 3.43Å
503P58.3Low46.8Very low124 Ų124116 Ų11681%0.80578%0.78SS**PPolyproline II helixtrans-50.5135.3175.2-27.335000110.9Q505P503-Q505 PolarHBondContact O-N 2.84Å
504G47.3Very low47.2Very low71 Ų71117.6 Ų117.673%0.73278%0.782SS**PPolyproline II helixtrans-54.1135.3174.700000109.8P502 E506P502-G504 PolarHBondContact O-N 3.43Å; G504-E506 PolarHBondContact O-N 3Å
505Q41.6Very low47.5Very low180 Ų180118.6 Ų118.684%0.84178%0.782SS**  trans-56.3114.3-179.8-177171.358.100109.1P503 G507P503-Q505 PolarHBondContact O-N 2.84Å; Q505-G507 PolarHBondContact O-N 2.72Å
506E47.4Very low48Very low182 Ų182116.6 Ų116.685%0.8577%0.772SS**PPolyproline II helixtrans-55.7117.7178.3-74.1-169.4140.800108.8G504 F508G504-E506 PolarHBondContact O-N 3Å; E506-F508 PolarHBondContact O-N 2.69Å
507G46.1Very low48.7Very low72 Ų72124.9 Ų124.974%0.74278%0.78SS**PPolyproline II helixtrans-60.2123.1178.300000108.9Q505 A509Q505-G507 PolarHBondContact O-N 2.72Å; G507-A509 PolarHBondContact O-N 3.29Å
508F43.7Very low48.7Very low160 Ų160123.5 Ų123.570%0.70278%0.777SS**PPolyproline II helixtrans-51.2120.3177.8-69.6-77.4000109.6E506 G510E506-F508 PolarHBondContact O-N 2.69Å; F508-G510 PolarHBondContact O-N 2.78Å; F508-G510 VanDerWaalsContact O-N 3.11Å
509A52.9Low49.2Very low97 Ų97120.9 Ų120.980%0.80277%0.771SS**PPolyproline II helixtrans-51.8123.3163.800000107.5G507G507-A509 PolarHBondContact O-N 3.29Å
510G53Low49.6Very low58 Ų58120.9 Ų120.960%0.59877%0.77SS**PPolyproline II helixtrans-54.7147.2-179.700000110.1F508F508-G510 PolarHBondContact O-N 2.78Å; F508-G510 VanDerWaalsContact O-N 3.11Å
511P57.3Low50.1Low111 Ų111119.4 Ų119.472%0.72176%0.763SS**PPolyproline II helixtrans-53131.1173.524.4-33.3000108.2G513P511-G513 PolarHBondContact O-N 2.82Å; P511-G513 VanDerWaalsContact O-N 3.09Å
512P61Low50.3Low126 Ų126120.6 Ų120.682%0.81878%0.775SS**PPolyproline II helixtrans-51.1123.7173.2-26.234.6000108.4D514P512-D514 PolarHBondContact O-N 3.09Å
513G53.2Low50.5Low71 Ų71120 Ų12073%0.73277%0.77SS**PPolyproline II helixtrans-55.3138.8-176.400000110.2P511 A515P511-G513 PolarHBondContact O-N 2.82Å; P511-G513 VanDerWaalsContact O-N 3.09Å; G513-A515 PolarHBondContact O-N 2.9Å; G513-A515 VanDerWaalsContact O-N 3.12Å
514D51.1Low50.7Low167 Ų167119.8 Ų119.889%0.89377%0.768SS**PPolyproline II helixtrans-47.6122.7-179.3-75.9-51.6000109.8P512 G516P512-D514 PolarHBondContact O-N 3.09Å; D514-G516 PolarHBondContact O-N 3.14Å
515A46.5Very low51.3Low100 Ų100119.9 Ų119.983%0.82677%0.769SS**  trans-56.4115.2-175.300000109.2G513 R517G513-A515 PolarHBondContact O-N 2.9Å; G513-A515 VanDerWaalsContact O-N 3.12Å; A515-R517 PolarHBondContact O-N 3.4Å
516G51Low51.6Low67 Ų67115.8 Ų115.869%0.69177%0.766SS**PPolyproline II helixtrans-51.5133.6-176.100000110.4D514 I518D514-G516 PolarHBondContact O-N 3.14Å; G516-I518 PolarHBondContact O-N 3.17Å
517R48.2Very low52.1Low250 Ų250113.3 Ų113.394%0.94377%0.766SS**PPolyproline II helixtrans-47117.9-178.8-91.1-172.8167.6-142.8-1.4109.5A515 G519A515-R517 PolarHBondContact O-N 3.4Å; R517-G519 PolarHBondContact O-N 3.41Å; R517-G519 VanDerWaalsContact O-N 3.09Å
518I44.5Very low52.5Low161 Ų161113 Ų11383%0.82676%0.762SS**PPolyproline II helixtrans-52.6119.3177.9-63.6171.3000108.1G516 L520G516-I518 PolarHBondContact O-N 3.17Å; I518-L520 PolarHBondContact O-N 3.12Å
519G51.7Low52.6Low60 Ų60111.6 Ų111.662%0.61977%0.769SS**PPolyproline II helixtrans-59.4133.7174.200000109.7R517 P521R517-G519 PolarHBondContact O-N 3.41Å; R517-G519 VanDerWaalsContact O-N 3.09Å; G519-P521 WeakPolarHBondContact O-CD 3.28Å
520L46.1Very low52.1Low175 Ų175117.1 Ų117.192%0.91678%0.775SS**PPolyproline II helixtrans-55.7121.4175.7-76.3158.8000109.1I518 G522I518-L520 PolarHBondContact O-N 3.12Å; L520-G522 PolarHBondContact O-N 2.84Å
521P58Low51.8Low105 Ų105117.7 Ų117.768%0.68278%0.781SS**PPolyproline II helixtrans-58.8131.5176.3-24.835.1000110.5G519G519-P521 WeakPolarHBondContact O-CD 3.28Å
522G52.4Low50.8Low72 Ų72122.2 Ų122.274%0.74279%0.792SS**PPolyproline II helixtrans-61.3140.6178.700000111.8L520L520-G522 PolarHBondContact O-N 2.84Å
523T49.7Very low49.9Very low112 Ų112128 Ų12869%0.68780%0.798SS**PPolyproline II helixtrans-62.8131.1172.346.60000110.2G525T523-G525 PolarHBondContact O-N 3.47Å
524P62.7Low49.2Very low119 Ų119127.9 Ų127.977%0.77380%0.796SS**PPolyproline II helixtrans-55.6137.8175-2635.2000112.2
525G58.7Low48.6Very low72 Ų72128.7 Ų128.774%0.74280%0.795SS**PPolyproline II helixtrans-67.3148.5175.800000112.1T523T523-G525 PolarHBondContact O-N 3.47Å
526A49.6Very low48.6Very low94 Ų94131.1 Ų131.178%0.77779%0.794SS**PPolyproline II helixtrans-62.6145.8175.600000111.3G528A526-G528 PolarHBondContact O-N 3.03Å
527P57.2Low48Very low131 Ų131134.1 Ų134.185%0.85180%0.802SS**PPolyproline II helixtrans-57.2129.8178.8-25.435.1000112.5
528G53.5Low47.8Very low64 Ų64125.2 Ų125.266%0.6679%0.789SS**PPolyproline II helixtrans-70.4155.1-175.600000114A526A526-G528 PolarHBondContact O-N 3.03Å
529P45.9Very low47.9Very low132 Ų132127.5 Ų127.586%0.85779%0.793SS**PPolyproline II helixtrans-63.9138.5173.828.2-34.4000110.9G531P529-G531 PolarHBondContact O-N 2.72Å
530K42.8Very low47.2Very low213 Ų213130.5 Ų130.593%0.92680%0.803SS**  trans-74.4112174.9-172.8178.7180-177.60108.7
531G46.9Very low47.3Very low69 Ų69128.1 Ų128.171%0.71180%0.798SS**  trans-71.1166.1-169.600000115.9P529P529-G531 PolarHBondContact O-N 2.72Å
532E36.9Very low46.2Very low207 Ų207130.9 Ų130.997%0.96781%0.807SS**  trans-80.9168.4172.4-62.4-171.1137.500112
533R41.6Very low45.8Very low248 Ų248130.8 Ų130.894%0.93681%0.806SS**  trans-144.3128.7-169.1173.9-160.6-71.3-178.9-6.6110.7
534G38.6Very low45.2Very low67 Ų67133.7 Ų133.769%0.69182%0.816SS**  trans161.7145.4168.900000109.9
535E38.3Very low44.5Very low185 Ų185133.4 Ų133.486%0.86482%0.815SS**  cis-145.2150.1-3.1-62.3-176.7136.900110.1
536D45.8Very low43.9Very low151 Ų151133.8 Ų133.881%0.80782%0.818SS**  trans41.6117.3141.7-65.711.9000121.1
537C39.4Very low43.9Very low129 Ų129134.9 Ų134.987%0.87281%0.81SS**  81126.981.2-171.30000114.2
538G43.3Very low43.2Very low64 Ų64134.5 Ų134.566%0.6680%0.795SS**  cis165.9-170-2.600000113.8
539K46.8Very low43Very low209 Ų209134.3 Ų134.391%0.90979%0.792SS**  trans84.3147.5177.6-58.2-177.5179177.70118.1
540C37.1Very low43Very low123 Ų123136 Ų13683%0.83179%0.789SS**  trans-104.1174.8-169.9-42.70000111.6
541P47.8Very low43.2Very low124 Ų124137.1 Ų137.181%0.80579%0.787SS**  -142-172.972.538.7-20.1000115.4
542D34.9Very low43.4Very low164 Ų164136.7 Ų136.788%0.87778%0.783SS**  trans-72.6153.6-170.7-46.1-92.5000115.6
543G44.7Very low43.7Very low70 Ų70134.3 Ų134.372%0.72278%0.777SS**  trans177.135.9178.300000122.5
544L37.8Very low43.8Very low173 Ų173128.3 Ų128.391%0.90677%0.772SS**  trans64.2165.9167-56.5170.4000117.8
545P47.7Very low44.1Very low113 Ų113127.7 Ų127.773%0.73477%0.766SS**  cis-118.2136.3-3732.7-19000111.5I547P545-I547 PolarHBondContact O-N 3.08Å
546G46.3Very low44.5Very low80 Ų80126.8 Ų126.883%0.82577%0.767SS**  trans-68.1125172.200000111.4K548G546-K548 PolarHBondContact O-N 3.29Å
547I49.5Very low44.5Very low116 Ų116125.5 Ų125.560%0.59577%0.766SS**  trans-55.4136171.149.2171.4000110.2P417 P545 G549P417-I547 HydrophobicContact CG-CD1 4.24Å; P545-I547 PolarHBondContact O-N 3.08Å; I547-G549 PolarHBondContact O-N 3.15Å
548K41.2Very low44.7Very low124 Ų124122.5 Ų122.554%0.53976%0.757SS.*  trans-58.4112.5178.4-179.7-124.7-150.61610108.9Y419 G546 E550Y419-K548 HydrophobicContact CD1-CB 3.48Å; Y419-K548 VanDerWaalsContact CD1-CB 3.48Å; Y419-K548 HydrophobicContact CD1-CG 4.29Å; Y419-K548 HydrophobicContact CD2-CB 4.06Å; Y419-K548 HydrophobicContact CD2-CD 3.69Å; Y419-K548 HydrophobicContact CD2-CG 4.24Å; Y419-K548 HydrophobicContact CE1-CB 3.86Å; Y419-K548 HydrophobicContact CE1-CG 4.27Å; Y419-K548 HydrophobicContact CE2-CB 4.38Å; Y419-K548 HydrophobicContact CE2-CD 3.78Å; Y419-K548 HydrophobicContact CE2-CG 4.21Å; Y419-K548 HydrophobicContact CG-CB 3.58Å; Y419-K548 HydrophobicContact CG-CD 4.11Å; Y419-K548 HydrophobicContact CG-CG 4.27Å; G546-K548 PolarHBondContact O-N 3.29Å; K548-E550 PolarHBondContact O-N 3.21Å
549G50.9Low45Very low59 Ų59130.1 Ų130.161%0.60877%0.767SS**  trans-51.5137.6171.600000109.7I547I547-G549 PolarHBondContact O-N 3.15Å
550E44.8Very low45.4Very low167 Ų167126 Ų12678%0.7876%0.762SS**  trans-55.4152.9165.5-63.2-167.9125.700108.6K548 G552K548-E550 PolarHBondContact O-N 3.21Å; E550-G552 VanDerWaalsContact C-N 3.32Å; E550-G552 PolarHBondContact O-N 2.66Å
551R47.4Very low45.9Very low238 Ų238123.1 Ų123.190%0.89875%0.754SS**  trans-59.2104.8170.9174-171.3-68.5162.9-0.9105.8D553R551-D553 PolarHBondContact O-N 3.13Å
552G51.2Low46Very low59 Ų59124.1 Ų124.161%0.60876%0.757SS**  trans-49.6141.4178.500000109.2E550 S554E550-G552 VanDerWaalsContact C-N 3.32Å; E550-G552 PolarHBondContact O-N 2.66Å; G552-S554 PolarHBondContact O-N 2.94Å
553D42.3Very low46.6Very low158 Ų158123.4 Ų123.485%0.84575%0.749SS**  trans-39.9131.8-175.2-69.1-64.2000110.3R551 G555R551-D553 PolarHBondContact O-N 3.13Å; D553-G555 PolarHBondContact O-N 3.18Å
554S43.7Very low47.2Very low121 Ų121122.2 Ų122.285%0.84674%0.736SS**  trans-64.188.5169.354.40000106.8G552 L556G552-S554 PolarHBondContact O-N 2.94Å; S554-L556 PolarHBondContact O-N 3.09Å
555G46.1Very low48Very low54 Ų54120.2 Ų120.256%0.55773%0.733SS**  trans-53.5131.5-166.600000109.2D553 P557D553-G555 PolarHBondContact O-N 3.18Å; G555-P557 WeakPolarHBondContact O-CD 3.47Å
556L45.3Very low47.9Very low167 Ų167122.3 Ų122.387%0.87473%0.734SS**  trans-39.3116.8162.8-84.4157.4000107S554 G558S554-L556 PolarHBondContact O-N 3.09Å; L556-G558 PolarHBondContact O-N 2.83Å
557P46.2Very low48Very low123 Ų123121.8 Ų121.880%0.79973%0.728SS**  trans-50.3112.2-175.3-30.936000108.3G555 Y559G555-P557 WeakPolarHBondContact O-CD 3.47Å; P557-Y559 PolarHBondContact O-N 2.8Å; P557-Y559 VanDerWaalsContact O-N 3.15Å
558G44.6Very low48.1Very low66 Ų66123.2 Ų123.268%0.6874%0.742SS**  trans-53.6127.5-169.100000108L556 P560L556-G558 PolarHBondContact O-N 2.83Å; G558-P560 WeakPolarHBondContact O-CD 3.41Å
559Y48.7Very low48.4Very low224 Ų224125.6 Ų125.688%0.87876%0.757SS**  trans-42.6119.1179.1-77.3-83.4000107.8P557 G561P557-Y559 PolarHBondContact O-N 2.8Å; P557-Y559 VanDerWaalsContact O-N 3.15Å; Y559-G561 PolarHBondContact O-N 3.31Å
560P55.3Low48.4Very low122 Ų122125.6 Ų125.679%0.79276%0.757SS**  trans-49.6117.1178.6-29.735.9000107.4G558 V562G558-P560 WeakPolarHBondContact O-CD 3.41Å; P560-V562 PolarHBondContact O-N 2.83Å
561G48.2Very low48.4Very low64 Ų64125.9 Ų125.966%0.6676%0.763SS**  trans-52.2137.8-174.300000108.1Y559 Q563Y559-G561 PolarHBondContact O-N 3.31Å; G561-Q563 PolarHBondContact O-N 3.25Å
562V49.7Very low48.8Very low145 Ų145120.2 Ų120.288%0.87976%0.757SS**  trans-52.9108.8179.8-179.40000106.7P560 G564P560-V562 PolarHBondContact O-N 2.83Å; V562-G564 PolarHBondContact O-N 2.93Å
563Q47.9Very low48.9Very low149 Ų149120.3 Ų120.370%0.69676%0.758SS**  trans-60.4110.1179-176.6175.9-1.900105.1G561 E566G561-Q563 PolarHBondContact O-N 3.25Å; Q563-E566 PolarHBondContact NE2-OE1 2.78Å
564G56.3Low48.9Very low45 Ų45119.5 Ų119.546%0.46476%0.761SS.*PPolyproline II helixtrans-54.3144.5177.300000108.3V562 E566V562-G564 PolarHBondContact O-N 2.93Å; G564-E566 PolarHBondContact O-N 2.93Å
565P54.2Low49Very low130 Ų130123.5 Ų123.584%0.84476%0.764SS**PPolyproline II helixtrans-52.2120.6175.324-33.4000107.7G567P565-G567 PolarHBondContact O-N 2.91Å; P565-G567 VanDerWaalsContact O-N 3.08Å
566E45.2Very low49.1Very low158 Ų158124 Ų12474%0.73877%0.769SS**PPolyproline II helixtrans-54.5122.8-172.9-70.7-170.9148.100108.8Q563 G564 V568Q563-E566 PolarHBondContact NE2-OE1 2.78Å; G564-E566 PolarHBondContact O-N 2.93Å; E566-V568 PolarHBondContact O-N 3.05Å
567G49.1Very low48.9Very low69 Ų69128 Ų12871%0.71177%0.772SS**PPolyproline II helixtrans-54.8127.2-171.300000109.8P565 M569P565-G567 PolarHBondContact O-N 2.91Å; P565-G567 VanDerWaalsContact O-N 3.08Å; G567-M569 PolarHBondContact O-N 2.89Å
568V51.3Low49.1Very low145 Ų145128 Ų12888%0.87977%0.772SS**  trans-56.2100.6-172.7-177.10000109.4E566 G570E566-V568 PolarHBondContact O-N 3.05Å; V568-G570 PolarHBondContact O-N 2.87Å
569M47Very low49.1Very low175 Ų175128.5 Ų128.586%0.86278%0.777SS**  trans-65109.4-175.2-175.6168.759.700108.4G567 L571G567-M569 PolarHBondContact O-N 2.89Å; M569-L571 PolarHBondContact O-N 2.98Å
570G51.4Low48.9Very low58 Ų58122.7 Ų122.760%0.59878%0.776SS**  trans-56.3131.2-169.700000112.1V568 P572V568-G570 PolarHBondContact O-N 2.87Å; G570-P572 WeakPolarHBondContact O-CD 3.24Å; G570-P572 VanDerWaalsContact O-N 3.12Å
571L44.4Very low48.4Very low173 Ų173123.2 Ų123.291%0.90678%0.779SS**  trans-52.1113.2-176.4-71.5168.4000111.6M569 G573M569-L571 PolarHBondContact O-N 2.98Å; L571-G573 PolarHBondContact O-N 3.38Å
572P57.6Low48.1Very low119 Ų119123.6 Ų123.677%0.77378%0.782SS**  trans-64.5133.6171.1-19.834.1000109.6G570G570-P572 WeakPolarHBondContact O-CD 3.24Å; G570-P572 VanDerWaalsContact O-N 3.12Å
573G51.4Low47.9Very low62 Ų62126.7 Ų126.764%0.63978%0.784SS**  trans-59.7149.7-173.700000113.7L571 K575L571-G573 PolarHBondContact O-N 3.38Å; G573-K575 PolarHBondContact O-N 3.12Å
574P42.4Very low47.5Very low140 Ų140129.4 Ų129.491%0.90980%0.797SS**  trans-69.395-173.728.7-35.6000111.9
575K46.7Very low47Very low206 Ų206131.1 Ų131.190%0.89682%0.815SS**PPolyproline II helixtrans-73.3132.4173.7-151.8169.5-174177.30109.9G573G573-K575 PolarHBondContact O-N 3.12Å
576G49.3Very low46.5Very low65 Ų65128.9 Ų128.967%0.6782%0.815SS**PPolyproline II helixtrans-63.1154.8-168.100000115.1P578G576-P578 WeakPolarHBondContact O-CD 3.48Å
577R40.2Very low46.6Very low251 Ų251126.2 Ų126.295%0.94782%0.82SS**PPolyproline II helixtrans-73.8123.7-175.8-64.4179.1177.7-179-1.2113.3
578P50.9Low46.7Very low123 Ų123126.5 Ų126.580%0.79982%0.823SS**PPolyproline II helixtrans-84.3166153.8-5.326.8000110.8G576G576-P578 WeakPolarHBondContact O-CD 3.48Å
579G44.2Very low46.3Very low75 Ų75128.6 Ų128.677%0.77383%0.825SS**PPolyproline II helixtrans-76.5156.6-17700000115
580A45.2Very low46.2Very low103 Ų103129.6 Ų129.685%0.85183%0.828SS**PPolyproline II helixtrans-80135.9174.800000111.5
581P43.5Very low46.3Very low133 Ų133129.3 Ų129.386%0.86483%0.825SS**  -139.1168.395.938.8-26.9000112.9
582G41.2Very low46.7Very low71 Ų71127.4 Ų127.473%0.73282%0.823SS**  cis175.3103.2-8.400000112.4
583K46.7Very low46.3Very low210 Ų210133.4 Ų133.491%0.91383%0.83SS**  trans50117.4174-72.2-171.5177.9-177.20118.9
584E38.9Very low46.2Very low207 Ų207133.2 Ų133.297%0.96783%0.828SS**  -149.2177.2117.7-136.7159.8-133.600110
585G47.2Very low46.3Very low81 Ų81131.7 Ų131.784%0.83582%0.821SS**  trans-134.4138.9-157.700000117.6
586G42.5Very low46.6Very low82 Ų82128 Ų12885%0.84582%0.818SS**  trans176.6151.3169.200000109.9
587A47.9Very low46.4Very low102 Ų102128 Ų12884%0.84382%0.818SS**  cis-136.4159.9-12.700000109
588G49.8Very low46.5Very low76 Ų76124 Ų12478%0.78481%0.814SS**PPolyproline II helixtrans-66.3138.5-177.500000112.8Q590G588-Q590 PolarHBondContact O-N 3.21Å
589M43.8Very low46.4Very low188 Ų188123.9 Ų123.993%0.92681%0.814SS**PPolyproline II helixtrans-56.6127.1171.8-71.4-179.569.400110.1G591M589-G591 PolarHBondContact O-N 3.49Å; M589-G591 VanDerWaalsContact O-N 3.17Å
590Q44.9Very low46.5Very low196 Ų196123.7 Ų123.792%0.91681%0.812SS**PPolyproline II helixtrans-60.5119.3173.1-17117385.300109G588G588-Q590 PolarHBondContact O-N 3.21Å
591G54.2Low46.4Very low52 Ų52128.8 Ų128.854%0.53682%0.815SS.*PPolyproline II helixtrans-62.4156.2178.800000111.6M589 R593M589-G591 PolarHBondContact O-N 3.49Å; M589-G591 VanDerWaalsContact O-N 3.17Å; G591-R593 PolarHBondContact O-N 2.95Å
592P51.7Low46.2Very low133 Ų133127.1 Ų127.186%0.86481%0.813SS**PPolyproline II helixtrans-55.1128.4176.524.7-33.8000109.4G594P592-G594 PolarHBondContact O-N 2.91Å
593R49.5Very low46.4Very low246 Ų246127.1 Ų127.193%0.92881%0.812SS**  trans-50.4114.1179.4-177.6179.2-175.1172.72.7108.7G591 S595G591-R593 PolarHBondContact O-N 2.95Å; R593-S595 PolarHBondContact O-N 2.74Å
594G50Low46Very low58 Ų58122 Ų12260%0.59881%0.809SS**PPolyproline II helixtrans-54.1140.7-179.500000110.6P592P592-G594 PolarHBondContact O-N 2.91Å
595S43.5Very low45.8Very low108 Ų108120 Ų12076%0.75580%0.797SS**PPolyproline II helixtrans-46.3132.5165.250.60000108.9R593 G597R593-S595 PolarHBondContact O-N 2.74Å; S595-G597 PolarHBondContact O-N 2.83Å; S595-G597 VanDerWaalsContact O-N 3.13Å
596P53.3Low45.4Very low128 Ų128119.7 Ų119.783%0.83179%0.794SS**PPolyproline II helixtrans-47.7126.8173.9-27.334.8000109.3L598P596-L598 PolarHBondContact O-N 2.9Å
597G46.1Very low45Very low65 Ų65122.3 Ų122.367%0.6779%0.785SS**PPolyproline II helixtrans-55.7138.9177.200000108.9S595 P599S595-G597 PolarHBondContact O-N 2.83Å; S595-G597 VanDerWaalsContact O-N 3.13Å; G597-P599 VanDerWaalsContact O-N 3.16Å
598L41.7Very low44.5Very low166 Ų166123.5 Ų123.587%0.86978%0.784SS**PPolyproline II helixtrans-46.5126.4163.3-79.4162000107.2P596 G600P596-L598 PolarHBondContact O-N 2.9Å; L598-G600 PolarHBondContact O-N 2.04Å
599P49.4Very low43.6Very low122 Ų122122.7 Ų122.779%0.79278%0.775SS**PPolyproline II helixtrans-50120172.8-27.235.2000107.8G597 F601G597-P599 VanDerWaalsContact O-N 3.16Å; P599-F601 PolarHBondContact O-N 2.8Å
600G46.3Very low43.2Very low71 Ų71120.2 Ų120.273%0.73277%0.766SS**PPolyproline II helixtrans-55.5131.9-177.300000108.5L598 A602L598-G600 PolarHBondContact O-N 2.04Å; G600-A602 PolarHBondContact O-N 2.85Å
601F41.5Very low42.6Very low209 Ų209120.6 Ų120.692%0.91776%0.761SS**PPolyproline II helixtrans-47124.2170.1-74.7-81000107.7P599 G603P599-F601 PolarHBondContact O-N 2.8Å; F601-G603 PolarHBondContact O-N 3.3Å
602A39.9Very low41.5Very low99 Ų99121.8 Ų121.882%0.81875%0.754SS**  trans-52.1115.9177.600000107.4G600 A604G600-A602 PolarHBondContact O-N 2.85Å; A602-A604 PolarHBondContact O-N 3.45Å
603G45.2Very low40.6Very low70 Ų70118.5 Ų118.572%0.72274%0.738SS**  trans-54.1130.6-176.500000108.5F601 K605F601-G603 PolarHBondContact O-N 3.3Å; G603-K605 PolarHBondContact O-N 3.29Å; G603-K605 VanDerWaalsContact O-N 3.07Å
604A39Very low39.9Very low102 Ų102110.7 Ų110.784%0.84372%0.717SS**  trans-50.5123.5178.900000108.4A602 G606A602-A604 PolarHBondContact O-N 3.45Å; A604-G606 PolarHBondContact O-N 2.7Å
605K34Very low39.3Very low166 Ų166111.8 Ų111.872%0.72272%0.72SS**  trans-50.8109.7-178.7178.8-163.5177.1-166.60108G603 E607G603-K605 PolarHBondContact O-N 3.29Å; G603-K605 VanDerWaalsContact O-N 3.07Å; K605-E607 VanDerWaalsContact C-N 3.35Å; K605-E607 HydrophobicContact CD-CG 4.04Å; K605-E607 WeakPolarHBondContact CE-OE1 3.16Å; K605-E607 HydrophobicContact CG-CG 4.31Å; K605-E607 IonicContact NZ-OE1 2.95Å; K605-E607 PolarHBondContact NZ-OE1 3.27Å; K605-E607 PolarHBondContact O-N 3.26Å
606G38.6Very low39.1Very low75 Ų75110.8 Ų110.877%0.77371%0.713SS**  trans-67.296.9172.400000108.3A604A604-G606 PolarHBondContact O-N 2.7Å
607E33.7Very low38.7Very low137 Ų137109.1 Ų109.164%0.6470%0.697SS**  trans-73.1148.2165.8-59.1-147.4136.400109.2K605 G609K605-E607 VanDerWaalsContact C-N 3.35Å; K605-E607 HydrophobicContact CD-CG 4.04Å; K605-E607 WeakPolarHBondContact CE-OE1 3.16Å; K605-E607 HydrophobicContact CG-CG 4.31Å; K605-E607 IonicContact NZ-OE1 2.95Å; K605-E607 PolarHBondContact NZ-OE1 3.27Å; K605-E607 PolarHBondContact O-N 3.26Å; E607-G609 PolarHBondContact O-N 3.26Å
608P37.4Very low38.4Very low127 Ų127111 Ų11183%0.82570%0.698SS**  trans-67.8134.3-143.6-26.636.7000114.7
609G32.6Very low38.1Very low59 Ų59106.2 Ų106.261%0.60869%0.688SS**  trans-75.2176.7155.500000111.6E607E607-G609 PolarHBondContact O-N 3.26Å
610D34.9Very low37.8Very low136 Ų136107.9 Ų107.973%0.72769%0.69SS**  trans75.7100.9163.4-59.310000115.8
611Y31.8Very low37.3Very low204 Ų204110 Ų11080%0.869%0.691SS**  81159.977.5-69.5-46.5000111.3
612I30.9Very low37.2Very low76 Ų76102.9 Ų102.939%0.3968%0.676SS.*  cis-150.61708.1-142.4155.3000110.8G696 A697 K698I612-G696 VanDerWaalsContact CG2-O 3.28Å; I612-G696 WeakPolarHBondContact CG2-O 3.38Å; I612-A697 VanDerWaalsContact CG2-CA 3.48Å; I612-K698 HydrophobicContact CD1-CB 4.22Å; I612-K698 VanDerWaalsContact CD1-N 3.32Å; I612-K698 VanDerWaalsContact CG1-N 3.35Å
613A32.7Very low36.8Very low64 Ų64107.3 Ų107.353%0.52968%0.677SS.*  trans-153.4-172.4174.300000110.8K698A613-K698 CarbonylContact O-C 3.43Å
614V35Very low36.1Very low82 Ų82113.5 Ų113.550%0.49768%0.684SS.*  trans100.4148.1171.1179.80000116.6A700V614-A700 WeakPolarHBondContact CG1-O 3.4Å
615A37.7Very low35.9Very low81 Ų81112.3 Ų112.367%0.66968%0.681SS**  trans-158158142.800000108.6
616S39.6Very low36Very low87 Ų87112.8 Ų112.861%0.60869%0.686SS**  cis-144.4149.38.5-56.60000112.9A700 R701S616-A700 CarbonylContact C-O 3.55Å; S616-R701 WeakPolarHBondContact O-CB 3.07Å; S616-R701 PolarHBondContact O-N 3.28Å
617L44Very low36.1Very low93 Ų93119.6 Ų119.649%0.48769%0.688SS.*  trans-78.2166156.9-75155000110.8A700 R701L617-A700 HydrophobicContact CD1-CB 3.87Å; L617-A700 HydrophobicContact CD2-CB 3.93Å; L617-A700 HydrophobicContact CG-CB 3.74Å; L617-R701 HydrophobicContact CD2-CB 4.01Å; L617-R701 HydrophobicContact CD2-CG 3.79Å; L617-R701 HydrophobicContact CG-CB 4.16Å; L617-R701 HydrophobicContact CG-CG 4.48Å
618P39.9Very low36.2Very low106 Ų106116.3 Ų116.369%0.68869%0.691SS**  -144.3139.490.735.3-19.4000116R701P618-R701 VanDerWaalsContact C-NH2 3.35Å; P618-R701 PolarHBondContact O-NH1 3.35Å; P618-R701 PolarHBondContact O-NH2 3.46Å
619G36.3Very low36.3Very low65 Ų65116.8 Ų116.867%0.6769%0.692SS**  trans-172.334.6-179.900000115.9
620L42.6Very low36.5Very low156 Ų156119.8 Ų119.882%0.81770%0.701SS**  trans-91152.7167.6-84149.5000108.4
621P37.2Very low36.6Very low117 Ų117116.5 Ų116.576%0.7670%0.7SS**  -130.316053.735.3-17.9000113.6F623P621-F623 HydrophobicContact CB-CD2 4.44Å
622G39.3Very low37Very low58 Ų58111.4 Ų111.460%0.59870%0.7SS**  111.6166.353.800000108.5
623F30.1Very low37.3Very low193 Ų193114.2 Ų114.285%0.84672%0.723SS**  cis-160.7150.1-13.7-106.2-66.2000109.4P621P621-F623 HydrophobicContact CB-CD2 4.44Å
624K31.5Very low37.5Very low200 Ų200114.7 Ų114.787%0.8773%0.734SS**  trans56.168.4139.7-161.1-177.1179.3-179.30119.4
625G35.3Very low37.5Very low76 Ų76119.8 Ų119.878%0.78476%0.757SS**  trans37.6139.7133.900000123.9
626E35.2Very low37.3Very low176 Ų176127.6 Ų127.682%0.82277%0.77SS**  trans-101.5120.5153.8-63.1-154116.900108.3
627R40Very low37.3Very low218 Ų218126.6 Ų126.682%0.82377%0.772SS**  69.1100.674.8-168.8-167.5-55.8-1544.6111
628G37.1Very low37.4Very low68 Ų68127.9 Ų127.970%0.70179%0.787SS**PPolyproline II helixtrans-63.4148.7168.800000111.2
629T38Very low37.6Very low137 Ų137129.6 Ų129.684%0.8480%0.795SS**PPolyproline II helixtrans-60.4137.8169.4370000109.8
630P37.8Very low37.6Very low122 Ų122129.3 Ų129.379%0.79279%0.792SS**PPolyproline II helixtrans-59.4144.4178.9-24.634.5000112.1
631G37.8Very low37.6Very low68 Ų68129.5 Ų129.570%0.70179%0.794SS**PPolyproline II helixtrans-64.1150.5164.100000110.7
632A39.5Very low38Very low97 Ų97129.8 Ų129.880%0.80279%0.793SS**PPolyproline II helixtrans-60.1131.4166.500000109G634A632-G634 PolarHBondContact O-N 2.67Å
633P37.7Very low38.2Very low134 Ų134130.2 Ų130.287%0.8780%0.798SS**PPolyproline II helixtrans-62.7135.2177.426.3-33.6000110.2
634G35.1Very low38.8Very low74 Ų74129 Ų12976%0.76380%0.8SS**  trans-93.9-173.8-16600000115.8A632A632-G634 PolarHBondContact O-N 2.67Å
635L35.9Very low39.4Very low189 Ų189126.7 Ų126.799%0.9980%0.796SS**  trans-107.5158.4156.2-80.7169.7000109.9
636R34.3Very low40Very low246 Ų246126.4 Ų126.493%0.92879%0.793SS**  trans-124125.7-148.7173.6-174.9173.2-168.1-1.3114.2
637G39Very low40.3Very low65 Ų65123.2 Ų123.267%0.6779%0.791SS**  trans77.4177.4157.100000116.8
638P46.9Very low40.8Very low121 Ų121119 Ų11979%0.78679%0.792SS**  cis-88.9162.9-10.441.2-36000110.4
639V42.4Very low41.3Very low142 Ų142119 Ų11986%0.86179%0.792SS**  57.4121.856-169.40000112.9
640G36.7Very low41.6Very low59 Ų59120.7 Ų120.761%0.60879%0.794SS**  cis159.892.1-13.700000114.7
641D42.9Very low42.2Very low159 Ų159120.8 Ų120.885%0.8580%0.795SS**  trans-148.7145.8179.7-72.4-68.4000108.4
642T46Very low42.6Very low123 Ų123120.7 Ų120.776%0.75579%0.794SS**  cis-138.8148.6-14.4-62.50000107.1
643G43.6Very low42.5Very low67 Ų67124.8 Ų124.869%0.69180%0.799SS**  trans-70.4140.2179.300000113.3
644L41.7Very low43Very low169 Ų169124.5 Ų124.589%0.88580%0.797SS**  trans-95.6112.6163.7-80.7172.1000109.7
645D44.4Very low43.4Very low150 Ų150124.6 Ų124.680%0.80280%0.798SS**  trans10.1108.7162.6-54.5-33.6000117.7
646G47.2Very low43.9Very low70 Ų70125.3 Ų125.372%0.72280%0.796SS**PPolyproline II helixtrans-65.8140.6156.700000110.1
647S42.3Very low44Very low110 Ų110123.7 Ų123.777%0.76980%0.796SS**PPolyproline II helixtrans-51.3132.2168.654.80000110.2G649S647-G649 PolarHBondContact O-N 3.4Å
648P51.2Low44.2Very low129 Ų129124 Ų12484%0.83880%0.799SS**PPolyproline II helixtrans-53.4133.7-176.6-29.135.2000113.1
649G48Very low44.1Very low68 Ų68127.3 Ų127.370%0.70180%0.804SS**PPolyproline II helixtrans-62145.1166.500000110.3S647S647-G649 PolarHBondContact O-N 3.4Å
650L44Very low43.9Very low172 Ų172130.1 Ų130.190%0.90181%0.808SS**PPolyproline II helixtrans-55.4132.1168.7-77.7166.9000108.9G652L650-G652 PolarHBondContact O-N 2.8Å
651P50.7Low44.1Very low124 Ų124130.7 Ų130.781%0.80581%0.813SS**PPolyproline II helixtrans-52.7125.2-179.5-29.536000112
652G44.9Very low43.9Very low66 Ų66129.9 Ų129.968%0.6881%0.814SS**PPolyproline II helixtrans-60.8143174.200000110.8L650 P654L650-G652 PolarHBondContact O-N 2.8Å; G652-P654 VanDerWaalsContact O-CD 3.26Å; G652-P654 WeakPolarHBondContact O-CD 3.35Å
653M36.9Very low43.4Very low183 Ų183130.9 Ų130.990%0.90182%0.82SS**PPolyproline II helixtrans-57.2119.2-174.7-58.9178.477.900111.3G655M653-G655 PolarHBondContact O-N 3.44Å
654P48.7Very low43.1Very low129 Ų129131.2 Ų131.284%0.83882%0.822SS**PPolyproline II helixtrans-61.6129.9169.5-2235.1000109.9G652G652-P654 VanDerWaalsContact O-CD 3.26Å; G652-P654 WeakPolarHBondContact O-CD 3.35Å
655G43.6Very low42.8Very low76 Ų76126.3 Ų126.378%0.78481%0.813SS**PPolyproline II helixtrans-74158.3-166.100000115.4M653 K657M653-G655 PolarHBondContact O-N 3.44Å; G655-K657 PolarHBondContact O-N 3.37Å
656Q47.2Very low42.4Very low203 Ų203130.8 Ų130.895%0.94982%0.819SS**PPolyproline II helixtrans-67.5125173-70178.9-2200112.1
657K36.4Very low41.9Very low213 Ų213131.5 Ų131.593%0.92682%0.818SS**  trans-163130.1155.2-159.7174.9-176-178.70109.1G655G655-K657 PolarHBondContact O-N 3.37Å
658G43.5Very low41.6Very low70 Ų70134.6 Ų134.672%0.72282%0.818SS**  cis-169.3170.5-7.500000110.3
659E44.7Very low40.8Very low191 Ų191136.9 Ų136.989%0.89382%0.817SS**  trans-80.6128.9-178.2-61.9179.1118.700113
660Q36.7Very low40.3Very low202 Ų202137.2 Ų137.294%0.94482%0.82SS**  trans-179.2150142.7-100.2160.334.100108.9
661G40.8Very low40.4Very low70 Ų70139.4 Ų139.472%0.72282%0.816SS**  cis-129.6-175.52.500000113.7
662V39.7Very low39.6Very low143 Ų143139 Ų13987%0.86781%0.805SS**  trans-127.4168.5-170.6-178.90000109.8
663V35Very low39.1Very low144 Ų144139.4 Ų139.487%0.87381%0.81SS**  trans90.5123.9174.2-170.90000113.1
664G37.1Very low38.8Very low73 Ų73138.2 Ų138.275%0.75380%0.799SS**  cis-168.3-178.9-2.300000112.2
665G36.5Very low38.2Very low67 Ų67140.3 Ų140.369%0.69180%0.802SS**  cis134.8115.5-4.600000113.2
666R36.3Very low37.8Very low243 Ų243139.9 Ų139.992%0.91780%0.797SS**  trans71.6162.9-177.6-44167.3172.4174-2.2111.5
667A36.2Very low37.6Very low86 Ų86139.4 Ų139.471%0.71180%0.795SS**  cis-158.1167.78.700000108.3
668K35.6Very low37.9Very low174 Ų174135.6 Ų135.676%0.75779%0.792SS**  cis-164.6149.4-12.7-119.9170.5-169173.70109.7
669H33.9Very low37.5Very low178 Ų178135.8 Ų135.882%0.82479%0.794SS**  trans-8.6141.6145.8-47.8-35.6000120.7
670G38.4Very low36.9Very low74 Ų74136 Ų13676%0.76380%0.798SS**  trans173.9121.8151.200000111
671R46.1Very low36.9Very low218 Ų218136.1 Ų136.182%0.82380%0.795SS**  cis-136143.9-5.9-85.6-170.3172.2-171.6-0.8107.8
672M33.7Very low36.6Very low115 Ų115135.6 Ų135.657%0.56779%0.789SS**  47.9133.981-51.6-163.1-54.500112.5K674M672-K674 HydrophobicContact SD-CD 3.81Å; M672-K674 PolarHBondContact SD-NZ 3.02Å; M672-K674 VanDerWaalsContact SD-NZ 3.37Å
673G34.8Very low36.4Very low76 Ų76137.2 Ų137.278%0.78479%0.788SS**  cis105.7170.237.500000108.8
674K30.9Very low36.6Very low158 Ų158136.2 Ų136.269%0.68778%0.784SS**  cis-174.3-174.625.6-124.6178.4-179.61790108.7M672M672-K674 HydrophobicContact SD-CD 3.81Å; M672-K674 PolarHBondContact SD-NZ 3.02Å; M672-K674 VanDerWaalsContact SD-NZ 3.37Å
675I34.8Very low36.4Very low172 Ų172135.8 Ų135.888%0.88278%0.78SS**  trans78.6141.2164.8-58.3129.6000113.8
676G36.2Very low36.3Very low67 Ų67139.2 Ų139.269%0.69178%0.782SS**  cis-138.315210.300000116.7
677Q42.7Very low36.4Very low193 Ų193132.6 Ų132.690%0.90277%0.773SS**  trans-87.3-178.3157.4-54160.6-61.100107.8
678P41.4Very low36.4Very low133 Ų133136.7 Ų136.786%0.86478%0.775SS**  cis-127-171.4-7.540.9-24.7000113
679G36.6Very low36.8Very low74 Ų74134 Ų13476%0.76378%0.775SS**  trans-161.9147.4170.100000112.7
680M31.7Very low36.8Very low197 Ų197128.4 Ų128.497%0.9777%0.766SS**  trans-118.2175.4-176.1-72.4175.263.700112.5
681K36.4Very low36.8Very low203 Ų203132.8 Ų132.888%0.88377%0.771SS**  trans-72.1136.7-164.2-178.7-167.3174.8-163.80115.9
682G35.6Very low36.8Very low59 Ų59128.4 Ų128.461%0.60877%0.771SS**  trans172.1118.5161.700000108.3
683E33.7Very low36.8Very low178 Ų178126.1 Ų126.183%0.83278%0.777SS**  68.9140.779.3-72.2-175.6-175.700114.7
684P40.2Very low36.7Very low122 Ų122131 Ų13179%0.79278%0.783SS**  cis-135.1168.9-38.939.4-24.5000114
685G33.1Very low37.2Very low65 Ų65129.2 Ų129.267%0.6779%0.79SS**  trans81.1157.1171.800000115.6
686D33.4Very low37.3Very low139 Ų139123.4 Ų123.474%0.74377%0.773SS**  cis-155160.5-10.3-110.2-37.9000111.7
687S39.7Very low37Very low103 Ų103124 Ų12472%0.7277%0.771SS**  trans70.1121.2168.4-58.90000120.4
688F35.7Very low36.3Very low173 Ų173122.5 Ų122.576%0.75976%0.762SS**  cis-162.8159.3-43.1-99.4-45.7000107.6
689P43.6Very low36.7Very low116 Ų116118.4 Ų118.475%0.75374%0.744SS**  trans-143.4-163.8-130.139.5-16.2000115.1
690G33.5Very low36.5Very low61 Ų61117.3 Ų117.363%0.62973%0.727SS**  trans81.8121.7152.800000116.4
691L38.5Very low36.6Very low166 Ų166112.3 Ų112.387%0.86970%0.698SS**  cis64.6155.431.1-47.8172.6000114.3
692P47.7Very low37Very low126 Ų126105.6 Ų105.682%0.81869%0.686SS**  cis-138.1-173.7-47.639.4-24000111.9
693G33.4Very low36.9Very low67 Ų67108.1 Ų108.169%0.69168%0.682SS**  trans161.3110.2155.900000119.9
694I31.3Very low37Very low180 Ų180104.6 Ų104.692%0.92368%0.675SS**  trans16.5148.6138.825.2172.7000122.8
695S42.7Very low37Very low119 Ų119102.3 Ų102.383%0.83267%0.673SS**  trans-83140.617740.30000114.5
696G37.1Very low37Very low50 Ų50108.8 Ų108.852%0.51568%0.677SS.*  trans175.3141.4173.900000117.5I612I612-G696 VanDerWaalsContact CG2-O 3.28Å; I612-G696 WeakPolarHBondContact CG2-O 3.38Å
697A29.7Very low37.2Very low79 Ų79108 Ų10865%0.65368%0.68SS**  trans16.3109.3167.500000124.2I612I612-A697 VanDerWaalsContact CG2-CA 3.48Å
698K28.1Very low37Very low162 Ų162106.4 Ų106.470%0.70468%0.679SS**  67.6138.2125-148.1176.1-168.8177.80121.2I612 A613I612-K698 HydrophobicContact CD1-CB 4.22Å; I612-K698 VanDerWaalsContact CD1-N 3.32Å; I612-K698 VanDerWaalsContact CG1-N 3.35Å; A613-K698 CarbonylContact O-C 3.43Å
699G49.5Very low37Very low48 Ų48104 Ų10450%0.49567%0.672SS.*  trans-72.2174.3-170.900000119.8
700A32.7Very low36.8Very low50 Ų50106 Ų10641%0.41368%0.676SS.*  trans74.6141.5-171.700000116.1V614 S616 L617V614-A700 WeakPolarHBondContact CG1-O 3.4Å; S616-A700 CarbonylContact C-O 3.55Å; L617-A700 HydrophobicContact CD1-CB 3.87Å; L617-A700 HydrophobicContact CD2-CB 3.93Å; L617-A700 HydrophobicContact CG-CB 3.74Å
701R32.4Very low37.4Very low93 Ų93106.5 Ų106.535%0.35168%0.681SS.*  cis-136.4172.526.9-154-161.7-142.4154.210.8113S616 L617 P618 E703S616-R701 WeakPolarHBondContact O-CB 3.07Å; S616-R701 PolarHBondContact O-N 3.28Å; L617-R701 HydrophobicContact CD2-CB 4.01Å; L617-R701 HydrophobicContact CD2-CG 3.79Å; L617-R701 HydrophobicContact CG-CB 4.16Å; L617-R701 HydrophobicContact CG-CG 4.48Å; P618-R701 VanDerWaalsContact C-NH2 3.35Å; P618-R701 PolarHBondContact O-NH1 3.35Å; P618-R701 PolarHBondContact O-NH2 3.46Å; R701-E703 VanDerWaalsContact CD-OE1 3.3Å; R701-E703 WeakPolarHBondContact CD-OE1 3.39Å; R701-E703 IonicContact CZ-OE1 3.83Å; R701-E703 IonicContact NE-OE1 2.78Å; R701-E703 PolarHBondContact NE-OE1 2.68Å; R701-E703 VanDerWaalsContact NE-OE1 3.14Å; R701-E703 IonicContact NH1-OE1 2.68Å; R701-E703 PolarHBondContact NH1-OE1 2.62Å; R701-E703 IonicContact NH1-OE2 3.58Å; R701-E703 IonicContact NH2-OE1 3.27Å
702G45.4Very low37.6Very low61 Ų61104.4 Ų104.463%0.62968%0.678SS**  trans-110.2147.1156.800000111.4
703E33.2Very low37.3Very low112 Ų112105.4 Ų105.452%0.52368%0.681SS.*  trans-165.7167.3173.2-121.9159.3-131.300109.1R701 R1128R701-E703 VanDerWaalsContact CD-OE1 3.3Å; R701-E703 WeakPolarHBondContact CD-OE1 3.39Å; R701-E703 IonicContact CZ-OE1 3.83Å; R701-E703 IonicContact NE-OE1 2.78Å; R701-E703 PolarHBondContact NE-OE1 2.68Å; R701-E703 VanDerWaalsContact NE-OE1 3.14Å; R701-E703 IonicContact NH1-OE1 2.68Å; R701-E703 PolarHBondContact NH1-OE1 2.62Å; R701-E703 IonicContact NH1-OE2 3.58Å; R701-E703 IonicContact NH2-OE1 3.27Å; E703-R1128 VanDerWaalsContact O-CZ 3.29Å; E703-R1128 PolarHBondContact O-NH1 3.1Å; E703-R1128 PolarHBondContact O-NH2 3.27Å
704P36.7Very low37.6Very low105 Ų105105.4 Ų105.468%0.68268%0.681SS**  cis-111171.9-1728.8-11.1000112.3
705G38.7Very low38Very low73 Ų73105.2 Ų105.275%0.75368%0.681SS**  trans-95.4166.7176.100000114.4
706R33.6Very low37.7Very low202 Ų202105.3 Ų105.376%0.76268%0.679SS**  trans-123.1148.8155.2-91.4-167.8169.8-158-3.4108.6
707P38Very low38.2Very low123 Ų123106.2 Ų106.280%0.79969%0.688SS**  trans-116.3173.2-131.412.910000115.1
708G36.2Very low38.7Very low69 Ų69107.8 Ų107.871%0.71169%0.691SS**  trans87146179.200000113
709M34.8Very low38.9Very low121 Ų121109.4 Ų109.460%0.59670%0.702SS**  cis-117.8169.48.3-55.4-17876.500112.1P1135 L1137M709-P1135 HydrophobicContact SD-CB 4.19Å; M709-P1135 HydrophobicContact SD-CG 4.11Å; M709-L1137 HydrophobicContact CE-CD1 3.69Å; M709-L1137 HydrophobicContact SD-CD1 4.24Å
710D38.9Very low38.9Very low160 Ų160111.6 Ų111.686%0.85672%0.715SS**  trans-84.7169.7-161.6-51.8-84.5000116.2
711G47.3Very low39.4Very low71 Ų71115.6 Ų115.673%0.73274%0.736SS**  trans-86-176.3177.700000114.8
712P41.3Very low39.4Very low122 Ų122118.4 Ų118.479%0.79276%0.757SS**  -127.4133.1101.734.9-28.4000112
713V42.4Very low38.9Very low147 Ų147125.1 Ų125.189%0.89176%0.763SS**  57.5113.384.6-177.70000112.7
714G40.3Very low38.9Very low66 Ų66126.5 Ų126.568%0.6877%0.77SS**  trans-122.3-167.2174.900000112.6
715L39Very low38.8Very low177 Ų177129.9 Ų129.993%0.92778%0.78SS**  trans-136.7159.4176.8-75.2178.3000112
716P37.5Very low38.3Very low121 Ų121136.3 Ų136.379%0.78679%0.788SS**  trans-104.9171.7-1534.918.1000114.9
717G46.7Very low38.4Very low69 Ų69130.3 Ų130.371%0.71179%0.789SS**  trans-95.5174.5163.300000112.9
718P40.8Very low38.2Very low112 Ų112131.3 Ų131.373%0.72779%0.792SS**  trans-137.2129.2138.537-23.8000111.9
719E30.8Very low38.4Very low196 Ų196131.9 Ų131.992%0.91678%0.783SS**  98.2155.691.9-76.1-173.8169.700114.2
720A49.8Very low38.6Very low94 Ų94129.7 Ų129.778%0.77779%0.791SS**  trans-157134176.200000111.4
721P43.6Very low38.4Very low133 Ų133130 Ų13086%0.86479%0.792SS**  trans-119.3117178.735.2-22.4000116.4
722I33.2Very low38.1Very low153 Ų153132.5 Ų132.579%0.78580%0.796SS**  trans-33.7139.4157.3-22.9174.3000116.7
723R34.5Very low38.1Very low201 Ų201130.2 Ų130.276%0.75879%0.794SS**  167.1134.7111.9-90.6-177-173.6-102.72.7117.4
724E32.2Very low38.1Very low141 Ų141135.3 Ų135.366%0.65980%0.797SS**  trans28.2131.1136.3-56166.3119.900123.2
725I34.7Very low38.3Very low176 Ų176138.2 Ų138.290%0.90380%0.804SS**  174.6159.5113.4-88.6162.7000110.4
726K29.4Very low38.4Very low209 Ų209133.4 Ų133.491%0.90980%0.797SS**  trans-126.1110.2-171.2-180-175.9-178.4-178.80112
727G36Very low38.3Very low76 Ų76135.8 Ų135.878%0.78480%0.802SS**  trans17095.1174.700000118.6
728V32.2Very low38.2Very low143 Ų143140.7 Ų140.787%0.86781%0.811SS**  trans-37.6172.3160.5-88.70000118.9
729P40.6Very low38.7Very low82 Ų82138.4 Ų138.453%0.53281%0.807SS.*  cis-142.2154.5-1030.5-8.7000118.8F11F11-P729 HydrophobicContact CD2-CG 4.18Å; F11-P729 HydrophobicContact CE2-CB 4.46Å; F11-P729 HydrophobicContact CE2-CG 3.65Å; F11-P729 HydrophobicContact CZ-CG 3.94Å
730G38.9Very low39.5Very low74 Ų74135.3 Ų135.376%0.76380%0.804SS**  trans72.1165147.700000119.4
731L35.5Very low39Very low168 Ų168140.9 Ų140.988%0.8881%0.811SS**  cis-165.9-175.4-6.7-103.4171.2000107.7
732P40.1Very low39.4Very low123 Ų123137.8 Ų137.880%0.79980%0.803SS**  -98.7172.5-89.737.3-19.5000115.1
733G42.3Very low39.8Very low73 Ų73139.3 Ų139.375%0.75381%0.807SS**  trans-115.3177.9-179.200000116.2
734R41.6Very low40.9Very low254 Ų254136.1 Ų136.196%0.95881%0.812SS**  trans-151.7163.8165.1-93.8-150.6170.4-160.2-3.8111.9
735P44.5Very low41.9Very low127 Ų127132.4 Ų132.483%0.82581%0.812SS**  trans-122.9173.7-142.942.8-32.4000116.7
736G41.3Very low42.3Very low77 Ų77131.8 Ų131.879%0.79481%0.809SS**  trans-160.8134.7167.200000111.6
737L35.4Very low43.4Very low170 Ų170127.6 Ų127.689%0.8980%0.803SS**  trans-81.9152.5-171.4-70.1157.5000113.9
738I45.3Very low44.3Very low173 Ų173127.3 Ų127.389%0.88780%0.8SS**  -159.6156.4112-101.7163.9000110.2
739G50.9Low44.8Very low63 Ų63128.6 Ų128.665%0.64980%0.801SS**  trans-83.3-176.5-162.400000117.7
740P46.6Very low45.4Very low132 Ų132130.8 Ų130.886%0.85782%0.815SS**  trans-93.9170.7-160.837.7-38.1000114.9
741K39.8Very low46.1Very low211 Ų211130.9 Ų130.992%0.91782%0.816SS**  trans-117.6128.4151.2-167.2170.6-177177.30108.5
742G52.5Low46.2Very low68 Ų68132.4 Ų132.470%0.70182%0.819SS**  trans-82.5175.1-163.500000116.1
743E41.4Very low46.3Very low184 Ų184138.1 Ų138.186%0.8682%0.824SS**  trans-64142.8178.4-58.2174.7141.900112.1G745E743-G745 PolarHBondContact O-N 3.24Å
744P57.4Low46.6Very low134 Ų134137.6 Ų137.687%0.8782%0.819SS**  trans-64.7102.6163.8-18.332.3000109.7
745G53.5Low46.3Very low64 Ų64131 Ų13166%0.6681%0.812SS**PPolyproline II helixtrans-62.3146.3-177.500000113.4E743E743-G745 PolarHBondContact O-N 3.24Å
746I42.2Very low46.5Very low162 Ų162131.3 Ų131.383%0.83181%0.814SS**PPolyproline II helixtrans-57.9130.2171.2-57.7173000108.4G748I746-G748 PolarHBondContact O-N 2.75Å; I746-G748 VanDerWaalsContact O-N 3.13Å
747P53.5Low46.4Very low122 Ų122130.8 Ų130.879%0.79281%0.809SS**PPolyproline II helixtrans-55.6119.3179.1-27.835.8000112.1
748G55.4Low46.4Very low69 Ų69130.3 Ų130.371%0.71181%0.806SS**PPolyproline II helixtrans-66.7147.8174.900000111.6I746I746-G748 PolarHBondContact O-N 2.75Å; I746-G748 VanDerWaalsContact O-N 3.13Å
749L41.6Very low46.4Very low171 Ų171128.1 Ų128.190%0.89580%0.804SS**PPolyproline II helixtrans-61.7144170.1-74.8166.6000109.9G751L749-G751 PolarHBondContact O-N 3.41Å
750P53.7Low45.8Very low127 Ų127128.4 Ų128.483%0.82581%0.806SS**PPolyproline II helixtrans-56.6128.9-173.7-26.935.4000112.9
751G53.4Low45.4Very low76 Ų76129.9 Ų129.978%0.78481%0.806SS**PPolyproline II helixtrans-72.3140.9178.800000112.4L749L749-G751 PolarHBondContact O-N 3.41Å
752E37.2Very low45.4Very low201 Ų201125.6 Ų125.694%0.93980%0.798SS**PPolyproline II helixtrans-64.9147.6167.9-70.8-157.7133.900111.3G754E752-G754 PolarHBondContact O-N 2.77Å
753R42.2Very low44.9Very low242 Ų242126.4 Ų126.491%0.91381%0.806SS**  trans-68.4112.4-168.2178.3-178.7-65.8164.10.7111.6S755R753-S755 PolarHBondContact O-N 3.26Å
754G49.1Very low44.7Very low63 Ų63122.5 Ų122.565%0.64980%0.799SS**PPolyproline II helixtrans-57.7131.5160.500000110.8E752E752-G754 PolarHBondContact O-N 2.77Å
755S35.9Very low44.2Very low115 Ų115123.4 Ų123.480%0.80480%0.795SS**PPolyproline II helixtrans-67.4147169.942.50000110.4R753R753-S755 PolarHBondContact O-N 3.26Å
756P47.7Very low44.1Very low133 Ų133123.7 Ų123.786%0.86480%0.798SS**PPolyproline II helixtrans-86143.6-147.9-14.732000115.2
757G39.8Very low44.5Very low67 Ų67121.2 Ų121.269%0.69179%0.792SS**  trans-155126.6158.200000109.5
758L35.9Very low43.6Very low159 Ų159121 Ų12183%0.83279%0.791SS**  cis-133162-12.5-75.797.4000109.2G760L758-G760 PolarHBondContact O-N 2.84Å
759P45.2Very low42.6Very low128 Ų128120.8 Ų120.883%0.83179%0.788SS**  trans-56.7121.2163-20.433.1000109.7
760G38.9Very low42Very low68 Ų68122 Ų12270%0.70179%0.79SS**  trans-79.5135.6-173.800000113.2L758L758-G760 PolarHBondContact O-N 2.84Å
761L36.6Very low41.4Very low164 Ų164121.8 Ų121.886%0.85979%0.788SS**  trans-118112.2143.8-72.9173.6000105.7
762T41.1Very low40.8Very low121 Ų121121.4 Ų121.474%0.74279%0.785SS**  71.611083.8-600000109.9S764T762-S764 PolarHBondContact O-N 3.15Å
763G41.5Very low40.3Very low84 Ų84121.8 Ų121.887%0.86678%0.784SS**  trans-66.4117.8-167.500000113.6
764S38Very low40.2Very low103 Ų103118.6 Ų118.672%0.7278%0.783SS**  trans-105.499.8165.659.50000110.5T762T762-S764 PolarHBondContact O-N 3.15Å
765I46Very low39.8Very low152 Ų152118.6 Ų118.678%0.77978%0.782SS**  trans49.7105140.8-51.8158.2000116.8
766G51.9Low39.8Very low70 Ų70121.1 Ų121.172%0.72279%0.786SS**  -100.8166.8119.300000108.8
767P50.4Low39.7Very low111 Ų111120.9 Ų120.972%0.72179%0.785SS**  cis-107.6-166.90.639.6-27.1000111.7
768P33.8Very low39.7Very low117 Ų117120.9 Ų120.976%0.7679%0.785SS**  -135.6165.490.938.3-27.3000114
769G34.8Very low40Very low64 Ų64119 Ų11966%0.6678%0.784SS**PPolyproline II helixtrans-77.6160.4162.300000111.1P771G769-P771 VanDerWaalsContact O-CD 3.25Å; G769-P771 WeakPolarHBondContact O-CD 3.42Å
770E28.9Very low39.7Very low198 Ų198122.1 Ų122.193%0.92579%0.787SS**PPolyproline II helixtrans-61.2121.5-175.6-63.3-178.1128.100113.2
771P41.3Very low39.7Very low121 Ų121122 Ų12279%0.78679%0.787SS**PPolyproline II helixtrans-75.9142.7153.3-626.3000108.8G769G769-P771 VanDerWaalsContact O-CD 3.25Å; G769-P771 WeakPolarHBondContact O-CD 3.42Å
772G39.7Very low39.8Very low69 Ų69120.3 Ų120.371%0.71179%0.786SS**PPolyproline II helixtrans-77.2152.5-170.700000115.7
773F28.5Very low39.8Very low209 Ų209123.2 Ų123.292%0.91779%0.788SS**  trans43147.3142.1-88.9-92.4000122.3
774I39.1Very low39.6Very low175 Ų175122.4 Ų122.490%0.89778%0.779SS**  trans80.3111.1174.6-48.3163.9000113.8
775G41.7Very low39.7Very low62 Ų62125.8 Ų125.864%0.63978%0.784SS**  cis164137.9-14.300000114.7
776L34.5Very low39.6Very low168 Ų168124.1 Ų124.188%0.8878%0.783SS**  trans52.4162.5139.8-66.7162.2000121
777P46.1Very low39Very low129 Ų129124.9 Ų124.984%0.83879%0.791SS**  cis-119.6172.8-4.940.5-27.5000113.4
778G40.7Very low38.6Very low67 Ų67127.2 Ų127.269%0.69180%0.796SS**  cis149.2137.2-9.900000113.7
779S40.6Very low38.8Very low118 Ų118128 Ų12883%0.82580%0.799SS**  trans-149.6138160.453.10000111.2
780H39Very low38.8Very low194 Ų194127.9 Ų127.990%0.89880%0.798SS**  trans-58.6150.5179.9-55.178.8000111.3
781G38.7Very low39.2Very low67 Ų67126.1 Ų126.169%0.69180%0.795SS**  cis102.9124.227.100000109.1
782P39.5Very low39.3Very low128 Ų128126.3 Ų126.383%0.83180%0.796SS**  -150.4160.484.940.4-23.5000117.8
783K42Very low39.2Very low181 Ų181126.3 Ų126.379%0.78780%0.796SS**  trans48.2116.4141.3-163.4-177.6-178.1-162.30120.1
784G37.1Very low39.5Very low67 Ų67128 Ų12869%0.69180%0.798SS**  trans-93.5171.5159.600000113.2
785E39.3Very low39.6Very low174 Ų174125.6 Ų125.681%0.81379%0.794SS**  trans-117.8133.9179-61-160.612800112
786P42.9Very low39.4Very low117 Ų117126.3 Ų126.376%0.7680%0.802SS**  trans-69156.1170.2-1832.3000112.3L788P786-L788 PolarHBondContact O-N 3.19Å
787G40.9Very low39.7Very low86 Ų86126.9 Ų126.989%0.88780%0.804SS**  trans-61.4131.9176.300000112.6
788L40.9Very low39.6Very low160 Ų160128.8 Ų128.884%0.83881%0.808SS**  trans-119.3142.6177.8-95.2162.2000111.9P786P786-L788 PolarHBondContact O-N 3.19Å
789T38Very low39.9Very low134 Ų134128.7 Ų128.782%0.82281%0.807SS**  trans-20.2128.9165.5-46.70000115.8
790G36.1Very low40.2Very low62 Ų62129 Ų12964%0.63981%0.806SS**PPolyproline II helixtrans-73.1161.4-172.600000116.6
791D37.2Very low40.6Very low161 Ų161125.9 Ų125.986%0.86180%0.803SS**PPolyproline II helixtrans-71.5133.5-170.6-57.1-71.8000114.7
792P42.3Very low41Very low124 Ų124126 Ų12681%0.80580%0.804SS**PPolyproline II helixtrans-63.1156.2161-21.934.9000112.7
793G37.1Very low41Very low69 Ų69123.5 Ų123.571%0.71179%0.788SS**PPolyproline II helixtrans-66.8150.9-166.500000116.8P795G793-P795 WeakPolarHBondContact O-CD 3.38Å
794Y35.3Very low41.1Very low246 Ų246119.8 Ų119.897%0.96578%0.782SS**PPolyproline II helixtrans-51.9135.7-178.2-59.9-84.2000116
795P40.8Very low41.5Very low123 Ų123118.8 Ų118.880%0.79977%0.772SS**  trans-134.3122.2149.533.2-15.7000113G793G793-P795 WeakPolarHBondContact O-CD 3.38Å
796G39.4Very low41.3Very low78 Ų78113.2 Ų113.280%0.80476%0.756SS**  trans83.4122.9162.500000116.8
797L40.4Very low40.9Very low179 Ų179115.4 Ų115.494%0.93776%0.761SS**  trans-111.1114.3158.4-75.9172.6000107.8
798D42.9Very low40.6Very low169 Ų169113.7 Ų113.790%0.90474%0.743SS**PPolyproline II helixtrans-78.9145.9165.1-76.6-44.2000110.2
799G46.6Very low40.2Very low65 Ų65114 Ų11467%0.6774%0.744SS**PPolyproline II helixtrans-77.9149.8-171.400000114.5
800P47.3Very low39.9Very low126 Ų126113.6 Ų113.682%0.81874%0.744SS**PPolyproline II helixtrans-68.4135.5177.428.1-34.2000112.1
801P48.8Very low40Very low128 Ų128114 Ų11483%0.83175%0.748SS**PPolyproline II helixtrans-64154.7176.9-25.535.7000115.2
802G46.6Very low40Very low70 Ų70112.5 Ų112.572%0.72274%0.744SS**PPolyproline II helixtrans-71.6149.2-177.400000115
803P40.3Very low39.6Very low74 Ų74112.4 Ų112.448%0.48174%0.741SS.*PPolyproline II helixtrans-102.1140.2-165.637.6-37.5000116.8G1398 Q1399P803-G1398 WeakPolarHBondContact O-CA 3.26Å; P803-Q1399 HydrophobicContact CB-CG 4.28Å; P803-Q1399 HydrophobicContact CG-CG 3.39Å
804P43.4Very low39.4Very low103 Ų103114.5 Ų114.567%0.66974%0.74SS**  trans-70.9-178.6147.2-1632.3000111.5
805G44.7Very low39.3Very low46 Ų46110 Ų11047%0.47474%0.738SS.*  cis-178.3143.6-3.300000108.5
806A36Very low38.9Very low57 Ų57113.2 Ų113.247%0.47174%0.74SS.*  trans-159160.2-174.100000109.2P1397A806-P1397 WeakPolarHBondContact O-CB 3.47Å
807D34.8Very low38.7Very low163 Ų163112.3 Ų112.387%0.87273%0.73SS**  cis-142.1-178.9-6.7-146.435.2000107.1
808G34Very low38.3Very low50 Ų50113.2 Ų113.252%0.51573%0.732SS.*  cis169.6-166.711.300000109.5
809I33Very low37.7Very low166 Ų166113.3 Ų113.385%0.85172%0.724SS**  trans-168.9144.7148.4-105.7154.6000110.8
810P31.9Very low37.2Very low127 Ų127113.1 Ų113.183%0.82572%0.722SS**  trans-99.1157.1-171.66.715.6000113.7
811G37.7Very low36.5Very low70 Ų70114.6 Ų114.672%0.72272%0.718SS**  trans-178.381.117500000117.4
812V36Very low35.5Very low129 Ų129112.5 Ų112.578%0.78271%0.712SS**  trans35.391.1140.1-174.40000116.3
813T34.2Very low35Very low122 Ų122117.4 Ų117.475%0.74872%0.72SS**  58.1145.483.976.10000115.2
814V32.9Very low34.6Very low113 Ų113120.5 Ų120.569%0.68574%0.737SS**  cis-145.8136.69.8-1750000110K816V814-K816 HydrophobicContact CG1-CB 3.98Å
815V33.7Very low34.2Very low153 Ų153118.9 Ų118.993%0.92774%0.739SS**  trans-140.878.9131.5-170.50000109.3
816K32.6Very low33.9Very low190 Ų190123.1 Ų123.183%0.82676%0.758SS**  trans-72.6138.3161-178.8179.2-178.3179.70107.3V814V814-K816 HydrophobicContact CG1-CB 3.98Å
817G35.5Very low34.2Very low58 Ų58129 Ų12960%0.59878%0.779SS**  cis119.3121.48.600000110.3
818M30.7Very low34.1Very low199 Ų199124.6 Ų124.698%0.9877%0.773SS**  trans-136.9132.7173.5-65.9-170.175.900110
819K31.6Very low33.9Very low170 Ų170127.5 Ų127.574%0.73979%0.792SS**  trans-148.4141.2176.4172.2-176.5176.7-67.40108.7E821K819-E821 IonicContact NZ-OE1 2.77Å; K819-E821 PolarHBondContact NZ-OE1 2.87Å; K819-E821 IonicContact NZ-OE2 3.27Å; K819-E821 PolarHBondContact NZ-OE2 3.28Å
820G34.8Very low34.1Very low61 Ų61128.6 Ų128.663%0.62979%0.794SS**  trans79167.115900000115.9
821E32.9Very low35Very low157 Ų157125.7 Ų125.773%0.73479%0.786SS**  cis-161.4172.1-8.7-138.2115.1-97.500109.7K819K819-E821 IonicContact NZ-OE1 2.77Å; K819-E821 PolarHBondContact NZ-OE1 2.87Å; K819-E821 IonicContact NZ-OE2 3.27Å; K819-E821 PolarHBondContact NZ-OE2 3.28Å
822A29Very low34.9Very low85 Ų85128.8 Ų128.870%0.70279%0.794SS**  trans-153.5160.4173.700000112.7
823I35.5Very low35.2Very low173 Ų173128.5 Ų128.589%0.88780%0.797SS**  trans82.6157.2170-50172.4000114.6
824V32.8Very low36Very low139 Ų139126.3 Ų126.384%0.84280%0.799SS**  trans-136.2136.6-148.3169.70000114.6
825G34.6Very low36.2Very low68 Ų68125.2 Ų125.270%0.70180%0.795SS**  trans76-179.1149.700000118.8
826P38.2Very low36.6Very low136 Ų136125.1 Ų125.188%0.88378%0.782SS**  cis-130.2-167.3-10.139.4-20.9000114.8
827I41.9Very low36.8Very low179 Ų179117 Ų11792%0.91875%0.752SS**  trans-93.8150.5-157.4-64.3159.6000116.8
828G33.3Very low36.7Very low72 Ų72119.6 Ų119.674%0.74275%0.748SS**  trans171.1144.4151.700000112.3
829A29.6Very low36.9Very low110 Ų110119.3 Ų119.391%0.90974%0.736SS**  cis-156176.6-3.400000110.7
830E36.1Very low37.2Very low190 Ų190112.6 Ų112.689%0.88872%0.716SS**  trans-134.7154.1-173.2-175.9178.6-147.800113.5
831G51.6Low37.3Very low65 Ų65116.4 Ų116.467%0.6772%0.722SS**  trans110.3148.7171.800000114.2
832P35.1Very low37.4Very low135 Ų135111.1 Ų111.188%0.87770%0.702SS**  cis-134.117039.941.4-26.6000116.7
833S42.8Very low37.6Very low123 Ų123110.6 Ų110.686%0.8671%0.705SS**  trans-125.4129.8-174.8-580000115.1
834G50.1Low37.6Very low76 Ų76109.3 Ų109.378%0.78470%0.699SS**  trans66.6141.913700000122.2
835P37.1Very low38.2Very low91 Ų91107.1 Ų107.159%0.59169%0.688SS**  trans-101.9120.5161.134.7-26.5000112.8Q1417P835-Q1417 HydrophobicContact CB-CG 4.38Å
836K41.9Very low38Very low150 Ų150107.4 Ų107.465%0.65269%0.691SS**  trans-82.4156.8175.1176.7-174.8171.7-165.50112.4E838 Q1417K836-E838 WeakPolarHBondContact CE-OE1 3.37Å; K836-E838 IonicContact NZ-OE1 2.69Å; K836-E838 PolarHBondContact NZ-OE1 2.85Å; K836-Q1417 PolarHBondContact O-NE2 3.48Å
837G38.5Very low38.1Very low20 Ų20105.9 Ų105.921%0.20668%0.675CS.*  trans-172.7103.1162.900000115.9G1419 D1420G837-G1419 CarbonylContact O-C 3.53Å; G837-G1419 WeakPolarHBondContact O-CA 3.14Å; G837-D1420 PolarHBondContact O-N 3.49Å; G837-D1420 VanDerWaalsContact O-N 3.1Å
838E33.1Very low38.1Very low112 Ų112102.7 Ų102.752%0.52367%0.665SS.*  trans-59.5171179.3-50.8164.2-175.800114K836K836-E838 WeakPolarHBondContact CE-OE1 3.37Å; K836-E838 IonicContact NZ-OE1 2.69Å; K836-E838 PolarHBondContact NZ-OE1 2.85Å
839R35Very low38.3Very low193 Ų193102.8 Ų102.873%0.72867%0.667SS**  cis174.6160.847.1172.4175.9-66.9-166.4-2.7110.7D1420R839-D1420 PolarHBondContact N-O 3.09Å
840G37.7Very low38.3Very low30 Ų30103.3 Ų103.331%0.30965%0.648SS.*  trans166.913.3149.200000126.7G1422 D1423G840-G1422 VanDerWaalsContact CA-O 3.27Å; G840-G1422 WeakPolarHBondContact CA-O 3.49Å; G840-G1422 PolarHBondContact N-O 2.95Å; G840-D1423 VanDerWaalsContact O-CB 3.28Å; G840-D1423 WeakPolarHBondContact O-CB 3.03Å; G840-D1423 PolarHBondContact O-N 2.94Å
841D36.7Very low38.3Very low141 Ų14199 Ų9975%0.75463%0.628SS**  trans-3.2129.5176-36.5-33.6000122.5
842S34.3Very low37.7Very low46 Ų4697 Ų9732%0.32261%0.607SS.*  trans141.6138.8166.148.50000114.5D1423 I1424 G1425S842-D1423 PolarHBondContact N-OD2 2.81Å; S842-D1423 WeakPolarHBondContact O-CB 3.44Å; S842-I1424 PolarHBondContact O-N 2.89Å; S842-I1424 PolarHBondContact OG-O 2.81Å; S842-I1424 VanDerWaalsContact OG-O 3.1Å; S842-G1425 PolarHBondContact OG-N 3.38Å
843G33.6Very low37.3Very low74 Ų7498.7 Ų98.776%0.76361%0.607SS**  cis-176.4-177.53.100000113.9
844L34.6Very low37.1Very low145 Ų145102 Ų10276%0.75961%0.609SS**  trans-93.1-176.1-173.4-68.2141.4000112.7
845P45.9Very low36.5Very low93 Ų93101.5 Ų101.560%0.60460%0.604SS**  -132.3-177.3-53.938.7-23.2000112.9
846G30.4Very low36.2Very low75 Ų75103.1 Ų103.177%0.77361%0.612SS**  trans-170.2140.4169.500000115.6
847I40.2Very low36Very low104 Ų104101.1 Ų101.153%0.53361%0.605SS.*  trans-152.5169.9-173.714167.8000108.9A149A149-I847 HydrophobicContact CB-CD1 4.12Å
848P43.4Very low36.2Very low111 Ų111102.4 Ų102.472%0.72162%0.619SS**  cis-132.6-174.9-10.835.4-15.2000114.5P152P152-P848 HydrophobicContact CG-CB 4.5Å
849G35.9Very low36.2Very low75 Ų75106 Ų10677%0.77364%0.635SS**  trans-166.2154.3170.100000111.8
850K30.6Very low36.2Very low121 Ų121104.2 Ų104.253%0.52663%0.633SS.*  trans-133.7158.1-153.2-79.6-144.2-175.5-174.50118.5P959 G960K850-P959 VanDerWaalsContact C-C 3.49Å; K850-P959 CarbonylContact C-O 3.47Å; K850-P959 VanDerWaalsContact C-O 3.29Å; K850-P959 CarbonylContact O-C 3.55Å; K850-G960 PolarHBondContact O-N 3.26Å
851E35.8Very low35.9Very low100 Ų100104.9 Ų104.947%0.46764%0.64SS.*  trans59.90141.7-75160.3176.200121.6R958 P959 G960E851-R958 VanDerWaalsContact CA-C 3.48Å; E851-P959 VanDerWaalsContact CA-CA 3.41Å; E851-P959 VanDerWaalsContact CA-CG 3.49Å; E851-P959 HydrophobicContact CB-CG 3.76Å; E851-P959 PolarHBondContact N-O 3.1Å; E851-P959 CarbonylContact O-C 3.59Å; E851-P959 WeakPolarHBondContact O-CA 3.44Å; E851-P959 WeakPolarHBondContact O-CB 3.47Å; E851-P959 WeakPolarHBondContact O-CD 3.38Å; E851-P959 WeakPolarHBondContact O-CG 3.48Å; E851-G960 WeakPolarHBondContact O-CA 3.44Å; E851-G960 PolarHBondContact O-N 2.82Å
852G38.8Very low36.3Very low22 Ų22107.3 Ų107.323%0.22764%0.639CS.*  0-163.8000000117.7R958 P959G852-R958 VanDerWaalsContact N-C 3.32Å; G852-R958 WeakPolarHBondContact O-CB 3.18Å; G852-P959 VanDerWaalsContact O-CA 3.27Å; G852-P959 WeakPolarHBondContact O-CA 3.32Å
853I27.6Very low36.6Very low170 Ų170111.1 Ų111.187%0.87266%0.663SS**  cis-131.9143.918.6-31.5173.5000111.7
854E38.4Very low36.7Very low192 Ų192110.8 Ų110.890%0.89766%0.66SS**  trans-76.6158.7174.4-65177.2110.200113.5
855G37.2Very low36.6Very low67 Ų67112.5 Ų112.569%0.69167%0.668SS**  cis-166.4127.9-2.900000112.3
856V31.5Very low36Very low125 Ų125117.9 Ų117.976%0.75868%0.682SS**  trans-137.9133.1178.1179.30000107.8
857Q37.5Very low36.7Very low108 Ų108117.2 Ų117.251%0.50568%0.675SS.*  trans-118.1127.9174.5-160.4-176.259.300110.8V953 G954Q857-V953 HydrophobicContact CG-CG1 4.29Å; Q857-V953 PolarHBondContact NE2-O 3.34Å; Q857-G954 PolarHBondContact NE2-O 3.35Å
858G42.9Very low36.2Very low47 Ų47120.3 Ų120.349%0.48569%0.693SS.*  trans-76.7169.2-17200000115.6
859Q31.3Very low36Very low186 Ų186119.9 Ų119.987%0.86970%0.698SS**  trans-96.5155.2-174.3-56.3-1750.800114.4
860K35.8Very low36.4Very low156 Ų156119.9 Ų119.968%0.67870%0.698SS**  trans70.8121.2138.7-160.7174.3-174.9-175.50119.3Y862K860-Y862 VanDerWaalsContact CE-OH 3.27Å; K860-Y862 WeakPolarHBondContact CE-OH 2.78Å; K860-Y862 PolarHBondContact NZ-OH 3.39Å
861G30.5Very low36.5Very low44 Ų44122.8 Ų122.845%0.45472%0.716SS.*  trans-157.1116.2151.400000109.8K952G861-K952 PolarHBondContact O-NZ 2.93Å
862Y46.1Very low36.5Very low192 Ų192124 Ų12475%0.75373%0.732SS**  trans-50.6153176.7-56.4-88.8000111.5K860K860-Y862 VanDerWaalsContact CE-OH 3.27Å; K860-Y862 WeakPolarHBondContact CE-OH 2.78Å; K860-Y862 PolarHBondContact NZ-OH 3.39Å
863P41.1Very low36.7Very low126 Ų126126.5 Ų126.582%0.81876%0.758SS**  -155.5-178.386.541.7-23.3000116.1
864G35.2Very low37Very low68 Ų68127.3 Ų127.370%0.70176%0.761SS**  trans101.770.3130.200000118.5K866G864-K866 PolarHBondContact O-N 3.06Å
865I32.6Very low37Very low180 Ų180121.9 Ų121.992%0.92374%0.742SS**  trans-40.4132.8154.140.5171000112.5
866K33.4Very low37.4Very low207 Ų207121.3 Ų121.390%0.974%0.736SS**  trans-108.6113173.2-177.5176.9178.5-179.70110G864G864-K866 PolarHBondContact O-N 3.06Å
867G44.6Very low37.5Very low60 Ų60119.2 Ų119.262%0.61972%0.72SS**PPolyproline II helixtrans-73.5172174.300000114.2
868D30.3Very low37.9Very low170 Ų170119.4 Ų119.491%0.90973%0.731SS**PPolyproline II helixtrans-70.8159.7-163.6-61.2-82.3000116.5
869A37.7Very low37.7Very low102 Ų102120.8 Ų120.884%0.84375%0.745SS**PPolyproline II helixtrans-77.3127.2177.600000112
870G44.5Very low37.8Very low74 Ų74120.5 Ų120.576%0.76375%0.748SS**PPolyproline II helixtrans-66.9161.2173.400000113.8
871M32.7Very low38.1Very low183 Ų183121.7 Ų121.790%0.90175%0.753SS**PPolyproline II helixtrans-72.6156.3-176.8-65.2-174.37300113.5
872P36.2Very low38.5Very low124 Ų124122.6 Ų122.681%0.80576%0.763SS**PPolyproline II helixtrans-72.5138.8-170.6-17.532000114.7
873G43.6Very low37.9Very low76 Ų76119.3 Ų119.378%0.78477%0.765SS**PPolyproline II helixtrans-78.6147.7162.900000112
874M33.2Very low37.9Very low186 Ų186119.2 Ų119.292%0.91676%0.756SS**PPolyproline II helixtrans-91.9154.9176.8-71.4-175.468.800112.2
875P39.4Very low38.1Very low79 Ų79119 Ų11951%0.51375%0.754SS.*PPolyproline II helixtrans-99.7160.3-162.731.7-21.7000115.3Q1237 G1238P875-Q1237 VanDerWaalsContact C-CG 3.42Å; P875-Q1237 HydrophobicContact CB-CG 3.96Å; P875-Q1237 HydrophobicContact CG-CG 3.83Å; P875-Q1237 WeakPolarHBondContact O-CG 3.38Å; P875-G1238 PolarHBondContact O-N 2.91Å
876G44.8Very low38.3Very low54 Ų54117.8 Ų117.856%0.55775%0.75SS**BIsolated β-bridgetrans-106.1151.6-175.700000115.2Q1237G876-Q1237 PolarHBondContact O-NE2 2.89Å
877L34.7Very low38.5Very low81 Ų81111.5 Ų111.542%0.42474%0.743SS.*PPolyproline II helixtrans-68160.7-173.2-87172.6000115Q1237 G1238L877-Q1237 HydrophobicContact CD2-CB 3.83Å; L877-Q1237 HydrophobicContact CG-CB 4.15Å; L877-Q1237 WeakPolarHBondContact CG-O 3.09Å; L877-G1238 WeakPolarHBondContact CB-O 3.31Å; L877-G1238 VanDerWaalsContact CD1-O 3.26Å; L877-G1238 WeakPolarHBondContact CD1-O 3.35Å; L877-G1238 WeakPolarHBondContact CG-O 3.17Å
878P44.2Very low38.1Very low113 Ų113112.1 Ų112.173%0.73475%0.749SS**PPolyproline II helixtrans-63.1142.3179.1-23.234000115.4
879G40.1Very low38.2Very low75 Ų75111.5 Ų111.577%0.77375%0.745SS**PPolyproline II helixtrans-74.8144.5165.600000113
880L33.1Very low38.4Very low180 Ų180111.9 Ų111.994%0.94274%0.739SS**  trans-44.9135.6-177-67.3153.6000116.1
881K42.8Very low38Very low182 Ų182112.1 Ų112.179%0.79174%0.742SS**  trans-81129.5160.2172.7-174175.3-178.50110
882G37.1Very low38.2Very low63 Ų63114.1 Ų114.165%0.64974%0.741SS**  trans168.4154.1160.700000113.1
883P34.1Very low38.4Very low122 Ų122119.3 Ų119.379%0.79274%0.744SS**  cis-81.3176.7-9.936.1-35.5000112
884I41.8Very low38.3Very low124 Ų124118.8 Ų118.864%0.63674%0.739SS**PPolyproline II helixtrans-76.7120.9151.6-72.3168.3000105.3
885G39.1Very low38.4Very low64 Ų64118.2 Ų118.266%0.6673%0.732SS**PPolyproline II helixtrans-68.5130.2160.300000107.8
886D36Very low38.5Very low155 Ų155119.6 Ų119.683%0.82974%0.741SS**PPolyproline II helixtrans-55.8150.4-173.6-73.7-65.9000112.8G888D886-G888 PolarHBondContact O-N 2.03Å
887G39Very low38Very low74 Ų74118.4 Ų118.476%0.76373%0.728SS**  trans-58.9109.1178.100000110.5L889G887-L889 PolarHBondContact O-N 3.35Å
888G35.9Very low38.3Very low73 Ų73124.9 Ų124.975%0.75375%0.747SS**PPolyproline II helixtrans-51.2128.5173.100000110.1D886D886-G888 PolarHBondContact O-N 2.03Å
889L31.9Very low38.2Very low157 Ų157124.7 Ų124.782%0.82274%0.739SS**PPolyproline II helixtrans-49.9141-176-74.8160.9000111.2G887 G891G887-L889 PolarHBondContact O-N 3.35Å; L889-G891 PolarHBondContact O-N 2.86Å
890P42.2Very low38.7Very low111 Ų111123.6 Ų123.672%0.72173%0.728SS**PPolyproline II helixtrans-49.9125.4179.6-28.935.3000112.1Y892P890-Y892 PolarHBondContact O-N 2.8Å
891G37.1Very low38.9Very low79 Ų79124.4 Ų124.481%0.81472%0.724SS**  trans-57.7114178.500000110.5L889 R893L889-G891 PolarHBondContact O-N 2.86Å; G891-R893 PolarHBondContact O-N 3.11Å
892Y36.7Very low38.7Very low225 Ų225120.4 Ų120.488%0.88273%0.725SS**PPolyproline II helixtrans-58.6123-176-84.8-87.7000111.5P890 G894P890-Y892 PolarHBondContact O-N 2.8Å; Y892-G894 PolarHBondContact O-N 2.97Å
893R39.7Very low38.9Very low232 Ų232120.3 Ų120.388%0.87572%0.724SS**PPolyproline II helixtrans-47.7124.4171.9-176-179.6-175.1176.42.4110.3G891 K895G891-R893 PolarHBondContact O-N 3.11Å; R893-K895 PolarHBondContact O-N 2.95Å
894G40.7Very low39.2Very low66 Ų66121.1 Ų121.168%0.6873%0.726SS**PPolyproline II helixtrans-56.1136.8172.400000111Y892Y892-G894 PolarHBondContact O-N 2.97Å
895K35.9Very low39.2Very low173 Ų173121.4 Ų121.475%0.75274%0.736SS**PPolyproline II helixtrans-73.1137.5176.6-63.7-175.9178.9-177.50109.4Y346 R893Y346-K895 VanDerWaalsContact CE2-O 3.28Å; Y346-K895 WeakPolarHBondContact CE2-O 3.2Å; Y346-K895 WeakPolarHBondContact OH-CB 3.07Å; R893-K895 PolarHBondContact O-N 2.95Å
896P41.6Very low39.3Very low109 Ų109121.7 Ų121.771%0.70874%0.739SS**PPolyproline II helixtrans-64.8153.7173-21.533.9000112.7Y346Y346-P896 WeakPolarHBondContact CE2-O 3.22Å; Y346-P896 VanDerWaalsContact CZ-O 3.3Å; Y346-P896 PolarHBondContact OH-O 3.41Å
897G34.8Very low39.3Very low28 Ų28121 Ų12129%0.28974%0.741SS.*PPolyproline II helixtrans-67171.2-179.600000114.4
898R40.8Very low39.3Very low217 Ų217123.6 Ų123.682%0.81974%0.743SS**  trans-14191.6171.9-125.9-169.8-173.6-140.61.2111.3
899I41.2Very low39.5Very low109 Ų109123.8 Ų123.856%0.55975%0.745SS**  trans26.4104.6134.7-49.2170.9000115.4D343 F901D343-I899 PolarHBondContact OD1-N 3.34Å; I899-F901 HydrophobicContact CG2-CD2 3.82Å; I899-F901 HydrophobicContact CG2-CE2 3.61Å
900G52.1Low39.4Very low53 Ų53125.3 Ų125.355%0.54675%0.748SS.*  trans-94.3173.7154.500000112.8E344E344-G900 PolarHBondContact O-N 3.2Å; E344-G900 VanDerWaalsContact O-N 3.11Å
901F36.1Very low39Very low197 Ų197129.9 Ų129.986%0.86476%0.757SS**  trans-146.5156.3168.9-94.6-70.7000113.3I899I899-F901 HydrophobicContact CG2-CD2 3.82Å; I899-F901 HydrophobicContact CG2-CE2 3.61Å
902A39.7Very low38.9Very low97 Ų97129.4 Ų129.480%0.80275%0.752SS**  trans-102.7-173.3-169.600000112.5
903G41.6Very low38.9Very low62 Ų62128.6 Ų128.664%0.63976%0.757SS**  cis-160.9-177.410.700000114.2
904V39.7Very low38.8Very low138 Ų138129.2 Ų129.284%0.83676%0.759SS**  72.9137.370.9179.20000111.2
905P41.8Very low38.7Very low130 Ų130129.4 Ų129.484%0.84476%0.761SS**  cis-123.2-173.815.120.85.3000114.9
906G40.5Very low38.6Very low70 Ų70127.4 Ų127.472%0.72276%0.763SS**  cis178167.1-5.500000116.4
907V36.1Very low38.6Very low142 Ų142129.1 Ų129.186%0.86177%0.766SS**  trans-33.6176.2167.1-77.90000120.6
908P40Very low38.8Very low127 Ų127131 Ų13183%0.82579%0.786SS**  cis-138176.7-2533-12.7000116.1
909G38.9Very low38.4Very low77 Ų77128.5 Ų128.579%0.79479%0.788SS**  trans-171.6148.5167.100000114.8
910Q30.9Very low38.3Very low189 Ų189129.1 Ų129.188%0.88380%0.799SS**  trans-113.2143.2-161.5-58.7-176.614.700118
911K32.5Very low37.8Very low207 Ų207130.1 Ų130.190%0.981%0.81SS**  trans66.8119.5132.6-171.2-179.3-179.4-177.60122.6
912G35.4Very low38.3Very low70 Ų70125.9 Ų125.972%0.72281%0.811SS**  trans145.6138.816100000111.1
913E36.2Very low38.6Very low207 Ų207127.2 Ų127.297%0.96781%0.812SS**  cis-129.6-124.51.4-64.4-159.8103.300114
914R38.6Very low38.4Very low246 Ų246127.7 Ų127.793%0.92882%0.816SS**  trans-139.2133.1-150.8178.1-161.6-61.6174.41.6113.5
915G38.6Very low38.3Very low70 Ų70129.1 Ų129.172%0.72282%0.818SS**  trans-177.4124.3166.300000114.3
916T34.1Very low38Very low130 Ų130128.7 Ų128.780%0.79881%0.814SS**  trans-36.5140.5165.242.50000114.9
917D41.1Very low37.7Very low145 Ų145128.9 Ų128.978%0.77582%0.816SS**  cis-136.4160.112.1-76.6-46.9000113.4
918G38.8Very low37.8Very low68 Ų68127.6 Ų127.670%0.70182%0.819SS**  trans-75.6125.2172.400000111.6
919L32.8Very low37.7Very low165 Ų165133.5 Ų133.586%0.86483%0.825SS**  73.614565.8-72.5171.2000113.9
920P39.6Very low37.7Very low121 Ų121133.1 Ų133.179%0.78682%0.822SS**  cis-135.4162.6-2.837.5-19.9000116.9
921G41.5Very low38Very low75 Ų75133.2 Ų133.277%0.77382%0.822SS**  95.888.812900000119.4
922A45.1Very low38.2Very low107 Ų107128.8 Ų128.888%0.88481%0.814SS**  trans-91.2134.9157.700000111.3
923P46Very low38.4Very low126 Ų126128.4 Ų128.482%0.81881%0.811SS**  trans-117.4133.4151.31.719.9000111.2
924G37.8Very low38.1Very low72 Ų72128 Ų12874%0.74281%0.806SS**  trans-88.7151.5-178.600000114.8
925L37.6Very low37.9Very low168 Ų168122.1 Ų122.188%0.8880%0.8SS**  trans40.384.5146.1-63.5170.8000118.2
926T35.2Very low37.6Very low121 Ų121122.1 Ų122.174%0.74280%0.8SS**  177.6150.798.830.80000113
927G33.9Very low37.4Very low74 Ų74123.9 Ų123.976%0.76380%0.801SS**  trans114.3109.1168.800000113.8R929G927-R929 PolarHBondContact O-N 2.61Å; G927-R929 VanDerWaalsContact O-N 3.13Å
928A39.5Very low37.1Very low114 Ų114123.7 Ų123.794%0.94280%0.8SS**  trans-76.696.116900000109.6
929R37.2Very low37Very low252 Ų252123.7 Ų123.795%0.95180%0.8SS**  trans-75.5134.8175.5177.8-178.4178.8-179.3-0.7110G927G927-R929 PolarHBondContact O-N 2.61Å; G927-R929 VanDerWaalsContact O-N 3.13Å
930G40.1Very low36.9Very low69 Ų69124.8 Ų124.871%0.71180%0.803SS**  cis174.4177.8-6.500000113
931E35.5Very low36.8Very low190 Ų190124 Ų12489%0.88880%0.798SS**  trans-93.9176.8163.8-67.9-170.8141.600110.4
932P37.8Very low36.7Very low114 Ų114123.9 Ų123.974%0.7480%0.796SS**  cis-111.3173.4-7.316.88.1000112
933G38.6Very low36.2Very low63 Ų63126.5 Ų126.565%0.64980%0.795SS**  cis79.1118.349.100000108.9
934F30.4Very low35.7Very low197 Ų197125.3 Ų125.386%0.86479%0.787SS**  cis-156.2-172.633.4-83.8-87.8000109
935P35.4Very low35.7Very low123 Ų123124 Ų12480%0.79977%0.773SS**  cis-119171.8-3.437.1-20.4000114
936G32.1Very low35.6Very low71 Ų71124.4 Ų124.473%0.73278%0.775SS**  trans-98.3171.4-17800000114.8
937M29.5Very low35.8Very low167 Ų167128.4 Ų128.482%0.82378%0.783SS**  trans-129.8139145.9-85.5-170.46900109.7
938D34.8Very low36.5Very low141 Ų141127.7 Ų127.775%0.75478%0.775SS**  trans26.4113.4146-53.2-35.5000120.2
939G37.4Very low36.2Very low67 Ų67129.1 Ų129.169%0.69178%0.775SS**  trans76.3125.3138.600000117.1P941G939-P941 WeakPolarHBondContact O-CD 3.34Å; G939-P941 VanDerWaalsContact O-N 3.16Å
940M30.4Very low36.6Very low188 Ų188122.1 Ų122.193%0.92677%0.771SS**  trans-57120.3162.4-64.8178.876.100109G942M940-G942 PolarHBondContact O-N 2.83Å
941P36.9Very low36.6Very low105 Ų105121.9 Ų121.968%0.68277%0.768SS**  trans-65.4106.4167.3-16.732.2000106.9G939 L943G939-P941 WeakPolarHBondContact O-CD 3.34Å; G939-P941 VanDerWaalsContact O-N 3.16Å; P941-L943 PolarHBondContact O-N 2.85Å
942G38.5Very low36.3Very low72 Ų72120.9 Ų120.974%0.74276%0.761SS**  trans-55.2125.5178.100000109.6M940 P944M940-G942 PolarHBondContact O-N 2.83Å; G942-P944 VanDerWaalsContact O-N 3.14Å
943L36.3Very low36Very low162 Ų162120.2 Ų120.285%0.84875%0.754SS**  trans-9.797.8-169.6-87168.8000114.5P941 G945P941-L943 PolarHBondContact O-N 2.85Å; L943-G945 PolarHBondContact O-N 2.88Å
944P35.8Very low35.7Very low102 Ų102119.5 Ų119.566%0.66275%0.747SS**  trans-50.2119169.4-27.535.7000109.4G942 L946G942-P944 VanDerWaalsContact O-N 3.14Å; P944-L946 PolarHBondContact O-N 3.45Å
945G37.6Very low35.7Very low43 Ų43117.2 Ų117.244%0.44374%0.739SS.*  trans-62.4137.6-17900000110.3L943 K947L943-G945 PolarHBondContact O-N 2.88Å; G945-K947 PolarHBondContact O-N 3.06Å
946L35.6Very low35.9Very low178 Ų178115.1 Ų115.193%0.93273%0.725SS**SBendtrans-69.371.6168.3-81.5171.9000110.9P944P944-L946 PolarHBondContact O-N 3.45Å
947K38.7Very low36.4Very low205 Ų205114.5 Ų114.589%0.89172%0.719SS**  trans-171.1111.8158.9-161.7172.4-171176.60108.1G945G945-K947 PolarHBondContact O-N 3.06Å
948G47.8Very low37Very low59 Ų59116.7 Ų116.761%0.60872%0.719SS**  cis168.2158.4-4.100000108.9A950G948-A950 PolarHBondContact O-N 3.3Å; G948-A950 VanDerWaalsContact O-N 3.16Å
949P34.1Very low37.2Very low144 Ų144114.5 Ų114.594%0.93571%0.712SS**  trans-71.9110.5-179.428.5-33.3000111.4
950A45.8Very low37.3Very low104 Ų104113.5 Ų113.586%0.8670%0.702SS**  trans-129.1129.6156.800000108G948G948-A950 PolarHBondContact O-N 3.3Å; G948-A950 VanDerWaalsContact O-N 3.16Å
951G39.1Very low37.7Very low64 Ų64112.6 Ų112.666%0.6670%0.7SS**  cis156.2179.4-5.600000111.9
952K30.7Very low37.7Very low170 Ų170113.7 Ų113.774%0.73971%0.707SS**  trans65.5156179.9-41.4-175.2-178.7-175.70113.5G861G861-K952 PolarHBondContact O-NZ 2.93Å
953V29.7Very low38.1Very low99 Ų99113.2 Ų113.260%0.670%0.702SS**  cis-132.9129.97.1-162.20000107.2Q857Q857-V953 HydrophobicContact CG-CG1 4.29Å; Q857-V953 PolarHBondContact NE2-O 3.34Å
954G33.1Very low38.4Very low48 Ų48111.7 Ų111.750%0.49570%0.702SS.*  89.2125.4109.900000112.8Q857Q857-G954 PolarHBondContact NE2-O 3.35Å
955E31.2Very low38.2Very low149 Ų149118 Ų11870%0.69671%0.712SS**  72.4142.586.3-79.7-157.2140.700115.5
956P39Very low38.1Very low79 Ų79118.4 Ų118.451%0.51372%0.717SS.*  cis-147.1134.8-28.736.2-16.6000116.9
957G41.9Very low37.7Very low59 Ų59116.7 Ų116.761%0.60871%0.708SS**  69.2145.1122.600000123.1
958R43.7Very low37.3Very low213 Ų213114.3 Ų114.380%0.80471%0.711SS**  trans71.1171.1171.8-56.8176.9-177-98.9-3.7112.6E851 G852E851-R958 VanDerWaalsContact CA-C 3.48Å; G852-R958 VanDerWaalsContact N-C 3.32Å; G852-R958 WeakPolarHBondContact O-CB 3.18Å
959P38.6Very low36.7Very low95 Ų95114.2 Ų114.262%0.61771%0.71SS**  cis-66.3-154.8203-2.6000114.6K850 E851 G852K850-P959 VanDerWaalsContact C-C 3.49Å; K850-P959 CarbonylContact C-O 3.47Å; K850-P959 VanDerWaalsContact C-O 3.29Å; K850-P959 CarbonylContact O-C 3.55Å; E851-P959 VanDerWaalsContact CA-CA 3.41Å; E851-P959 VanDerWaalsContact CA-CG 3.49Å; E851-P959 HydrophobicContact CB-CG 3.76Å; E851-P959 PolarHBondContact N-O 3.1Å; E851-P959 CarbonylContact O-C 3.59Å; E851-P959 WeakPolarHBondContact O-CA 3.44Å; E851-P959 WeakPolarHBondContact O-CB 3.47Å; E851-P959 WeakPolarHBondContact O-CD 3.38Å; E851-P959 WeakPolarHBondContact O-CG 3.48Å; G852-P959 VanDerWaalsContact O-CA 3.27Å; G852-P959 WeakPolarHBondContact O-CA 3.32Å
960G38.4Very low36.4Very low46 Ų46115.7 Ų115.747%0.47470%0.702SS.*  cis-162.2-62.810.200000118.9K850 E851K850-G960 PolarHBondContact O-N 3.26Å; E851-G960 WeakPolarHBondContact O-CA 3.44Å; E851-G960 PolarHBondContact O-N 2.82Å
961L39.1Very low35.7Very low168 Ų168113.8 Ų113.888%0.8869%0.686SS**  trans86.1153.4-162.6-57.9165.2000114.6
962P37.6Very low35.5Very low129 Ų129112.8 Ų112.884%0.83868%0.676SS**  -121.1156.687.2-324.2000116.1
963G47.4Very low36.1Very low62 Ų62114 Ų11464%0.63968%0.682SS**  trans-95-155.1152.300000110.9
964P41.8Very low36.3Very low130 Ų130115.5 Ų115.584%0.84469%0.693SS**  cis-141-15613.644.7-25.7000114.8
965R32.4Very low36.1Very low234 Ų234116 Ų11688%0.88370%0.698SS**  trans87127.3174.2-139174.5-170.61633.6113.3
966G34.1Very low36.2Very low52 Ų52115.6 Ų115.654%0.53671%0.706SS.*  cis102.2127.323.700000108.8
967D27.3Very low35.8Very low141 Ų141119.4 Ų119.475%0.75472%0.722SS**  cis-155.2173.28.9-59.6-69.9000110.1
968V30.1Very low35.9Very low155 Ų155120 Ų12094%0.93973%0.728SS**  trans70144.6165-176.30000116
969G36.5Very low35.6Very low58 Ų58118.4 Ų118.460%0.59873%0.734SS**  cis-165.5-1695.800000114.6
970F27.3Very low35.6Very low175 Ų175121.6 Ų121.677%0.76875%0.745SS**  trans-88.6160.3-163.5-94.7-105.2000117P1436 P1438F970-P1436 CarbonylContact O-C 3.56Å; F970-P1436 WeakPolarHBondContact O-CG 3.23Å; F970-P1438 HydrophobicContact CB-CB 4.47Å
971A31.5Very low35.2Very low63 Ų63122.4 Ų122.452%0.52175%0.753SS.*  trans-21.5159.4168.900000120G1437 P1438A971-G1437 CarbonylContact O-C 3.5Å; A971-G1437 WeakPolarHBondContact O-CA 3.23Å; A971-G1437 PolarHBondContact O-N 2.97Å; A971-G1437 VanDerWaalsContact O-O 3.13Å; A971-P1438 WeakPolarHBondContact O-CA 3.33Å; A971-P1438 VanDerWaalsContact O-CB 3.23Å; A971-P1438 WeakPolarHBondContact O-CB 3.33Å
972G34.5Very low35.4Very low44 Ų44123.5 Ų123.545%0.45475%0.753SS.*  trans-164.6132.5166.200000116.9G1437G972-G1437 WeakPolarHBondContact CA-O 3.23Å
973K42.4Very low35Very low196 Ų196123.2 Ų123.285%0.85275%0.754SS**  trans-129.2146.1164.3-61.5178.6-178.4177.30104.9
974P33.9Very low34.5Very low129 Ų129124.1 Ų124.184%0.83876%0.764SS**  -121.5-171.453.47.817.8000112.2
975G30Very low34.2Very low59 Ų59126 Ų12661%0.60877%0.766SS**  cis115.9121100000112.6
976V33Very low34.6Very low140 Ų140120.7 Ų120.785%0.84876%0.762SS**  trans55.2160.1-173.3-92.20000114.7
977D30.5Very low34.4Very low159 Ų159121.6 Ų121.685%0.8577%0.771SS**  cis-123-1768.4-88.4-60.9000112.2
978G44Very low34.6Very low72 Ų72122.2 Ų122.274%0.74277%0.773SS**  trans152.823.1167.900000118.4I980G978-I980 PolarHBondContact O-N 2.87Å
979L37.4Very low34.6Very low179 Ų179122.6 Ų122.694%0.93777%0.768SS**  trans-69.8108.5173.3-84.3169000111.8
980I39.1Very low34.5Very low163 Ų163122.9 Ų122.984%0.83677%0.77SS**  trans-144.9124.1148.3-91.6148000102.7G978G978-I980 PolarHBondContact O-N 2.87Å
981G30.6Very low34.8Very low62 Ų62122 Ų12264%0.63977%0.773SS**  78.2122.678.600000108.2
982E41.3Very low34.9Very low191 Ų191128.4 Ų128.489%0.89379%0.789SS**  cis-136.7144.539.4-73.3166.9155.100115.2
983S29.5Very low34.7Very low123 Ų123129.4 Ų129.486%0.8680%0.799SS**  trans-52.7142.9159.245.60000113.7
984G36.8Very low34.1Very low81 Ų81128.5 Ų128.584%0.83580%0.802SS**  trans-163.738.1-177.700000117.7
985L35.8Very low34.1Very low170 Ų170128.7 Ų128.789%0.8980%0.804SS**  trans-82.5161161.1-72.1164.3000109.6
986P40.6Very low34.2Very low123 Ų123129.6 Ų129.680%0.79981%0.814SS**  cis-129.4-174.6-31.139.4-23.9000111.4
987G31Very low34Very low71 Ų71128 Ų12873%0.73282%0.815SS**  trans154.9122.615800000120.3
988I30.1Very low34.3Very low154 Ų154125.2 Ų125.279%0.7981%0.814SS**  trans-18.5138.4152.143.4167000120.7
989I32Very low34.1Very low163 Ų163125.2 Ų125.284%0.83681%0.814SS**  trans62130.7142.9-54.4165.5000117.8
990G33.9Very low33.9Very low63 Ų63125.1 Ų125.165%0.64981%0.814SS**  cis149.297.8-2.800000113.6
991L33.8Very low34.1Very low157 Ų157123.3 Ų123.382%0.82281%0.813SS**  trans-140138.4173-69.4175.2000108
992K32.2Very low34.7Very low198 Ų198123.7 Ų123.786%0.86182%0.816SS**  68107.153.7-173.6-167.6178.5-173.30111.7
993G31.6Very low34.2Very low64 Ų64119.3 Ų119.366%0.6681%0.812SS**  cis156.8147.3-7.100000112.4
994L28.3Very low34.9Very low177 Ų177119 Ų11993%0.92781%0.808SS**  trans65.4165.5-175.4-51.6170.3000114.7
995P34.7Very low35.3Very low133 Ų133118.1 Ų118.186%0.86480%0.798SS**  cis-111.1-161.5-19.533.6-15.8000111.2
996G31.9Very low35.1Very low79 Ų79120.3 Ų120.381%0.81480%0.801SS**  trans-149.7-177.1-17800000115.6
997A29.4Very low34.9Very low107 Ų107124 Ų12488%0.88481%0.808SS**  trans-155.5154.7174.700000109.1
998A36.8Very low35.4Very low99 Ų99123.9 Ų123.982%0.81881%0.806SS**  cis-132.9159.5-5.800000109.8
999G39.6Very low35.6Very low73 Ų73125 Ų12575%0.75381%0.813SS**PPolyproline II helixtrans-76.7151.9-176.800000114.2
1000L33.5Very low35.9Very low177 Ų177123 Ų12393%0.92781%0.81SS**PPolyproline II helixtrans-69.6125.7162.1-76.3168.3000108.8
1001P43Very low36.1Very low125 Ų125123.7 Ų123.781%0.81282%0.817SS**PPolyproline II helixtrans-62.4151.9-178.3-25.835.9000114.1
1002G42.5Very low36.1Very low69 Ų69125.7 Ų125.771%0.71182%0.822SS**PPolyproline II helixtrans-67.3165.9179.100000114.3P1004G1002-P1004 WeakPolarHBondContact O-CD 3.41Å
1003A32.3Very low36.1Very low99 Ų99124.3 Ų124.382%0.81882%0.816SS**PPolyproline II helixtrans-61.6127.9-175.300000113G1005A1003-G1005 PolarHBondContact O-N 3.37Å
1004P42.4Very low36.3Very low117 Ų117124.4 Ų124.476%0.7682%0.817SS**PPolyproline II helixtrans-58.2133.9166.7-24.635.5000111.3G1002G1002-P1004 WeakPolarHBondContact O-CD 3.41Å
1005G45.7Very low36.4Very low62 Ų62122.6 Ų122.664%0.63980%0.804SS**PPolyproline II helixtrans-73.3162-169.900000115.3A1003 Q1007A1003-G1005 PolarHBondContact O-N 3.37Å; G1005-Q1007 PolarHBondContact O-N 3.03Å
1006K32.7Very low36.2Very low217 Ų217123.1 Ų123.194%0.94380%0.795SS**PPolyproline II helixtrans-72.2119.3172.6-65.4179.5-179.5178.50111.2
1007Q35.2Very low36.3Very low201 Ų201124.1 Ų124.194%0.93978%0.782SS**  trans-162132.5162.4-151.8173.11400107.7G1005G1005-Q1007 PolarHBondContact O-N 3.03Å
1008G41.1Very low36.4Very low68 Ų68124.7 Ų124.770%0.70177%0.766SS**  cis-165.5164-11.900000108.1
1009L35Very low36.7Very low178 Ų178121.7 Ų121.793%0.93274%0.738SS**  trans-73.4151.8171.9-80.5172.8000110.5
1010P39.3Very low36.7Very low121 Ų121119 Ų11979%0.78671%0.71SS**  trans-84.4163.4-147.932.6-38.1000115.4
1011G36.8Very low36.7Very low76 Ų76119.7 Ų119.778%0.78471%0.706SS**  trans-132.2150.4160.500000109.9
1012E33.9Very low36.4Very low200 Ų200125.4 Ų125.494%0.93571%0.712SS**  trans-89.1147.6-173.1-65.4-171.7104.600114.4
1013K32.1Very low36.1Very low169 Ų169124.9 Ų124.974%0.73571%0.706SS**  trans18.7119.1153.7-164.9-167.2175.8-152.10120.7E1015K1013-E1015 WeakPolarHBondContact CE-OE1 3.42Å; K1013-E1015 IonicContact NZ-OE1 3.18Å; K1013-E1015 PolarHBondContact NZ-OE1 3.22Å
1014G35.8Very low36.1Very low66 Ų66128.5 Ų128.568%0.6871%0.711SS**  -125.2149.7128.700000107.7
1015E30.6Very low35.6Very low138 Ų138132.5 Ų132.565%0.64572%0.716SS**  cis55.5124.339.5-76.5172.3-158.300113.2K1013K1013-E1015 WeakPolarHBondContact CE-OE1 3.42Å; K1013-E1015 IonicContact NZ-OE1 3.18Å; K1013-E1015 PolarHBondContact NZ-OE1 3.22Å
1016Q30.6Very low35.2Very low145 Ų145133.1 Ų133.168%0.67872%0.723SS**  cis-147.8-163-10.8-145.2160.5-14.700108.6
1017N34Very low35.4Very low100 Ų100127.4 Ų127.454%0.53572%0.716SS.*  trans-176.292.2157.6-112.1-96.6000111.6R387 D390 P1019R387-N1017 PolarHBondContact NH2-O 3.03Å; D390-N1017 VanDerWaalsContact OD2-CA 3.23Å; D390-N1017 WeakPolarHBondContact OD2-CA 3.39Å; D390-N1017 PolarHBondContact OD2-N 3.13Å; N1017-P1019 WeakPolarHBondContact O-CG 3.05Å
1018E31.3Very low35.9Very low119 Ų119124.1 Ų124.156%0.55671%0.712SS**  trans-60.1139.4135.3-59.4-171.4111.200109.1G388 K389 D390G388-E1018 CarbonylContact O-C 3.45Å; G388-E1018 WeakPolarHBondContact O-CB 3.37Å; K389-E1018 CarbonylContact C-O 3.48Å; K389-E1018 WeakPolarHBondContact CA-O 3.4Å; D390-E1018 HydrophobicContact CB-CB 4.45Å; D390-E1018 VanDerWaalsContact N-C 3.32Å; D390-E1018 PolarHBondContact N-O 2.91Å; D390-E1018 WeakPolarHBondContact OD1-CA 3.05Å; D390-E1018 WeakPolarHBondContact OD1-CB 3.02Å; D390-E1018 PolarHBondContact OD1-N 3.34Å
1019P44.1Very low35.5Very low35 Ų35124.7 Ų124.723%0.22772%0.718CS.*  trans-138.631-134.219.19.2000119.7R387 G388 N1017R387-P1019 HydrophobicContact CB-CB 3.76Å; R387-P1019 HydrophobicContact CB-CG 3.49Å; R387-P1019 VanDerWaalsContact CB-CG 3.49Å; R387-P1019 HydrophobicContact CG-CB 4.03Å; R387-P1019 HydrophobicContact CG-CG 3.57Å; G388-P1019 VanDerWaalsContact C-CD 3.43Å; G388-P1019 WeakPolarHBondContact O-CD 3.42Å; N1017-P1019 WeakPolarHBondContact O-CG 3.05Å
1020G37.9Very low35.4Very low17 Ų17125.3 Ų125.318%0.17572%0.716CS.*  trans-172.1140172.300000120.6G388 K389G388-G1020 CarbonylContact C-O 3.51Å; G388-G1020 WeakPolarHBondContact CA-O 3.04Å; K389-G1020 VanDerWaalsContact CA-N 3.31Å; K389-G1020 WeakPolarHBondContact CB-O 3.44Å; K389-G1020 PolarHBondContact N-O 2.96Å
1021F34.7Very low35.6Very low192 Ų192125.6 Ų125.684%0.84272%0.718SS**  trans-160.6152.3146.8-119.3-66.7000108.2
1022R37Very low35.6Very low244 Ų244125.1 Ų125.192%0.92171%0.713SS**  trans-155.7143.9-166178.6-172.2-172.2-167.54.2107.4
1023G35.4Very low35.5Very low58 Ų58121.5 Ų121.560%0.59871%0.71SS**  cis-172.5-139.31.100000109.1
1024L32.7Very low35.6Very low175 Ų175118.6 Ų118.692%0.91672%0.718SS**  trans78.8146.1-175.1-54.3170.5000114.3
1025K31.6Very low35.3Very low201 Ų201120.6 Ų120.687%0.87473%0.727SS**  cis-167145-18.1168.1-177.6177.5-172.30108.8
1026G37.3Very low35.5Very low76 Ų76119.1 Ų119.178%0.78474%0.739SS**  trans111.8146.2152.800000117.8
1027A36.5Very low35.7Very low96 Ų96124.1 Ų124.179%0.79375%0.752SS**  trans-152.2-178.3167.500000106.1
1028P45.6Very low36.4Very low133 Ų133122.6 Ų122.686%0.86476%0.76SS**  cis-119.7-176.3-24.939-24.9000111.6
1029G33.2Very low36.6Very low80 Ų80123.1 Ų123.183%0.82577%0.773SS**  trans158.9122.6161.700000117.5
1030E33Very low36.4Very low190 Ų190129.3 Ų129.389%0.88880%0.804SS**  trans-100.4-179.3152-68.3-170.9143.500108.6
1031P44.3Very low36.8Very low127 Ų127132 Ų13283%0.82583%0.833SS**  cis-124.6-171.9-48.134.3-18.2000111.1
1032G35.5Very low37.1Very low66 Ų66128.8 Ų128.868%0.6883%0.831SS**  trans15573.1167.200000114.5
1033S31.8Very low36.8Very low124 Ų124123.6 Ų123.687%0.86783%0.826SS**  75.596.476.578.40000115.2
1034A34.5Very low36.9Very low109 Ų109124.1 Ų124.190%0.90183%0.832SS**  trans-143.5129.3156.500000108.5
1035A30.8Very low37.2Very low107 Ų107121.3 Ų121.388%0.88482%0.824SS**  trans-116.6140.2-178.900000110.7
1036A33.9Very low37.2Very low108 Ų108118.4 Ų118.489%0.89382%0.823SS**  trans-152.9149.6166.500000109.9
1037R33.5Very low37.2Very low250 Ų250118.5 Ų118.594%0.94382%0.824SS**  trans-142.5126.4-176.7173.1-170.1172.7-149.2-2.5109.6
1038G48.7Very low37.2Very low68 Ų68123.4 Ų123.470%0.70183%0.828SS**  trans75175.7179.100000114
1039P36.4Very low36.5Very low129 Ų129121.9 Ų121.984%0.83883%0.826SS**  cis-117.2-174.512.741.6-30.5000115.1
1040D39Very low36.7Very low165 Ų165121.9 Ų121.988%0.88283%0.826SS**  trans-101161.1-171.3-55.3-85.4000115.9
1041G48.4Very low36.8Very low75 Ų75119.6 Ų119.677%0.77383%0.825SS**  trans90167.3156.400000117.6
1042P39.1Very low36.4Very low123 Ų123123.1 Ų123.180%0.79983%0.831SS**  cis-129.7167.211.341.6-26.7000117.5
1043V32.1Very low36.3Very low135 Ų135123.1 Ų123.182%0.81883%0.83SS**  trans10.7121.8142.6-172.30000116.9
1044G37.7Very low36.9Very low70 Ų70122.3 Ų122.372%0.72282%0.822SS**  108.1-172.164.200000109.9
1045P38.8Very low36.7Very low115 Ų115125.2 Ų125.275%0.74782%0.817SS**  cis-134-175.5-11.644.6-28.7000114.1
1046V30.5Very low37.2Very low140 Ų140123.5 Ų123.585%0.84881%0.81SS**  trans53.4125.2154.8173.10000120.8
1047G38.5Very low37.1Very low78 Ų78124.5 Ų124.580%0.80480%0.804SS**  trans-160.752.1165.400000112.4
1048F36.1Very low37.1Very low200 Ų200121.5 Ų121.588%0.87780%0.801SS**  trans-88.5167.3177.9-90.4-81.1000112.4
1049A30Very low36.7Very low101 Ų101121.2 Ų121.284%0.83580%0.797SS**  trans75.6150.8-172.600000114.1
1050G38.1Very low36.6Very low79 Ų79123 Ų12381%0.81480%0.798SS**  cis-106.8133.96.500000116
1051T34.2Very low36.5Very low142 Ų142125 Ų12587%0.87180%0.799SS**  trans-82119.8157.646.90000110.4
1052Q37.8Very low35.9Very low202 Ų202124.1 Ų124.194%0.94479%0.79SS**  trans-140.8149.6151.3-79.9-171.6-19.400107.5
1053G32Very low35.6Very low65 Ų65127.8 Ų127.867%0.6780%0.796SS**  cis159.5130.80.200000108.2
1054P45.6Very low35.8Very low108 Ų108130.7 Ų130.770%0.70180%0.803SS**  trans-91.1176.4-16837.4-38.1000114.2
1055H29.4Very low35.7Very low170 Ų170130 Ų13079%0.78780%0.796SS**  trans77.8157.4173.1-46.3-22.2000115.4V1057H1055-V1057 HydrophobicContact CB-CG2 4.36Å
1056G40.9Very low35.5Very low71 Ų71132.2 Ų132.273%0.73280%0.802SS**  cis-86.2159.9-12.700000112.3
1057V32.6Very low35.7Very low128 Ų128131.3 Ų131.378%0.77680%0.802SS**  cis68.3139.727.7-159.40000114H1055H1055-V1057 HydrophobicContact CB-CG2 4.36Å
1058Q33.7Very low35.5Very low188 Ų188135.5 Ų135.588%0.87981%0.805SS**  trans88.1128.1167.7-149.3168.218.300117.1
1059G40Very low35.7Very low61 Ų61132.1 Ų132.163%0.62980%0.803SS**  cis-173.7141.8-6.900000118.3
1060I35.1Very low36Very low166 Ų166131 Ų13185%0.85180%0.801SS**  trans23.7120.713448.5162.8000120.8
1061K36.4Very low36.2Very low209 Ų209135.5 Ų135.591%0.90981%0.806SS**  -161.1141.4125.4-163.2172.8-177.3178.90109.7
1062G35.8Very low36.6Very low56 Ų56135 Ų13558%0.57781%0.805SS**  cis153.499.4-9.300000112.9
1063E32.1Very low36.5Very low200 Ų200129.1 Ų129.194%0.93580%0.799SS**  trans59.2131.6149.3-60.1176.1147.500122.5
1064M35.8Very low36.8Very low195 Ų195130.4 Ų130.496%0.96180%0.803SS**  158.7137127.5-172.4172.871.400109.7
1065G36.7Very low36.6Very low56 Ų56133.4 Ų133.458%0.57781%0.813SS**  cis177.6136.7-900000112.4
1066D34.6Very low36.9Very low161 Ų161129.2 Ų129.286%0.86182%0.816SS**  trans53.9141.6149.7-54.7-35.6000125.9
1067S35.3Very low37.1Very low121 Ų121134.7 Ų134.785%0.84682%0.822SS**  trans104.9135.1136.674.50000122
1068L32.5Very low37.8Very low167 Ų167134.3 Ų134.387%0.87482%0.822SS**  trans-106.5-178.3173.8-71.6159.5000108.6
1069P41.1Very low37.7Very low128 Ų128129 Ų12983%0.83182%0.818SS**  cis-128.4176.7-31.331.7-13.7000112.6
1070G37Very low38.1Very low78 Ų78135.1 Ų135.180%0.80483%0.831SS**  trans178.1131.6165.200000118.2
1071L41.6Very low38.5Very low174 Ų174133.2 Ų133.291%0.91183%0.829SS**  trans-128.5161.9160.5-75.5168.4000106.8
1072P41.7Very low38.5Very low132 Ų132126.6 Ų126.686%0.85782%0.82SS**  cis-128.3-177.7-13.340.4-24.9000113.1
1073G37.3Very low39.1Very low78 Ų78134.1 Ų134.180%0.80484%0.837SS**  trans168.9151.216800000112.5
1074A37.4Very low39.5Very low91 Ų91130.9 Ų130.975%0.75283%0.833SS**  trans-136.7153.1-170.800000115.2
1075D41.5Very low39.4Very low171 Ų171124.9 Ų124.991%0.91482%0.821SS**  trans63.4136159.8-56.9-18000121.5
1076G34.8Very low39.9Very low82 Ų82128.4 Ų128.485%0.84583%0.834SS**  trans166.672.717600000116.7
1077E45.6Very low39.8Very low187 Ų187127.8 Ų127.887%0.87483%0.826SS**  trans-87.9169.9158.4-93.4-155.3145.600111
1078P46.7Very low40.1Very low120 Ų120125.8 Ų125.878%0.77983%0.825SS**  cis-132.9-174-16.232.9-12.7000113.3
1079G32.7Very low39.9Very low77 Ų77126 Ų12679%0.79482%0.819SS**  trans-17499.1168.200000118.5
1080Q48.6Very low39.5Very low189 Ų189131.4 Ų131.488%0.88382%0.822SS**  trans-106.8164151-75.9-170.45.200108
1081P43.1Very low39.6Very low126 Ų126131.4 Ų131.482%0.81882%0.822SS**  cis-142.6-169.522.243.9-24.9000116
1082G37.2Very low39.6Very low70 Ų70132.4 Ų132.472%0.72282%0.819SS**  trans-172.287.9165.300000115.7
1083F48Very low39.6Very low214 Ų214132 Ų13294%0.93982%0.817SS**  trans-124.4115.2164.6-88.2-74.6000109.3
1084P39.4Very low39.3Very low131 Ų131131.4 Ų131.485%0.85181%0.81SS**  -142.2174.811936.4-21.5000111.6
1085G34.9Very low39Very low69 Ų69135.8 Ų135.871%0.71182%0.816SS**  cis-165.1-176.83.600000111.3
1086P47.6Very low38.7Very low131 Ų131135 Ų13585%0.85181%0.808SS**  trans-111.4178-154.241.4-37000117.1
1087E31.6Very low38.7Very low147 Ų147134 Ų13469%0.68780%0.798SS**  trans108.3132153.1-163.8155.2-141.100118.2K1089E1087-K1089 HydrophobicContact CG-CG 4.47Å; E1087-K1089 WeakPolarHBondContact OE1-CD 3.09Å; E1087-K1089 WeakPolarHBondContact OE1-CE 3.24Å; E1087-K1089 IonicContact OE1-NZ 2.67Å; E1087-K1089 PolarHBondContact OE1-NZ 2.97Å
1088G41Very low38Very low79 Ų79132 Ų13281%0.81479%0.793SS**  trans179.849.3-173.800000111.9
1089K30.1Very low37.6Very low172 Ų172138.1 Ų138.175%0.74880%0.801SS**  trans-78.8134.3-176.2-64.4168.2179.9149.90112.1E1087E1087-K1089 HydrophobicContact CG-CG 4.47Å; E1087-K1089 WeakPolarHBondContact OE1-CD 3.09Å; E1087-K1089 WeakPolarHBondContact OE1-CE 3.24Å; E1087-K1089 IonicContact OE1-NZ 2.67Å; E1087-K1089 PolarHBondContact OE1-NZ 2.97Å
1090R31.3Very low38.2Very low242 Ų242137.8 Ų137.891%0.91380%0.798SS**  161.9131.9123.5-176.3171.2-65.2-143.70.1111.3
1091G38.7Very low37.3Very low77 Ų77133.4 Ų133.479%0.79479%0.793SS**  trans-1663.2-179.100000116.8
1092F42.5Very low37Very low195 Ų195136.7 Ų136.786%0.85580%0.798SS**  trans-101.9149.9158.2-64.9-83.6000106.8
1093P41.1Very low37Very low124 Ų124136.2 Ų136.281%0.80579%0.793SS**  cis-125.3-175.229.637-19.1000114.1
1094G31.8Very low36.1Very low65 Ų65135.6 Ų135.667%0.6779%0.79SS**  cis134.7172.8-6.200000114.1
1095Q30.4Very low36.4Very low184 Ų184135.3 Ų135.386%0.8679%0.789SS**  trans68.8162.6170.6-60.1175.2-2.400116.1
1096M35.2Very low36.3Very low153 Ų153135.1 Ų135.175%0.75479%0.787SS**  cis-138.4150.50.4-136.2160.570.400107.8
1097G35.1Very low35.4Very low62 Ų62138 Ų13864%0.63979%0.788SS**  92.1138.573.900000110.5
1098D31.7Very low35.3Very low144 Ų144139.7 Ų139.777%0.7780%0.797SS**  cis-162.3179.93.7-80-55.1000110.8
1099R37.5Very low34.8Very low250 Ų250139.1 Ų139.194%0.94379%0.79SS**  trans121.3122.6133.4-157.9171.4-167.1156.53.3117.3
1100G46.5Very low34.6Very low70 Ų70137.5 Ų137.572%0.72279%0.794SS**  trans94.275.4176.300000113.4
1101A28.6Very low34.7Very low96 Ų96134.3 Ų134.379%0.79379%0.79SS**  cis76.2137.122.700000116.5
1102Q37.8Very low34.4Very low195 Ų195133.5 Ų133.591%0.91178%0.781SS**  trans72128.9170.8-161.9171.81.200116.2
1103G37.1Very low33.8Very low60 Ų60128.7 Ų128.762%0.61977%0.772SS**  cis-157.3155.5-4.500000110.3
1104F29.3Very low33.4Very low201 Ų201131.9 Ų131.988%0.88277%0.774SS**  92.9152.660.3-80.6-52000113.6
1105P45.3Very low33.7Very low126 Ų126132 Ų13282%0.81878%0.775SS**  -130.4-172.2-127.444.2-28.4000115.8
1106G32.2Very low34.1Very low65 Ų65130.9 Ų130.967%0.6777%0.774SS**  trans137.2116.8174.600000109.2
1107E28.9Very low34.3Very low190 Ų190134.9 Ų134.989%0.88878%0.78SS**  92.5172.461.5-79.7-143.5119.400113.5
1108Q30.3Very low34.9Very low184 Ų184135 Ų13586%0.8678%0.782SS**  trans-53.6153.1-160.7-60.8170.6-26.500115.2
1109G30Very low35.3Very low66 Ų66132 Ų13268%0.6878%0.777SS**  cis152.9-155.70.100000112.1
1110V25.4Very low35.2Very low138 Ų138128.2 Ų128.284%0.83678%0.775SS**  trans62.7138.3169.6-129.90000119
1111Q32.7Very low34.9Very low176 Ų176128.5 Ų128.582%0.82278%0.778SS**  trans62.4118.9148.9-164.7163.3-7.900119.9
1112G32.8Very low35.4Very low59 Ų59132.1 Ų132.161%0.60878%0.783SS**  trans-97.1-146.1164.400000112.8
1113S30.2Very low35.8Very low94 Ų94128.7 Ų128.766%0.65778%0.778SS**  trans71.2151.3-176.181.70000114.7
1114F32.6Very low35.5Very low192 Ų192129.5 Ų129.584%0.84279%0.786SS**  cis-120.5161.4-7-82.1-99.7000108.9
1115G37.9Very low35.3Very low67 Ų67127.9 Ų127.969%0.69179%0.786SS**  cis-169.1-173.6-2.100000106.5
1116L38.1Very low35.3Very low160 Ų160127.9 Ų127.984%0.83879%0.786SS**  cis-159.3161.518.2-80.9169.5000105.5
1117R40.4Very low35.4Very low238 Ų238128.3 Ų128.390%0.89879%0.791SS**  cis-173.2147.1-3.9162.1-174.6-170.1179.74.8107.4
1118G47.3Very low35.5Very low65 Ų65128 Ų12867%0.6778%0.781SS**  trans107.399.6-178.400000110.1
1119A40.9Very low36Very low81 Ų81126.3 Ų126.367%0.66977%0.771SS**  74.2108.870.600000110.8
1120D34.6Very low36.2Very low169 Ų169126.6 Ų126.690%0.90477%0.774SS**  73.6126.187.4-55.2-39.6000111.8
1121G40.5Very low36.6Very low76 Ų76126.7 Ų126.778%0.78477%0.765SS**  cis177.9-179-2.300000112.6
1122L38.2Very low37Very low172 Ų172121.8 Ų121.890%0.90175%0.754SS**  trans-75.5164159.5-68.7163000109.5
1123P47.4Very low37.2Very low123 Ų123122.5 Ų122.580%0.79976%0.762SS**  cis-126.5162-35.936.8-23.2000112.1
1124G31.3Very low37Very low77 Ų77123.5 Ų123.579%0.79476%0.764SS**  trans-116.5116177.800000113.6
1125L25.2Very low37.8Very low167 Ų167118.7 Ų118.787%0.87475%0.752SS**  trans-68.9154.4169.4-76162.5000111.4G1127L1125-G1127 PolarHBondContact O-N 3Å
1126P44.2Very low37.7Very low127 Ų127118.9 Ų118.983%0.82575%0.754SS**  trans-63.887.1171.5-23.735.6000113.7
1127G34.7Very low37.4Very low74 Ų74117.5 Ų117.576%0.76375%0.747SS**  trans-69140.4164.800000111.4L1125L1125-G1127 PolarHBondContact O-N 3Å
1128R30.4Very low37.3Very low182 Ų182111.9 Ų111.969%0.68774%0.741SS**  trans-84156.6-179.4-74.4176168.9-178.7-0.1113E703E703-R1128 VanDerWaalsContact O-CZ 3.29Å; E703-R1128 PolarHBondContact O-NH1 3.1Å; E703-R1128 PolarHBondContact O-NH2 3.27Å
1129K41.6Very low36.7Very low150 Ų150112.4 Ų112.465%0.65275%0.747SS**  trans11.2110.1150-174.8-166.2175-174.40116.5
1130G33.8Very low36.4Very low71 Ų71113.7 Ų113.773%0.73275%0.751SS**  -129.1143.1128.600000108.3
1131E33Very low36.7Very low141 Ų141114.5 Ų114.566%0.65975%0.749SS**  cis-156.2168-21.6-144.3162.6-158.500107.7
1132A41.9Very low36.9Very low72 Ų72113.9 Ų113.960%0.59574%0.743SS**  trans-93.8109.8169.100000108T1134A1132-T1134 VanDerWaalsContact C-N 3.27Å; A1132-T1134 WeakPolarHBondContact O-CG2 3.45Å; A1132-T1134 PolarHBondContact O-N 2.7Å
1133G36.2Very low36.7Very low74 Ų74117.6 Ų117.676%0.76375%0.745SS**  trans-82.674.7156.700000108.3
1134T27.7Very low36.2Very low115 Ų115117.9 Ų117.971%0.70675%0.746SS**  70.8115.598.655.20000113.4A1132A1132-T1134 VanDerWaalsContact C-N 3.27Å; A1132-T1134 WeakPolarHBondContact O-CG2 3.45Å; A1132-T1134 PolarHBondContact O-N 2.7Å
1135P49.3Very low36.7Very low91 Ų91117.6 Ų117.659%0.59174%0.744SS**  trans-67132.9176.2-19.231.6000114M709M709-P1135 HydrophobicContact SD-CB 4.19Å; M709-P1135 HydrophobicContact SD-CG 4.11Å
1136G35.4Very low37Very low71 Ų71118 Ų11873%0.73275%0.746SS**  -103.5134.5128.800000106.7
1137L32.1Very low36.6Very low132 Ų132117.8 Ų117.869%0.69174%0.744SS**  cis56.7139.728.7-57.2175.5000114.2M709M709-L1137 HydrophobicContact CE-CD1 3.69Å; M709-L1137 HydrophobicContact SD-CD1 4.24Å
1138P38Very low36.4Very low120 Ų120117.8 Ų117.878%0.77974%0.744SS**  cis-130.9160.4-17.737.2-21.2000114.6
1139G34.9Very low36.4Very low76 Ų76117.4 Ų117.478%0.78475%0.751SS**  trans83.9172.416300000116.1
1140S33.8Very low35.9Very low108 Ų108114.1 Ų114.176%0.75575%0.746SS**  cis-163.5169.4-844.70000111.6
1141Q40.4Very low35.9Very low185 Ų185113 Ų11386%0.86473%0.734SS**  trans64.480.5147.5-165.3168.5-5.900116.8
1142G45.5Very low36.3Very low63 Ų63110.6 Ų110.665%0.64973%0.73SS**  trans-84.3-161.4160.500000113.5
1143R33.9Very low36Very low250 Ų250109.2 Ų109.294%0.94372%0.718SS**  trans74.4159.3-165.8-51.5179.3174.1-151.2-0.8113.6
1144P37.9Very low36.1Very low129 Ų129109 Ų10984%0.83872%0.716SS**  cis-109.6174.8-21149.4000111.7
1145G41.2Very low36.6Very low72 Ų72113.2 Ų113.274%0.74273%0.728SS**  trans-96.5-175.7173.300000113.7
1146L31.2Very low35.8Very low176 Ų176118.3 Ų118.392%0.92174%0.741SS**  trans-134.3157165.4-78.9176000111.2
1147P34.9Very low35.9Very low121 Ų121118.2 Ų118.279%0.78674%0.739SS**  trans-114.2156.2-168.618.83.6000115.7
1148G32.1Very low35.8Very low74 Ų74121.3 Ų121.376%0.76374%0.743SS**  trans77.2170.1155.600000118.2
1149E29.6Very low35.9Very low175 Ų175119.2 Ų119.282%0.81873%0.73SS**  cis-171.6159.4-18.3-133.9-165.4-118.300111.4
1150S31.8Very low35.8Very low80 Ų80118.7 Ų118.756%0.55972%0.724SS**  trans50.1156.8148-59.80000122
1151G32.2Very low36.1Very low47 Ų47119.7 Ų119.749%0.48573%0.725SS.*  cis-158.7159.1-1400000110.3L1348G1151-L1348 WeakPolarHBondContact O-CD2 2.99Å
1152V42.9Very low36Very low92 Ų92114.8 Ų114.856%0.55871%0.71SS**  trans-77.5151.6-153.7-163.30000117.8P1346V1152-P1346 HydrophobicContact CG2-CB 4.02Å
1153A36Very low36.1Very low43 Ų43114.4 Ų114.436%0.35571%0.706SS.*  trans-149.8156.3150.400000109.4
1154G37.3Very low35.9Very low70 Ų70110.2 Ų110.272%0.72270%0.702SS**  trans-175.1-179.6-178.400000117.2
1155Q38.8Very low35.7Very low202 Ų202110.4 Ų110.494%0.94470%0.704SS**  trans63.6147.5-172.6-57.4-166.817.200114.2
1156K31.6Very low35.2Very low199 Ų199108.2 Ų108.287%0.86568%0.681SS**  cis-140.914831.3-177.5177.4178.9178.90111.4
1157G38.3Very low35.2Very low68 Ų68104.6 Ų104.670%0.70166%0.661SS**  trans-83.4-174.7-163.500000118.2
1158Y29.1Very low35Very low197 Ų197105 Ų10577%0.77366%0.657SS**  trans-128166.2-178.8-81.1-46.7000112.3
1159P39.6Very low35.7Very low77 Ų77103.3 Ų103.350%0.564%0.639SS.*  trans-110.5-167.4-135.142.8-38.6000115.3G210G210-P1159 VanDerWaalsContact O-CG 3.3Å; G210-P1159 WeakPolarHBondContact O-CG 3.17Å
1160G33.8Very low35.9Very low65 Ų65102.4 Ų102.467%0.6764%0.639SS**PPolyproline II helixtrans-61.915317900000114.9
1161V39.8Very low36.5Very low128 Ų128107.5 Ų107.578%0.77665%0.654SS**PPolyproline II helixtrans-73.8142.3-170-1630000112.1
1162P39.6Very low37.5Very low82 Ų82108.6 Ų108.653%0.53267%0.665SS.*PPolyproline II helixtrans-72.6125.9164.8-7.525.2000109.4P212P212-P1162 HydrophobicContact CB-CG 3.23Å; P212-P1162 HydrophobicContact CG-CG 3.57Å
1163G46.9Very low37.5Very low56 Ų56110.3 Ų110.358%0.57768%0.678SS**  trans-89.7-173.8163.800000112.1
1164N29.3Very low38Very low162 Ų162114.3 Ų114.387%0.86670%0.7SS**  trans75163.4167.3-43.5-26.2000115.5
1165P33.8Very low38.3Very low133 Ų133114.9 Ų114.986%0.86471%0.706SS**  cis-121175.1-47.832.9-18000109.7
1166G29.9Very low38.7Very low25 Ų25117.1 Ų117.126%0.25871%0.706SS.*  cis148.7-160.316.500000107.8R1315 K1316G1166-R1315 CarbonylContact O-C 3.25Å; G1166-K1316 PolarHBondContact O-N 3.32Å
1167I31.2Very low38.7Very low101 Ų101113.7 Ų113.752%0.51869%0.693SS.*  trans67.967.9175.312.9-169.1000117R1315 K1316I1167-R1315 CarbonylContact O-C 3.18Å; I1167-R1315 WeakPolarHBondContact O-CA 3.26Å; I1167-R1315 PolarHBondContact O-N 3.39Å; I1167-K1316 PolarHBondContact O-N 3.24Å
1168D31.7Very low39Very low128 Ų128112.7 Ų112.768%0.68468%0.683SS**  47.4167.9104.4-58.5-68.5000123.3K222K222-D1168 PolarHBondContact NZ-O 3.13Å
1169G45.6Very low39.1Very low39 Ų39109 Ų10940%0.40269%0.686SS.*  trans65.4169.1138.100000121.6K222K222-G1169 PolarHBondContact NZ-O 3.45Å
1170I34.6Very low39.3Very low157 Ų157115.5 Ų115.581%0.80571%0.706SS**  cis-132.8112.7-22.6-61.6-175.8000106.6
1171Q45.3Very low39.3Very low187 Ų187115.6 Ų115.687%0.87471%0.707SS**  37.1125.9129.6-155.6172.57.200119.9
1172G52.4Low38.8Very low70 Ų70118.2 Ų118.272%0.72271%0.711SS**  trans-110.6161.8174.700000114.6
1173P42.4Very low38.8Very low128 Ų128123.5 Ų123.583%0.83173%0.728SS**  trans-118.8-174.3179.948.1-35.7000111.9
1174P47.8Very low38.1Very low126 Ų126124.1 Ų124.182%0.81874%0.735SS**  -139.9137.4-120.433.7-8.8000120
1175G43.3Very low38.4Very low83 Ų83124.7 Ų124.786%0.85674%0.736SS**  trans78.4155.7161.300000116
1176R47.3Very low38.5Very low248 Ų248123 Ų12394%0.93673%0.733SS**  cis-153.2-163.112.1-133.3178.7-172.9-179.44.4108.9
1177H31.1Very low39Very low127 Ų127125.6 Ų125.659%0.58876%0.76SS**  trans72.7175.5-179.4-10394.8000115.9R308R308-H1177 PolarHBondContact O-CD2 3.31Å; R308-H1177 PolarHBondContact O-NE2 3.06Å
1178G44.1Very low39.5Very low47 Ų47127.4 Ų127.449%0.48578%0.776SS.*  trans-162.8-177.9-172.500000115.8
1179S32.5Very low40Very low120 Ų120127.8 Ų127.884%0.83979%0.785SS**  trans62.386.2177.7520000119.4
1180K44.1Very low39.7Very low214 Ų214129.4 Ų129.493%0.9380%0.802SS**  trans64.5133.2136.5-160.2179.8179.3-170.30120.7
1181G33.3Very low40Very low66 Ų66127 Ų12768%0.6879%0.79SS**  trans109.4129.9175.100000111.4
1182E29.5Very low39.5Very low183 Ų183122.2 Ų122.286%0.85578%0.778SS**  cis-150.1-140-18.8-158.7143.2-122.500109.4
1183Q38.3Very low38.8Very low193 Ų193120.4 Ų120.490%0.90276%0.759SS**  trans-74.3157.8179.1-62.4168.5-90.600113.1
1184G33.5Very low38.9Very low70 Ų70118.7 Ų118.772%0.72275%0.748SS**  trans134.588.6144.200000120.2
1185I34.9Very low38.3Very low173 Ų173118.4 Ų118.489%0.88774%0.744SS**  trans22.4138.7139.1-19.1-178.6000122.1
1186A37Very low38Very low97 Ų97117.8 Ų117.880%0.80274%0.738SS**  trans114.6137132.900000121
1187G38.7Very low37.4Very low80 Ų80113.6 Ų113.683%0.82573%0.734SS**  trans93.694.8137.200000120.9
1188T42.9Very low37.5Very low140 Ų140113.5 Ų113.586%0.85974%0.741SS**  trans-97.9147.7157.253.30000111
1189P40.5Very low37.2Very low135 Ų135115 Ų11588%0.87776%0.757SS**  -155.7166.9111.538.1-20.5000117.1
1190G39.7Very low37.2Very low73 Ų73117.5 Ų117.575%0.75376%0.757SS**  trans131.9126.715400000118.2
1191L42.2Very low36.8Very low106 Ų106116.9 Ų116.956%0.55575%0.754SS**  trans-154.1156.3169.9-76.4169.7000110.4A1307 G1308 P1310L1191-A1307 HydrophobicContact CD2-CB 4.17Å; L1191-G1308 WeakPolarHBondContact CB-O 3.26Å; L1191-P1310 HydrophobicContact CD1-CG 4.27Å
1192S34.3Very low37.3Very low87 Ų87116.7 Ų116.761%0.60875%0.753SS**  trans-163.4127.8171590000117.2A1307S1192-A1307 WeakPolarHBondContact O-CB 3.48Å; S1192-A1307 PolarHBondContact O-N 3.04Å
1193G38.1Very low37.5Very low33 Ų33112.8 Ų112.834%0.3474%0.742SS.*  trans65.8133.9140.300000122.3E1306 A1307G1193-E1306 CarbonylContact O-C 3.49Å; G1193-E1306 VanDerWaalsContact O-CA 3.29Å; G1193-E1306 WeakPolarHBondContact O-CA 2.99Å; G1193-E1306 WeakPolarHBondContact O-CB 3.49Å; G1193-E1306 WeakPolarHBondContact O-CG 3.35Å; G1193-A1307 CarbonylContact C-O 3.14Å; G1193-A1307 VanDerWaalsContact C-O 3.25Å; G1193-A1307 WeakPolarHBondContact CA-O 3.45Å; G1193-A1307 PolarHBondContact N-O 3.19Å; G1193-A1307 PolarHBondContact O-N 2.61Å
1194P43.1Very low37.3Very low92 Ų92111.2 Ų111.260%0.59774%0.74SS**  trans-129.7142.2169.338.7-23.9000118.6E1306 A1307P1194-E1306 VanDerWaalsContact CA-OE2 3.24Å; P1194-E1306 WeakPolarHBondContact CA-OE2 3.3Å; P1194-E1306 HydrophobicContact CB-CB 4.47Å; P1194-A1307 WeakPolarHBondContact CD-O 3.34Å
1195T35Very low37.6Very low119 Ų119111.1 Ų111.173%0.7374%0.738SS**  trans134.5139.5139.5-560000115.7E1306T1195-E1306 PolarHBondContact N-OE2 3.43Å
1196G37.9Very low38.1Very low71 Ų71111.4 Ų111.473%0.73274%0.74SS**  trans-161.6146.8164.400000113.4
1197L34Very low38.3Very low160 Ų160112.9 Ų112.984%0.83874%0.742SS**  trans-146154-168.4-100.8176.1000115.1
1198V34.4Very low38.3Very low124 Ų124112 Ų11275%0.75273%0.733SS**  trans68.2126.7160.2175.70000119.4M1200V1198-M1200 HydrophobicContact CG1-CG 4.39Å
1199G38Very low37.9Very low78 Ų78113.8 Ų113.880%0.80473%0.732SS**  trans-161.9127.7158.100000109
1200M32.2Very low37.6Very low174 Ų174115.5 Ų115.586%0.85772%0.721SS**  trans-115.1165.1-165.3-64.4168.86100114V1198V1198-M1200 HydrophobicContact CG1-CG 4.39Å
1201K35.8Very low37.7Very low200 Ų200114.8 Ų114.887%0.8771%0.713SS**  trans123.1142.2130.6-163.4174.5-179.2-178.20116
1202G44.1Very low37.3Very low63 Ų63115.8 Ų115.865%0.64972%0.718SS**  trans111.796.2176.100000113
1203T32.9Very low37.5Very low101 Ų101119.1 Ų119.162%0.6272%0.724SS**  cis60.6124.19.367.40000115.8
1204D34.9Very low37.4Very low160 Ų160121 Ų12186%0.85674%0.743SS**  cis-157.8170.3-4-84.9-39.7000106.9
1205G40Very low37Very low67 Ų67125 Ų12569%0.69175%0.754SS**  cis175.7-176.6-0.200000111.8
1206L45.4Very low37.3Very low179 Ų179126.4 Ų126.494%0.93775%0.754SS**  trans-91.8141.1174.2-67.2159.5000110.8
1207P40.2Very low37Very low128 Ų128126.5 Ų126.583%0.83176%0.755SS**  -146.1164.6120.836.4-21.5000113.5
1208G39.1Very low36.8Very low62 Ų62128.8 Ų128.864%0.63976%0.758SS**  cis-140.8161.5-300000110.7
1209Q33.5Very low37.2Very low177 Ų177128.1 Ų128.183%0.82776%0.757SS**  59.8139.277.8-58.9-167.721.900113.1
1210R35.9Very low37.2Very low172 Ų172128 Ų12865%0.64976%0.755SS**  cis-157.1153.529.5-148.3175.6-163.5-151.7-1.4108.3E172 L1212E172-R1210 IonicContact OE1-CZ 2.8Å; E172-R1210 IonicContact OE1-NH1 2.83Å; E172-R1210 IonicContact OE1-NH2 3.26Å; E172-R1210 PolarHBondContact OE1-NH2 2.91Å; R1210-L1212 HydrophobicContact CG-CD1 4.28Å
1211G41.9Very low37.3Very low57 Ų57131.1 Ų131.159%0.58876%0.757SS**  cis-166.7165.7-2.500000109.9
1212L32.6Very low37Very low127 Ų127126.7 Ų126.767%0.66575%0.749SS**  71.8136.887.2-60.2166.2000113.1R1210R1210-L1212 HydrophobicContact CG-CD1 4.28Å
1213Q39.5Very low37Very low157 Ų157127.6 Ų127.673%0.73476%0.758SS**  cis-168.1153.125-151.8166.1-53.300114
1214G34.4Very low36.6Very low72 Ų72130 Ų13074%0.74277%0.766SS**  trans73.3144.2160.700000116.1
1215E35.7Very low36.4Very low177 Ų177128.1 Ų128.183%0.82776%0.762SS**  cis-145161-1.2-81.6-163.1157.600108.2
1216M41Very low36Very low149 Ų149127.9 Ų127.973%0.73476%0.76SS**  cis-155105.7-20.7175.7-171.4-47.500106
1217G31.6Very low35.1Very low72 Ų72127.2 Ų127.274%0.74276%0.757SS**PPolyproline II helixtrans-74.7129.7-179.600000111.9P1219G1217-P1219 WeakPolarHBondContact O-CD 3.42Å
1218F31Very low35.1Very low208 Ų208128.9 Ų128.991%0.91276%0.757SS**PPolyproline II helixtrans-64124.7169.2-101.6-78.8000110G1220F1218-G1220 PolarHBondContact O-N 3.28Å
1219P42.9Very low34.8Very low111 Ų111129 Ų12972%0.72176%0.758SS**PPolyproline II helixtrans-64.6127.3179.9-22.934000111.6G1217 R1221G1217-P1219 WeakPolarHBondContact O-CD 3.42Å; P1219-R1221 PolarHBondContact O-N 2.96Å; P1219-R1221 VanDerWaalsContact O-N 3.09Å
1220G36.3Very low34.7Very low74 Ų74130.4 Ų130.476%0.76376%0.764SS**  trans-63.3110.3168.300000110F1218F1218-G1220 PolarHBondContact O-N 3.28Å
1221R35Very low34.6Very low241 Ų241132.1 Ų132.191%0.90978%0.777SS**  trans-69.8127.2171.2-82.4-169.2168.9-137.6-2.8109.4P1219P1219-R1221 PolarHBondContact O-N 2.96Å; P1219-R1221 VanDerWaalsContact O-N 3.09Å
1222P30.4Very low34.1Very low107 Ų107132.9 Ų132.970%0.69578%0.784SS**  trans-60.8151.8-179.5-25.835.2000113.6I1224P1222-I1224 PolarHBondContact O-N 2.91Å
1223G43.1Very low34Very low82 Ų82135.3 Ų135.385%0.84580%0.796SS**  trans-70.3106.2170.500000111.5
1224I25.5Very low33.7Very low150 Ų150132.5 Ų132.577%0.76980%0.799SS**  trans-128.7128.6170.9-68.8-178.2000105.8P1222P1222-I1224 PolarHBondContact O-N 2.91Å
1225P30Very low33.8Very low121 Ų121132.1 Ų132.179%0.78680%0.796SS**  -117.5-138.5-102.139.9-33.5000112.9
1226G31.2Very low33.4Very low62 Ų62132 Ų13264%0.63980%0.8SS**  trans-54.9161.2-179.800000113.5
1227L27.7Very low33.2Very low166 Ų166129 Ų12987%0.86978%0.784SS**  -153.4168.771.1-92.9162000114.3
1228I39.1Very low33.7Very low163 Ų163127.2 Ų127.284%0.83677%0.766SS**  trans73.7126.6167.4-63.4148.1000115.1
1229G32.3Very low33.6Very low65 Ų65126.8 Ų126.867%0.6776%0.764SS**  trans-106.4-151179.800000112.9
1230E32.7Very low33.2Very low205 Ų205127.8 Ų127.896%0.95877%0.767SS**  cis-130.7171.18.8-75.4-159.7127.500114.4
1231K32Very low33.3Very low209 Ų209127.5 Ų127.591%0.90976%0.764SS**  trans-121.6115.4-157.7173.8-174.7175.9-179.40111.1
1232G33.3Very low33.1Very low72 Ų72125.8 Ų125.874%0.74276%0.764SS**  trans88.6168.3174.100000114.1
1233I29.2Very low33.7Very low179 Ų179125.4 Ų125.492%0.91876%0.761SS**  cis-110.1144.412.1-53.1177.4000110.7
1234A33.9Very low33.2Very low97 Ų97125 Ų12580%0.80276%0.756SS**  trans-78145.9-169.600000115
1235G37.2Very low33.5Very low64 Ų64124.2 Ų124.266%0.6675%0.754SS**  trans85.292.1134.600000119
1236L26.5Very low33.9Very low175 Ų175124.5 Ų124.592%0.91676%0.756SS**  trans-125.568.7140-88.2178.8000110.5
1237Q37.1Very low34Very low85 Ų85124.5 Ų124.540%0.39776%0.756SS.*  trans-68.3163162.8-153148.1-62.800109.7P875 G876 L877P875-Q1237 VanDerWaalsContact C-CG 3.42Å; P875-Q1237 HydrophobicContact CB-CG 3.96Å; P875-Q1237 HydrophobicContact CG-CG 3.83Å; P875-Q1237 WeakPolarHBondContact O-CG 3.38Å; G876-Q1237 PolarHBondContact O-NE2 2.89Å; L877-Q1237 HydrophobicContact CD2-CB 3.83Å; L877-Q1237 HydrophobicContact CG-CB 4.15Å; L877-Q1237 WeakPolarHBondContact CG-O 3.09Å
1238G40.8Very low34.2Very low36 Ų36127.4 Ų127.437%0.37176%0.757SS.*BIsolated β-bridgetrans-68.9135.2-160.800000117.2P875 L877 V1240P875-G1238 PolarHBondContact O-N 2.91Å; L877-G1238 WeakPolarHBondContact CB-O 3.31Å; L877-G1238 VanDerWaalsContact CD1-O 3.26Å; L877-G1238 WeakPolarHBondContact CD1-O 3.35Å; L877-G1238 WeakPolarHBondContact CG-O 3.17Å; G1238-V1240 PolarHBondContact O-N 2.89Å
1239K28.6Very low34.2Very low199 Ų199125.6 Ų125.687%0.86576%0.756SS**  trans-66.293.1171.5-78-174.2178.4178.50112.5
1240V34.9Very low34.3Very low131 Ų131125.3 Ų125.379%0.79475%0.753SS**  trans-137.3133.5155.6-176.90000106.1G1238G1238-V1240 PolarHBondContact O-N 2.89Å
1241G38.4Very low34.4Very low68 Ų68121.8 Ų121.870%0.70175%0.748SS**  cis-157.7159.9-12.300000109.1
1242K30.8Very low34.5Very low206 Ų206118.6 Ų118.690%0.89675%0.746SS**  trans-124.7150.7174.1-89.4-162.5177.5-168.60109.9
1243P42.5Very low34.8Very low99 Ų99118.3 Ų118.364%0.64374%0.743SS**  cis-136.9171.1-25.739.3-23.9000113.5
1244G33.5Very low35Very low72 Ų72118 Ų11874%0.74274%0.743SS**  trans-116101.3155.400000109.6P1246G1244-P1246 WeakPolarHBondContact O-CD 3.44Å
1245N32.5Very low35.2Very low135 Ų135118.2 Ų118.272%0.72275%0.745SS**  trans-104.1103.4175.1-81.928000111
1246P38.4Very low35.3Very low126 Ų126118.5 Ų118.582%0.81875%0.748SS**  trans-121.6128.3145.633.8-23000109.7G1244G1244-P1246 WeakPolarHBondContact O-CD 3.44Å
1247G33.6Very low35.7Very low63 Ų63118.1 Ų118.165%0.64975%0.745SS**  cis-158-169.2-7.800000109.3P1249G1247-P1249 WeakPolarHBondContact O-CD 3.2Å
1248Y31Very low35.6Very low226 Ų226120.1 Ų120.189%0.88677%0.765SS**  trans-107.8104.9175.5-78.2-86.4000111.7
1249P39.9Very low35.7Very low125 Ų125122 Ų12281%0.81279%0.785SS**  trans-82119.5156.6-10.828.5000110.2G1247G1247-P1249 WeakPolarHBondContact O-CD 3.2Å
1250G33.7Very low36Very low60 Ų60118 Ų11862%0.61979%0.789SS**  trans50.199.3153.900000119.7V1252G1250-V1252 PolarHBondContact O-N 2.96Å; G1250-V1252 VanDerWaalsContact O-N 3.14Å
1251P34.8Very low36.1Very low130 Ų130116.9 Ų116.984%0.84479%0.793SS**  trans-65.9106.2149.529.9-31.5000109.2
1252V33.2Very low36.2Very low143 Ų143116.8 Ų116.887%0.86779%0.792SS**PPolyproline II helixtrans-71.7125.2159.7179.10000106.5G1250G1250-V1252 PolarHBondContact O-N 2.96Å; G1250-V1252 VanDerWaalsContact O-N 3.14Å
1253G39.7Very low36.6Very low66 Ų66114.3 Ų114.368%0.6879%0.788SS**PPolyproline II helixtrans-67.6144.7-159.900000115.3
1254D34Very low36.3Very low172 Ų172117.5 Ų117.592%0.9280%0.799SS**PPolyproline II helixtrans-59.4147.2164.9-77.7-56.3000111.1
1255A37.6Very low36.7Very low101 Ų101117.1 Ų117.184%0.83580%0.795SS**PPolyproline II helixtrans-68.5148.9-16800000114.3
1256G39.8Very low36.9Very low70 Ų70121.4 Ų121.472%0.72281%0.807SS**PPolyproline II helixtrans-64.2157.5172.700000113.7
1257I34.4Very low37.1Very low168 Ų168118.7 Ų118.786%0.86280%0.802SS**PPolyproline II helixtrans-65.1131.7-175.8-57.6166.6000110.6
1258P36.5Very low37.8Very low127 Ų127121.8 Ų121.883%0.82581%0.811SS**PPolyproline II helixtrans-67.4134.9177.4-21.933.7000114.2
1259G41Very low38.1Very low76 Ų76120.9 Ų120.978%0.78481%0.806SS**  trans-117.5160165.600000111.5
1260A36.6Very low38.2Very low114 Ų114118.5 Ų118.594%0.94280%0.804SS**  trans-83.1172.5-170.900000114.6
1261A35.8Very low38.3Very low108 Ų108120.6 Ų120.689%0.89380%0.801SS**  trans-130.5162.9-163.200000115.5
1262G41.6Very low38.6Very low66 Ų66121.5 Ų121.568%0.6880%0.804SS**  trans155.1158.1164.300000113.6
1263L38.4Very low39Very low154 Ų154117.7 Ų117.781%0.80679%0.794SS**  cis-170.5138.3-18.6-147.877.8000110.5
1264L36.6Very low38.8Very low165 Ų165121.9 Ų121.986%0.86480%0.799SS**  trans62.2154.6166.1-59.9161.8000118.8
1265G41Very low39.2Very low64 Ų64120.1 Ų120.166%0.6680%0.797SS**  cis132116.3-23.100000117.7
1266K37.7Very low39.2Very low225 Ų225118.1 Ų118.198%0.97879%0.786SS**  trans173.4163.1149.6-104.3170.3-177-179.20115.6
1267G42.7Very low39.3Very low70 Ų70121.2 Ų121.272%0.72279%0.793SS**  trans-178.4171.7168.200000113.9
1268P48.6Very low39.3Very low127 Ų127117.7 Ų117.783%0.82579%0.789SS**  trans-107.2164.3166.239-31000112
1269R36.5Very low39.3Very low208 Ų208115 Ų11579%0.78578%0.784SS**  cis86.2124.54.4-163.6172.6-176.91565.9120D1271R1269-D1271 IonicContact CZ-OD1 3.66Å; R1269-D1271 IonicContact CZ-OD2 3.52Å; R1269-D1271 IonicContact NE-OD1 2.69Å; R1269-D1271 IonicContact NE-OD2 3.52Å; R1269-D1271 PolarHBondContact NE-OD2 2.91Å; R1269-D1271 IonicContact NH2-OD1 3.79Å; R1269-D1271 PolarHBondContact NH2-OD1 3.05Å; R1269-D1271 IonicContact NH2-OD2 2.7Å; R1269-D1271 PolarHBondContact NH2-OD2 2.91Å
1270G41.4Very low38.8Very low75 Ų75115.9 Ų115.977%0.77379%0.785SS**  trans-162.3126.316000000110.9
1271D35.7Very low38.5Very low104 Ų104115.8 Ų115.856%0.55678%0.777SS**  trans-88-175.3-166.5-67.9-110.9000113.1R1269R1269-D1271 IonicContact CZ-OD1 3.66Å; R1269-D1271 IonicContact CZ-OD2 3.52Å; R1269-D1271 IonicContact NE-OD1 2.69Å; R1269-D1271 IonicContact NE-OD2 3.52Å; R1269-D1271 PolarHBondContact NE-OD2 2.91Å; R1269-D1271 IonicContact NH2-OD1 3.79Å; R1269-D1271 PolarHBondContact NH2-OD1 3.05Å; R1269-D1271 IonicContact NH2-OD2 2.7Å; R1269-D1271 PolarHBondContact NH2-OD2 2.91Å
1272V42.1Very low38.6Very low148 Ų148119.9 Ų119.990%0.89778%0.777SS**  cis-160.8157.241.4172.30000108.5
1273G40.6Very low38.7Very low64 Ų64122.8 Ų122.866%0.6679%0.785SS**  cis-167-174.55.400000114.1
1274I36.8Very low38.3Very low154 Ų154119.1 Ų119.179%0.7978%0.784SS**  trans-136.1158.2-159.4-11.7176.2000111.2
1275P42.8Very low38.9Very low135 Ų135119.6 Ų119.688%0.87779%0.786SS**  -142.3160.279.136.8-20000114.5
1276G36.8Very low39Very low59 Ų59122.7 Ų122.761%0.60880%0.795SS**  cis-156179.20.300000112.1
1277P41.6Very low39Very low134 Ų134115.6 Ų115.687%0.8779%0.786SS**  trans-82167.5-161.433.2-37.9000115.3
1278A35.5Very low38.6Very low95 Ų95118.1 Ų118.179%0.78579%0.792SS**  cis-166.1165.7-15.200000107
1279G35.3Very low37.8Very low69 Ų69122.1 Ų122.171%0.71180%0.797SS**  cis84.793.83800000109
1280A30Very low37.8Very low96 Ų96115.1 Ų115.179%0.79379%0.79SS**  cis82.2119.245.300000114.4
1281S30Very low37.5Very low112 Ų112118.9 Ų118.978%0.78379%0.787SS**  trans63.1101.7159.6-53.20000120.8
1282E39.1Very low37.1Very low193 Ų193123.9 Ų123.990%0.90280%0.798SS**  trans62170.9149.2-62.6-164.2139.100119
1283P42.9Very low37.2Very low128 Ų128119.9 Ų119.983%0.83179%0.787SS**  cis-116.9172.9-15.536.7-23.1000113.3
1284G31.5Very low36.6Very low77 Ų77124.7 Ų124.779%0.79479%0.792SS**  trans174.7121.4167.900000118.2
1285L49.1Very low36.3Very low175 Ų175124 Ų12492%0.91679%0.79SS**  trans-139.1153.1157.9-78.9162.7000106.4
1286P41.2Very low36.1Very low128 Ų128120.6 Ų120.683%0.83178%0.78SS**  cis-127.5-176.69.642.4-27.6000114.2
1287G38.7Very low36.2Very low77 Ų77124.5 Ų124.579%0.79479%0.786SS**  trans-176.6143167.200000111.4
1288S35.3Very low35.9Very low122 Ų122123.9 Ų123.985%0.85378%0.781SS**  trans-143.3154.4-174.176.10000114.3
1289K30.2Very low35.9Very low211 Ų211122 Ų12292%0.91777%0.771SS**  trans76.5134.6170.4-164.2-175.5176.3-171.80116.8
1290G36.9Very low35.7Very low62 Ų62126.4 Ų126.464%0.63978%0.777SS**  trans142.484.1-174.400000107.7
1291E35.4Very low35.9Very low153 Ų153127.7 Ų127.772%0.71578%0.778SS**  61.9106.598-63.2-144.8132.800112.1
1292R27.7Very low36.4Very low209 Ų209125.3 Ų125.379%0.78977%0.771SS**  73.7126.683.8-177.3-166.3-72.5134.23.9111.9
1293G44.6Very low35.9Very low65 Ų65124.1 Ų124.167%0.6777%0.77SS**  trans114.988.3178.900000109.2
1294E27.8Very low35.4Very low165 Ų165128.8 Ų128.877%0.77177%0.771SS**  cis59.812224.1-141.3172.5-150.200112.1
1295D29.7Very low35.6Very low138 Ų138127.9 Ų127.974%0.73876%0.762SS**  trans55.9106.4-179-53.7-24.8000115.3
1296G39.4Very low34.7Very low65 Ų65125.8 Ų125.867%0.6775%0.747SS**  cis74159.121.200000111.8
1297I37.9Very low34.4Very low141 Ų141121.4 Ų121.472%0.72372%0.722SS**  trans72.7136.3-172.2-45.1150000109.7
1298P36.4Very low34.6Very low120 Ų120120 Ų12078%0.77971%0.708SS**  cis-119.8156.225.419.34.5000115.2
1299G34.3Very low34.4Very low55 Ų55121.2 Ų121.257%0.56770%0.703SS**  cis95.2137.2-0.800000114.8
1300L31.5Very low35Very low162 Ų162116.5 Ų116.585%0.84869%0.694SS**  trans68.2173.2172.8-45.8132.5000114.5
1301P33.5Very low34.8Very low123 Ų123116.6 Ų116.680%0.79970%0.695SS**  cis-108.2166.5-26.29.613.9000110.7
1302G40.6Very low34.6Very low62 Ų62117.4 Ų117.464%0.63970%0.704SS**  cis124.1177.216.500000110
1303L29.8Very low35.1Very low168 Ų168113.1 Ų113.188%0.8870%0.703SS**  trans71.8148.2-175.7-50.8174.5000113.8
1304R31.1Very low34.5Very low226 Ų226112.1 Ų112.185%0.85369%0.693SS**  cis-166.7142.2-18171.3173.1-173.7173.90.7105
1305G37Very low34.8Very low59 Ų59110.9 Ų110.961%0.60868%0.681SS**  cis114.588.518.100000107.9
1306E30.4Very low34.9Very low130 Ų130105.9 Ų105.961%0.60765%0.653SS**  trans-155.2142.7-163.9-112.2-154.5159.200108.4G1193 P1194 T1195G1193-E1306 CarbonylContact O-C 3.49Å; G1193-E1306 VanDerWaalsContact O-CA 3.29Å; G1193-E1306 WeakPolarHBondContact O-CA 2.99Å; G1193-E1306 WeakPolarHBondContact O-CB 3.49Å; G1193-E1306 WeakPolarHBondContact O-CG 3.35Å; P1194-E1306 VanDerWaalsContact CA-OE2 3.24Å; P1194-E1306 WeakPolarHBondContact CA-OE2 3.3Å; P1194-E1306 HydrophobicContact CB-CB 4.47Å; T1195-E1306 PolarHBondContact N-OE2 3.43Å
1307A33.6Very low34.8Very low37 Ų37105.9 Ų105.931%0.30665%0.652SS.*  trans-125.5-178.7-148.200000116.9L1191 S1192 G1193 P1194L1191-A1307 HydrophobicContact CD2-CB 4.17Å; S1192-A1307 WeakPolarHBondContact O-CB 3.48Å; S1192-A1307 PolarHBondContact O-N 3.04Å; G1193-A1307 CarbonylContact C-O 3.14Å; G1193-A1307 VanDerWaalsContact C-O 3.25Å; G1193-A1307 WeakPolarHBondContact CA-O 3.45Å; G1193-A1307 PolarHBondContact N-O 3.19Å; G1193-A1307 PolarHBondContact O-N 2.61Å; P1194-A1307 WeakPolarHBondContact CD-O 3.34Å
1308G43.9Very low34.4Very low48 Ų48106.8 Ų106.850%0.49565%0.653SS.*  trans-102.9-166.4178.700000114.6L1191L1191-G1308 WeakPolarHBondContact CB-O 3.26Å
1309I30.5Very low34.5Very low147 Ų147108.4 Ų108.475%0.75466%0.661SS**  trans-143.5149.1169.8-67.1-172.3000108.9
1310P42.3Very low34.5Very low111 Ų111109 Ų10972%0.72167%0.668SS**  trans-123.2165.4-160.641.7-28.7000118.4L1191L1191-P1310 HydrophobicContact CD1-CG 4.27Å
1311G33.6Very low34.4Very low65 Ų65109.9 Ų109.967%0.6767%0.672SS**  trans178.3121.8162.300000109.7
1312L31.5Very low34.5Very low170 Ų170113 Ų11389%0.8968%0.678SS**  70.8141.465.4-69174.7000114.4
1313P37.7Very low34.2Very low118 Ų118112.7 Ų112.777%0.76668%0.675SS**  cis-137.2-174.8-47.237.4-19.5000112.8
1314G33.2Very low34.2Very low45 Ų45111.5 Ų111.546%0.46467%0.669SS.*  trans-170.4-27.5170.800000124.6
1315R32.6Very low34.4Very low138 Ų138106.9 Ų106.952%0.52167%0.668SS.*  trans69.4112165.5-64.4-176.4158.3-168-2.9122.5M218 F221 G1166 I1167M218-R1315 HydrophobicContact CE-CB 3.77Å; M218-R1315 WeakPolarHBondContact CE-O 3.31Å; M218-R1315 HydrophobicContact SD-CB 3.89Å; F221-R1315 HydrophobicContact CZ-CG 4.15Å; G1166-R1315 CarbonylContact O-C 3.25Å; I1167-R1315 CarbonylContact O-C 3.18Å; I1167-R1315 WeakPolarHBondContact O-CA 3.26Å; I1167-R1315 PolarHBondContact O-N 3.39Å
1316K33.3Very low34.2Very low34 Ų34105.7 Ų105.715%0.14866%0.656CS.*  67.7124.3122.6-168.2-166.275.5-1610123.4M218 G219 S220 F221 G1166 I1167M218-K1316 VanDerWaalsContact C-NZ 3.34Å; M218-K1316 VanDerWaalsContact CG-CE 3.48Å; M218-K1316 PolarHBondContact O-NZ 3.31Å; M218-K1316 HydrophobicContact SD-CB 4.41Å; M218-K1316 VanDerWaalsContact SD-CE 3.54Å; M218-K1316 PolarHBondContact SD-NZ 3.35Å; M218-K1316 VanDerWaalsContact SD-NZ 3.38Å; G219-K1316 VanDerWaalsContact C-NZ 3.33Å; G219-K1316 VanDerWaalsContact O-CD 3.29Å; G219-K1316 WeakPolarHBondContact O-CD 3.36Å; G219-K1316 WeakPolarHBondContact O-CE 3.25Å; G219-K1316 PolarHBondContact O-NZ 3.29Å; S220-K1316 PolarHBondContact OG-NZ 3.33Å; F221-K1316 HydrophobicContact CD1-CD 3.97Å; F221-K1316 HydrophobicContact CD1-CG 4.2Å; F221-K1316 HydrophobicContact CE1-CB 3.96Å; F221-K1316 HydrophobicContact CE1-CD 3.9Å; F221-K1316 HydrophobicContact CE1-CG 3.93Å; F221-K1316 HydrophobicContact CG-CD 4.48Å; F221-K1316 HydrophobicContact CZ-CB 4.43Å; F221-K1316 HydrophobicContact CZ-CD 4.36Å; G1166-K1316 PolarHBondContact O-N 3.32Å; I1167-K1316 PolarHBondContact O-N 3.24Å
1317G36.8Very low34.6Very low64 Ų64109 Ų10966%0.6667%0.668SS**  trans166.2147.715000000112.1
1318E29.7Very low34.7Very low160 Ų160116.8 Ų116.875%0.74869%0.69SS**  cis-136.8178.9-8.6-82.1-166.1142.700110K215K215-E1318 IonicContact NZ-OE1 2.76Å; K215-E1318 PolarHBondContact NZ-OE1 3.43Å; K215-E1318 IonicContact NZ-OE2 2.59Å; K215-E1318 PolarHBondContact NZ-OE2 3.45Å
1319V37.9Very low34.4Very low154 Ų154115.6 Ų115.693%0.93368%0.677SS**  trans-98.8137.6179.2170.70000111.6
1320G33.8Very low34.5Very low69 Ų69118.2 Ų118.271%0.71168%0.684SS**  trans117.5126.114800000116.4
1321L29.9Very low34.3Very low180 Ų180121 Ų12194%0.94268%0.681SS**  trans-130.679159.6-120.3170.6000108.8
1322M36.2Very low34.8Very low188 Ų188120.7 Ų120.793%0.92668%0.678SS**  trans-90.6114.7173.2178.8175.168.400109.7
1323G34.4Very low35.4Very low55 Ų55119.4 Ų119.457%0.56768%0.677SS**  trans81.9119.6155.200000117.8
1324L29Very low35.9Very low143 Ų143120 Ų12075%0.74968%0.681SS**  trans-125112.2133.6-77.3174.2000106.8
1325P35Very low36.2Very low129 Ų129120.6 Ų120.684%0.83869%0.687SS**  -94.2164111-24.536.5000112.8
1326G33.1Very low36.4Very low35 Ų35122.1 Ų122.136%0.36171%0.705SS.*  trans114.826.4167.700000118.2R1328G1326-R1328 PolarHBondContact O-N 2.94Å
1327K39.8Very low37Very low198 Ų198126.6 Ų126.686%0.86174%0.737SS**  trans-89.663.6169.4-94-164.3177.1-176.50113.7
1328R34.8Very low37.8Very low201 Ų201126 Ų12676%0.75873%0.731SS**  trans-150.1121.5140.8-160.5176.3-170.5-1773.4108.5G1326G1326-R1328 PolarHBondContact O-N 2.94Å
1329G38.1Very low37.7Very low23 Ų23124.5 Ų124.524%0.23774%0.735CS.*  cis-164.8157.2-10.800000110.2K1727 P1728G1329-K1727 WeakPolarHBondContact O-CA 3.24Å; G1329-K1727 WeakPolarHBondContact O-CG 3.38Å; G1329-P1728 WeakPolarHBondContact O-CD 3.31Å
1330K32.8Very low37.8Very low203 Ų203126.9 Ų126.988%0.88374%0.736SS**  trans-89.2114.3161.6-79.2-169.7174.1-172.20107.4
1331Y37.1Very low37.7Very low169 Ų169126.7 Ų126.766%0.66373%0.734SS**  trans-82.4155.2156.6-107.5-80.1000109.5
1332G44.2Very low37.8Very low59 Ų59126 Ų12661%0.60873%0.731SS**  trans64.599.5149.400000118.2P1334G1332-P1334 WeakPolarHBondContact O-CD 3.49Å
1333T43.5Very low37.7Very low142 Ų142122.4 Ų122.487%0.87173%0.731SS**  trans-78.8110.6134.443.90000107.7
1334P48.4Very low38Very low131 Ų131122.8 Ų122.885%0.85174%0.736SS**PPolyproline II helixtrans-71147.7-179.7-17.233.2000111.7G1332G1332-P1334 WeakPolarHBondContact O-CD 3.49Å
1335G40.5Very low38Very low57 Ų57124.1 Ų124.159%0.58874%0.736SS**PPolyproline II helixtrans-102.7171.9-16100000117.2
1336L36.6Very low37.8Very low171 Ų171123.2 Ų123.290%0.89573%0.73SS**SBendtrans-67.8146.2156.4-68.2160.1000109.4
1337P46.1Very low37.9Very low128 Ų128123.9 Ų123.983%0.83174%0.736SS**SBendcis-137.9101.7-34.132.9-13.7000111
1338G52.9Low37.6Very low52 Ų52118.8 Ų118.854%0.53672%0.718SS.*  cis-143.3-32.4-1.900000113.1
1339P27.9Very low38Very low128 Ų128116.8 Ų116.883%0.83172%0.715SS**  cis-68.8121.8-47.632.8-29.2000110.6
1340Q40Very low38.2Very low204 Ų204117.8 Ų117.895%0.95373%0.725SS**  trans-25.9120.4171.2176.6-179.8-21.600117.8
1341G32.3Very low38.5Very low65 Ų65114 Ų11467%0.6772%0.719SS**  trans149.5132.3170.800000110.4
1342D31.6Very low39.3Very low165 Ų165112 Ų11288%0.88273%0.727SS**  cis-117.4150.26.7-66.4-46.3000113.2
1343A34.7Very low39.2Very low112 Ų112112.6 Ų112.693%0.92673%0.733SS**  trans-81.3114.3162.300000109.2
1344G40.2Very low39.1Very low64 Ų64117.8 Ų117.866%0.6674%0.737SS**  trans-133.557.4-171.900000114.4
1345F29Very low39Very low170 Ų170117.8 Ų117.875%0.74674%0.737SS**  trans178.8137.4132-99.4-68.2000110.4T253T253-F1345 HydrophobicContact CG2-CE1 4.05Å; T253-F1345 HydrophobicContact CG2-CZ 4.21Å
1346P31.4Very low39Very low111 Ų111118.3 Ų118.372%0.72174%0.742SS**  trans-80.3150-178.4-14.230.7000114.6V1152V1152-P1346 HydrophobicContact CG2-CB 4.02Å
1347G34.6Very low39Very low48 Ų48116.3 Ų116.350%0.49574%0.742SS.*  trans101.6154.5147.400000118.5
1348L34Very low38.5Very low91 Ų91122.2 Ų122.248%0.47675%0.748SS.*  cis-165.4138.4-10.4-141.7155000113.3G1151G1151-L1348 WeakPolarHBondContact O-CD2 2.99Å
1349K41.6Very low37.7Very low160 Ų160122.6 Ų122.670%0.69675%0.752SS**  trans71.7137.4162.2-112.4167.5-178.7164.80119.1
1350G43Very low38.2Very low43 Ų43127.6 Ų127.644%0.44376%0.756SS.*  cis142.5141.4-30.100000118.2
1351T37.9Very low38.5Very low124 Ų124123.7 Ų123.776%0.76175%0.748SS**  trans67.9168.9146.165.60000119.3
1352P54.6Low38.7Very low128 Ų128124.2 Ų124.283%0.83175%0.754SS**  cis-124.1-175.9-10.524.9-1.5000113.5
1353G41.7Very low39Very low71 Ų71126.3 Ų126.373%0.73276%0.755SS**  cis153.1123.4-17.400000117.5
1354R41.6Very low39.4Very low250 Ų250127.2 Ų127.294%0.94375%0.752SS**  trans63.2173.5162.6-76.5-175.6168.7-165.1-3.2118.4
1355P47Very low39.3Very low131 Ų131128.1 Ų128.185%0.85176%0.76SS**  cis-120.2-162.7-4.543-27.9000113.4
1356G40.1Very low39.8Very low68 Ų68124.8 Ų124.870%0.70177%0.765SS**  cis156.8118.8-24.100000118.8
1357S36.1Very low40.1Very low129 Ų129126.9 Ų126.990%0.90277%0.77SS**  trans91.4139.5152.381.40000125.2
1358R37.3Very low40.4Very low253 Ų253127.6 Ų127.696%0.95578%0.777SS**  trans82.7135.7150.6-157.1174.5-171.5172.53123.2
1359G36.2Very low40.3Very low60 Ų60130.6 Ų130.662%0.61979%0.788SS**  trans101142.7164.800000115
1360Y38.2Very low40.4Very low232 Ų232128.8 Ų128.891%0.9179%0.793SS**  cis-146.5165.20.8-87.4-94.8000111
1361P44.9Very low40.4Very low123 Ų123130.8 Ų130.880%0.79981%0.813SS**  trans-107.7156-178.839-32.3000116.2
1362G37.7Very low40.4Very low76 Ų76130.5 Ų130.578%0.78482%0.816SS**  trans104.2132.5137.400000120.4
1363K36.3Very low39.9Very low208 Ų208130.8 Ų130.890%0.90482%0.819SS**  trans-137.6150.9135.3-87.4-164.6175.6-176.10109.4
1364P44.5Very low39.8Very low132 Ų132131.3 Ų131.386%0.85782%0.823SS**  trans-94.5167.2-165.1-2.324.3000113.8
1365G36.9Very low39.5Very low82 Ų82126.9 Ų126.985%0.84581%0.813SS**  trans-96.3-178.517100000113.7
1366A39.8Very low38.9Very low101 Ų101131.3 Ų131.384%0.83581%0.813SS**  trans-118.8136.7173.700000110.7
1367N37.5Very low38.8Very low155 Ų155131.4 Ų131.483%0.82981%0.814SS**  trans-129.2151.5179.3-96.5-9.8000110.3
1368G40.7Very low38.7Very low63 Ų63133.3 Ų133.365%0.64981%0.813SS**  trans152.4100.3176.400000109.6
1369H33Very low38.8Very low153 Ų153127.2 Ų127.271%0.70881%0.809SS**  cis75.3147.145.6-48.6-2.3000113
1370P42.6Very low39Very low123 Ų123127.6 Ų127.680%0.79981%0.814SS**  cis-142.8136.4-4236.5-19.4000115.5
1371G44.8Very low39.1Very low84 Ų84125.6 Ų125.687%0.86681%0.813SS**  trans65.9143141.900000123.1
1372S36.3Very low38.9Very low118 Ų118127.9 Ų127.983%0.82581%0.813SS**  trans-153.9150.3153.460.60000111.5
1373P45.7Very low39.2Very low135 Ų135127.1 Ų127.188%0.87781%0.805SS**  trans-116.5162.4-17840.7-32.3000115
1374G38.2Very low39.7Very low81 Ų81123 Ų12384%0.83580%0.8SS**  trans156.3152.7167.700000114.2
1375E35.4Very low39.7Very low157 Ų157120.9 Ų120.973%0.73479%0.793SS**  trans-110.7158.8178.3-57.8-168165.500114.7
1376R34.5Very low40.1Very low225 Ų225120 Ų12085%0.84978%0.784SS**  trans79.4123.7138.1-153.7179.7-59.5-1512.2120.1
1377G38.1Very low40Very low70 Ų70121 Ų12172%0.72278%0.776SS**  trans178149.3166.700000110.6
1378L33.9Very low40.2Very low168 Ų168124.4 Ų124.488%0.8878%0.777SS**  trans-142.2151.4-171.2-87.1170.7000114.1
1379S39.6Very low40Very low125 Ų125124.9 Ų124.987%0.87478%0.781SS**  trans62.5147.9161.149.40000118.9
1380G40Very low40.5Very low69 Ų69128.4 Ų128.471%0.71179%0.789SS**  cis-134-138.7-1.100000112.3
1381E40.1Very low40.4Very low190 Ų190129.4 Ų129.489%0.88879%0.787SS**  cis-153.1-173.41.7-92-147.171.600111.1
1382Q41.9Very low39.9Very low171 Ų171128.4 Ų128.480%0.79978%0.777SS**  trans-57.5150165.8177.1173.2-116.100111
1383G44Very low39.8Very low60 Ų60132.6 Ų132.662%0.61978%0.776SS**  cis102.9-174.52000000110.7
1384P46.1Very low39.3Very low122 Ų122135.4 Ų135.479%0.79278%0.775SS**  cis-76-162.3-5.838.5-39.8000110.7
1385A45.3Very low38.9Very low87 Ų87134.7 Ų134.772%0.71977%0.767SS**  cis-148.1178.511.100000109.6
1386G45.4Very low38.7Very low64 Ų64135 Ų13566%0.6677%0.772SS**  cis88.4123.417.500000110.8
1387D36.4Very low39Very low122 Ų122128.6 Ų128.665%0.65276%0.76SS**  cis-146.6159.22-100.8-1000107.2
1388R41.4Very low38.9Very low225 Ų225127 Ų12785%0.84974%0.744SS**  cis-161175.2-10.6-112.5165.1176138.7-5.5104.7
1389G38Very low38.9Very low73 Ų73124.5 Ų124.575%0.75373%0.727SS**  cis178.4-168.97.100000105.8
1390R43Very low38.8Very low228 Ų228128.2 Ų128.286%0.8673%0.728SS**  cis-139.9110.7-1177.2-172.6-171.3178.24.6107.3
1391D39.3Very low38.8Very low143 Ų143128.2 Ų128.277%0.76573%0.728SS**  trans55111.9149.5-39.7-29.5000121.1
1392G35.3Very low38.6Very low63 Ų63127.7 Ų127.765%0.64973%0.726SS**  trans-80.2-170.4137.900000110.6
1393Y35Very low38.4Very low206 Ų206131.4 Ų131.481%0.80873%0.732SS**  cis-170.8165.132.9-110.1-72.3000112.8
1394F33.5Very low38.2Very low195 Ų195132.1 Ų132.186%0.85574%0.74SS**  trans64.1125.9147.9-81.4-58.3000125.1
1395G31Very low37.8Very low65 Ų65134.3 Ų134.367%0.6774%0.744SS**  trans172.1143.6153.900000106.4
1396I30.8Very low37.4Very low164 Ų164138.3 Ų138.384%0.84175%0.753SS**  cis-151.2154.5-1.9-46.7168.9000105.5
1397P41.5Very low37Very low90 Ų90138.6 Ų138.658%0.58476%0.756SS**  trans-114.5125.5156.24.117.1000112.6A806A806-P1397 WeakPolarHBondContact O-CB 3.47Å
1398G36.3Very low37Very low38 Ų38143.1 Ų143.139%0.39277%0.77SS.*  trans-171.1107173.600000114.2P803P803-G1398 WeakPolarHBondContact O-CA 3.26Å
1399Q33.2Very low37Very low114 Ų114138.1 Ų138.153%0.53377%0.767SS.*  trans171.6148.8130.5-98.6-172.65500113.8P803P803-Q1399 HydrophobicContact CB-CG 4.28Å; P803-Q1399 HydrophobicContact CG-CG 3.39Å
1400K36.6Very low37.1Very low203 Ų203138.4 Ų138.488%0.88377%0.77SS**  trans-147.4128.5147.1178.7-177.8176.5-178.30110.3
1401G40Very low36.8Very low70 Ų70135.4 Ų135.472%0.72277%0.769SS**  trans119.463.9151.100000117.4
1402E35.8Very low36.7Very low178 Ų178134.6 Ų134.683%0.83277%0.772SS**  trans-83.2124.9164.5-69.5-166.2146.500112.7
1403R39.4Very low36.9Very low249 Ų249134.9 Ų134.994%0.9478%0.775SS**  trans-160117.2137.5-177179-65.8-162.50.3110
1404G39.8Very low37.4Very low75 Ų75132.2 Ų132.277%0.77377%0.774SS**  trans16467.617500000112
1405L36.9Very low37.6Very low168 Ų168129 Ų12988%0.8877%0.773SS**  trans-79119.9169.9-71.8172.2000109.4
1406D36.1Very low37.8Very low171 Ų171129.3 Ų129.391%0.91478%0.776SS**  -172.3144.1129.8-100-25.1000111.8
1407G37.9Very low38.2Very low70 Ų70128.3 Ų128.372%0.72277%0.768SS**  trans93.7101.7164.800000117.8
1408F35.6Very low38Very low218 Ų218135.6 Ų135.696%0.95678%0.784SS**PPolyproline II helixtrans-103.7117.2163.6-86.8-80000111.7
1409P42.6Very low38.5Very low119 Ų119135.7 Ų135.777%0.77379%0.785SS**PPolyproline II helixtrans-103.7121.91593.218000110.6
1410G40.5Very low38.7Very low80 Ų80136.2 Ų136.283%0.82579%0.791SS**PPolyproline II helixtrans-91.4152.2-17700000115.1
1411I35.6Very low39.3Very low164 Ų164136.5 Ų136.584%0.84179%0.787SS**  trans-142.3178.5176.3-12.2177.7000110.5
1412P37.8Very low39.1Very low126 Ų126134.4 Ų134.482%0.81877%0.765SS**  -111.1178.6-115.640.9-25.9000115
1413G38.2Very low38.9Very low70 Ų70130.3 Ų130.372%0.72275%0.749SS**  trans-111.9155.7-165.900000118.9
1414L46Very low39.2Very low149 Ų149124.2 Ų124.278%0.7873%0.734SS**  trans69134.2154.5-65.5166000119
1415P38.4Very low39.5Very low129 Ų129123 Ų12384%0.83872%0.72SS**  -146.71619839.2-25000116.8
1416G35.6Very low39.5Very low71 Ų71120.9 Ų120.973%0.73272%0.717SS**  trans89.6108.8146.200000118.9
1417Q38.5Very low40.1Very low143 Ų143118.9 Ų118.967%0.66871%0.713SS**  trans-75.3155.2172.2-66.7163.1-4900113.4P835 K836P835-Q1417 HydrophobicContact CB-CG 4.38Å; K836-Q1417 PolarHBondContact O-NE2 3.48Å
1418R36.8Very low40Very low242 Ų242118.7 Ų118.791%0.91371%0.711SS**  trans-134.3139.9140172.9169.4-83.2-165.7-5.3108.1
1419G46.8Very low40.2Very low40 Ų40114.9 Ų114.941%0.41271%0.708SS.*  trans-90.6160.2-171.400000116G837G837-G1419 CarbonylContact O-C 3.53Å; G837-G1419 WeakPolarHBondContact O-CA 3.14Å
1420D37.7Very low40.1Very low126 Ų126115.9 Ų115.967%0.67471%0.706SS**  trans-79.9138.9178.4-59.7-60.7000111.5G837 R839G837-D1420 PolarHBondContact O-N 3.49Å; G837-D1420 VanDerWaalsContact O-N 3.1Å; R839-D1420 PolarHBondContact N-O 3.09Å
1421R49.5Very low40Very low209 Ų209118.8 Ų118.879%0.78970%0.702SS**  trans-113.7111.7-168.4-179.7-169.8177.5-166-0.7112.9
1422G34.9Very low40.1Very low25 Ų25119.4 Ų119.426%0.25870%0.695SS.*  -98.6172.7117.600000107.8G840G840-G1422 VanDerWaalsContact CA-O 3.27Å; G840-G1422 WeakPolarHBondContact CA-O 3.49Å; G840-G1422 PolarHBondContact N-O 2.95Å
1423D31.5Very low40.2Very low93 Ų93119.2 Ų119.250%0.49769%0.692SS.*  cis-168-164.7-7.1-116.98.1000107.1G840 S842G840-D1423 VanDerWaalsContact O-CB 3.28Å; G840-D1423 WeakPolarHBondContact O-CB 3.03Å; G840-D1423 PolarHBondContact O-N 2.94Å; S842-D1423 PolarHBondContact N-OD2 2.81Å; S842-D1423 WeakPolarHBondContact O-CB 3.44Å
1424I45.7Very low40.2Very low121 Ų121124.8 Ų124.862%0.62170%0.697SS**  trans-122.8107.9-169.1-57.3177.9000113.3S842S842-I1424 PolarHBondContact O-N 2.89Å; S842-I1424 PolarHBondContact OG-O 2.81Å; S842-I1424 VanDerWaalsContact OG-O 3.1Å
1425G47.4Very low39.9Very low48 Ų48124 Ų12450%0.49570%0.698SS.*PPolyproline II helixtrans-65.1154.3173.300000114.2S842S842-G1425 PolarHBondContact OG-N 3.38Å
1426P36.2Very low40.4Very low124 Ų124121.9 Ų121.981%0.80568%0.684SS**PPolyproline II helixtrans-73149.9-167.828.8-35.9000114.1
1427P49.3Very low40.4Very low130 Ų130120.6 Ų120.684%0.84467%0.671SS**PPolyproline II helixtrans-83.8149.1-166.8-12.430.7000115.6
1428G35.3Very low40.8Very low66 Ų66117.7 Ų117.768%0.6866%0.664SS**PPolyproline II helixtrans-85.8172159.300000112.8
1429P41Very low40.7Very low137 Ų137113 Ų11389%0.8966%0.662SS**PPolyproline II helixtrans-81.7172.1-154.631.3-37000117.6
1430I38.6Very low40.8Very low141 Ų141114.2 Ų114.272%0.72368%0.675SS**PPolyproline II helixtrans-91.3145-165.1-52.6155.2000112.3Y1432I1430-Y1432 HydrophobicContact CG2-CE1 4.41Å
1431D39.4Very low41.1Very low140 Ų140113.9 Ų113.975%0.74968%0.68SS**  trans-156.1-178.2136.4-149-91.9000111.1
1432Y36.6Very low41Very low178 Ų178110.3 Ų110.370%0.69868%0.683SS**  trans-113163.3-155.9-46.8-89.1000113.3I1430I1430-Y1432 HydrophobicContact CG2-CE1 4.41Å
1433T40.8Very low41.7Very low122 Ų122112.3 Ų112.375%0.74870%0.704SS**  cis-169.3152.944.936.30000114.1
1434K37.8Very low42.7Very low187 Ų187113.8 Ų113.881%0.81372%0.719SS**  trans25.2153.3138.3-57.5175.8-178.7176.50122.9
1435T40.1Very low42.7Very low131 Ų131114.1 Ų114.180%0.80473%0.729SS**  cis-170.3169.9-16.428.60000110.2
1436P48.2Very low42.5Very low85 Ų85115.7 Ų115.755%0.55275%0.745SS**  trans-120.7178.8-162.334.6-17.1000119.6F970F970-P1436 CarbonylContact O-C 3.56Å; F970-P1436 WeakPolarHBondContact O-CG 3.23Å
1437G36.9Very low42.8Very low44 Ų44118.9 Ų118.945%0.45475%0.75SS.*  trans-163.2155.4171.900000115.8A971 G972A971-G1437 CarbonylContact O-C 3.5Å; A971-G1437 WeakPolarHBondContact O-CA 3.23Å; A971-G1437 PolarHBondContact O-N 2.97Å; A971-G1437 VanDerWaalsContact O-O 3.13Å; G972-G1437 WeakPolarHBondContact CA-O 3.23Å
1438P45.6Very low42.8Very low82 Ų82118.9 Ų118.953%0.53275%0.749SS.*  -124.2177-127.139.8-29.5000119.4F970 A971F970-P1438 HydrophobicContact CB-CB 4.47Å; A971-P1438 WeakPolarHBondContact O-CA 3.33Å; A971-P1438 VanDerWaalsContact O-CB 3.23Å; A971-P1438 WeakPolarHBondContact O-CB 3.33Å
1439V35.4Very low43.2Very low143 Ų143119.3 Ų119.387%0.86775%0.754SS**  trans153.5149.4135.6161.80000114
1440G49.2Very low43Very low66 Ų66118.8 Ų118.868%0.6875%0.754SS**  trans159.3115.6162.400000114.9
1441P42.9Very low43Very low120 Ų120121.4 Ų121.478%0.77976%0.763SS**PPolyproline II helixtrans-85.7165.1-174.733.9-35.8000115.1
1442P48.9Very low43.2Very low133 Ų133117.7 Ų117.786%0.86476%0.758SS**PPolyproline II helixtrans-66.4152.6178.6-20.133.9000114.4
1443G48.6Very low43.6Very low67 Ų67115 Ų11569%0.69176%0.762SS**PPolyproline II helixtrans-89.4169.2-172.200000116.5
1444P52.9Low43.9Very low124 Ų124115.1 Ų115.181%0.80577%0.765SS**PPolyproline II helixtrans-75.8150.6-178.931.5-35.7000113.3
1445P45.4Very low43.8Very low128 Ų128110 Ų11083%0.83177%0.765SS**PPolyproline II helixtrans-62.7155.2166.1-2134.2000112.8
1446G42.6Very low44.1Very low82 Ų82112.3 Ų112.385%0.84577%0.772SS**PPolyproline II helixtrans-85.5150.3-170.400000116
1447E42.7Very low44.1Very low191 Ų191112.6 Ų112.689%0.89378%0.781SS**PPolyproline II helixtrans-91.5156.1174-61.5-176.2134.100112.4
1448P50Low44.2Very low129 Ų129114.3 Ų114.384%0.83880%0.799SS**  trans-106.1125.3-16811.311000114.7
1449G44Very low44Very low75 Ų75120.4 Ų120.477%0.77382%0.817SS**  trans93.7133.1142.600000119
1450S36.4Very low44.6Very low127 Ų127124.8 Ų124.889%0.88882%0.818SS**  trans-166167.214737.90000110.2
1451Q38.1Very low44.3Very low196 Ų196125.2 Ų125.292%0.91682%0.822SS**PPolyproline II helixtrans-73.6141.5-167-163.7169-200112.9
1452G43.8Very low44.2Very low62 Ų62127.8 Ų127.864%0.63983%0.829SS**PPolyproline II helixtrans-81.2173.2-164.900000117.3
1453P45Very low44.3Very low122 Ų122127.8 Ų127.879%0.79283%0.826SS**PPolyproline II helixtrans-73.4151179.530.8-35.4000112.9
1454P47.2Very low44.5Very low124 Ų124127 Ų12781%0.80582%0.818SS**PPolyproline II helixtrans-63.1157.8179.7-24.134.9000115.1
1455G36.8Very low44.1Very low80 Ų80127.1 Ų127.183%0.82582%0.819SS**PPolyproline II helixtrans-62.8138.3178.700000113.9
1456L45.1Very low44.5Very low179 Ų179127 Ų12794%0.93782%0.818SS**PPolyproline II helixtrans-80.8132.8177.1-72.1171.1000111.5
1457A48.6Very low44.8Very low91 Ų91126.4 Ų126.475%0.75281%0.812SS**PPolyproline II helixtrans-64.2145.5-170.700000114.4K1459A1457-K1459 PolarHBondContact O-N 3.39Å
1458G39.6Very low44.7Very low80 Ų80124.3 Ų124.383%0.82581%0.812SS**PPolyproline II helixtrans-59.8118.9-178.900000113.3R1460G1458-R1460 PolarHBondContact O-N 3.38Å
1459K41.7Very low44.2Very low210 Ų210129.1 Ų129.191%0.91381%0.813SS**  trans-79.787.9178.9-72.3-175.5178.4176.40111.6A1457A1457-K1459 PolarHBondContact O-N 3.39Å
1460R46.5Very low44.5Very low235 Ų235128.5 Ų128.589%0.88781%0.806SS**  trans27.2108.7147.8-168.6-177-128.9177.63.4115.6G1458 L1462G1458-R1460 PolarHBondContact O-N 3.38Å; R1460-L1462 PolarHBondContact O-N 2.9Å
1461G44.4Very low44.7Very low75 Ų75127.3 Ų127.377%0.77381%0.805SS**PPolyproline II helixtrans-51.313517400000112.8
1462L40.6Very low44.7Very low174 Ų174129 Ų12991%0.91180%0.802SS**PPolyproline II helixtrans-69.3138173.3-82.6165000110.1R1460R1460-L1462 PolarHBondContact O-N 2.9Å
1463T50.4Low45Very low133 Ų133129 Ų12982%0.81680%0.803SS**PPolyproline II helixtrans-51137.4-175.6-30.50000112
1464G53Low44.8Very low49 Ų49132.2 Ų132.251%0.50581%0.807SS.*PPolyproline II helixtrans-57.9159.9162.800000111.2
1465P45.1Very low44.5Very low128 Ų128130.8 Ų130.883%0.83181%0.806SS**PPolyproline II helixtrans-54.5133.7177.924.1-33.8000109.8G1467P1465-G1467 PolarHBondContact O-N 2.76Å
1466P53.3Low44.9Very low125 Ų125130.7 Ų130.781%0.81281%0.805SS**PPolyproline II helixtrans-52.5126.1179.8-28.135.4000110.9V1468P1466-V1468 PolarHBondContact O-N 3.04Å
1467G48.8Very low44.9Very low69 Ų69129.8 Ų129.871%0.71180%0.8SS**PPolyproline II helixtrans-53.9133.2178.200000110.3P1465 R1469P1465-G1467 PolarHBondContact O-N 2.76Å; G1467-R1469 PolarHBondContact O-N 3Å; G1467-R1469 VanDerWaalsContact O-N 3.12Å
1468V40Very low44.6Very low148 Ų148130.5 Ų130.590%0.89780%0.799SS**PPolyproline II helixtrans-49.5122.6-176.1-172.80000108.9P1466 G1470P1466-V1468 PolarHBondContact O-N 3.04Å; V1468-G1470 PolarHBondContact O-N 2.8Å
1469R40.9Very low44.7Very low230 Ų230130.2 Ų130.287%0.86880%0.797SS**  trans-57.2106.7-169.7-171.1-177.8-164.7166.97.3109.9G1467 A1471G1467-R1469 PolarHBondContact O-N 3Å; G1467-R1469 VanDerWaalsContact O-N 3.12Å; R1469-A1471 PolarHBondContact O-N 3.42Å
1470G49.8Very low45.2Very low61 Ų61128 Ų12863%0.62979%0.793SS**  trans-51.7140.4172.400000110V1468 R1472V1468-G1470 PolarHBondContact O-N 2.8Å; G1470-R1472 PolarHBondContact O-N 3.27Å
1471A40Very low45.3Very low103 Ų103122.8 Ų122.885%0.85179%0.79SS**  trans-52137.4-176.500000110.5R1469 G1473R1469-A1471 PolarHBondContact O-N 3.42Å; A1471-G1473 VanDerWaalsContact C-N 3.33Å; A1471-G1473 PolarHBondContact O-N 2.98Å
1472R39.1Very low44.9Very low231 Ų231122.6 Ų122.687%0.87279%0.788SS**  trans-67.590.9-178.6-178.1-175.5179.7178.9-0.9109.6G1470G1470-R1472 PolarHBondContact O-N 3.27Å
1473G48.6Very low45.1Very low63 Ų63125.9 Ų125.965%0.64979%0.789SS**  trans-56143158.800000109.7A1471A1471-G1473 VanDerWaalsContact C-N 3.33Å; A1471-G1473 PolarHBondContact O-N 2.98Å
1474E41.3Very low44.8Very low188 Ų188125.8 Ų125.888%0.87979%0.79SS**  trans-72.8158.1-175-61.3-175.3129.700111.7G1476E1474-G1476 PolarHBondContact O-N 3.03Å
1475A41.3Very low44.1Very low94 Ų94126.6 Ų126.678%0.77780%0.798SS**  trans-77.8108-168.300000112.3
1476G46Very low44.1Very low78 Ų78128.9 Ų128.980%0.80480%0.803SS**  trans-65.5132.516000000110.6E1474E1474-G1476 PolarHBondContact O-N 3.03Å
1477L44.5Very low43.9Very low161 Ų161129.1 Ų129.184%0.84380%0.804SS**  trans-83.4128.8-169.1-82.1161.6000113.9
1478S41.2Very low43.9Very low105 Ų105129.2 Ų129.273%0.73481%0.805SS**  trans49.4116.4146.860.50000120.9
1479G42.7Very low44.2Very low75 Ų75128.7 Ų128.777%0.77381%0.805SS**  trans-120.8130.4141.200000109.1
1480I50.9Low44.7Very low162 Ų162127.6 Ų127.683%0.83181%0.807SS**  trans-88.1128.9-170.5-57.7174.9000110.8
1481P49.2Very low44.6Very low126 Ų126128 Ų12882%0.81881%0.811SS**  trans-86.9145.9178.8-7.826.1000114.5
1482G35.8Very low44.7Very low72 Ų72131.9 Ų131.974%0.74282%0.816SS**  trans149.5143.3165.300000112.6
1483R46.3Very low44.9Very low243 Ų243129.3 Ų129.392%0.91781%0.814SS**  cis-141.3148.84.4-60.2176.2173.9-176.2-2.9110.8
1484P42.5Very low45.1Very low130 Ų130129.1 Ų129.184%0.84481%0.812SS**  trans-74.7154.6149.834.5-32.4000109.6
1485G39.3Very low45.5Very low66 Ų66127.7 Ų127.768%0.6881%0.81SS**  cis168.9147.7-5.400000108.3
1486L45.2Very low46.3Very low177 Ų177127.9 Ų127.993%0.92781%0.812SS**  trans-125.9130.1-178-71.5175.2000111.4
1487P48.3Very low46.7Very low129 Ų129127.2 Ų127.284%0.83881%0.805SS**  trans-94.2137.5-176-2.623000114.7
1488G48.7Very low47.1Very low72 Ų72130.6 Ų130.674%0.74281%0.808SS**  trans82.8158.916800000114.9
1489P45.8Very low48.4Very low136 Ų136131.4 Ų131.488%0.88381%0.811SS**  cis-107.9-178.321.140.1-34.4000115.1
1490K52Low49.2Very low208 Ų208131.1 Ų131.190%0.90481%0.808SS**  trans-89116.9-176-171.5179.2-176.5-178.70111.7
1491G47.5Very low49.5Very low70 Ų70133.2 Ų133.272%0.72281%0.811SS**  trans-88.8156.8172.600000113.4
1492L42.9Very low50Low183 Ų183135.7 Ų135.796%0.95881%0.814SS**  trans-87.7174.6175.3-80.1163.3000112.2
1493H42.2Very low51.2Low177 Ų177135.1 Ų135.182%0.81981%0.808SS**  trans-60.2140.8-172.5-151.672.9000112.7
1494G52.8Low51.9Low60 Ų60132.4 Ų132.462%0.61981%0.808SS**  trans-127.5143.4164.900000108.4
1495D50.2Low53.2Low157 Ų157131.8 Ų131.884%0.8480%0.804SS**  trans-62.1146-164.1-59.2-72.1000114.3G1497D1495-G1497 PolarHBondContact O-N 3.44Å
1496A57.8Low54.5Low98 Ų98132 Ų13281%0.8181%0.806SS**  trans-69.2103.7-17600000111.8
1497G54.7Low55.7Low64 Ų64131.5 Ų131.566%0.6680%0.804SS**PPolyproline II helixtrans-57.4140164.200000110.9D1495D1495-G1497 PolarHBondContact O-N 3.44Å
1498Y54Low56.9Low232 Ų232131.1 Ų131.191%0.9180%0.801SS**PPolyproline II helixtrans-48.9126-177.5-69.1-82.3000111.9G1500Y1498-G1500 PolarHBondContact O-N 3.21Å; Y1498-G1500 VanDerWaalsContact O-N 3.11Å
1499P67.5Low58Low122 Ų122130.5 Ų130.579%0.79280%0.795SS**PPolyproline II helixtrans-55120.5172.4-26.535.2000110.3K1501P1499-K1501 PolarHBondContact O-N 2.98Å
1500G60.3Low59.3Low69 Ų69129.7 Ų129.771%0.71179%0.79SS**PPolyproline II helixtrans-55.2135.5175.200000109.8Y1498 M1502Y1498-G1500 PolarHBondContact O-N 3.21Å; Y1498-G1500 VanDerWaalsContact O-N 3.11Å; G1500-M1502 PolarHBondContact O-N 3.25Å
1501K57.3Low60.4Low207 Ų207125.9 Ų125.990%0.979%0.786SS**PPolyproline II helixtrans-49.9119.8-179.4-72.9-176.6177.8179.90109.2P1499 G1503P1499-K1501 PolarHBondContact O-N 2.98Å; K1501-G1503 PolarHBondContact O-N 3Å; K1501-G1503 VanDerWaalsContact O-N 3.11Å
1502M58.1Low61.5Low177 Ų177125.8 Ų125.887%0.87279%0.786SS**PPolyproline II helixtrans-51.5121.4175.9-171.6-176.2-61.500108.2G1500 M1504G1500-M1502 PolarHBondContact O-N 3.25Å; M1502-M1504 PolarHBondContact O-N 3.4Å
1503G61.5Low62.8Low61 Ų61128 Ų12863%0.62978%0.783SS**PPolyproline II helixtrans-55.4135.5177.100000109K1501K1501-G1503 PolarHBondContact O-N 3Å; K1501-G1503 VanDerWaalsContact O-N 3.11Å
1504M60.4Low64.2Low185 Ų185125.4 Ų125.491%0.91178%0.782SS**PPolyproline II helixtrans-50.4130.9176.6-81-177.6161.500109M1502 G1506M1502-M1504 PolarHBondContact O-N 3.4Å; M1504-G1506 PolarHBondContact O-N 2.89Å; M1504-G1506 VanDerWaalsContact O-N 3.14Å
1505P70.2Confident64.7Low117 Ų117125.8 Ų125.876%0.7679%0.785SS**PPolyproline II helixtrans-49.6126.2172.3-27.635.2000109.1L1507P1505-L1507 PolarHBondContact O-N 2.76Å
1506G67.8Low65.4Low70 Ų70124.8 Ų124.872%0.72279%0.785SS**PPolyproline II helixtrans-53.4133.4178.800000109.2M1504M1504-G1506 PolarHBondContact O-N 2.89Å; M1504-G1506 VanDerWaalsContact O-N 3.14Å
1507L68.9Low65.4Low167 Ų167125.6 Ų125.687%0.87478%0.782SS**PPolyproline II helixtrans-46.6129.1178.7-77.6169000109.1P1505 G1509P1505-L1507 PolarHBondContact O-N 2.76Å; L1507-G1509 PolarHBondContact O-N 2.85Å; L1507-G1509 VanDerWaalsContact O-N 3.13Å
1508P73.8Confident64.9Low121 Ų121125.9 Ų125.979%0.78679%0.785SS**PPolyproline II helixtrans-48.8126177.2-2935.3000109.5
1509G73Confident64.6Low60 Ų60121.5 Ų121.562%0.61978%0.782SS**PPolyproline II helixtrans-52.1137.3-178.500000109.6L1507L1507-G1509 PolarHBondContact O-N 2.85Å; L1507-G1509 VanDerWaalsContact O-N 3.13Å
1510P72.9Confident63.4Low119 Ų119126.5 Ų126.577%0.77379%0.785SS**PPolyproline II helixtrans-53.3135.2-177.722.9-33.6000108.8G1512P1510-G1512 PolarHBondContact O-N 2.87Å; P1510-G1512 VanDerWaalsContact O-N 3.11Å
1511P75.5Confident62.7Low127 Ų127125.8 Ų125.883%0.82578%0.777SS**PPolyproline II helixtrans-48124.7-177.9-3035.3000110.3Y1513P1511-Y1513 PolarHBondContact O-N 3.45Å
1512G69.6Low62.4Low69 Ų69127.4 Ų127.471%0.71178%0.778SS**PPolyproline II helixtrans-51.7136.2-177.600000109.9P1510P1510-G1512 PolarHBondContact O-N 2.87Å; P1510-G1512 VanDerWaalsContact O-N 3.11Å
1513Y69.4Low62.1Low228 Ų228124.7 Ų124.789%0.89477%0.766SS**PPolyproline II helixtrans-46.6130.9179.3-71.2-79.8000109.6P1511 G1515P1511-Y1513 PolarHBondContact O-N 3.45Å; Y1513-G1515 PolarHBondContact O-N 3.17Å; Y1513-G1515 VanDerWaalsContact O-N 3.13Å
1514P71.6Confident61.8Low124 Ų124122.9 Ų122.981%0.80575%0.746SS**PPolyproline II helixtrans-48.6126.5176-28.234.9000109.3V1516P1514-V1516 PolarHBondContact O-N 3.24Å
1515G64.1Low61.7Low67 Ų67119.3 Ų119.369%0.69174%0.736SS**PPolyproline II helixtrans-50.7135.3-178.200000109.7Y1513 P1517Y1513-G1515 PolarHBondContact O-N 3.17Å; Y1513-G1515 VanDerWaalsContact O-N 3.13Å; G1515-P1517 WeakPolarHBondContact O-CD 3.37Å; G1515-P1517 VanDerWaalsContact O-N 3.09Å
1516V64.2Low61.4Low136 Ų136116.6 Ų116.682%0.82472%0.72SS**PPolyproline II helixtrans-50.1122.9178-176.70000107.2P1514 G1518P1514-V1516 PolarHBondContact O-N 3.24Å; V1516-G1518 PolarHBondContact O-N 3.02Å; V1516-G1518 VanDerWaalsContact O-N 3.12Å
1517P57.9Low61.7Low115 Ų115120.4 Ų120.475%0.74771%0.712SS**PPolyproline II helixtrans-49.4125.6-176.2-30.335.5000109.8G1515 V1519G1515-P1517 WeakPolarHBondContact O-CD 3.37Å; G1515-P1517 VanDerWaalsContact O-N 3.09Å; P1517-V1519 PolarHBondContact O-N 2.83Å
1518G45.4Very low62.4Low70 Ų70114.4 Ų114.472%0.72269%0.691SS**PPolyproline II helixtrans-49131.4-171.600000110.3V1516 R1520V1516-G1518 PolarHBondContact O-N 3.02Å; V1516-G1518 VanDerWaalsContact O-N 3.12Å; G1518-R1520 PolarHBondContact O-N 3.42Å
1519V47Very low63.3Low140 Ų140112.1 Ų112.185%0.84867%0.669SS**  trans-51.4112.6-179.6177.80000107.2P1517 G1521P1517-V1519 PolarHBondContact O-N 2.83Å; V1519-G1521 WeakPolarHBondContact O-CA 3.23Å; V1519-G1521 PolarHBondContact O-N 3.16Å
1520R42.6Very low64.3Low227 Ų227113.5 Ų113.586%0.85766%0.658SS**  trans-41.5113.3-167-173.1-177.6-169.3179.23.5109G1518 R1522G1518-R1520 PolarHBondContact O-N 3.42Å; R1520-R1522 PolarHBondContact O-N 2.94Å
1521G44.8Very low65.4Low54 Ų54107.9 Ų107.956%0.55762%0.622SS**  trans-45.6136.4-160.500000112.2V1519 L1523V1519-G1521 WeakPolarHBondContact O-CA 3.23Å; V1519-G1521 PolarHBondContact O-N 3.16Å; G1521-L1523 PolarHBondContact O-N 2.53Å
1522R50.8Low66.5Low241 Ų241101.9 Ų101.991%0.90958%0.583SS**  trans-48.4136.2173-75.3-172.5173-151.7-1107.8R1520 A1524R1520-R1522 PolarHBondContact O-N 2.94Å; R1522-A1524 PolarHBondContact O-N 3.22Å
1523L52.4Low67.8Low121 Ų121100.6 Ų100.663%0.63456%0.556SS**SBendtrans-41.5121.1176.8-79.1163.8000108.9G1521G1521-L1523 PolarHBondContact O-N 2.53Å
1524A56Low69.2Low23 Ų2390.2 Ų90.219%0.1952%0.516CS..  trans-51.9133.3-165.500000109.8R1522 S1526 P1637R1522-A1524 PolarHBondContact O-N 3.22Å; A1524-S1526 PolarHBondContact O-N 2.78Å; A1524-P1637 HydrophobicContact CB-CB 4.1Å
1525P58.8Low70.4Confident110 Ų11085.6 Ų85.671%0.71449%0.487SS*.  trans-54.6138.6-174.222.8-33.7000110R1527P1525-R1527 PolarHBondContact O-N 3.13Å
1526S63.8Low72Confident60 Ų6082.4 Ų82.442%0.4245%0.454SS..  trans-45.7125.5-168.2178.30000112.4A1524 G1528 E1635A1524-S1526 PolarHBondContact O-N 2.78Å; S1526-G1528 VanDerWaalsContact C-N 3.33Å; S1526-G1528 PolarHBondContact OG-N 3.17Å; S1526-E1635 VanDerWaalsContact CB-CD 3.5Å; S1526-E1635 WeakPolarHBondContact CB-OE1 3.28Å; S1526-E1635 VanDerWaalsContact OG-CG 3.3Å; S1526-E1635 WeakPolarHBondContact OG-CG 3.4Å; S1526-E1635 PolarHBondContact OG-OE1 3.22Å
1527R73.3Confident73.6Confident149 Ų14977.7 Ų77.756%0.56243%0.426SS*.  trans-95.614.7178.5-64.6-170.1174.2-171.1-1.4112.6P1525 F1529P1525-R1527 PolarHBondContact O-N 3.13Å; R1527-F1529 VanDerWaalsContact C-N 3.29Å; R1527-F1529 HydrophobicContact CB-CD2 3.83Å; R1527-F1529 HydrophobicContact CB-CE2 3.74Å; R1527-F1529 PolarHBondContact O-N 2.78Å
1528G83Confident75.5Confident42 Ų4275.9 Ų75.943%0.43341%0.412SS..SBendtrans7219.1179.700000114.5S1526 F1530S1526-G1528 VanDerWaalsContact C-N 3.33Å; S1526-G1528 PolarHBondContact OG-N 3.17Å; G1528-F1530 WeakPolarHBondContact O-CD2 3.13Å; G1528-F1530 WeakPolarHBondContact O-CE2 3.15Å
1529F92.6Very high77.9Confident73 Ų7377.5 Ų77.532%0.3241%0.405SS..EExtended strand (participates in β ladder)trans-82.9140.4166.5-60-66.5000109.3R1527 L1636 T1638 Q1639R1527-F1529 VanDerWaalsContact C-N 3.29Å; R1527-F1529 HydrophobicContact CB-CD2 3.83Å; R1527-F1529 HydrophobicContact CB-CE2 3.74Å; R1527-F1529 PolarHBondContact O-N 2.78Å; F1529-L1636 VanDerWaalsContact C-CD2 3.5Å; F1529-L1636 HydrophobicContact CB-CD2 3.94Å; F1529-L1636 HydrophobicContact CB-CG 3.9Å; F1529-L1636 WeakPolarHBondContact O-CD2 3.36Å; F1529-L1636 PolarHBondContact O-N 3.38Å; F1529-T1638 WeakPolarHBondContact CB-O 3.3Å; F1529-T1638 VanDerWaalsContact CD2-C 3.44Å; F1529-T1638 WeakPolarHBondContact CG-O 3.35Å; F1529-Q1639 HydrophobicContact CD1-CG 4.19Å; F1529-Q1639 HydrophobicContact CE1-CG 3.63Å; F1529-Q1639 HydrophobicContact CZ-CG 3.85Å
1530F94.9Very high80.4Confident89 Ų8973.8 Ų73.839%0.3938%0.382SS..EExtended strand (participates in β ladder)trans-143.9150178.4-46.3-70000110G1528 L1550 P1573 V1633 C1634 E1635G1528-F1530 WeakPolarHBondContact O-CD2 3.13Å; G1528-F1530 WeakPolarHBondContact O-CE2 3.15Å; F1530-L1550 HydrophobicContact CD1-CD1 3.5Å; F1530-L1550 HydrophobicContact CE1-CD1 3.67Å; F1530-L1550 HydrophobicContact CG-CD1 4.45Å; F1530-P1573 HydrophobicContact CB-CG 3.81Å; F1530-V1633 HydrophobicContact CB-CG1 4.45Å; F1530-C1634 CarbonylContact C-O 3.57Å; F1530-C1634 VanDerWaalsContact CA-O 3.25Å; F1530-C1634 WeakPolarHBondContact CA-O 3.43Å; F1530-E1635 HydrophobicContact CD1-CB 3.91Å; F1530-E1635 HydrophobicContact CD1-CG 4.26Å; F1530-E1635 HydrophobicContact CE1-CB 4.08Å; F1530-E1635 HydrophobicContact CE1-CG 4.02Å
1531F96.3Very high82.9Confident1 Ų163.6 Ų63.60%0.00435%0.345CS..EExtended strand (participates in β ladder)trans-140.4155.916365-87000112.2R1533 P1544 T1547 G1571 V1633 C1634 L1636 I1640 W1661 P1684F1531-R1533 HydrophobicContact CD2-CB 4.35Å; F1531-R1533 HydrophobicContact CE2-CB 4.08Å; F1531-P1544 HydrophobicContact CE2-CG 4.43Å; F1531-P1544 HydrophobicContact CZ-CG 3.92Å; F1531-T1547 HydrophobicContact CE1-CG2 4.25Å; F1531-T1547 HydrophobicContact CZ-CG2 4.5Å; F1531-G1571 CarbonylContact C-O 3.52Å; F1531-G1571 WeakPolarHBondContact CA-O 3.48Å; F1531-G1571 VanDerWaalsContact CB-O 3.29Å; F1531-G1571 WeakPolarHBondContact CB-O 3.41Å; F1531-V1633 WeakPolarHBondContact O-CA 3.31Å; F1531-C1634 HydrophobicContact CD1-CB 4.48Å; F1531-C1634 HydrophobicContact CE1-CB 3.91Å; F1531-C1634 HydrophobicContact CE2-CB 4.11Å; F1531-C1634 HydrophobicContact CZ-CB 3.7Å; F1531-C1634 PolarHBondContact N-O 3.04Å; F1531-C1634 PolarHBondContact O-N 3.38Å; F1531-L1636 HydrophobicContact CD1-CD1 3.86Å; F1531-L1636 HydrophobicContact CD1-CD2 3.42Å; F1531-L1636 VanDerWaalsContact CD1-CD2 3.42Å; F1531-L1636 HydrophobicContact CD1-CG 4.25Å; F1531-L1636 HydrophobicContact CE1-CB 4.49Å; F1531-L1636 HydrophobicContact CE1-CD1 3.88Å; F1531-L1636 HydrophobicContact CE1-CD2 3.76Å; F1531-L1636 HydrophobicContact CE1-CG 4.28Å; F1531-I1640 HydrophobicContact CB-CG2 4.07Å; F1531-I1640 HydrophobicContact CD1-CD1 3.58Å; F1531-I1640 HydrophobicContact CD1-CG2 3.85Å; F1531-I1640 HydrophobicContact CD2-CD1 4.25Å; F1531-I1640 HydrophobicContact CE1-CD1 3.59Å; F1531-I1640 HydrophobicContact CE2-CD1 4.25Å; F1531-I1640 HydrophobicContact CG-CD1 3.94Å; F1531-I1640 HydrophobicContact CG-CG2 4.21Å; F1531-I1640 HydrophobicContact CZ-CD1 3.94Å; F1531-W1661 AromaticContact CD2-CH2 3.86Å; F1531-W1661 HydrophobicContact CD2-CH2 3.86Å; F1531-W1661 HydrophobicContact CD2-CZ3 4.09Å; F1531-W1661 AromaticContact CE2-CH2 3.83Å; F1531-W1661 HydrophobicContact CE2-CH2 3.83Å; F1531-W1661 AromaticContact CE2-CZ3 3.58Å; F1531-W1661 HydrophobicContact CE2-CZ3 3.58Å; F1531-W1661 HydrophobicContact CZ-CZ3 4.26Å; F1531-P1684 HydrophobicContact CB-CG 4.42Å
1532A97.7Very high85.4Confident1 Ų168.9 Ų68.91%0.00836%0.355CS..EExtended strand (participates in β ladder)trans-90.2142164.900000110.6G1571 L1572 S1575 C1576 V1632 V1633A1532-G1571 PolarHBondContact N-O 2.04Å; A1532-L1572 WeakPolarHBondContact CB-O 3.3Å; A1532-S1575 WeakPolarHBondContact CB-OG 3.5Å; A1532-C1576 HydrophobicContact CB-CB 4.27Å; A1532-V1632 WeakPolarHBondContact CA-O 3.27Å; A1532-V1633 HydrophobicContact CB-CG2 4.37Å
1533R97.8Very high87.5Confident41 Ų4158.8 Ų58.816%0.15532%0.321CS..EExtended strand (participates in β ladder)trans-125.1135169.5-175-178.4-178.4-174.58.8109F1531 P1541 Q1542 C1631 V1632 W1661 E1689F1531-R1533 HydrophobicContact CD2-CB 4.35Å; F1531-R1533 HydrophobicContact CE2-CB 4.08Å; R1533-P1541 HydrophobicContact CG-CB 4.29Å; R1533-P1541 VanDerWaalsContact O-CG 3.23Å; R1533-P1541 WeakPolarHBondContact O-CG 3.42Å; R1533-Q1542 PolarHBondContact NH1-O 3.35Å; R1533-C1631 CarbonylContact O-C 3.53Å; R1533-C1631 WeakPolarHBondContact O-CA 3.18Å; R1533-C1631 VanDerWaalsContact O-CB 3.26Å; R1533-C1631 WeakPolarHBondContact O-CB 3.39Å; R1533-V1632 HydrophobicContact CB-CG1 4.09Å; R1533-V1632 PolarHBondContact N-O 3.4Å; R1533-V1632 PolarHBondContact O-N 2.86Å; R1533-W1661 HydrophobicContact CB-CH2 4.36Å; R1533-W1661 HydrophobicContact CG-CH2 4.23Å; R1533-W1661 HydrophobicContact CG-CZ3 4.26Å; R1533-E1689 IonicContact CZ-OE1 3.93Å; R1533-E1689 VanDerWaalsContact CZ-OE1 3.27Å; R1533-E1689 IonicContact CZ-OE2 3.92Å; R1533-E1689 IonicContact NE-OE1 2.81Å; R1533-E1689 PolarHBondContact NE-OE1 2.91Å; R1533-E1689 IonicContact NH2-OE1 2.67Å; R1533-E1689 PolarHBondContact NH2-OE1 2.04Å; R1533-E1689 IonicContact NH2-OE2 3.13Å; R1533-E1689 PolarHBondContact NH2-OE2 3.49Å
1534H98Very high89.3Confident11 Ų1153.8 Ų53.85%0.05130%0.296CS..EExtended strand (participates in β ladder)trans-115.4130.1-174.4-61.1-88.9000110.6S1555 L1570 S1575 L1606 C1631H1534-S1555 WeakPolarHBondContact ND1-CB 3.14Å; H1534-S1555 PolarHBondContact ND1-OG 2.83Å; H1534-L1570 PolarHBondContact CD2-O 3Å; H1534-L1570 PolarHBondContact NE2-O 2.88Å; H1534-S1575 PolarHBondContact CE1-OG 2.79Å; H1534-S1575 PolarHBondContact NE2-OG 2.72Å; H1534-S1575 VanDerWaalsContact NE2-OG 3.16Å; H1534-L1606 HydrophobicContact CB-CD1 3.74Å; H1534-C1631 WeakPolarHBondContact ND1-CB 3.15Å
1535S97.2Very high90.8Very high26 Ų2658.3 Ų58.318%0.18233%0.327CS..  trans-79.8-23.6-17854.40000113.5T1537 D1539 R1630S1535-T1537 PolarHBondContact O-N 3.19Å; S1535-T1537 PolarHBondContact OG-N 3.11Å; S1535-T1537 PolarHBondContact OG-O 3.21Å; S1535-T1537 VanDerWaalsContact OG-O 3.1Å; S1535-T1537 PolarHBondContact OG-OG1 2.86Å; S1535-D1539 WeakPolarHBondContact CB-O 3.36Å; S1535-D1539 PolarHBondContact OG-O 3.02Å; S1535-R1630 PolarHBondContact N-O 2.73Å; S1535-R1630 PolarHBondContact OG-O 3.5Å
1536Q97.3Very high91.8Very high0 Ų054.4 Ų54.40%031%0.306CS..SBendtrans54.828.9-166.8-50.3174.3-10200111.9T1608 S1629 L1688 D1690 R1692Q1536-T1608 WeakPolarHBondContact O-CA 3.44Å; Q1536-S1629 VanDerWaalsContact CA-OG 3.23Å; Q1536-S1629 WeakPolarHBondContact CA-OG 3.48Å; Q1536-S1629 PolarHBondContact N-OG 3.41Å; Q1536-L1688 HydrophobicContact CG-CD2 4.42Å; Q1536-D1690 PolarHBondContact NE2-O 3.44Å; Q1536-D1690 PolarHBondContact OE1-O 3.25Å; Q1536-R1692 VanDerWaalsContact CB-NH2 3.3Å; Q1536-R1692 PolarHBondContact O-NH1 2.7Å; Q1536-R1692 PolarHBondContact O-NH2 2.76Å
1537T97.7Very high93.1Very high38 Ų3852.6 Ų52.623%0.23329%0.293CS..SBendtrans-141.9176.5173.874.50000110.8S1535 D1539 T1608 S1629 R1630S1535-T1537 PolarHBondContact O-N 3.19Å; S1535-T1537 PolarHBondContact OG-N 3.11Å; S1535-T1537 PolarHBondContact OG-O 3.21Å; S1535-T1537 VanDerWaalsContact OG-O 3.1Å; S1535-T1537 PolarHBondContact OG-OG1 2.86Å; T1537-D1539 PolarHBondContact O-N 3.28Å; T1537-D1539 PolarHBondContact OG1-N 3.09Å; T1537-D1539 VanDerWaalsContact OG1-N 3.12Å; T1537-D1539 PolarHBondContact OG1-OD2 3.43Å; T1537-T1608 VanDerWaalsContact C-CG2 3.44Å; T1537-S1629 WeakPolarHBondContact O-CA 3.44Å; T1537-R1630 PolarHBondContact O-N 2.86Å
1538T97.5Very high93.9Very high77 Ų7748 Ų4847%0.47228%0.283SS..SBendtrans-70.2-10.7171.544.30000114T1608 P1626 R1630T1538-T1608 HydrophobicContact CG2-CG2 4.25Å; T1538-P1626 WeakPolarHBondContact CG2-O 3.21Å; T1538-R1630 WeakPolarHBondContact O-CG 3.26Å
1539D97.5Very high94.5Very high104 Ų10451.6 Ų51.656%0.55629%0.289SS*.SBendtrans-93.4141.7-174.4-43.3-62.2000110.4S1535 T1537 P1541 R1630S1535-D1539 WeakPolarHBondContact CB-O 3.36Å; S1535-D1539 PolarHBondContact OG-O 3.02Å; T1537-D1539 PolarHBondContact O-N 3.28Å; T1537-D1539 PolarHBondContact OG1-N 3.09Å; T1537-D1539 VanDerWaalsContact OG1-N 3.12Å; T1537-D1539 PolarHBondContact OG1-OD2 3.43Å; D1539-P1541 WeakPolarHBondContact O-CD 3.38Å; D1539-R1630 WeakPolarHBondContact O-CB 3.06Å
1540V98Very high94.6Very high61 Ų6151.6 Ų51.637%0.3729%0.291SS..PPolyproline II helixtrans-70.4123.4176.9172.70000109.5V1552 R1630 V1632V1540-V1552 HydrophobicContact CG1-CB 4.06Å; V1540-V1552 HydrophobicContact CG1-CG1 3.5Å; V1540-V1552 HydrophobicContact CG2-CB 4.3Å; V1540-V1552 HydrophobicContact CG2-CG1 4.5Å; V1540-R1630 HydrophobicContact CG2-CB 4.33Å; V1540-R1630 HydrophobicContact CG2-CG 4.4Å; V1540-V1632 HydrophobicContact CG1-CB 4.48Å
1541P96.7Very high94.8Very high13 Ų1351 Ų518%0.08429%0.287CS..PPolyproline II helixtrans-67.9145.3175.526.2-29.2000110.7R1533 D1539 V1632R1533-P1541 HydrophobicContact CG-CB 4.29Å; R1533-P1541 VanDerWaalsContact O-CG 3.23Å; R1533-P1541 WeakPolarHBondContact O-CG 3.42Å; D1539-P1541 WeakPolarHBondContact O-CD 3.38Å; P1541-V1632 HydrophobicContact CB-CG1 4.47Å; P1541-V1632 HydrophobicContact CG-CB 4.32Å; P1541-V1632 HydrophobicContact CG-CG1 4.02Å; P1541-V1632 WeakPolarHBondContact O-CB 3.11Å; P1541-V1632 VanDerWaalsContact O-CG1 3.23Å; P1541-V1632 WeakPolarHBondContact O-CG1 3.46Å
1542Q96Very high94.9Very high165 Ų16553.2 Ų53.277%0.77130%0.3SS*.PPolyproline II helixtrans-83.3143.7179-68.1-177.3-11.200111.9R1533R1533-Q1542 PolarHBondContact NH1-O 3.35Å
1543C95.6Very high94.9Very high29 Ų2953.1 Ų53.120%0.19630%0.3CS..PPolyproline II helixtrans-66.5133.5169.7-770000111T1547 V1632 C1634C1543-T1547 WeakPolarHBondContact CB-OG1 3.3Å; C1543-V1632 VanDerWaalsContact SG-CG2 3.58Å; C1543-C1634 WeakPolarHBondContact CA-SG 3.29Å; C1543-C1634 HydrophobicContact CB-CB 3.99Å; C1543-C1634 WeakPolarHBondContact CB-SG 3.28Å; C1543-C1634 WeakPolarHBondContact SG-CB 3.43Å; C1543-C1634 CovalentContact SG-SG 2.04Å; C1543-C1634 PolarHBondContact SG-SG 2.91Å
1544P90.6Very high94.9Very high17 Ų1753.5 Ų53.511%0.1130%0.302CS..PPolyproline II helixtrans-58.3156.2177.6-2635000114.5F1531 G1546 T1547 V1660F1531-P1544 HydrophobicContact CE2-CG 4.43Å; F1531-P1544 HydrophobicContact CZ-CG 3.92Å; P1544-G1546 PolarHBondContact O-N 2.98Å; P1544-T1547 HydrophobicContact CB-CG2 4.4Å; P1544-T1547 WeakPolarHBondContact CD-OG1 3.36Å; P1544-T1547 WeakPolarHBondContact O-CB 3.12Å; P1544-T1547 PolarHBondContact O-N 3.12Å; P1544-T1547 PolarHBondContact O-OG1 3.01Å; P1544-V1660 HydrophobicContact CB-CG1 3.5Å; P1544-V1660 HydrophobicContact CG-CG1 3.28Å
1545S85.8Confident94.9Very high118 Ų11853 Ų5383%0.82530%0.299SS*.THydrogen-bonded Turntrans-56.5127.7176.1-54.30000111.8
1546G81.6Confident95Very high27 Ų2752.3 Ų52.328%0.27829%0.294SS..THydrogen-bonded Turntrans90.96.5-175.100000115P1544 P1637P1544-G1546 PolarHBondContact O-N 2.98Å; G1546-P1637 WeakPolarHBondContact O-CD 3.25Å
1547T89.9Confident95Very high23 Ų2352.3 Ų52.314%0.14129%0.294CS..  trans-123.3148177.372.50000111.3F1531 C1543 P1544 E1635 L1636 M1749F1531-T1547 HydrophobicContact CE1-CG2 4.25Å; F1531-T1547 HydrophobicContact CZ-CG2 4.5Å; C1543-T1547 WeakPolarHBondContact CB-OG1 3.3Å; P1544-T1547 HydrophobicContact CB-CG2 4.4Å; P1544-T1547 WeakPolarHBondContact CD-OG1 3.36Å; P1544-T1547 WeakPolarHBondContact O-CB 3.12Å; P1544-T1547 PolarHBondContact O-N 3.12Å; P1544-T1547 PolarHBondContact O-OG1 3.01Å; T1547-E1635 CarbonylContact C-O 3.49Å; T1547-E1635 WeakPolarHBondContact CA-O 3.43Å; T1547-E1635 WeakPolarHBondContact CB-O 3.46Å; T1547-L1636 HydrophobicContact CG2-CB 3.7Å; T1547-M1749 HydrophobicContact CG2-SD 4.01Å
1548S91Very high95Very high52 Ų5250.5 Ų50.536%0.36428%0.282SS..EExtended strand (participates in β ladder)trans-98.5137.7179.120.20000111C1634 E1635S1548-C1634 CarbonylContact O-C 3.55Å; S1548-C1634 VanDerWaalsContact O-CA 3.24Å; S1548-C1634 WeakPolarHBondContact O-CA 3.49Å; S1548-E1635 PolarHBondContact N-O 3.34Å; S1548-E1635 PolarHBondContact O-N 3.09Å; S1548-E1635 WeakPolarHBondContact OG-CB 3.14Å; S1548-E1635 PolarHBondContact OG-O 3.03Å; S1548-E1635 PolarHBondContact OG-OE2 3.19Å
1549Q95Very high94.9Very high117 Ų11749 Ų4955%0.54727%0.271SS..EExtended strand (participates in β ladder)trans-76.3128.9171176.5179.7-71.400110.5V1632Q1549-V1632 HydrophobicContact CB-CG2 4.41Å; Q1549-V1632 HydrophobicContact CG-CG2 3.64Å
1550L95.1Very high94.7Very high73 Ų7344.3 Ų44.338%0.38225%0.246SC..EExtended strand (participates in β ladder)trans-95-58170.5-60.7-175.3000112F1530 V1633 E1635F1530-L1550 HydrophobicContact CD1-CD1 3.5Å; F1530-L1550 HydrophobicContact CE1-CD1 3.67Å; F1530-L1550 HydrophobicContact CG-CD1 4.45Å; L1550-V1633 HydrophobicContact CD1-CG1 4.35Å; L1550-V1633 PolarHBondContact N-O 3.38Å; L1550-E1635 HydrophobicContact CD1-CB 4.08Å; L1550-E1635 HydrophobicContact CD2-CB 3.92Å; L1550-E1635 HydrophobicContact CG-CB 3.9Å
1551W97.7Very high94.4Very high76 Ų7642.5 Ų42.529%0.28824%0.239SC..EExtended strand (participates in β ladder)trans-151.1170.3175.572.388.4000112.7P1573 C1576 Q1578 V1632 V1633W1551-P1573 HydrophobicContact CH2-CB 3.72Å; W1551-P1573 HydrophobicContact CZ2-CB 3.81Å; W1551-C1576 PolarHBondContact NE1-O 3.17Å; W1551-Q1578 HydrophobicContact CB-CG 4.49Å; W1551-Q1578 HydrophobicContact CG-CG 4.09Å; W1551-V1632 WeakPolarHBondContact O-CA 3.27Å; W1551-V1632 WeakPolarHBondContact O-CG2 3.22Å; W1551-V1633 HydrophobicContact CD2-CB 4Å; W1551-V1633 HydrophobicContact CD2-CG2 4.13Å; W1551-V1633 HydrophobicContact CE3-CB 4.2Å; W1551-V1633 HydrophobicContact CE3-CG1 4.39Å; W1551-V1633 HydrophobicContact CH2-CB 4.23Å; W1551-V1633 HydrophobicContact CH2-CG1 3.95Å; W1551-V1633 HydrophobicContact CH2-CG2 4.19Å; W1551-V1633 HydrophobicContact CZ2-CB 4.05Å; W1551-V1633 HydrophobicContact CZ2-CG1 4.2Å; W1551-V1633 HydrophobicContact CZ2-CG2 3.57Å; W1551-V1633 HydrophobicContact CZ3-CB 4.29Å; W1551-V1633 HydrophobicContact CZ3-CG1 4.04Å; W1551-V1633 PolarHBondContact O-N 3.4Å
1552V98.4Very high94Very high48 Ų4847.5 Ų47.529%0.29127%0.265SS..EExtended strand (participates in β ladder)trans-122.6143.4179.6-61.20000109.8V1540 C1631 V1632V1540-V1552 HydrophobicContact CG1-CB 4.06Å; V1540-V1552 HydrophobicContact CG1-CG1 3.5Å; V1540-V1552 HydrophobicContact CG2-CB 4.3Å; V1540-V1552 HydrophobicContact CG2-CG1 4.5Å; V1552-C1631 WeakPolarHBondContact CA-O 3.43Å; V1552-V1632 HydrophobicContact CG1-CG2 4.04Å
1553G98.1Very high93.5Very high0 Ų041.8 Ų41.80%025%0.25CS..EExtended strand (participates in β ladder)trans-155-169.8-170.200000114.5L1577 R1630 C1631G1553-L1577 CarbonylContact C-O 3.56Å; G1553-L1577 VanDerWaalsContact CA-O 3.24Å; G1553-L1577 WeakPolarHBondContact CA-O 3.33Å; G1553-R1630 CarbonylContact O-C 3.41Å; G1553-R1630 WeakPolarHBondContact O-CA 3.39Å; G1553-R1630 PolarHBondContact O-NE 3.47Å; G1553-R1630 PolarHBondContact O-NH1 3.44Å; G1553-C1631 PolarHBondContact N-O 3.31Å; G1553-C1631 PolarHBondContact O-N 3.4Å; G1553-C1631 PolarHBondContact O-SG 3.35Å; G1553-C1631 VanDerWaalsContact O-SG 3.38Å
1554Y98.6Very high93.3Very high49 Ų4947.9 Ų47.919%0.19227%0.274CS..EExtended strand (participates in β ladder)trans-108.6146.1173.8-59.1-87.7000109.5L1556 L1577 F1580 I1628 R1630 C1631Y1554-L1556 PolarHBondContact O-N 2.66Å; Y1554-L1556 VanDerWaalsContact O-N 3.17Å; Y1554-L1577 PolarHBondContact N-O 3.48Å; Y1554-L1577 PolarHBondContact O-N 3.32Å; Y1554-L1577 VanDerWaalsContact O-N 3.13Å; Y1554-F1580 HydrophobicContact CD1-CB 4.03Å; Y1554-F1580 HydrophobicContact CD2-CB 3.59Å; Y1554-F1580 HydrophobicContact CE1-CB 4.23Å; Y1554-F1580 HydrophobicContact CE2-CB 3.8Å; Y1554-F1580 HydrophobicContact CG-CB 3.69Å; Y1554-I1628 HydrophobicContact CD1-CB 4.35Å; Y1554-I1628 HydrophobicContact CD1-CG2 3.78Å; Y1554-I1628 HydrophobicContact CG-CG2 4.32Å; Y1554-R1630 VanDerWaalsContact CE1-NH1 3.3Å; Y1554-C1631 VanDerWaalsContact C-SG 3.58Å
1555S98.5Very high93.4Very high0 Ų048.6 Ų48.60%028%0.279CS..EExtended strand (participates in β ladder)trans-8687.1-166.2-53.90000112.1H1534 S1575 W1605 L1606 S1629 R1630H1534-S1555 WeakPolarHBondContact ND1-CB 3.14Å; H1534-S1555 PolarHBondContact ND1-OG 2.83Å; S1555-S1575 CarbonylContact C-O 2.81Å; S1555-S1575 WeakPolarHBondContact CA-O 3.47Å; S1555-W1605 CarbonylContact O-C 3.47Å; S1555-W1605 WeakPolarHBondContact O-CA 3.33Å; S1555-L1606 PolarHBondContact O-N 3.27Å; S1555-S1629 VanDerWaalsContact CB-O 3.3Å; S1555-S1629 WeakPolarHBondContact CB-O 3.42Å; S1555-S1629 PolarHBondContact N-O 3.21Å; S1555-S1629 VanDerWaalsContact OG-C 3.28Å; S1555-S1629 WeakPolarHBondContact OG-CB 3.48Å; S1555-S1629 PolarHBondContact OG-O 3.04Å; S1555-S1629 PolarHBondContact OG-OG 2.95Å; S1555-R1630 PolarHBondContact OG-O 3.49Å; S1555-R1630 VanDerWaalsContact OG-O 3.13Å
1556L98.3Very high93.8Very high12 Ų1245.5 Ų45.56%0.06326%0.261CS..EExtended strand (participates in β ladder)trans-70.7130.4171179.367.5000109.6Y1554 I1559 Q1568 S1575 L1577 W1605Y1554-L1556 PolarHBondContact O-N 2.66Å; Y1554-L1556 VanDerWaalsContact O-N 3.17Å; L1556-I1559 HydrophobicContact CD1-CG2 4.01Å; L1556-I1559 HydrophobicContact CD2-CG2 4.27Å; L1556-Q1568 HydrophobicContact CD2-CG 4.03Å; L1556-S1575 PolarHBondContact N-O 3.17Å; L1556-S1575 WeakPolarHBondContact O-CA 3.25Å; L1556-S1575 WeakPolarHBondContact O-CB 3.39Å; L1556-L1577 HydrophobicContact CB-CD1 4.33Å; L1556-L1577 HydrophobicContact CB-CG 4.25Å; L1556-L1577 HydrophobicContact CD2-CD1 3.75Å; L1556-L1577 HydrophobicContact CD2-CG 4.16Å; L1556-W1605 HydrophobicContact CB-CE3 4.14Å; L1556-W1605 HydrophobicContact CB-CH2 4.31Å; L1556-W1605 HydrophobicContact CB-CZ3 3.93Å; L1556-W1605 HydrophobicContact CD1-CD2 4.35Å; L1556-W1605 HydrophobicContact CD1-CH2 4.37Å; L1556-W1605 HydrophobicContact CD1-CZ2 4.1Å
1557L97.3Very high94.4Very high0 Ų045.4 Ų45.40%026%0.26CS..EExtended strand (participates in β ladder)trans-101.4-55.6175.7-175.967.5000110.8Q1568 L1570 Y1604 L1606 F1666 H1669 F1696L1557-Q1568 PolarHBondContact O-N 2.82Å; L1557-L1570 HydrophobicContact CD1-CD1 3.73Å; L1557-L1570 HydrophobicContact CD1-CD2 3.88Å; L1557-L1570 HydrophobicContact CD1-CG 3.93Å; L1557-Y1604 WeakPolarHBondContact CB-O 3.33Å; L1557-Y1604 PolarHBondContact N-O 2.99Å; L1557-L1606 HydrophobicContact CD1-CD2 4.24Å; L1557-F1666 HydrophobicContact CD1-CE1 4.11Å; L1557-F1666 HydrophobicContact CD1-CZ 4.46Å; L1557-H1669 VanDerWaalsContact CG-CE1 3.48Å; L1557-H1669 WeakPolarHBondContact CG-CE1 3.34Å; L1557-F1696 HydrophobicContact CD2-CB 3.57Å; L1557-F1696 HydrophobicContact CD2-CD1 3.99Å; L1557-F1696 HydrophobicContact CD2-CD2 4.33Å; L1557-F1696 HydrophobicContact CD2-CG 3.71Å
1558Y96.8Very high94.7Very high0 Ų048 Ų480%027%0.27CS..EExtended strand (participates in β ladder)trans-156.2162.717372.3-74.7000112.2A1566 Y1604 H1669 A1671 E1675Y1558-A1566 WeakPolarHBondContact CA-O 3.42Å; Y1558-A1566 WeakPolarHBondContact CB-O 3.27Å; Y1558-Y1604 AromaticContact CD1-CD2 3.66Å; Y1558-Y1604 HydrophobicContact CD1-CD2 3.66Å; Y1558-Y1604 AromaticContact CD1-CG 3.64Å; Y1558-Y1604 HydrophobicContact CD1-CG 3.64Å; Y1558-Y1604 AromaticContact CD2-CD2 3.54Å; Y1558-Y1604 HydrophobicContact CD2-CD2 3.54Å; Y1558-Y1604 AromaticContact CD2-CE2 3.87Å; Y1558-Y1604 HydrophobicContact CD2-CE2 3.87Å; Y1558-Y1604 HydrophobicContact CD2-CG 4.36Å; Y1558-Y1604 AromaticContact CE1-CD1 3.74Å; Y1558-Y1604 HydrophobicContact CE1-CD1 3.74Å; Y1558-Y1604 AromaticContact CE1-CD2 3.38Å; Y1558-Y1604 HydrophobicContact CE1-CD2 3.38Å; Y1558-Y1604 HydrophobicContact CE1-CE1 4.3Å; Y1558-Y1604 HydrophobicContact CE1-CE2 4Å; Y1558-Y1604 AromaticContact CE1-CG 3.21Å; Y1558-Y1604 HydrophobicContact CE1-CG 3.21Å; Y1558-Y1604 AromaticContact CE2-CD2 3.29Å; Y1558-Y1604 HydrophobicContact CE2-CD2 3.29Å; Y1558-Y1604 AromaticContact CE2-CE2 3.24Å; Y1558-Y1604 HydrophobicContact CE2-CE2 3.24Å; Y1558-Y1604 HydrophobicContact CE2-CG 4.04Å; Y1558-Y1604 AromaticContact CE2-CZ 3.94Å; Y1558-Y1604 AromaticContact CG-CD2 3.74Å; Y1558-Y1604 HydrophobicContact CG-CD2 3.74Å; Y1558-Y1604 HydrophobicContact CG-CG 4.21Å; Y1558-Y1604 AromaticContact CZ-CD1 3.84Å; Y1558-Y1604 AromaticContact CZ-CD2 3.24Å; Y1558-Y1604 AromaticContact CZ-CE1 3.92Å; Y1558-Y1604 AromaticContact CZ-CE2 3.35Å; Y1558-Y1604 AromaticContact CZ-CG 3.48Å; Y1558-Y1604 VanDerWaalsContact CZ-CG 3.48Å; Y1558-Y1604 AromaticContact CZ-CZ 3.67Å; Y1558-Y1604 PolarHBondContact N-O 2.89Å; Y1558-Y1604 PolarHBondContact O-N 2.95Å; Y1558-H1669 AromaticContact CD1-CD2 3.46Å; Y1558-H1669 VanDerWaalsContact CD1-CD2 3.46Å; Y1558-H1669 WeakPolarHBondContact CD1-CD2 3.46Å; Y1558-H1669 AromaticContact CD1-NE2 3.1Å; Y1558-H1669 WeakPolarHBondContact CD1-NE2 3.26Å; Y1558-H1669 AromaticContact CE1-CD2 3.19Å; Y1558-H1669 WeakPolarHBondContact CE1-CD2 3.43Å; Y1558-H1669 AromaticContact CE1-NE2 3.41Å; Y1558-H1669 WeakPolarHBondContact CE1-NE2 3.39Å; Y1558-H1669 AromaticContact CG-NE2 3.79Å; Y1558-H1669 AromaticContact CZ-CD2 3.93Å; Y1558-A1671 WeakPolarHBondContact OH-CB 2.9Å; Y1558-A1671 PolarHBondContact OH-N 2.9Å; Y1558-E1675 PolarHBondContact OH-O 3.4Å
1559I95.6Very high95Very high45 Ų4546.8 Ų46.823%0.23126%0.259CS..EExtended strand (participates in β ladder)trans-111155.9167.667173.7000109.5L1556 S1565 A1566 F1585 T1603L1556-I1559 HydrophobicContact CD1-CG2 4.01Å; L1556-I1559 HydrophobicContact CD2-CG2 4.27Å; I1559-S1565 CarbonylContact O-C 3.6Å; I1559-S1565 WeakPolarHBondContact O-CA 3.37Å; I1559-A1566 HydrophobicContact CG1-CB 4.01Å; I1559-A1566 PolarHBondContact N-O 3.48Å; I1559-A1566 PolarHBondContact O-N 3.06Å; I1559-F1585 HydrophobicContact CB-CD1 3.97Å; I1559-F1585 HydrophobicContact CB-CE1 3.68Å; I1559-F1585 HydrophobicContact CB-CZ 4.4Å; I1559-F1585 HydrophobicContact CD1-CD1 3.93Å; I1559-F1585 HydrophobicContact CD1-CE1 4.19Å; I1559-F1585 HydrophobicContact CD1-CG 4.1Å; I1559-F1585 HydrophobicContact CG1-CE1 4.4Å; I1559-F1585 HydrophobicContact CG2-CD1 3.96Å; I1559-F1585 HydrophobicContact CG2-CE1 4.09Å; I1559-T1603 HydrophobicContact CB-CG2 4.17Å; I1559-T1603 HydrophobicContact CG2-CG2 3.68Å
1560Q94.5Very high95.1Very high6 Ų641.2 Ų41.23%0.02823%0.234CC..EExtended strand (participates in β ladder)trans-135.5108.1173.8-175.7179.78.200109.6G1563 K1564 Y1602 Y1604 A1672Q1560-G1563 PolarHBondContact NE2-O 3.07Å; Q1560-K1564 CarbonylContact C-O 3.29Å; Q1560-K1564 VanDerWaalsContact CA-O 3.24Å; Q1560-K1564 WeakPolarHBondContact CA-O 3.35Å; Q1560-Y1602 HydrophobicContact CB-CD2 4.37Å; Q1560-Y1602 HydrophobicContact CG-CD2 4.31Å; Q1560-Y1602 PolarHBondContact N-O 3.38Å; Q1560-Y1602 PolarHBondContact O-N 2.87Å; Q1560-Y1604 HydrophobicContact CB-CE2 3.94Å; Q1560-Y1604 PolarHBondContact OE1-OH 3.37Å; Q1560-A1672 PolarHBondContact NE2-O 3.25Å
1561G91.1Very high95.2Very high23 Ų2337.9 Ų37.924%0.23722%0.216CC..EExtended strand (participates in β ladder)trans-120.8136.4-176.700000111.3G1563 K1564 D1601G1561-G1563 PolarHBondContact O-N 3.26Å; G1561-G1563 VanDerWaalsContact O-N 3.14Å; G1561-K1564 PolarHBondContact N-O 2.96Å; G1561-K1564 PolarHBondContact O-N 3.41Å; G1561-D1601 WeakPolarHBondContact CA-OD1 3.24Å
1562D87.8Confident95.2Very high118 Ų11839 Ų3963%0.63123%0.227SC*.THydrogen-bonded Turntrans51.436.3-176.1-154.452.3000112.1K1564 R1599 D1601D1562-K1564 VanDerWaalsContact C-N 3.33Å; D1562-K1564 PolarHBondContact O-N 3.04Å; D1562-R1599 IonicContact OD1-CZ 2.72Å; D1562-R1599 IonicContact OD1-NH1 3.69Å; D1562-R1599 PolarHBondContact OD1-NH1 3.29Å; D1562-D1601 PolarHBondContact N-OD1 3.31Å
1563G86.2Confident95.1Very high44 Ų4438.2 Ų38.245%0.45422%0.224SC..THydrogen-bonded Turntrans84-18.8-177.600000116.2Q1560 G1561 E1675Q1560-G1563 PolarHBondContact NE2-O 3.07Å; G1561-G1563 PolarHBondContact O-N 3.26Å; G1561-G1563 VanDerWaalsContact O-N 3.14Å; G1563-E1675 WeakPolarHBondContact O-CG 3.26Å
1564K90.8Very high95.1Very high158 Ų15839.6 Ų39.669%0.68724%0.238SC*.EExtended strand (participates in β ladder)trans-93.1134.5-174.6-67.2176.4-179.3169.80113.1Q1560 G1561 D1562Q1560-K1564 CarbonylContact C-O 3.29Å; Q1560-K1564 VanDerWaalsContact CA-O 3.24Å; Q1560-K1564 WeakPolarHBondContact CA-O 3.35Å; G1561-K1564 PolarHBondContact N-O 2.96Å; G1561-K1564 PolarHBondContact O-N 3.41Å; D1562-K1564 VanDerWaalsContact C-N 3.33Å; D1562-K1564 PolarHBondContact O-N 3.04Å
1565S92.8Very high95Very high32 Ų3237.3 Ų37.322%0.22423%0.229CC..EExtended strand (participates in β ladder)trans-79.6142.4173.352.40000113.5I1559 E1675 G1676I1559-S1565 CarbonylContact O-C 3.6Å; I1559-S1565 WeakPolarHBondContact O-CA 3.37Å; S1565-E1675 WeakPolarHBondContact CB-OE2 3.49Å; S1565-E1675 PolarHBondContact N-OE2 3.1Å; S1565-E1675 PolarHBondContact OG-OE2 3.01Å; S1565-G1676 PolarHBondContact OG-N 3.18Å
1566A94.6Very high95Very high53 Ų5337.4 Ų37.444%0.43823%0.23SC..EExtended strand (participates in β ladder)trans-139.4114.8171.600000109.3Y1558 I1559Y1558-A1566 WeakPolarHBondContact CA-O 3.42Å; Y1558-A1566 WeakPolarHBondContact CB-O 3.27Å; I1559-A1566 HydrophobicContact CG1-CB 4.01Å; I1559-A1566 PolarHBondContact N-O 3.48Å; I1559-A1566 PolarHBondContact O-N 3.06Å
1567G94.2Very high95Very high25 Ų2539.5 Ų39.526%0.25824%0.241SC..EExtended strand (participates in β ladder)trans-92.4164.4-169.800000114.3T1677G1567-T1677 WeakPolarHBondContact CA-OG1 3.09Å
1568Q96Very high95.1Very high77 Ų7745.7 Ų45.736%0.3627%0.27SS..  trans-119.3141.6161.5-63.8-63.9-76.300108.8L1556 L1557 G1574 Q1679L1556-Q1568 HydrophobicContact CD2-CG 4.03Å; L1557-Q1568 PolarHBondContact O-N 2.82Å; Q1568-G1574 VanDerWaalsContact OE1-CA 3.29Å; Q1568-Q1679 PolarHBondContact O-NE2 3.19Å; Q1568-Q1679 VanDerWaalsContact O-NE2 3.16Å
1569D97.7Very high95.1Very high26 Ų2656 Ų5614%0.13931%0.308CS..  trans-78.2127.6170.5-167.8-68.1000109.2G1571 L1572 S1575 D1680 S1683D1569-G1571 PolarHBondContact O-N 3.15Å; D1569-G1571 PolarHBondContact OD1-N 2.88Å; D1569-L1572 HydrophobicContact CB-CB 4.37Å; D1569-L1572 HydrophobicContact CB-CD1 4.05Å; D1569-L1572 HydrophobicContact CB-CG 4.07Å; D1569-L1572 PolarHBondContact O-N 2.93Å; D1569-S1575 WeakPolarHBondContact O-CB 3.42Å; D1569-S1575 PolarHBondContact O-OG 3.07Å; D1569-D1680 PolarHBondContact OD2-N 2.91Å; D1569-S1683 VanDerWaalsContact OD1-CB 3.29Å; D1569-S1683 WeakPolarHBondContact OD1-CB 3.31Å; D1569-S1683 PolarHBondContact OD1-OG 3.01Å
1570L98.2Very high95.2Very high1 Ų156.4 Ų56.41%0.00531%0.309CS..THydrogen-bonded Turntrans-71.3-7.3-176.6-61.5167.3000113H1534 L1557 L1606 F1666 G1685 L1688H1534-L1570 PolarHBondContact CD2-O 3Å; H1534-L1570 PolarHBondContact NE2-O 2.88Å; L1557-L1570 HydrophobicContact CD1-CD1 3.73Å; L1557-L1570 HydrophobicContact CD1-CD2 3.88Å; L1557-L1570 HydrophobicContact CD1-CG 3.93Å; L1570-L1606 HydrophobicContact CD1-CD1 3.93Å; L1570-L1606 HydrophobicContact CD1-CD2 4.16Å; L1570-L1606 HydrophobicContact CD1-CG 4.35Å; L1570-L1606 HydrophobicContact CD2-CD1 3.69Å; L1570-L1606 HydrophobicContact CD2-CG 3.99Å; L1570-L1606 HydrophobicContact CG-CD1 4.41Å; L1570-F1666 HydrophobicContact CD1-CD1 4.09Å; L1570-F1666 HydrophobicContact CD1-CE1 3.86Å; L1570-G1685 VanDerWaalsContact C-CA 3.48Å; L1570-L1688 HydrophobicContact CD1-CD2 4.16Å
1571G97Very high95.2Very high2 Ų258.2 Ų58.22%0.02132%0.322CS..THydrogen-bonded Turntrans-88.4-16.4166.400000112.6F1531 A1532 D1569 S1683F1531-G1571 CarbonylContact C-O 3.52Å; F1531-G1571 WeakPolarHBondContact CA-O 3.48Å; F1531-G1571 VanDerWaalsContact CB-O 3.29Å; F1531-G1571 WeakPolarHBondContact CB-O 3.41Å; A1532-G1571 PolarHBondContact N-O 2.04Å; D1569-G1571 PolarHBondContact O-N 3.15Å; D1569-G1571 PolarHBondContact OD1-N 2.88Å; G1571-S1683 WeakPolarHBondContact CA-OG 3.38Å
1572L96.8Very high95.5Very high99 Ų9958.1 Ų58.152%0.51832%0.317SS..SBendtrans-99.6148.5-177.2-63.5-178.3000112.4A1532 D1569 G1574 S1575A1532-L1572 WeakPolarHBondContact CB-O 3.3Å; D1569-L1572 HydrophobicContact CB-CB 4.37Å; D1569-L1572 HydrophobicContact CB-CD1 4.05Å; D1569-L1572 HydrophobicContact CB-CG 4.07Å; D1569-L1572 PolarHBondContact O-N 2.93Å; L1572-G1574 PolarHBondContact O-N 3.16Å; L1572-S1575 PolarHBondContact O-N 3.34Å; L1572-S1575 PolarHBondContact O-OG 2.93Å
1573P97.2Very high95.9Very high33 Ų3353 Ų5321%0.21429%0.289CS..G310 helixtrans-56.2-25-175.5-28.535.7000116.6F1530 W1551 S1575 C1576 V1633F1530-P1573 HydrophobicContact CB-CG 3.81Å; W1551-P1573 HydrophobicContact CH2-CB 3.72Å; W1551-P1573 HydrophobicContact CZ2-CB 3.81Å; P1573-S1575 PolarHBondContact O-N 3.08Å; P1573-C1576 PolarHBondContact O-N 3.29Å; P1573-V1633 HydrophobicContact CB-CG1 3.93Å; P1573-V1633 HydrophobicContact CB-CG2 4.09Å; P1573-V1633 HydrophobicContact CG-CG1 3.87Å
1574G96.5Very high96.3Very high29 Ų2953.4 Ų53.430%0.29928%0.284SS..G310 helixtrans-66.1-21.3-179.200000114.6Q1568 L1572 C1576Q1568-G1574 VanDerWaalsContact OE1-CA 3.29Å; L1572-G1574 PolarHBondContact O-N 3.16Å; G1574-C1576 PolarHBondContact O-N 3.23Å
1575S98.2Very high96.4Very high0 Ų048 Ų480%026%0.26CS..G310 helixtrans-70.7-11.1169.7630000113.9A1532 H1534 S1555 L1556 D1569 L1572 P1573A1532-S1575 WeakPolarHBondContact CB-OG 3.5Å; H1534-S1575 PolarHBondContact CE1-OG 2.79Å; H1534-S1575 PolarHBondContact NE2-OG 2.72Å; H1534-S1575 VanDerWaalsContact NE2-OG 3.16Å; S1555-S1575 CarbonylContact C-O 2.81Å; S1555-S1575 WeakPolarHBondContact CA-O 3.47Å; L1556-S1575 PolarHBondContact N-O 3.17Å; L1556-S1575 WeakPolarHBondContact O-CA 3.25Å; L1556-S1575 WeakPolarHBondContact O-CB 3.39Å; D1569-S1575 WeakPolarHBondContact O-CB 3.42Å; D1569-S1575 PolarHBondContact O-OG 3.07Å; L1572-S1575 PolarHBondContact O-N 3.34Å; L1572-S1575 PolarHBondContact O-OG 2.93Å; P1573-S1575 PolarHBondContact O-N 3.08Å
1576C98.4Very high96.4Very high2 Ų251 Ų511%0.01427%0.272CS..EExtended strand (participates in β ladder)trans-115.573.1-172.2-1660000112.9A1532 W1551 P1573 G1574 C1631 V1633A1532-C1576 HydrophobicContact CB-CB 4.27Å; W1551-C1576 PolarHBondContact NE1-O 3.17Å; P1573-C1576 PolarHBondContact O-N 3.29Å; G1574-C1576 PolarHBondContact O-N 3.23Å; C1576-C1631 WeakPolarHBondContact CA-SG 3.14Å; C1576-C1631 HydrophobicContact CB-CB 3.94Å; C1576-C1631 WeakPolarHBondContact CB-SG 3.15Å; C1576-C1631 VanDerWaalsContact SG-C 3.52Å; C1576-C1631 WeakPolarHBondContact SG-CB 3.46Å; C1576-C1631 CovalentContact SG-SG 2.04Å; C1576-C1631 PolarHBondContact SG-SG 3.31Å; C1576-V1633 HydrophobicContact CB-CG2 3.59Å
1577L98.3Very high96.2Very high57 Ų5750.7 Ų50.730%0.29827%0.265SS..EExtended strand (participates in β ladder)trans-73.3127.9-179.6-64.7-171.6000111.8G1553 Y1554 L1556 R1579 P1584 W1605G1553-L1577 CarbonylContact C-O 3.56Å; G1553-L1577 VanDerWaalsContact CA-O 3.24Å; G1553-L1577 WeakPolarHBondContact CA-O 3.33Å; Y1554-L1577 PolarHBondContact N-O 3.48Å; Y1554-L1577 PolarHBondContact O-N 3.32Å; Y1554-L1577 VanDerWaalsContact O-N 3.13Å; L1556-L1577 HydrophobicContact CB-CD1 4.33Å; L1556-L1577 HydrophobicContact CB-CG 4.25Å; L1556-L1577 HydrophobicContact CD2-CD1 3.75Å; L1556-L1577 HydrophobicContact CD2-CG 4.16Å; L1577-R1579 PolarHBondContact O-N 3.18Å; L1577-P1584 HydrophobicContact CD1-CB 4.28Å; L1577-W1605 HydrophobicContact CB-CH2 4.35Å; L1577-W1605 HydrophobicContact CB-CZ3 4.42Å; L1577-W1605 HydrophobicContact CD1-CH2 3.98Å
1578Q97.6Very high96.1Very high130 Ų13053.1 Ų53.161%0.60728%0.278SS*.SBendtrans-58.9-32.9-179.7-66.1179.75.500113.2W1551W1551-Q1578 HydrophobicContact CB-CG 4.49Å; W1551-Q1578 HydrophobicContact CG-CG 4.09Å
1579R97Very high95.8Very high215 Ų21552.5 Ų52.581%0.81128%0.277SS*.SBendtrans-115.1133.4178.5-63.9-175.8178.4-166.6-2.4110.3L1577L1577-R1579 PolarHBondContact O-N 3.18Å
1580F97.5Very high95.6Very high55 Ų5559.6 Ų59.624%0.24131%0.314CS..  trans-81.2142.3167.9173.6-102.1000109.8Y1554 T1582 W1605 V1624 I1628Y1554-F1580 HydrophobicContact CD1-CB 4.03Å; Y1554-F1580 HydrophobicContact CD2-CB 3.59Å; Y1554-F1580 HydrophobicContact CE1-CB 4.23Å; Y1554-F1580 HydrophobicContact CE2-CB 3.8Å; Y1554-F1580 HydrophobicContact CG-CB 3.69Å; F1580-T1582 HydrophobicContact CE1-CG2 4.08Å; F1580-T1582 HydrophobicContact CZ-CG2 3.94Å; F1580-W1605 AromaticContact CD2-CD2 3.71Å; F1580-W1605 HydrophobicContact CD2-CD2 3.71Å; F1580-W1605 AromaticContact CD2-CE2 3.65Å; F1580-W1605 AromaticContact CD2-CE3 3.88Å; F1580-W1605 HydrophobicContact CD2-CE3 3.88Å; F1580-W1605 HydrophobicContact CD2-CG 4.34Å; F1580-W1605 AromaticContact CD2-CH2 3.98Å; F1580-W1605 HydrophobicContact CD2-CH2 3.98Å; F1580-W1605 AromaticContact CD2-CZ2 3.8Å; F1580-W1605 HydrophobicContact CD2-CZ2 3.8Å; F1580-W1605 HydrophobicContact CD2-CZ3 4.02Å; F1580-W1605 AromaticContact CE2-CD1 3.79Å; F1580-W1605 AromaticContact CE2-CD2 3.7Å; F1580-W1605 HydrophobicContact CE2-CD2 3.7Å; F1580-W1605 AromaticContact CE2-CE2 3.55Å; F1580-W1605 HydrophobicContact CE2-CE3 4.32Å; F1580-W1605 AromaticContact CE2-CG 3.88Å; F1580-W1605 HydrophobicContact CE2-CG 3.88Å; F1580-W1605 HydrophobicContact CE2-CZ2 4.08Å; F1580-W1605 AromaticContact CE2-NE1 3.6Å; F1580-V1624 HydrophobicContact CE1-CG1 3.82Å; F1580-V1624 HydrophobicContact CZ-CG1 3.63Å; F1580-I1628 HydrophobicContact CD2-CD1 4.29Å; F1580-I1628 HydrophobicContact CD2-CG1 4Å; F1580-I1628 HydrophobicContact CD2-CG2 3.95Å; F1580-I1628 HydrophobicContact CE2-CD1 3.57Å; F1580-I1628 HydrophobicContact CE2-CG1 3.7Å; F1580-I1628 HydrophobicContact CE2-CG2 4.28Å; F1580-I1628 HydrophobicContact CZ-CD1 3.92Å; F1580-I1628 HydrophobicContact CZ-CG1 4Å
1581S96.2Very high95.4Very high43 Ų4365 Ų6530%0.30134%0.343SS..  trans-149.8146.6161.3-179.40000107.8M1583 W1605S1581-M1583 WeakPolarHBondContact CB-O 3.3Å; S1581-M1583 PolarHBondContact O-N 2.86Å; S1581-M1583 PolarHBondContact OG-N 2.93Å; S1581-M1583 PolarHBondContact OG-O 2.91Å; S1581-W1605 WeakPolarHBondContact O-CZ2 3.43Å
1582T96.5Very high95.1Very high22 Ų2272.1 Ų72.114%0.13538%0.38CS..SBendtrans-64.7-20.1167.352.20000112F1580 T1603 C1699 H1700F1580-T1582 HydrophobicContact CE1-CG2 4.08Å; F1580-T1582 HydrophobicContact CZ-CG2 3.94Å; T1582-T1603 PolarHBondContact O-OG1 3.32Å; T1582-C1699 HydrophobicContact CG2-CB 4.18Å; T1582-H1700 WeakPolarHBondContact CB-O 3.07Å
1583M95.3Very high95Very high11 Ų1172.4 Ų72.45%0.05438%0.379CS..  trans-139.693.2171.7-169.249.255.700110.5S1581 F1585 A1597 D1601S1581-M1583 WeakPolarHBondContact CB-O 3.3Å; S1581-M1583 PolarHBondContact O-N 2.86Å; S1581-M1583 PolarHBondContact OG-N 2.93Å; S1581-M1583 PolarHBondContact OG-O 2.91Å; M1583-F1585 HydrophobicContact CE-CE1 4.07Å; M1583-F1585 HydrophobicContact CE-CZ 4.3Å; M1583-F1585 WeakPolarHBondContact CG-O 3.08Å; M1583-F1585 HydrophobicContact SD-CD1 3.62Å; M1583-F1585 HydrophobicContact SD-CD2 4.35Å; M1583-F1585 HydrophobicContact SD-CE1 3.43Å; M1583-F1585 WeakPolarHBondContact SD-CE1 3.37Å; M1583-F1585 HydrophobicContact SD-CE2 4.2Å; M1583-F1585 HydrophobicContact SD-CG 4.09Å; M1583-F1585 HydrophobicContact SD-CZ 3.77Å; M1583-A1597 HydrophobicContact CB-CB 4.38Å; M1583-A1597 HydrophobicContact CG-CB 4.25Å; M1583-D1601 VanDerWaalsContact CE-C 3.49Å; M1583-D1601 HydrophobicContact CE-CB 3.66Å; M1583-D1601 VanDerWaalsContact CE-O 3.25Å; M1583-D1601 WeakPolarHBondContact CE-O 3.4Å; M1583-D1601 HydrophobicContact SD-CB 4.35Å
1584P94.7Very high94.8Very high52 Ų5273.8 Ų73.834%0.33839%0.389SS..  trans-92.36.1179.938-35.2000113.3L1577 T1603 W1605L1577-P1584 HydrophobicContact CD1-CB 4.28Å; P1584-T1603 HydrophobicContact CG-CG2 3.8Å; P1584-W1605 HydrophobicContact CG-CZ2 4.2Å
1585F94.1Very high94.4Very high43 Ų4375.5 Ų75.519%0.18939%0.391CS..  trans-135168.8-179.972.5-87.3000111.6I1559 M1583 D1601 T1603I1559-F1585 HydrophobicContact CB-CD1 3.97Å; I1559-F1585 HydrophobicContact CB-CE1 3.68Å; I1559-F1585 HydrophobicContact CB-CZ 4.4Å; I1559-F1585 HydrophobicContact CD1-CD1 3.93Å; I1559-F1585 HydrophobicContact CD1-CE1 4.19Å; I1559-F1585 HydrophobicContact CD1-CG 4.1Å; I1559-F1585 HydrophobicContact CG1-CE1 4.4Å; I1559-F1585 HydrophobicContact CG2-CD1 3.96Å; I1559-F1585 HydrophobicContact CG2-CE1 4.09Å; M1583-F1585 HydrophobicContact CE-CE1 4.07Å; M1583-F1585 HydrophobicContact CE-CZ 4.3Å; M1583-F1585 WeakPolarHBondContact CG-O 3.08Å; M1583-F1585 HydrophobicContact SD-CD1 3.62Å; M1583-F1585 HydrophobicContact SD-CD2 4.35Å; M1583-F1585 HydrophobicContact SD-CE1 3.43Å; M1583-F1585 WeakPolarHBondContact SD-CE1 3.37Å; M1583-F1585 HydrophobicContact SD-CE2 4.2Å; M1583-F1585 HydrophobicContact SD-CG 4.09Å; M1583-F1585 HydrophobicContact SD-CZ 3.77Å; F1585-D1601 HydrophobicContact CE2-CB 4.38Å; F1585-D1601 HydrophobicContact CZ-CB 3.89Å; F1585-T1603 HydrophobicContact CD1-CG2 4.09Å; F1585-T1603 HydrophobicContact CE1-CG2 3.79Å
1586M92.5Very high94Very high97 Ų9780.7 Ų80.748%0.47842%0.418SS..  trans-145.1117.6179.953.8-169.4-74.500110.4C1594 N1595 I1596M1586-C1594 HydrophobicContact CE-CB 3.47Å; M1586-C1594 VanDerWaalsContact CE-CB 3.47Å; M1586-N1595 WeakPolarHBondContact CA-O 3.28Å; M1586-N1595 VanDerWaalsContact CB-O 3.31Å; M1586-N1595 WeakPolarHBondContact CB-O 3.33Å; M1586-I1596 HydrophobicContact CB-CB 4Å; M1586-I1596 HydrophobicContact CB-CG1 4.27Å
1587P90Very high93.6Very high45 Ų4582.8 Ų82.829%0.29244%0.435SS..  trans-72.2137.5170.727.4-34.8000112N1595P1587-N1595 VanDerWaalsContact CD-O 3.24Å; P1587-N1595 WeakPolarHBondContact CD-O 3.17Å; P1587-N1595 PolarHBondContact O-N 3.33Å
1588C92.3Very high93.1Very high76 Ų7683.8 Ų83.851%0.51445%0.447SS..BIsolated β-bridgetrans-112.9145169.8-56.10000110.4E1593 C1594C1588-E1593 WeakPolarHBondContact CA-O 3.22Å; C1588-C1594 HydrophobicContact CB-CB 4.05Å; C1588-C1594 WeakPolarHBondContact CB-SG 3.49Å; C1588-C1594 WeakPolarHBondContact SG-CB 3.45Å; C1588-C1594 CovalentContact SG-SG 2.04Å; C1588-C1594 PolarHBondContact SG-SG 3.48Å
1589N89.9Confident92.5Very high65 Ų6583.4 Ų83.435%0.34844%0.44SS..  trans-96.3175.3176.574.811.1000112.1N1591 N1592 E1593N1589-N1591 PolarHBondContact O-N 3.05Å; N1589-N1591 WeakPolarHBondContact OD1-CA 3.41Å; N1589-N1591 VanDerWaalsContact OD1-CB 3.3Å; N1589-N1591 WeakPolarHBondContact OD1-CB 3.41Å; N1589-N1591 PolarHBondContact OD1-N 3.21Å; N1589-N1592 PolarHBondContact O-N 3.3Å; N1589-N1592 PolarHBondContact OD1-N 3.14Å; N1589-E1593 PolarHBondContact N-O 3.17Å; N1589-E1593 PolarHBondContact ND2-OE2 3.21Å; N1589-E1593 WeakPolarHBondContact OD1-CB 3.29Å; N1589-E1593 PolarHBondContact OD1-N 3.07Å; N1589-E1593 PolarHBondContact OD1-O 3.42Å
1590L93.3Very high92.1Very high174 Ų17479.5 Ų79.591%0.91144%0.436SS*.THydrogen-bonded Turntrans-70.7-8.8179-63.8174.6000114.1N1592L1590-N1592 VanDerWaalsContact C-N 3.26Å
1591N94.2Very high91.9Very high115 Ų11577.3 Ų77.362%0.61543%0.426SS*.THydrogen-bonded Turntrans-86.11.9175.3-53.1-17000112.1N1589 E1593N1589-N1591 PolarHBondContact O-N 3.05Å; N1589-N1591 WeakPolarHBondContact OD1-CA 3.41Å; N1589-N1591 VanDerWaalsContact OD1-CB 3.3Å; N1589-N1591 WeakPolarHBondContact OD1-CB 3.41Å; N1589-N1591 PolarHBondContact OD1-N 3.21Å; N1591-E1593 VanDerWaalsContact C-N 3.3Å; N1591-E1593 HydrophobicContact CB-CG 4.01Å; N1591-E1593 WeakPolarHBondContact CB-OE2 2.99Å; N1591-E1593 PolarHBondContact ND2-OE2 3.31Å
1592N91.4Very high91.8Very high151 Ų15177.9 Ų77.981%0.80742%0.422SS*.SBendtrans67.821-168.7-49.2-73.2000114.5N1589 L1590N1589-N1592 PolarHBondContact O-N 3.3Å; N1589-N1592 PolarHBondContact OD1-N 3.14Å; L1590-N1592 VanDerWaalsContact C-N 3.26Å
1593E93.2Very high91.8Very high105 Ų10576.8 Ų76.849%0.49142%0.416SS..  trans-93123.1173.9-53166.2116.800109.6C1588 N1589 N1591C1588-E1593 WeakPolarHBondContact CA-O 3.22Å; N1589-E1593 PolarHBondContact N-O 3.17Å; N1589-E1593 PolarHBondContact ND2-OE2 3.21Å; N1589-E1593 WeakPolarHBondContact OD1-CB 3.29Å; N1589-E1593 PolarHBondContact OD1-N 3.07Å; N1589-E1593 PolarHBondContact OD1-O 3.42Å; N1591-E1593 VanDerWaalsContact C-N 3.3Å; N1591-E1593 HydrophobicContact CB-CG 4.01Å; N1591-E1593 WeakPolarHBondContact CB-OE2 2.99Å; N1591-E1593 PolarHBondContact ND2-OE2 3.31Å
1594C93.1Very high91.9Very high63 Ų6376.3 Ų76.343%0.42641%0.413SS..BIsolated β-bridgetrans-108.1136178.2-600000111.6M1586 C1588M1586-C1594 HydrophobicContact CE-CB 3.47Å; M1586-C1594 VanDerWaalsContact CE-CB 3.47Å; C1588-C1594 HydrophobicContact CB-CB 4.05Å; C1588-C1594 WeakPolarHBondContact CB-SG 3.49Å; C1588-C1594 WeakPolarHBondContact SG-CB 3.45Å; C1588-C1594 CovalentContact SG-SG 2.04Å; C1588-C1594 PolarHBondContact SG-SG 3.48Å
1595N89.4Confident92.1Very high65 Ų6573.8 Ų73.835%0.34840%0.397SS..  trans-113.9132.5179.2-78.1-89.7000110M1586 P1587 S1598M1586-N1595 WeakPolarHBondContact CA-O 3.28Å; M1586-N1595 VanDerWaalsContact CB-O 3.31Å; M1586-N1595 WeakPolarHBondContact CB-O 3.33Å; P1587-N1595 VanDerWaalsContact CD-O 3.24Å; P1587-N1595 WeakPolarHBondContact CD-O 3.17Å; P1587-N1595 PolarHBondContact O-N 3.33Å; N1595-S1598 WeakPolarHBondContact OD1-CB 3.44Å; N1595-S1598 PolarHBondContact OD1-OG 3.08Å
1596I88.9Confident92.2Very high108 Ų10871.8 Ų71.855%0.55439%0.388SS*.SBendtrans-123.4120176.3-173.1169.8000108.7M1586 S1598M1586-I1596 HydrophobicContact CB-CB 4Å; M1586-I1596 HydrophobicContact CB-CG1 4.27Å; I1596-S1598 PolarHBondContact O-N 3.48Å; I1596-S1598 PolarHBondContact O-OG 3.38Å
1597A90.5Very high92.5Very high47 Ų4767.2 Ų67.239%0.38837%0.366SS..SBendtrans57.1-2.7-172.700000117M1583 R1599 G1701M1583-A1597 HydrophobicContact CB-CB 4.38Å; M1583-A1597 HydrophobicContact CG-CB 4.25Å; A1597-R1599 PolarHBondContact O-N 2.97Å; A1597-G1701 WeakPolarHBondContact CB-O 3.08Å
1598S87.1Confident92.8Very high78 Ų7865.8 Ų65.855%0.54536%0.356SS..  trans-68.46179-29.60000115.7N1595 I1596N1595-S1598 WeakPolarHBondContact OD1-CB 3.44Å; N1595-S1598 PolarHBondContact OD1-OG 3.08Å; I1596-S1598 PolarHBondContact O-N 3.48Å; I1596-S1598 PolarHBondContact O-OG 3.38Å
1599R86.2Confident92.9Very high121 Ų12169 Ų6946%0.45736%0.361SS..SBendtrans-140.3160.4-172.3-85.4179.8159.5-136-3.6111D1562 A1597 D1601D1562-R1599 IonicContact OD1-CZ 2.72Å; D1562-R1599 IonicContact OD1-NH1 3.69Å; D1562-R1599 PolarHBondContact OD1-NH1 3.29Å; A1597-R1599 PolarHBondContact O-N 2.97Å; R1599-D1601 VanDerWaalsContact CB-OD2 3.22Å; R1599-D1601 WeakPolarHBondContact CB-OD2 3.37Å; R1599-D1601 PolarHBondContact O-N 3.15Å
1600N88.3Confident93.1Very high134 Ų13470.1 Ų70.172%0.71737%0.365SS*.SBendtrans-78.258.8174-69.3-29000111.3Y1602N1600-Y1602 WeakPolarHBondContact O-CE2 3.48Å
1601D92.6Very high93.1Very high8 Ų866 Ų664%0.04335%0.349CS..  trans-96154.1172.4-62.8-48.4000109.9G1561 D1562 M1583 F1585 R1599 G1701G1561-D1601 WeakPolarHBondContact CA-OD1 3.24Å; D1562-D1601 PolarHBondContact N-OD1 3.31Å; M1583-D1601 VanDerWaalsContact CE-C 3.49Å; M1583-D1601 HydrophobicContact CE-CB 3.66Å; M1583-D1601 VanDerWaalsContact CE-O 3.25Å; M1583-D1601 WeakPolarHBondContact CE-O 3.4Å; M1583-D1601 HydrophobicContact SD-CB 4.35Å; F1585-D1601 HydrophobicContact CE2-CB 4.38Å; F1585-D1601 HydrophobicContact CZ-CB 3.89Å; R1599-D1601 VanDerWaalsContact CB-OD2 3.22Å; R1599-D1601 WeakPolarHBondContact CB-OD2 3.37Å; R1599-D1601 PolarHBondContact O-N 3.15Å; D1601-G1701 PolarHBondContact O-N 2.93Å
1602Y94.5Very high92.9Very high55 Ų5562.1 Ų62.122%0.21633%0.327CS..EExtended strand (participates in β ladder)trans-127.4155.7-170.7-46.3-105.1000112Q1560 N1600 A1672 E1698 C1699 H1700Q1560-Y1602 HydrophobicContact CB-CD2 4.37Å; Q1560-Y1602 HydrophobicContact CG-CD2 4.31Å; Q1560-Y1602 PolarHBondContact N-O 3.38Å; Q1560-Y1602 PolarHBondContact O-N 2.87Å; N1600-Y1602 WeakPolarHBondContact O-CE2 3.48Å; Y1602-A1672 HydrophobicContact CD1-CB 4.46Å; Y1602-A1672 HydrophobicContact CE1-CB 4.22Å; Y1602-E1698 HydrophobicContact CD1-CG 4.25Å; Y1602-C1699 CarbonylContact C-O 3.54Å; Y1602-C1699 VanDerWaalsContact CA-O 3.26Å; Y1602-C1699 WeakPolarHBondContact CA-O 3.41Å; Y1602-C1699 WeakPolarHBondContact CB-O 3.15Å; Y1602-H1700 AromaticContact CD1-CE1 3.94Å; Y1602-H1700 AromaticContact CD1-ND1 3.93Å; Y1602-H1700 AromaticContact CE1-CD2 3.93Å; Y1602-H1700 AromaticContact CE1-CE1 3.96Å; Y1602-H1700 AromaticContact CE1-NE2 3.81Å
1603T96.1Very high92.9Very high0 Ų056.8 Ų56.80%030%0.3CS..EExtended strand (participates in β ladder)trans-134.8153164.157.90000111.9I1559 T1582 P1584 F1585 W1605 C1699I1559-T1603 HydrophobicContact CB-CG2 4.17Å; I1559-T1603 HydrophobicContact CG2-CG2 3.68Å; T1582-T1603 PolarHBondContact O-OG1 3.32Å; P1584-T1603 HydrophobicContact CG-CG2 3.8Å; F1585-T1603 HydrophobicContact CD1-CG2 4.09Å; F1585-T1603 HydrophobicContact CE1-CG2 3.79Å; T1603-W1605 PolarHBondContact OG1-NE1 3.4Å; T1603-C1699 PolarHBondContact N-O 2.75Å; T1603-C1699 WeakPolarHBondContact O-CA 3.37Å; T1603-C1699 WeakPolarHBondContact O-CB 3.35Å; T1603-C1699 PolarHBondContact O-N 3.47Å
1604Y97.6Very high92.7Very high0 Ų056.8 Ų56.80%032%0.318CS..EExtended strand (participates in β ladder)trans-130.6132-173.7-58.7-94000109.6L1557 Y1558 Q1560 A1671 A1672 F1696 I1697 E1698L1557-Y1604 WeakPolarHBondContact CB-O 3.33Å; L1557-Y1604 PolarHBondContact N-O 2.99Å; Y1558-Y1604 AromaticContact CD1-CD2 3.66Å; Y1558-Y1604 HydrophobicContact CD1-CD2 3.66Å; Y1558-Y1604 AromaticContact CD1-CG 3.64Å; Y1558-Y1604 HydrophobicContact CD1-CG 3.64Å; Y1558-Y1604 AromaticContact CD2-CD2 3.54Å; Y1558-Y1604 HydrophobicContact CD2-CD2 3.54Å; Y1558-Y1604 AromaticContact CD2-CE2 3.87Å; Y1558-Y1604 HydrophobicContact CD2-CE2 3.87Å; Y1558-Y1604 HydrophobicContact CD2-CG 4.36Å; Y1558-Y1604 AromaticContact CE1-CD1 3.74Å; Y1558-Y1604 HydrophobicContact CE1-CD1 3.74Å; Y1558-Y1604 AromaticContact CE1-CD2 3.38Å; Y1558-Y1604 HydrophobicContact CE1-CD2 3.38Å; Y1558-Y1604 HydrophobicContact CE1-CE1 4.3Å; Y1558-Y1604 HydrophobicContact CE1-CE2 4Å; Y1558-Y1604 AromaticContact CE1-CG 3.21Å; Y1558-Y1604 HydrophobicContact CE1-CG 3.21Å; Y1558-Y1604 AromaticContact CE2-CD2 3.29Å; Y1558-Y1604 HydrophobicContact CE2-CD2 3.29Å; Y1558-Y1604 AromaticContact CE2-CE2 3.24Å; Y1558-Y1604 HydrophobicContact CE2-CE2 3.24Å; Y1558-Y1604 HydrophobicContact CE2-CG 4.04Å; Y1558-Y1604 AromaticContact CE2-CZ 3.94Å; Y1558-Y1604 AromaticContact CG-CD2 3.74Å; Y1558-Y1604 HydrophobicContact CG-CD2 3.74Å; Y1558-Y1604 HydrophobicContact CG-CG 4.21Å; Y1558-Y1604 AromaticContact CZ-CD1 3.84Å; Y1558-Y1604 AromaticContact CZ-CD2 3.24Å; Y1558-Y1604 AromaticContact CZ-CE1 3.92Å; Y1558-Y1604 AromaticContact CZ-CE2 3.35Å; Y1558-Y1604 AromaticContact CZ-CG 3.48Å; Y1558-Y1604 VanDerWaalsContact CZ-CG 3.48Å; Y1558-Y1604 AromaticContact CZ-CZ 3.67Å; Y1558-Y1604 PolarHBondContact N-O 2.89Å; Y1558-Y1604 PolarHBondContact O-N 2.95Å; Q1560-Y1604 HydrophobicContact CB-CE2 3.94Å; Q1560-Y1604 PolarHBondContact OE1-OH 3.37Å; Y1604-A1671 HydrophobicContact CD1-CB 4.2Å; Y1604-A1671 HydrophobicContact CE1-CB 3.39Å; Y1604-A1672 VanDerWaalsContact OH-CB 3.29Å; Y1604-A1672 WeakPolarHBondContact OH-CB 3.29Å; Y1604-A1672 PolarHBondContact OH-N 3.01Å; Y1604-F1696 HydrophobicContact CD1-CD2 4.03Å; Y1604-F1696 AromaticContact CD1-CE2 3.97Å; Y1604-F1696 HydrophobicContact CD1-CE2 3.97Å; Y1604-F1696 HydrophobicContact CE1-CE2 4.5Å; Y1604-I1697 WeakPolarHBondContact CA-O 3.4Å; Y1604-E1698 HydrophobicContact CD1-CB 3.76Å; Y1604-E1698 HydrophobicContact CD1-CG 4Å; Y1604-E1698 HydrophobicContact CE1-CB 3.54Å; Y1604-E1698 HydrophobicContact CE1-CG 3.37Å
1605W98.2Very high92.6Very high0 Ų057.9 Ų57.90%033%0.326CS..EExtended strand (participates in β ladder)trans-129.1143-171.2-59.279.1000109S1555 L1556 L1577 F1580 S1581 P1584 T1603 A1607 I1628 F1696 I1697S1555-W1605 CarbonylContact O-C 3.47Å; S1555-W1605 WeakPolarHBondContact O-CA 3.33Å; L1556-W1605 HydrophobicContact CB-CE3 4.14Å; L1556-W1605 HydrophobicContact CB-CH2 4.31Å; L1556-W1605 HydrophobicContact CB-CZ3 3.93Å; L1556-W1605 HydrophobicContact CD1-CD2 4.35Å; L1556-W1605 HydrophobicContact CD1-CH2 4.37Å; L1556-W1605 HydrophobicContact CD1-CZ2 4.1Å; L1577-W1605 HydrophobicContact CB-CH2 4.35Å; L1577-W1605 HydrophobicContact CB-CZ3 4.42Å; L1577-W1605 HydrophobicContact CD1-CH2 3.98Å; F1580-W1605 AromaticContact CD2-CD2 3.71Å; F1580-W1605 HydrophobicContact CD2-CD2 3.71Å; F1580-W1605 AromaticContact CD2-CE2 3.65Å; F1580-W1605 AromaticContact CD2-CE3 3.88Å; F1580-W1605 HydrophobicContact CD2-CE3 3.88Å; F1580-W1605 HydrophobicContact CD2-CG 4.34Å; F1580-W1605 AromaticContact CD2-CH2 3.98Å; F1580-W1605 HydrophobicContact CD2-CH2 3.98Å; F1580-W1605 AromaticContact CD2-CZ2 3.8Å; F1580-W1605 HydrophobicContact CD2-CZ2 3.8Å; F1580-W1605 HydrophobicContact CD2-CZ3 4.02Å; F1580-W1605 AromaticContact CE2-CD1 3.79Å; F1580-W1605 AromaticContact CE2-CD2 3.7Å; F1580-W1605 HydrophobicContact CE2-CD2 3.7Å; F1580-W1605 AromaticContact CE2-CE2 3.55Å; F1580-W1605 HydrophobicContact CE2-CE3 4.32Å; F1580-W1605 AromaticContact CE2-CG 3.88Å; F1580-W1605 HydrophobicContact CE2-CG 3.88Å; F1580-W1605 HydrophobicContact CE2-CZ2 4.08Å; F1580-W1605 AromaticContact CE2-NE1 3.6Å; S1581-W1605 WeakPolarHBondContact O-CZ2 3.43Å; P1584-W1605 HydrophobicContact CG-CZ2 4.2Å; T1603-W1605 PolarHBondContact OG1-NE1 3.4Å; W1605-A1607 PolarHBondContact O-N 2.78Å; W1605-I1628 HydrophobicContact CB-CD1 4.07Å; W1605-I1628 HydrophobicContact CB-CG2 4.27Å; W1605-I1628 HydrophobicContact CE3-CG2 4.23Å; W1605-I1628 HydrophobicContact CG-CD1 4.37Å; W1605-F1696 CarbonylContact O-C 3.57Å; W1605-F1696 WeakPolarHBondContact O-CA 3.35Å; W1605-F1696 VanDerWaalsContact O-CB 3.32Å; W1605-F1696 WeakPolarHBondContact O-CB 3.19Å; W1605-I1697 HydrophobicContact CB-CG2 4.31Å; W1605-I1697 PolarHBondContact N-O 3.34Å; W1605-I1697 VanDerWaalsContact N-O 3.15Å; W1605-I1697 PolarHBondContact O-N 2.99Å
1606L98.2Very high92.7Very high0 Ų060.3 Ų60.30%034%0.337CS..EExtended strand (participates in β ladder)trans-59.7139171.7-70.7179.9000109.5H1534 S1555 L1557 L1570 S1629 L1688 P1695H1534-L1606 HydrophobicContact CB-CD1 3.74Å; S1555-L1606 PolarHBondContact O-N 3.27Å; L1557-L1606 HydrophobicContact CD1-CD2 4.24Å; L1570-L1606 HydrophobicContact CD1-CD1 3.93Å; L1570-L1606 HydrophobicContact CD1-CD2 4.16Å; L1570-L1606 HydrophobicContact CD1-CG 4.35Å; L1570-L1606 HydrophobicContact CD2-CD1 3.69Å; L1570-L1606 HydrophobicContact CD2-CG 3.99Å; L1570-L1606 HydrophobicContact CG-CD1 4.41Å; L1606-S1629 WeakPolarHBondContact O-CB 3.5Å; L1606-S1629 PolarHBondContact O-N 2.78Å; L1606-L1688 HydrophobicContact CD1-CD2 3.96Å; L1606-L1688 HydrophobicContact CD2-CD1 4.46Å; L1606-P1695 CarbonylContact C-O 3.51Å; L1606-P1695 WeakPolarHBondContact CA-O 3.36Å; L1606-P1695 HydrophobicContact CD2-CB 4.37Å; L1606-P1695 WeakPolarHBondContact CD2-O 3.26Å
1607A97Very high92.8Very high2 Ų257.2 Ų57.22%0.01733%0.328CS..BIsolated β-bridgetrans-100.9152.9-171.600000112.5W1605 Y1627 R1692 P1695 I1697W1605-A1607 PolarHBondContact O-N 2.78Å; A1607-Y1627 CarbonylContact C-O 3.58Å; A1607-Y1627 VanDerWaalsContact CA-O 3.26Å; A1607-Y1627 WeakPolarHBondContact CA-O 3.16Å; A1607-R1692 PolarHBondContact O-NH1 2.69Å; A1607-P1695 PolarHBondContact N-O 3.14Å; A1607-I1697 HydrophobicContact CB-CB 4.32Å
1608T97.2Very high93Very high14 Ų1457.6 Ų57.69%0.08633%0.326CS..  trans-81.7-168.6172.869.40000111.7Q1536 T1537 T1538 E1610 P1626 Y1627 R1692Q1536-T1608 WeakPolarHBondContact O-CA 3.44Å; T1537-T1608 VanDerWaalsContact C-CG2 3.44Å; T1538-T1608 HydrophobicContact CG2-CG2 4.25Å; T1608-E1610 WeakPolarHBondContact OG1-CB 3.41Å; T1608-E1610 PolarHBondContact OG1-N 2.74Å; T1608-P1626 WeakPolarHBondContact CB-O 3.38Å; T1608-P1626 WeakPolarHBondContact CG2-O 3.3Å; T1608-P1626 PolarHBondContact OG1-O 2.82Å; T1608-Y1627 PolarHBondContact N-O 3.05Å; T1608-R1692 PolarHBondContact O-NH1 2.83Å
1609K94.6Very high93.4Very high143 Ų14354.5 Ų54.562%0.62230%0.304SS*.SBendtrans-83.60.7172.1-66.9-177.5176.6176.20113D1690K1609-D1690 WeakPolarHBondContact CE-OD2 3.37Å; K1609-D1690 IonicContact NZ-OD2 3.42Å; K1609-D1690 PolarHBondContact NZ-OD2 3.46Å
1610E94.6Very high93.9Very high89 Ų8952.6 Ų52.642%0.41631%0.306SS..PPolyproline II helixtrans-60.4124.6-175.9-165.363.3-152.500110.5T1608 P1626 Y1627T1608-E1610 WeakPolarHBondContact OG1-CB 3.41Å; T1608-E1610 PolarHBondContact OG1-N 2.74Å; E1610-P1626 HydrophobicContact CG-CB 4.01Å; E1610-Y1627 HydrophobicContact CB-CD1 3.8Å; E1610-Y1627 HydrophobicContact CB-CE1 3.79Å; E1610-Y1627 HydrophobicContact CB-CG 4.34Å; E1610-Y1627 HydrophobicContact CG-CD1 4Å; E1610-Y1627 HydrophobicContact CG-CD2 4.46Å; E1610-Y1627 HydrophobicContact CG-CE1 3.58Å; E1610-Y1627 HydrophobicContact CG-CE2 4.09Å; E1610-Y1627 HydrophobicContact CG-CG 4.4Å
1611P91.9Very high94.2Very high89 Ų8949 Ų4958%0.57830%0.301SS*.PPolyproline II helixtrans-66.6146.3176.228.5-34.5000110.3Y1627P1611-Y1627 VanDerWaalsContact O-CE1 3.25Å; P1611-Y1627 WeakPolarHBondContact O-CE1 3.32Å; P1611-Y1627 PolarHBondContact O-OH 3.49Å
1612M90.5Very high94.2Very high33 Ų3357 Ų5716%0.16333%0.332CS..PPolyproline II helixtrans-56.1147.4168.2-90.2-57.2-52.300110.8M1616 V1619 Y1627 N1706 H1707M1612-M1616 HydrophobicContact CB-CE 4.44Å; M1612-M1616 HydrophobicContact CB-SD 3.79Å; M1612-V1619 HydrophobicContact CE-CG2 4.32Å; M1612-Y1627 HydrophobicContact SD-CE1 4.4Å; M1612-N1706 WeakPolarHBondContact CE-OD1 3.5Å; M1612-N1706 PolarHBondContact SD-OD1 3.34Å; M1612-N1706 VanDerWaalsContact SD-OD1 3.41Å; M1612-H1707 HydrophobicContact CG-CB 4.03Å; M1612-H1707 HydrophobicContact SD-CB 4.37Å
1613T90.7Very high94.3Very high39 Ų3957.2 Ų57.224%0.23934%0.344CS..PPolyproline II helixtrans-46.6141.2172.257.10000110.8S1615 M1616 A1617 V1619T1613-S1615 PolarHBondContact O-N 3.09Å; T1613-M1616 WeakPolarHBondContact O-CA 3.4Å; T1613-M1616 PolarHBondContact O-N 2.04Å; T1613-A1617 PolarHBondContact OG1-N 3.09Å; T1613-A1617 PolarHBondContact OG1-O 3.14Å; T1613-A1617 VanDerWaalsContact OG1-O 3.07Å; T1613-V1619 HydrophobicContact CG2-CG2 3.95Å
1614A89Confident94.3Very high105 Ų10557.3 Ų57.387%0.86835%0.345SS*.THydrogen-bonded Turntrans-60.8-22.2-177.400000113.4
1615S91.1Very high94.2Very high85 Ų8565.1 Ų65.159%0.59437%0.374SS*.THydrogen-bonded Turntrans-81.7-8.517354.70000114.4T1613 A1617T1613-S1615 PolarHBondContact O-N 3.09Å; S1615-A1617 PolarHBondContact O-N 3.33Å; S1615-A1617 VanDerWaalsContact O-N 3.08Å; S1615-A1617 WeakPolarHBondContact OG-CB 3.45Å; S1615-A1617 PolarHBondContact OG-N 3.45Å
1616M91.3Very high94.2Very high116 Ų11667.4 Ų67.457%0.57139%0.389SS*.  trans54.517.2-168.6-57.6-68.716000113.8M1612 T1613 N1706M1612-M1616 HydrophobicContact CB-CE 4.44Å; M1612-M1616 HydrophobicContact CB-SD 3.79Å; T1613-M1616 WeakPolarHBondContact O-CA 3.4Å; T1613-M1616 PolarHBondContact O-N 2.04Å; M1616-N1706 PolarHBondContact O-ND2 3.23Å
1617A92.2Very high94.1Very high44 Ų4468.2 Ų68.236%0.36439%0.392SS..PPolyproline II helixtrans-74.9144.2-178.800000110.9T1613 S1615 V1619T1613-A1617 PolarHBondContact OG1-N 3.09Å; T1613-A1617 PolarHBondContact OG1-O 3.14Å; T1613-A1617 VanDerWaalsContact OG1-O 3.07Å; S1615-A1617 PolarHBondContact O-N 3.33Å; S1615-A1617 VanDerWaalsContact O-N 3.08Å; S1615-A1617 WeakPolarHBondContact OG-CB 3.45Å; S1615-A1617 PolarHBondContact OG-N 3.45Å; A1617-V1619 PolarHBondContact O-N 2.87Å
1618P94.6Very high94.2Very high55 Ų5568.2 Ų68.236%0.35739%0.392SS..PPolyproline II helixtrans-58.5132.1175.6-20.430.8000111.9T1704 C1705 N1706P1618-T1704 HydrophobicContact CB-CG2 4.14Å; P1618-C1705 CarbonylContact C-O 3.21Å; P1618-C1705 WeakPolarHBondContact CA-O 3.27Å; P1618-N1706 HydrophobicContact CB-CB 4.22Å; P1618-N1706 HydrophobicContact CG-CB 4.43Å
1619V96.1Very high94.2Very high13 Ų1367.5 Ų67.58%0.07939%0.388CS..EExtended strand (participates in β ladder)trans-83.7143.5-178.9-156.40000109.6M1612 T1613 A1617 A1623 V1624 Y1627 T1704 C1705M1612-V1619 HydrophobicContact CE-CG2 4.32Å; T1613-V1619 HydrophobicContact CG2-CG2 3.95Å; A1617-V1619 PolarHBondContact O-N 2.87Å; V1619-A1623 VanDerWaalsContact CG1-C 3.48Å; V1619-A1623 HydrophobicContact CG1-CB 3.67Å; V1619-A1623 VanDerWaalsContact CG1-O 3.3Å; V1619-A1623 WeakPolarHBondContact CG1-O 3.02Å; V1619-V1624 HydrophobicContact CB-CG2 4.23Å; V1619-V1624 HydrophobicContact CG1-CG2 4.38Å; V1619-V1624 WeakPolarHBondContact O-CG2 3.27Å; V1619-Y1627 HydrophobicContact CB-CE2 4.43Å; V1619-Y1627 HydrophobicContact CG1-CD2 4.46Å; V1619-Y1627 HydrophobicContact CG1-CE2 4.06Å; V1619-Y1627 HydrophobicContact CG2-CD2 4.37Å; V1619-Y1627 HydrophobicContact CG2-CE2 3.87Å; V1619-T1704 CarbonylContact O-C 3.58Å; V1619-T1704 WeakPolarHBondContact O-CA 3.27Å; V1619-C1705 PolarHBondContact N-O 3.34Å; V1619-C1705 PolarHBondContact O-N 3.38Å
1620T95.6Very high94.4Very high81 Ų8162.3 Ų62.350%0.49736%0.364SS..EExtended strand (participates in β ladder)trans-132.6158.4-174.154.20000112.9A1623 G1703 T1704T1620-A1623 WeakPolarHBondContact O-CB 3.25Å; T1620-A1623 PolarHBondContact O-N 2.82Å; T1620-G1703 WeakPolarHBondContact CA-O 3.36Å; T1620-T1704 HydrophobicContact CG2-CG2 3.71Å
1621G94Very high94.6Very high59 Ų5958.1 Ų58.161%0.60835%0.345SS*.G310 helixtrans56.2-140.6174.500000113.6A1623 V1624G1621-A1623 PolarHBondContact O-N 2.99Å; G1621-V1624 WeakPolarHBondContact O-CB 3.4Å; G1621-V1624 PolarHBondContact O-N 2.86Å; G1621-V1624 VanDerWaalsContact O-N 3.17Å
1622Y93.8Very high94.9Very high176 Ų17653.9 Ų53.969%0.6932%0.317SS*.G310 helixtrans-63.3-23.4-179.3-68.8-72.6000114.2V1624 R1625Y1622-V1624 PolarHBondContact O-N 2.91Å; Y1622-R1625 WeakPolarHBondContact O-CB 3.48Å; Y1622-R1625 PolarHBondContact O-N 3.39Å
1623A95Very high95.3Very high58 Ų5852.3 Ų52.348%0.47931%0.309SS..G310 helixtrans-67.4-12.717700000113.2V1619 T1620 G1621 R1625 P1626V1619-A1623 VanDerWaalsContact CG1-C 3.48Å; V1619-A1623 HydrophobicContact CG1-CB 3.67Å; V1619-A1623 VanDerWaalsContact CG1-O 3.3Å; V1619-A1623 WeakPolarHBondContact CG1-O 3.02Å; T1620-A1623 WeakPolarHBondContact O-CB 3.25Å; T1620-A1623 PolarHBondContact O-N 2.82Å; G1621-A1623 PolarHBondContact O-N 2.99Å; A1623-R1625 VanDerWaalsContact C-N 3.31Å; A1623-P1626 WeakPolarHBondContact O-CD 3.37Å
1624V96.7Very high95.5Very high2 Ų250.4 Ų50.41%0.01230%0.298CS..G310 helixtrans-70.2-26.7169.6176.70000111.9F1580 V1619 G1621 Y1622 Y1627 I1628 C1705F1580-V1624 HydrophobicContact CE1-CG1 3.82Å; F1580-V1624 HydrophobicContact CZ-CG1 3.63Å; V1619-V1624 HydrophobicContact CB-CG2 4.23Å; V1619-V1624 HydrophobicContact CG1-CG2 4.38Å; V1619-V1624 WeakPolarHBondContact O-CG2 3.27Å; G1621-V1624 WeakPolarHBondContact O-CB 3.4Å; G1621-V1624 PolarHBondContact O-N 2.86Å; G1621-V1624 VanDerWaalsContact O-N 3.17Å; Y1622-V1624 PolarHBondContact O-N 2.91Å; V1624-Y1627 WeakPolarHBondContact O-CB 3.32Å; V1624-Y1627 PolarHBondContact O-N 3.24Å; V1624-I1628 HydrophobicContact CG1-CD1 3.82Å; V1624-I1628 HydrophobicContact CG1-CG1 3.85Å; V1624-C1705 HydrophobicContact CG1-CB 4.15Å; V1624-C1705 VanDerWaalsContact CG1-SG 3.55Å; V1624-C1705 HydrophobicContact CG2-CB 4.27Å
1625R95.9Very high95.8Very high165 Ų16547.5 Ų47.562%0.62327%0.266SS*.G310 helixtrans-55.1-41.6-170.6-177.4176.9175.5171.6-2.2115.1Y1622 A1623 Y1627 I1628Y1622-R1625 WeakPolarHBondContact O-CB 3.48Å; Y1622-R1625 PolarHBondContact O-N 3.39Å; A1623-R1625 VanDerWaalsContact C-N 3.31Å; R1625-Y1627 PolarHBondContact O-N 3.29Å; R1625-I1628 PolarHBondContact O-N 3.29Å
1626P97.1Very high95.8Very high48 Ų4843.6 Ų43.631%0.31224%0.239SC..G310 helixtrans-61.4-25.8176.9-2537000113.9T1538 T1608 E1610 A1623T1538-P1626 WeakPolarHBondContact CG2-O 3.21Å; T1608-P1626 WeakPolarHBondContact CB-O 3.38Å; T1608-P1626 WeakPolarHBondContact CG2-O 3.3Å; T1608-P1626 PolarHBondContact OG1-O 2.82Å; E1610-P1626 HydrophobicContact CG-CB 4.01Å; A1623-P1626 WeakPolarHBondContact O-CD 3.37Å
1627Y97.2Very high95.7Very high16 Ų1638.5 Ų38.56%0.06321%0.214CC..G310 helixtrans-82.2-17.5-176.5-64.7-86.1000114.3A1607 T1608 E1610 P1611 M1612 V1619 V1624 R1625 I1697A1607-Y1627 CarbonylContact C-O 3.58Å; A1607-Y1627 VanDerWaalsContact CA-O 3.26Å; A1607-Y1627 WeakPolarHBondContact CA-O 3.16Å; T1608-Y1627 PolarHBondContact N-O 3.05Å; E1610-Y1627 HydrophobicContact CB-CD1 3.8Å; E1610-Y1627 HydrophobicContact CB-CE1 3.79Å; E1610-Y1627 HydrophobicContact CB-CG 4.34Å; E1610-Y1627 HydrophobicContact CG-CD1 4Å; E1610-Y1627 HydrophobicContact CG-CD2 4.46Å; E1610-Y1627 HydrophobicContact CG-CE1 3.58Å; E1610-Y1627 HydrophobicContact CG-CE2 4.09Å; E1610-Y1627 HydrophobicContact CG-CG 4.4Å; P1611-Y1627 VanDerWaalsContact O-CE1 3.25Å; P1611-Y1627 WeakPolarHBondContact O-CE1 3.32Å; P1611-Y1627 PolarHBondContact O-OH 3.49Å; M1612-Y1627 HydrophobicContact SD-CE1 4.4Å; V1619-Y1627 HydrophobicContact CB-CE2 4.43Å; V1619-Y1627 HydrophobicContact CG1-CD2 4.46Å; V1619-Y1627 HydrophobicContact CG1-CE2 4.06Å; V1619-Y1627 HydrophobicContact CG2-CD2 4.37Å; V1619-Y1627 HydrophobicContact CG2-CE2 3.87Å; V1624-Y1627 WeakPolarHBondContact O-CB 3.32Å; V1624-Y1627 PolarHBondContact O-N 3.24Å; R1625-Y1627 PolarHBondContact O-N 3.29Å; Y1627-I1697 HydrophobicContact CD1-CD1 4.17Å; Y1627-I1697 HydrophobicContact CG-CD1 4.09Å
1628I98.2Very high95.6Very high2 Ų237 Ų371%0.0120%0.201CC..BIsolated β-bridgetrans-96.2120.6-171-49.9-58000112.1Y1554 F1580 W1605 V1624 R1625 I1697Y1554-I1628 HydrophobicContact CD1-CB 4.35Å; Y1554-I1628 HydrophobicContact CD1-CG2 3.78Å; Y1554-I1628 HydrophobicContact CG-CG2 4.32Å; F1580-I1628 HydrophobicContact CD2-CD1 4.29Å; F1580-I1628 HydrophobicContact CD2-CG1 4Å; F1580-I1628 HydrophobicContact CD2-CG2 3.95Å; F1580-I1628 HydrophobicContact CE2-CD1 3.57Å; F1580-I1628 HydrophobicContact CE2-CG1 3.7Å; F1580-I1628 HydrophobicContact CE2-CG2 4.28Å; F1580-I1628 HydrophobicContact CZ-CD1 3.92Å; F1580-I1628 HydrophobicContact CZ-CG1 4Å; W1605-I1628 HydrophobicContact CB-CD1 4.07Å; W1605-I1628 HydrophobicContact CB-CG2 4.27Å; W1605-I1628 HydrophobicContact CE3-CG2 4.23Å; W1605-I1628 HydrophobicContact CG-CD1 4.37Å; V1624-I1628 HydrophobicContact CG1-CD1 3.82Å; V1624-I1628 HydrophobicContact CG1-CG1 3.85Å; R1625-I1628 PolarHBondContact O-N 3.29Å; I1628-I1697 HydrophobicContact CD1-CG2 3.76Å
1629S98.4Very high95.5Very high0 Ų039.2 Ų39.20%021%0.206CC..PPolyproline II helixtrans-62.2134.8175.4175.10000112.1Q1536 T1537 S1555 L1606Q1536-S1629 VanDerWaalsContact CA-OG 3.23Å; Q1536-S1629 WeakPolarHBondContact CA-OG 3.48Å; Q1536-S1629 PolarHBondContact N-OG 3.41Å; T1537-S1629 WeakPolarHBondContact O-CA 3.44Å; S1555-S1629 VanDerWaalsContact CB-O 3.3Å; S1555-S1629 WeakPolarHBondContact CB-O 3.42Å; S1555-S1629 PolarHBondContact N-O 3.21Å; S1555-S1629 VanDerWaalsContact OG-C 3.28Å; S1555-S1629 WeakPolarHBondContact OG-CB 3.48Å; S1555-S1629 PolarHBondContact OG-O 3.04Å; S1555-S1629 PolarHBondContact OG-OG 2.95Å; L1606-S1629 WeakPolarHBondContact O-CB 3.5Å; L1606-S1629 PolarHBondContact O-N 2.78Å
1630R98.5Very high95.5Very high34 Ų3439.8 Ų39.813%0.12821%0.208CC..EExtended strand (participates in β ladder)trans-82.7162.6168.4-62.3-65.6-68160.64.3112.2S1535 T1537 T1538 D1539 V1540 G1553 Y1554 S1555S1535-R1630 PolarHBondContact N-O 2.73Å; S1535-R1630 PolarHBondContact OG-O 3.5Å; T1537-R1630 PolarHBondContact O-N 2.86Å; T1538-R1630 WeakPolarHBondContact O-CG 3.26Å; D1539-R1630 WeakPolarHBondContact O-CB 3.06Å; V1540-R1630 HydrophobicContact CG2-CB 4.33Å; V1540-R1630 HydrophobicContact CG2-CG 4.4Å; G1553-R1630 CarbonylContact O-C 3.41Å; G1553-R1630 WeakPolarHBondContact O-CA 3.39Å; G1553-R1630 PolarHBondContact O-NE 3.47Å; G1553-R1630 PolarHBondContact O-NH1 3.44Å; Y1554-R1630 VanDerWaalsContact CE1-NH1 3.3Å; S1555-R1630 PolarHBondContact OG-O 3.49Å; S1555-R1630 VanDerWaalsContact OG-O 3.13Å
1631C98.5Very high95.5Very high0 Ų038 Ų380%020%0.195CC..EExtended strand (participates in β ladder)trans-145.7164.4175.557.60000111.5R1533 H1534 V1552 G1553 Y1554 C1576R1533-C1631 CarbonylContact O-C 3.53Å; R1533-C1631 WeakPolarHBondContact O-CA 3.18Å; R1533-C1631 VanDerWaalsContact O-CB 3.26Å; R1533-C1631 WeakPolarHBondContact O-CB 3.39Å; H1534-C1631 WeakPolarHBondContact ND1-CB 3.15Å; V1552-C1631 WeakPolarHBondContact CA-O 3.43Å; G1553-C1631 PolarHBondContact N-O 3.31Å; G1553-C1631 PolarHBondContact O-N 3.4Å; G1553-C1631 PolarHBondContact O-SG 3.35Å; G1553-C1631 VanDerWaalsContact O-SG 3.38Å; Y1554-C1631 VanDerWaalsContact C-SG 3.58Å; C1576-C1631 WeakPolarHBondContact CA-SG 3.14Å; C1576-C1631 HydrophobicContact CB-CB 3.94Å; C1576-C1631 WeakPolarHBondContact CB-SG 3.15Å; C1576-C1631 VanDerWaalsContact SG-C 3.52Å; C1576-C1631 WeakPolarHBondContact SG-CB 3.46Å; C1576-C1631 CovalentContact SG-SG 2.04Å; C1576-C1631 PolarHBondContact SG-SG 3.31Å
1632V98.4Very high95.8Very high0 Ų035.6 Ų35.60%017%0.17CC..EExtended strand (participates in β ladder)trans-129.4146.7169.271.40000108.4A1532 R1533 V1540 P1541 C1543 Q1549 W1551 V1552A1532-V1632 WeakPolarHBondContact CA-O 3.27Å; R1533-V1632 HydrophobicContact CB-CG1 4.09Å; R1533-V1632 PolarHBondContact N-O 3.4Å; R1533-V1632 PolarHBondContact O-N 2.86Å; V1540-V1632 HydrophobicContact CG1-CB 4.48Å; P1541-V1632 HydrophobicContact CB-CG1 4.47Å; P1541-V1632 HydrophobicContact CG-CB 4.32Å; P1541-V1632 HydrophobicContact CG-CG1 4.02Å; P1541-V1632 WeakPolarHBondContact O-CB 3.11Å; P1541-V1632 VanDerWaalsContact O-CG1 3.23Å; P1541-V1632 WeakPolarHBondContact O-CG1 3.46Å; C1543-V1632 VanDerWaalsContact SG-CG2 3.58Å; Q1549-V1632 HydrophobicContact CB-CG2 4.41Å; Q1549-V1632 HydrophobicContact CG-CG2 3.64Å; W1551-V1632 WeakPolarHBondContact O-CA 3.27Å; W1551-V1632 WeakPolarHBondContact O-CG2 3.22Å; V1552-V1632 HydrophobicContact CG1-CG2 4.04Å
1633V98.2Very high96Very high0 Ų028.8 Ų28.80%015%0.147CC..EExtended strand (participates in β ladder)trans-104.7124.3166.6178.80000108.7F1530 F1531 A1532 L1550 W1551 P1573 C1576F1530-V1633 HydrophobicContact CB-CG1 4.45Å; F1531-V1633 WeakPolarHBondContact O-CA 3.31Å; A1532-V1633 HydrophobicContact CB-CG2 4.37Å; L1550-V1633 HydrophobicContact CD1-CG1 4.35Å; L1550-V1633 PolarHBondContact N-O 3.38Å; W1551-V1633 HydrophobicContact CD2-CB 4Å; W1551-V1633 HydrophobicContact CD2-CG2 4.13Å; W1551-V1633 HydrophobicContact CE3-CB 4.2Å; W1551-V1633 HydrophobicContact CE3-CG1 4.39Å; W1551-V1633 HydrophobicContact CH2-CB 4.23Å; W1551-V1633 HydrophobicContact CH2-CG1 3.95Å; W1551-V1633 HydrophobicContact CH2-CG2 4.19Å; W1551-V1633 HydrophobicContact CZ2-CB 4.05Å; W1551-V1633 HydrophobicContact CZ2-CG1 4.2Å; W1551-V1633 HydrophobicContact CZ2-CG2 3.57Å; W1551-V1633 HydrophobicContact CZ3-CB 4.29Å; W1551-V1633 HydrophobicContact CZ3-CG1 4.04Å; W1551-V1633 PolarHBondContact O-N 3.4Å; P1573-V1633 HydrophobicContact CB-CG1 3.93Å; P1573-V1633 HydrophobicContact CB-CG2 4.09Å; P1573-V1633 HydrophobicContact CG-CG1 3.87Å; C1576-V1633 HydrophobicContact CB-CG2 3.59Å
1634C96.2Very high96.1Very high0 Ų027.9 Ų27.90%013%0.132CC..EExtended strand (participates in β ladder)trans-111.7139.6-178.7-50.40000110.7F1530 F1531 C1543 S1548F1530-C1634 CarbonylContact C-O 3.57Å; F1530-C1634 VanDerWaalsContact CA-O 3.25Å; F1530-C1634 WeakPolarHBondContact CA-O 3.43Å; F1531-C1634 HydrophobicContact CD1-CB 4.48Å; F1531-C1634 HydrophobicContact CE1-CB 3.91Å; F1531-C1634 HydrophobicContact CE2-CB 4.11Å; F1531-C1634 HydrophobicContact CZ-CB 3.7Å; F1531-C1634 PolarHBondContact N-O 3.04Å; F1531-C1634 PolarHBondContact O-N 3.38Å; C1543-C1634 WeakPolarHBondContact CA-SG 3.29Å; C1543-C1634 HydrophobicContact CB-CB 3.99Å; C1543-C1634 WeakPolarHBondContact CB-SG 3.28Å; C1543-C1634 WeakPolarHBondContact SG-CB 3.43Å; C1543-C1634 CovalentContact SG-SG 2.04Å; C1543-C1634 PolarHBondContact SG-SG 2.91Å; S1548-C1634 CarbonylContact O-C 3.55Å; S1548-C1634 VanDerWaalsContact O-CA 3.24Å; S1548-C1634 WeakPolarHBondContact O-CA 3.49Å
1635E94.6Very high96.1Very high43 Ų4329.2 Ų29.220%0.20114%0.142CC..EExtended strand (participates in β ladder)trans-97.2143170.4168.7-175.6-11600109.6S1526 F1530 T1547 S1548 L1550S1526-E1635 VanDerWaalsContact CB-CD 3.5Å; S1526-E1635 WeakPolarHBondContact CB-OE1 3.28Å; S1526-E1635 VanDerWaalsContact OG-CG 3.3Å; S1526-E1635 WeakPolarHBondContact OG-CG 3.4Å; S1526-E1635 PolarHBondContact OG-OE1 3.22Å; F1530-E1635 HydrophobicContact CD1-CB 3.91Å; F1530-E1635 HydrophobicContact CD1-CG 4.26Å; F1530-E1635 HydrophobicContact CE1-CB 4.08Å; F1530-E1635 HydrophobicContact CE1-CG 4.02Å; T1547-E1635 CarbonylContact C-O 3.49Å; T1547-E1635 WeakPolarHBondContact CA-O 3.43Å; T1547-E1635 WeakPolarHBondContact CB-O 3.46Å; S1548-E1635 PolarHBondContact N-O 3.34Å; S1548-E1635 PolarHBondContact O-N 3.09Å; S1548-E1635 WeakPolarHBondContact OG-CB 3.14Å; S1548-E1635 PolarHBondContact OG-O 3.03Å; S1548-E1635 PolarHBondContact OG-OE2 3.19Å; L1550-E1635 HydrophobicContact CD1-CB 4.08Å; L1550-E1635 HydrophobicContact CD2-CB 3.92Å; L1550-E1635 HydrophobicContact CG-CB 3.9Å
1636L91.8Very high96.1Very high3 Ų325.8 Ų25.82%0.01613%0.133CC..EExtended strand (participates in β ladder)trans-147.3152.9-170.261.6161.8000112.3F1529 F1531 T1547 T1638 I1640 M1749F1529-L1636 VanDerWaalsContact C-CD2 3.5Å; F1529-L1636 HydrophobicContact CB-CD2 3.94Å; F1529-L1636 HydrophobicContact CB-CG 3.9Å; F1529-L1636 WeakPolarHBondContact O-CD2 3.36Å; F1529-L1636 PolarHBondContact O-N 3.38Å; F1531-L1636 HydrophobicContact CD1-CD1 3.86Å; F1531-L1636 HydrophobicContact CD1-CD2 3.42Å; F1531-L1636 VanDerWaalsContact CD1-CD2 3.42Å; F1531-L1636 HydrophobicContact CD1-CG 4.25Å; F1531-L1636 HydrophobicContact CE1-CB 4.49Å; F1531-L1636 HydrophobicContact CE1-CD1 3.88Å; F1531-L1636 HydrophobicContact CE1-CD2 3.76Å; F1531-L1636 HydrophobicContact CE1-CG 4.28Å; T1547-L1636 HydrophobicContact CG2-CB 3.7Å; L1636-T1638 WeakPolarHBondContact CD1-O 3.35Å; L1636-T1638 VanDerWaalsContact CG-O 3.26Å; L1636-T1638 WeakPolarHBondContact CG-O 3.11Å; L1636-T1638 PolarHBondContact O-N 3.24Å; L1636-I1640 HydrophobicContact CD1-CB 3.7Å; L1636-I1640 HydrophobicContact CD1-CD1 4.47Å; L1636-I1640 HydrophobicContact CD1-CG2 3.85Å; L1636-M1749 HydrophobicContact CB-SD 4.18Å; L1636-M1749 HydrophobicContact CD1-CG 4.22Å; L1636-M1749 HydrophobicContact CD1-SD 4.03Å
1637P87.8Confident96.1Very high10 Ų1025 Ų257%0.06513%0.127CC..SBendtrans-73.8-12.2-174.529.1-36.6000114.3A1524 G1546A1524-P1637 HydrophobicContact CB-CB 4.1Å; G1546-P1637 WeakPolarHBondContact O-CD 3.25Å
1638T91.4Very high95.9Very high12 Ų1227.1 Ų27.17%0.07414%0.144CC..SBendtrans-148.9174.6-167.452.10000112.3F1529 L1636 M1749 K1750 P1752F1529-T1638 WeakPolarHBondContact CB-O 3.3Å; F1529-T1638 VanDerWaalsContact CD2-C 3.44Å; F1529-T1638 WeakPolarHBondContact CG-O 3.35Å; L1636-T1638 WeakPolarHBondContact CD1-O 3.35Å; L1636-T1638 VanDerWaalsContact CG-O 3.26Å; L1636-T1638 WeakPolarHBondContact CG-O 3.11Å; L1636-T1638 PolarHBondContact O-N 3.24Å; T1638-M1749 WeakPolarHBondContact OG1-CG 3.2Å; T1638-K1750 VanDerWaalsContact CB-O 3.24Å; T1638-K1750 WeakPolarHBondContact CB-O 3.28Å; T1638-K1750 WeakPolarHBondContact CG2-O 3.33Å; T1638-K1750 PolarHBondContact OG1-O 2.69Å; T1638-P1752 HydrophobicContact CG2-CB 3.97Å
1639Q92.4Very high95.7Very high101 Ų10131.6 Ų31.647%0.47217%0.168SC..  trans-66.8150.9173.8-69.6170-2600112.4F1529 W1657 K1750F1529-Q1639 HydrophobicContact CD1-CG 4.19Å; F1529-Q1639 HydrophobicContact CE1-CG 3.63Å; F1529-Q1639 HydrophobicContact CZ-CG 3.85Å; Q1639-W1657 HydrophobicContact CB-CH2 4.08Å; Q1639-W1657 HydrophobicContact CB-CZ3 4.38Å; Q1639-W1657 WeakPolarHBondContact O-CZ3 3.3Å; Q1639-K1750 PolarHBondContact O-N 2.94Å
1640I94.9Very high95.7Very high25 Ų2535.1 Ų35.113%0.12819%0.186CC..EExtended strand (participates in β ladder)trans-129.8140.6174.1-169.1173.9000109.1F1531 L1636 V1660 W1661 P1684 V1747 C1748 M1749F1531-I1640 HydrophobicContact CB-CG2 4.07Å; F1531-I1640 HydrophobicContact CD1-CD1 3.58Å; F1531-I1640 HydrophobicContact CD1-CG2 3.85Å; F1531-I1640 HydrophobicContact CD2-CD1 4.25Å; F1531-I1640 HydrophobicContact CE1-CD1 3.59Å; F1531-I1640 HydrophobicContact CE2-CD1 4.25Å; F1531-I1640 HydrophobicContact CG-CD1 3.94Å; F1531-I1640 HydrophobicContact CG-CG2 4.21Å; F1531-I1640 HydrophobicContact CZ-CD1 3.94Å; L1636-I1640 HydrophobicContact CD1-CB 3.7Å; L1636-I1640 HydrophobicContact CD1-CD1 4.47Å; L1636-I1640 HydrophobicContact CD1-CG2 3.85Å; I1640-V1660 HydrophobicContact CD1-CG2 4.28Å; I1640-W1661 HydrophobicContact CD1-CZ3 4.29Å; I1640-P1684 HydrophobicContact CD1-CG 4.24Å; I1640-P1684 HydrophobicContact CG1-CG 4.08Å; I1640-P1684 HydrophobicContact CG2-CG 3.88Å; I1640-V1747 HydrophobicContact CD1-CG1 3.57Å; I1640-V1747 HydrophobicContact CG1-CG1 3.56Å; I1640-C1748 CarbonylContact C-O 3.59Å; I1640-C1748 VanDerWaalsContact CA-O 3.32Å; I1640-C1748 WeakPolarHBondContact CA-O 3.17Å; I1640-C1748 WeakPolarHBondContact CG1-O 3.09Å; I1640-M1749 HydrophobicContact CG1-CB 4.48Å
1641I97.2Very high95.6Very high43 Ų4334.2 Ų34.222%0.22119%0.185CC..EExtended strand (participates in β ladder)trans-139156.9-178.664.1-179.9000111V1643 P1654 W1657 Q1682 V1747 C1748I1641-V1643 HydrophobicContact CD1-CG2 4.31Å; I1641-V1643 HydrophobicContact CG1-CG2 4.34Å; I1641-P1654 HydrophobicContact CD1-CG 4.34Å; I1641-W1657 HydrophobicContact CB-CZ3 4.24Å; I1641-W1657 HydrophobicContact CD1-CD2 4.34Å; I1641-W1657 HydrophobicContact CD1-CE3 4.02Å; I1641-W1657 HydrophobicContact CD1-CH2 3.86Å; I1641-W1657 HydrophobicContact CD1-CZ2 4.15Å; I1641-W1657 HydrophobicContact CD1-CZ3 3.79Å; I1641-W1657 HydrophobicContact CG1-CE3 3.91Å; I1641-W1657 HydrophobicContact CG1-CH2 4.11Å; I1641-W1657 HydrophobicContact CG1-CZ3 3.6Å; I1641-W1657 HydrophobicContact CG2-CH2 3.87Å; I1641-W1657 HydrophobicContact CG2-CZ3 3.9Å; I1641-Q1682 CarbonylContact C-O 3.5Å; I1641-Q1682 VanDerWaalsContact CA-O 3.31Å; I1641-Q1682 WeakPolarHBondContact CA-O 3.24Å; I1641-V1747 CarbonylContact O-C 3.3Å; I1641-V1747 WeakPolarHBondContact O-CA 3.38Å; I1641-C1748 HydrophobicContact CG1-CB 4.21Å; I1641-C1748 PolarHBondContact N-O 3.33Å; I1641-C1748 PolarHBondContact O-N 3.02Å
1642A98.4Very high95.6Very high9 Ų940.4 Ų40.47%0.07422%0.223CC..EExtended strand (participates in β ladder)trans-91.1151.1160.100000111.4Q1682 S1683 S1686 C1687 V1747A1642-Q1682 PolarHBondContact N-O 2.92Å; A1642-S1683 WeakPolarHBondContact CB-O 3.31Å; A1642-S1686 VanDerWaalsContact CB-OG 3.28Å; A1642-S1686 WeakPolarHBondContact CB-OG 3.47Å; A1642-C1687 HydrophobicContact CB-CB 4.16Å; A1642-V1747 HydrophobicContact CB-CG2 4.27Å
1643V98.4Very high95.5Very high33 Ų3341.3 Ų41.320%0.223%0.229CC..EExtended strand (participates in β ladder)trans-132137.8173.5-163.40000107.9I1641 P1651 C1745 Q1746I1641-V1643 HydrophobicContact CD1-CG2 4.31Å; I1641-V1643 HydrophobicContact CG1-CG2 4.34Å; V1643-P1651 HydrophobicContact CB-CG 4.37Å; V1643-P1651 HydrophobicContact CG1-CB 4.19Å; V1643-P1651 WeakPolarHBondContact O-CG 3.06Å; V1643-C1745 CarbonylContact O-C 3.56Å; V1643-C1745 WeakPolarHBondContact O-CA 2.78Å; V1643-C1745 VanDerWaalsContact O-CB 3.22Å; V1643-C1745 WeakPolarHBondContact O-CB 3.19Å; V1643-Q1746 PolarHBondContact N-O 2.7Å; V1643-Q1746 PolarHBondContact O-N 3.4Å
1644H98.3Very high95.5Very high39 Ų3943.8 Ų43.818%0.18125%0.245CC..EExtended strand (participates in β ladder)trans-117.5138-177.2-59.9-79.4000111S1665 L1681 S1686 L1716 C1745H1644-S1665 WeakPolarHBondContact ND1-CB 3.49Å; H1644-S1665 PolarHBondContact ND1-OG 3.15Å; H1644-L1681 PolarHBondContact CD2-O 2.96Å; H1644-L1681 PolarHBondContact NE2-O 3.49Å; H1644-S1686 PolarHBondContact CE1-OG 3.14Å; H1644-S1686 PolarHBondContact NE2-OG 3.13Å; H1644-L1716 HydrophobicContact CB-CD1 4.13Å; H1644-C1745 WeakPolarHBondContact ND1-CB 3.35Å
1645S96.9Very high95.4Very high30 Ų3053.3 Ų53.321%0.2129%0.289CS..  trans-87.2-26.7179.9550000114T1647 D1649 R1744S1645-T1647 PolarHBondContact O-N 2.79Å; S1645-T1647 PolarHBondContact OG-N 3.04Å; S1645-T1647 VanDerWaalsContact OG-N 3.15Å; S1645-T1647 PolarHBondContact OG-O 2.95Å; S1645-T1647 VanDerWaalsContact OG-O 3.08Å; S1645-D1649 WeakPolarHBondContact CB-O 3.4Å; S1645-D1649 PolarHBondContact OG-O 2.99Å; S1645-R1744 PolarHBondContact N-O 2.72Å; S1645-R1744 VanDerWaalsContact N-O 3.13Å; S1645-R1744 PolarHBondContact OG-O 2.62Å
1646Q96.2Very high95.4Very high93 Ų9352.8 Ų52.844%0.43530%0.296SS..SBendtrans55.121.3-161.6-57.7-175.8-107.800113.1V1718 I1719 S1743Q1646-V1718 CarbonylContact O-C 3.5Å; Q1646-V1718 WeakPolarHBondContact O-CA 3.38Å; Q1646-I1719 PolarHBondContact O-N 3.25Å; Q1646-S1743 VanDerWaalsContact CA-OG 3.26Å; Q1646-S1743 WeakPolarHBondContact CA-OG 3.34Å; Q1646-S1743 PolarHBondContact N-OG 3.4Å
1647T95.4Very high95.5Very high31 Ų3154.7 Ų54.719%0.1930%0.303CS..SBendtrans-132.4176.6174.476.10000111.7S1645 D1649 S1743 R1744S1645-T1647 PolarHBondContact O-N 2.79Å; S1645-T1647 PolarHBondContact OG-N 3.04Å; S1645-T1647 VanDerWaalsContact OG-N 3.15Å; S1645-T1647 PolarHBondContact OG-O 2.95Å; S1645-T1647 VanDerWaalsContact OG-O 3.08Å; T1647-D1649 VanDerWaalsContact CB-OD2 3.3Å; T1647-D1649 WeakPolarHBondContact CB-OD2 3.43Å; T1647-D1649 PolarHBondContact O-N 3.04Å; T1647-D1649 WeakPolarHBondContact OG1-CB 3.1Å; T1647-D1649 PolarHBondContact OG1-N 3.09Å; T1647-D1649 VanDerWaalsContact OG1-N 3.16Å; T1647-D1649 PolarHBondContact OG1-OD2 2.86Å; T1647-S1743 WeakPolarHBondContact O-CA 3.46Å; T1647-R1744 PolarHBondContact O-N 3.3Å
1648S93.2Very high95.8Very high61 Ų6157.4 Ų57.443%0.42732%0.317SS..SBendtrans-65.5-11.8171.843.40000113.9R1744S1648-R1744 VanDerWaalsContact C-CG 3.4Å; S1648-R1744 WeakPolarHBondContact O-CG 3.41Å
1649D95.3Very high96Very high96 Ų9660 Ų6051%0.51334%0.339SS..SBendtrans-104.1145-166-29.7-57.6000109S1645 T1647 R1744S1645-D1649 WeakPolarHBondContact CB-O 3.4Å; S1645-D1649 PolarHBondContact OG-O 2.99Å; T1647-D1649 VanDerWaalsContact CB-OD2 3.3Å; T1647-D1649 WeakPolarHBondContact CB-OD2 3.43Å; T1647-D1649 PolarHBondContact O-N 3.04Å; T1647-D1649 WeakPolarHBondContact OG1-CB 3.1Å; T1647-D1649 PolarHBondContact OG1-N 3.09Å; T1647-D1649 VanDerWaalsContact OG1-N 3.16Å; T1647-D1649 PolarHBondContact OG1-OD2 2.86Å; D1649-R1744 WeakPolarHBondContact O-CB 3.49Å
1650I97.6Very high96.1Very high74 Ų7456.6 Ų56.638%0.37933%0.325SS..PPolyproline II helixtrans-72.3126.5-177.2-59.2169.8000108.5R1744 Q1746I1650-R1744 HydrophobicContact CG1-CB 4.4Å; I1650-Q1746 HydrophobicContact CG2-CB 4.04Å; I1650-Q1746 HydrophobicContact CG2-CG 4.43Å; I1650-Q1746 VanDerWaalsContact CG2-OE1 3.31Å
1651P97.4Very high96.2Very high15 Ų1556.4 Ų56.410%0.09732%0.323CS..PPolyproline II helixtrans-68.6140.317826.6-30.6000110.6V1643 Q1746V1643-P1651 HydrophobicContact CB-CG 4.37Å; V1643-P1651 HydrophobicContact CG1-CB 4.19Å; V1643-P1651 WeakPolarHBondContact O-CG 3.06Å; P1651-Q1746 HydrophobicContact CG-CB 3.9Å; P1651-Q1746 WeakPolarHBondContact O-CB 3.5Å; P1651-Q1746 WeakPolarHBondContact O-CG 3.39Å
1652V97.1Very high96.2Very high131 Ų13156.2 Ų56.279%0.79433%0.326SS*.PPolyproline II helixtrans-75.5138.6176.9-172.40000109.6
1653C97.7Very high96.1Very high19 Ų1955.8 Ų55.813%0.12832%0.322CS..PPolyproline II helixtrans-61148.7173.6-710000112W1657 A1659 Q1746 C1748C1653-W1657 HydrophobicContact CB-CB 4.16Å; C1653-A1659 VanDerWaalsContact SG-CA 3.56Å; C1653-Q1746 VanDerWaalsContact SG-CG 3.51Å; C1653-C1748 WeakPolarHBondContact CA-SG 3.32Å; C1653-C1748 HydrophobicContact CB-CB 3.82Å; C1653-C1748 WeakPolarHBondContact CB-SG 3.4Å; C1653-C1748 WeakPolarHBondContact SG-CB 3.41Å; C1653-C1748 CovalentContact SG-SG 2.04Å; C1653-C1748 PolarHBondContact SG-SG 2.86Å
1654P97.4Very high96.1Very high52 Ų5255.7 Ų55.734%0.33832%0.319SS..PPolyproline II helixtrans-60.9154.9176.3-20.232.4000111.8I1641 G1656 W1657I1641-P1654 HydrophobicContact CD1-CG 4.34Å; P1654-G1656 PolarHBondContact O-N 2.91Å; P1654-W1657 HydrophobicContact CB-CG 4.37Å; P1654-W1657 WeakPolarHBondContact O-CB 3.42Å; P1654-W1657 PolarHBondContact O-N 2.84Å
1655Q94.8Very high96.1Very high199 Ų19953.9 Ų53.993%0.9331%0.31SS*.THydrogen-bonded Turntrans-56.9128.6179.6-174.1173.8-8.200111
1656G93.3Very high96.1Very high33 Ų3352.4 Ų52.434%0.3430%0.3SS..THydrogen-bonded Turntrans87.88.1-174.600000115.2P1654 R1751P1654-G1656 PolarHBondContact O-N 2.91Å; G1656-R1751 VanDerWaalsContact O-CB 3.28Å; G1656-R1751 WeakPolarHBondContact O-CB 3.45Å; G1656-R1751 WeakPolarHBondContact O-CG 3.46Å; G1656-R1751 PolarHBondContact O-N 3.09Å
1657W95.2Very high96.2Very high42 Ų4250.4 Ų50.416%0.15929%0.291CS..EExtended strand (participates in β ladder)trans-116.8147.7173.8-58.464.8000110.7Q1639 I1641 C1653 P1654 C1748 M1749 K1750Q1639-W1657 HydrophobicContact CB-CH2 4.08Å; Q1639-W1657 HydrophobicContact CB-CZ3 4.38Å; Q1639-W1657 WeakPolarHBondContact O-CZ3 3.3Å; I1641-W1657 HydrophobicContact CB-CZ3 4.24Å; I1641-W1657 HydrophobicContact CD1-CD2 4.34Å; I1641-W1657 HydrophobicContact CD1-CE3 4.02Å; I1641-W1657 HydrophobicContact CD1-CH2 3.86Å; I1641-W1657 HydrophobicContact CD1-CZ2 4.15Å; I1641-W1657 HydrophobicContact CD1-CZ3 3.79Å; I1641-W1657 HydrophobicContact CG1-CE3 3.91Å; I1641-W1657 HydrophobicContact CG1-CH2 4.11Å; I1641-W1657 HydrophobicContact CG1-CZ3 3.6Å; I1641-W1657 HydrophobicContact CG2-CH2 3.87Å; I1641-W1657 HydrophobicContact CG2-CZ3 3.9Å; C1653-W1657 HydrophobicContact CB-CB 4.16Å; P1654-W1657 HydrophobicContact CB-CG 4.37Å; P1654-W1657 WeakPolarHBondContact O-CB 3.42Å; P1654-W1657 PolarHBondContact O-N 2.84Å; W1657-C1748 HydrophobicContact CB-CB 4.11Å; W1657-C1748 HydrophobicContact CE3-CB 4.16Å; W1657-M1749 CarbonylContact C-O 3.5Å; W1657-M1749 WeakPolarHBondContact CA-O 3.47Å; W1657-M1749 VanDerWaalsContact CE3-C 3.49Å; W1657-K1750 HydrophobicContact CD2-CB 3.73Å; W1657-K1750 HydrophobicContact CD2-CG 4.09Å; W1657-K1750 VanDerWaalsContact CE3-CA 3.49Å; W1657-K1750 HydrophobicContact CE3-CB 3.68Å; W1657-K1750 HydrophobicContact CG-CB 4.43Å; W1657-K1750 HydrophobicContact CH2-CB 3.87Å; W1657-K1750 HydrophobicContact CH2-CD 4.32Å; W1657-K1750 HydrophobicContact CH2-CG 4.43Å; W1657-K1750 HydrophobicContact CZ2-CB 3.94Å; W1657-K1750 HydrophobicContact CZ2-CD 3.86Å; W1657-K1750 HydrophobicContact CZ2-CG 4.01Å; W1657-K1750 HydrophobicContact CZ3-CB 3.74Å
1658D94.1Very high96.2Very high68 Ų6852.4 Ų52.436%0.36430%0.3SS..EExtended strand (participates in β ladder)trans-103.7141.1174.9-78.6-48000111.3C1748 M1749 R1751D1658-C1748 CarbonylContact O-C 3.45Å; D1658-C1748 VanDerWaalsContact O-CA 3.29Å; D1658-C1748 WeakPolarHBondContact O-CA 3.47Å; D1658-M1749 PolarHBondContact N-O 3.21Å; D1658-M1749 PolarHBondContact O-N 3.04Å; D1658-R1751 IonicContact OD1-CZ 2.74Å; D1658-R1751 VanDerWaalsContact OD1-CZ 3.27Å; D1658-R1751 IonicContact OD1-NE 3.71Å; D1658-R1751 PolarHBondContact OD1-NE 3.13Å; D1658-R1751 IonicContact OD1-NH2 2.62Å; D1658-R1751 PolarHBondContact OD1-NH2 2.98Å; D1658-R1751 WeakPolarHBondContact OD2-CG 3.29Å; D1658-R1751 IonicContact OD2-CZ 2.97Å; D1658-R1751 IonicContact OD2-NE 3.84Å; D1658-R1751 PolarHBondContact OD2-NE 3.49Å; D1658-R1751 IonicContact OD2-NH2 3.14Å
1659A95.3Very high96.4Very high66 Ų6649.5 Ų49.555%0.54528%0.279SS..EExtended strand (participates in β ladder)trans-72.3130.8176.700000111.3C1653 Q1746C1653-A1659 VanDerWaalsContact SG-CA 3.56Å; A1659-Q1746 HydrophobicContact CB-CG 4.29Å
1660V94.3Very high96.4Very high30 Ų3045.9 Ų45.918%0.18226%0.261CS..EExtended strand (participates in β ladder)trans-106.4-51.1-174.6-162.80000111P1544 I1640 V1747 M1749P1544-V1660 HydrophobicContact CB-CG1 3.5Å; P1544-V1660 HydrophobicContact CG-CG1 3.28Å; I1640-V1660 HydrophobicContact CD1-CG2 4.28Å; V1660-V1747 HydrophobicContact CB-CG1 4.33Å; V1660-V1747 WeakPolarHBondContact CB-O 3.4Å; V1660-V1747 HydrophobicContact CG2-CG1 4.44Å; V1660-V1747 PolarHBondContact N-O 2.67Å; V1660-M1749 HydrophobicContact CG2-CB 3.59Å
1661W95.8Very high96.2Very high20 Ų2042.4 Ų42.48%0.07624%0.243CC..EExtended strand (participates in β ladder)trans-151.7170.2167.267.586.9000110.8F1531 R1533 I1640 P1684 C1687 E1689 Q1746 V1747F1531-W1661 AromaticContact CD2-CH2 3.86Å; F1531-W1661 HydrophobicContact CD2-CH2 3.86Å; F1531-W1661 HydrophobicContact CD2-CZ3 4.09Å; F1531-W1661 AromaticContact CE2-CH2 3.83Å; F1531-W1661 HydrophobicContact CE2-CH2 3.83Å; F1531-W1661 AromaticContact CE2-CZ3 3.58Å; F1531-W1661 HydrophobicContact CE2-CZ3 3.58Å; F1531-W1661 HydrophobicContact CZ-CZ3 4.26Å; R1533-W1661 HydrophobicContact CB-CH2 4.36Å; R1533-W1661 HydrophobicContact CG-CH2 4.23Å; R1533-W1661 HydrophobicContact CG-CZ3 4.26Å; I1640-W1661 HydrophobicContact CD1-CZ3 4.29Å; W1661-P1684 HydrophobicContact CH2-CB 3.84Å; W1661-P1684 HydrophobicContact CZ2-CB 3.8Å; W1661-C1687 PolarHBondContact NE1-O 2.86Å; W1661-E1689 HydrophobicContact CB-CG 4.24Å; W1661-E1689 HydrophobicContact CG-CG 3.86Å; W1661-Q1746 VanDerWaalsContact C-NE2 3.35Å; W1661-Q1746 PolarHBondContact O-NE2 3.48Å; W1661-V1747 HydrophobicContact CD2-CB 3.8Å; W1661-V1747 HydrophobicContact CD2-CG1 4.25Å; W1661-V1747 HydrophobicContact CD2-CG2 4.04Å; W1661-V1747 VanDerWaalsContact CE2-CG2 3.42Å; W1661-V1747 HydrophobicContact CE3-CB 4.18Å; W1661-V1747 HydrophobicContact CE3-CG1 4.15Å; W1661-V1747 HydrophobicContact CG-CB 4.23Å; W1661-V1747 HydrophobicContact CG-CG2 4.43Å; W1661-V1747 HydrophobicContact CH2-CB 4.4Å; W1661-V1747 HydrophobicContact CH2-CG1 3.91Å; W1661-V1747 HydrophobicContact CH2-CG2 4.41Å; W1661-V1747 HydrophobicContact CZ2-CB 4.06Å; W1661-V1747 HydrophobicContact CZ2-CG1 4.02Å; W1661-V1747 HydrophobicContact CZ2-CG2 3.67Å; W1661-V1747 HydrophobicContact CZ3-CB 4.44Å; W1661-V1747 HydrophobicContact CZ3-CG1 3.97Å; W1661-V1747 PolarHBondContact O-N 3.18Å
1662S97.4Very high95.9Very high40 Ų4042.6 Ų42.628%0.2825%0.246SC..EExtended strand (participates in β ladder)trans-126.2150.4172.478.70000110C1745S1662-C1745 WeakPolarHBondContact CA-O 3.47Å
1663G97.1Very high95.5Very high0 Ų039.9 Ų39.90%025%0.245CC..EExtended strand (participates in β ladder)trans-156.4-150-171.700000113.4L1688 R1744 C1745G1663-L1688 CarbonylContact C-O 3.52Å; G1663-L1688 WeakPolarHBondContact CA-O 3.42Å; G1663-R1744 PolarHBondContact O-NE 3.47Å; G1663-R1744 PolarHBondContact O-NH2 3.13Å; G1663-C1745 PolarHBondContact N-O 3.4Å; G1663-C1745 PolarHBondContact O-N 2.79Å
1664Y98.1Very high95.1Very high31 Ų3142.6 Ų42.612%0.12227%0.268CS..EExtended strand (participates in β ladder)trans-127.9141.8178.4-57.6-98.4000109.5F1666 L1688 F1691 K1739 I1742 C1745Y1664-F1666 PolarHBondContact O-N 3.38Å; Y1664-L1688 PolarHBondContact N-O 3.18Å; Y1664-L1688 PolarHBondContact O-N 3.21Å; Y1664-F1691 HydrophobicContact CD1-CB 3.83Å; Y1664-F1691 HydrophobicContact CD2-CB 3.66Å; Y1664-F1691 HydrophobicContact CE1-CB 4.12Å; Y1664-F1691 HydrophobicContact CE2-CB 3.99Å; Y1664-F1691 HydrophobicContact CG-CB 3.59Å; Y1664-K1739 HydrophobicContact CE1-CB 4.31Å; Y1664-K1739 HydrophobicContact CE1-CD 4.15Å; Y1664-K1739 HydrophobicContact CE1-CG 4.16Å; Y1664-I1742 HydrophobicContact CD1-CG2 4.09Å; Y1664-C1745 VanDerWaalsContact C-SG 3.52Å; Y1664-C1745 PolarHBondContact N-SG 2.99Å
1665S98.2Very high94.8Very high0 Ų043.5 Ų43.50%027%0.268CS..EExtended strand (participates in β ladder)trans-78.992.2-168.4-51.90000111.7H1644 S1686 W1715 L1716 S1743 R1744H1644-S1665 WeakPolarHBondContact ND1-CB 3.49Å; H1644-S1665 PolarHBondContact ND1-OG 3.15Å; S1665-S1686 CarbonylContact C-O 3.47Å; S1665-S1686 WeakPolarHBondContact CA-O 3.07Å; S1665-W1715 CarbonylContact O-C 3.53Å; S1665-W1715 WeakPolarHBondContact O-CA 3.17Å; S1665-W1715 WeakPolarHBondContact O-CB 3.42Å; S1665-L1716 PolarHBondContact O-N 2.88Å; S1665-S1743 WeakPolarHBondContact CB-O 3.47Å; S1665-S1743 PolarHBondContact N-O 3.42Å; S1665-S1743 VanDerWaalsContact OG-CB 3.31Å; S1665-S1743 WeakPolarHBondContact OG-CB 3.27Å; S1665-S1743 PolarHBondContact OG-O 2.86Å; S1665-S1743 PolarHBondContact OG-OG 3.32Å; S1665-R1744 PolarHBondContact OG-O 3.28Å; S1665-R1744 VanDerWaalsContact OG-O 3.05Å
1666F97.9Very high94.6Very high0 Ų034.9 Ų34.90%023%0.232CC..EExtended strand (participates in β ladder)trans-84.9133.7174.1-179.3-129.6000109.6L1557 L1570 Y1664 M1668 H1669 Q1679 S1686 L1688 P1695 A1713 W1715L1557-F1666 HydrophobicContact CD1-CE1 4.11Å; L1557-F1666 HydrophobicContact CD1-CZ 4.46Å; L1570-F1666 HydrophobicContact CD1-CD1 4.09Å; L1570-F1666 HydrophobicContact CD1-CE1 3.86Å; Y1664-F1666 PolarHBondContact O-N 3.38Å; F1666-M1668 WeakPolarHBondContact CE2-O 3.49Å; F1666-H1669 HydrophobicContact CE2-CB 4.26Å; F1666-H1669 HydrophobicContact CZ-CB 4.01Å; F1666-H1669 AromaticContact CZ-ND1 3.48Å; F1666-H1669 WeakPolarHBondContact CZ-ND1 3.38Å; F1666-Q1679 HydrophobicContact CD1-CG 3.8Å; F1666-Q1679 HydrophobicContact CE1-CG 3.91Å; F1666-S1686 PolarHBondContact N-O 2.89Å; F1666-S1686 VanDerWaalsContact O-CA 3.27Å; F1666-S1686 WeakPolarHBondContact O-CA 3.32Å; F1666-S1686 WeakPolarHBondContact O-CB 3.39Å; F1666-L1688 HydrophobicContact CB-CD1 3.98Å; F1666-L1688 HydrophobicContact CB-CG 4.19Å; F1666-L1688 HydrophobicContact CD1-CD1 3.68Å; F1666-L1688 HydrophobicContact CD1-CG 4.18Å; F1666-L1688 HydrophobicContact CD2-CD1 4.46Å; F1666-L1688 HydrophobicContact CE1-CD1 4.22Å; F1666-L1688 HydrophobicContact CG-CD1 3.8Å; F1666-L1688 HydrophobicContact CG-CG 4.42Å; F1666-P1695 HydrophobicContact CE2-CG 4.11Å; F1666-P1695 HydrophobicContact CZ-CG 4.31Å; F1666-A1713 HydrophobicContact CD2-CB 4.49Å; F1666-A1713 HydrophobicContact CE2-CB 3.87Å; F1666-W1715 HydrophobicContact CB-CE3 3.93Å; F1666-W1715 HydrophobicContact CB-CH2 4.22Å; F1666-W1715 HydrophobicContact CB-CZ3 3.73Å; F1666-W1715 HydrophobicContact CD2-CD2 4.4Å; F1666-W1715 HydrophobicContact CD2-CH2 4.34Å; F1666-W1715 HydrophobicContact CD2-CZ2 4.19Å; F1666-W1715 HydrophobicContact CG-CZ3 4.47Å
1667I97.1Very high94.7Very high50 Ų5034.6 Ų34.626%0.25622%0.224SC..EExtended strand (participates in β ladder)trans-125.2-37.7-175.2-174.2171.4000114G1678 Q1679 L1681 F1714 L1716I1667-G1678 CarbonylContact O-C 3.55Å; I1667-G1678 WeakPolarHBondContact O-CA 3.26Å; I1667-Q1679 PolarHBondContact O-N 3.32Å; I1667-L1681 HydrophobicContact CB-CD2 4.15Å; I1667-L1681 HydrophobicContact CD1-CD1 4.07Å; I1667-L1681 HydrophobicContact CD1-CD2 4.07Å; I1667-L1681 HydrophobicContact CD1-CG 4.31Å; I1667-L1681 HydrophobicContact CG1-CD2 3.97Å; I1667-L1681 HydrophobicContact CG1-CG 4.45Å; I1667-F1714 HydrophobicContact CG2-CB 4.1Å; I1667-F1714 WeakPolarHBondContact CG2-O 3.19Å; I1667-F1714 PolarHBondContact N-O 3.22Å; I1667-L1716 HydrophobicContact CD1-CD2 3.95Å
1668M96.4Very high94.7Very high74 Ų7434.5 Ų34.537%0.36524%0.237SC..EExtended strand (participates in β ladder)trans-161.3171.917665.1178.3-67.500112.1F1666 T1670 T1677 F1714F1666-M1668 WeakPolarHBondContact CE2-O 3.49Å; M1668-T1670 HydrophobicContact CE-CG2 4.21Å; M1668-T1677 VanDerWaalsContact CA-O 3.27Å; M1668-T1677 WeakPolarHBondContact CA-O 3.25Å; M1668-T1677 WeakPolarHBondContact CB-O 3.24Å; M1668-F1714 HydrophobicContact CG-CB 3.57Å; M1668-F1714 HydrophobicContact CG-CD2 3.67Å; M1668-F1714 HydrophobicContact CG-CG 3.74Å; M1668-F1714 PolarHBondContact O-N 2.96Å; M1668-F1714 HydrophobicContact SD-CD2 4.45Å; M1668-F1714 HydrophobicContact SD-CG 4.45Å
1669H96.1Very high94.8Very high0 Ų032 Ų320%022%0.222CC..EExtended strand (participates in β ladder)trans-147.5158.2178.851.7-91.5000111.2L1557 Y1558 F1666 G1676 T1677 F1696 H1712L1557-H1669 VanDerWaalsContact CG-CE1 3.48Å; L1557-H1669 WeakPolarHBondContact CG-CE1 3.34Å; Y1558-H1669 AromaticContact CD1-CD2 3.46Å; Y1558-H1669 VanDerWaalsContact CD1-CD2 3.46Å; Y1558-H1669 WeakPolarHBondContact CD1-CD2 3.46Å; Y1558-H1669 AromaticContact CD1-NE2 3.1Å; Y1558-H1669 WeakPolarHBondContact CD1-NE2 3.26Å; Y1558-H1669 AromaticContact CE1-CD2 3.19Å; Y1558-H1669 WeakPolarHBondContact CE1-CD2 3.43Å; Y1558-H1669 AromaticContact CE1-NE2 3.41Å; Y1558-H1669 WeakPolarHBondContact CE1-NE2 3.39Å; Y1558-H1669 AromaticContact CG-NE2 3.79Å; Y1558-H1669 AromaticContact CZ-CD2 3.93Å; F1666-H1669 HydrophobicContact CE2-CB 4.26Å; F1666-H1669 HydrophobicContact CZ-CB 4.01Å; F1666-H1669 AromaticContact CZ-ND1 3.48Å; F1666-H1669 WeakPolarHBondContact CZ-ND1 3.38Å; H1669-G1676 CarbonylContact O-C 3.57Å; H1669-G1676 VanDerWaalsContact O-C 3.3Å; H1669-G1676 VanDerWaalsContact O-CA 3.3Å; H1669-G1676 WeakPolarHBondContact O-CA 3.42Å; H1669-T1677 PolarHBondContact CD2-N 3.34Å; H1669-T1677 PolarHBondContact CE1-O 2.99Å; H1669-T1677 PolarHBondContact CE1-OG1 3.14Å; H1669-T1677 PolarHBondContact N-O 2.89Å; H1669-T1677 VanDerWaalsContact N-O 3.07Å; H1669-T1677 PolarHBondContact ND1-O 3.37Å; H1669-T1677 PolarHBondContact NE2-N 2.74Å; H1669-T1677 PolarHBondContact NE2-OG1 2.98Å; H1669-T1677 PolarHBondContact O-N 3Å; H1669-F1696 HydrophobicContact CB-CD1 4.17Å; H1669-F1696 HydrophobicContact CB-CE1 3.66Å; H1669-F1696 HydrophobicContact CB-CZ 4.22Å; H1669-H1712 CarbonylContact C-O 3.6Å; H1669-H1712 VanDerWaalsContact CA-O 3.25Å; H1669-H1712 WeakPolarHBondContact CA-O 3.11Å
1670T96Very high94.8Very high19 Ų1932.5 Ų32.512%0.11722%0.216CC..EExtended strand (participates in β ladder)trans-146.2148.8175.2590000111.1M1668 A1674 E1675 N1711 H1712 F1714M1668-T1670 HydrophobicContact CE-CG2 4.21Å; T1670-A1674 WeakPolarHBondContact CG2-O 3.09Å; T1670-E1675 CarbonylContact C-O 3.44Å; T1670-E1675 WeakPolarHBondContact CA-O 3.15Å; T1670-N1711 WeakPolarHBondContact O-CA 2.92Å; T1670-H1712 PolarHBondContact N-O 3.28Å; T1670-H1712 PolarHBondContact O-N 3.04Å; T1670-F1714 HydrophobicContact CG2-CE2 4.07Å
1671A94.1Very high94.9Very high2 Ų234 Ų342%0.01722%0.223CC..  trans-145.9-118.2175.500000112.7Y1558 Y1604 G1673 A1674 E1675 F1696 N1711Y1558-A1671 WeakPolarHBondContact OH-CB 2.9Å; Y1558-A1671 PolarHBondContact OH-N 2.9Å; Y1604-A1671 HydrophobicContact CD1-CB 4.2Å; Y1604-A1671 HydrophobicContact CE1-CB 3.39Å; A1671-G1673 PolarHBondContact O-N 3.45Å; A1671-A1674 WeakPolarHBondContact O-CA 3.09Å; A1671-A1674 PolarHBondContact O-N 3.25Å; A1671-E1675 PolarHBondContact N-O 2.85Å; A1671-F1696 HydrophobicContact CB-CE2 3.95Å; A1671-F1696 HydrophobicContact CB-CZ 4.24Å; A1671-N1711 HydrophobicContact CB-CB 4.5Å; A1671-N1711 WeakPolarHBondContact CB-OD1 3.45Å
1672A90Very high95Very high18 Ų1839.1 Ų39.115%0.14925%0.248CC..G310 helixtrans-59.6126.7-17500000111.9Q1560 Y1602 Y1604 A1674 E1675Q1560-A1672 PolarHBondContact NE2-O 3.25Å; Y1602-A1672 HydrophobicContact CD1-CB 4.46Å; Y1602-A1672 HydrophobicContact CE1-CB 4.22Å; Y1604-A1672 VanDerWaalsContact OH-CB 3.29Å; Y1604-A1672 WeakPolarHBondContact OH-CB 3.29Å; Y1604-A1672 PolarHBondContact OH-N 3.01Å; A1672-A1674 PolarHBondContact O-N 3Å; A1672-E1675 PolarHBondContact O-N 2.89Å
1673G88.8Confident95Very high75 Ų7537.9 Ų37.977%0.77324%0.239SC*.G310 helixtrans74.25.6-17400000115.3A1671 E1675A1671-G1673 PolarHBondContact O-N 3.45Å; G1673-E1675 PolarHBondContact O-N 3.34Å
1674A89.2Confident95Very high75 Ų7538.3 Ų38.362%0.6224%0.242SC*.G310 helixtrans63.415.1-165.900000114.6T1670 A1671 A1672T1670-A1674 WeakPolarHBondContact CG2-O 3.09Å; A1671-A1674 WeakPolarHBondContact O-CA 3.09Å; A1671-A1674 PolarHBondContact O-N 3.25Å; A1672-A1674 PolarHBondContact O-N 3Å
1675E91.4Very high95Very high71 Ų7137 Ų3733%0.33224%0.238SC..  trans-77.6153.1172.4-73.7-81.9137.900111.7Y1558 G1563 S1565 T1670 A1671 A1672 G1673Y1558-E1675 PolarHBondContact OH-O 3.4Å; G1563-E1675 WeakPolarHBondContact O-CG 3.26Å; S1565-E1675 WeakPolarHBondContact CB-OE2 3.49Å; S1565-E1675 PolarHBondContact N-OE2 3.1Å; S1565-E1675 PolarHBondContact OG-OE2 3.01Å; T1670-E1675 CarbonylContact C-O 3.44Å; T1670-E1675 WeakPolarHBondContact CA-O 3.15Å; A1671-E1675 PolarHBondContact N-O 2.85Å; A1672-E1675 PolarHBondContact O-N 2.89Å; G1673-E1675 PolarHBondContact O-N 3.34Å
1676G91.2Very high95Very high18 Ų1837 Ų3719%0.18624%0.238CC..  trans152.5170-176.500000111.2S1565 H1669S1565-G1676 PolarHBondContact OG-N 3.18Å; H1669-G1676 CarbonylContact O-C 3.57Å; H1669-G1676 VanDerWaalsContact O-C 3.3Å; H1669-G1676 VanDerWaalsContact O-CA 3.3Å; H1669-G1676 WeakPolarHBondContact O-CA 3.42Å
1677T95.4Very high95Very high27 Ų2737.1 Ų37.117%0.16624%0.238CC..  trans-123.2170.6-167.869.30000114.3G1567 M1668 H1669G1567-T1677 WeakPolarHBondContact CA-OG1 3.09Å; M1668-T1677 VanDerWaalsContact CA-O 3.27Å; M1668-T1677 WeakPolarHBondContact CA-O 3.25Å; M1668-T1677 WeakPolarHBondContact CB-O 3.24Å; H1669-T1677 PolarHBondContact CD2-N 3.34Å; H1669-T1677 PolarHBondContact CE1-O 2.99Å; H1669-T1677 PolarHBondContact CE1-OG1 3.14Å; H1669-T1677 PolarHBondContact N-O 2.89Å; H1669-T1677 VanDerWaalsContact N-O 3.07Å; H1669-T1677 PolarHBondContact ND1-O 3.37Å; H1669-T1677 PolarHBondContact NE2-N 2.74Å; H1669-T1677 PolarHBondContact NE2-OG1 2.98Å; H1669-T1677 PolarHBondContact O-N 3Å
1678G93.8Very high95Very high41 Ų4135 Ų3542%0.42323%0.228SC..BIsolated β-bridgetrans-83.8-176.9171.600000113.6I1667I1667-G1678 CarbonylContact O-C 3.55Å; I1667-G1678 WeakPolarHBondContact O-CA 3.26Å
1679Q96.4Very high95Very high14 Ų1434.6 Ų34.67%0.06523%0.225CC..  trans-127148.1159.1-61.2-66.3-78.300107Q1568 F1666 I1667Q1568-Q1679 PolarHBondContact O-NE2 3.19Å; Q1568-Q1679 VanDerWaalsContact O-NE2 3.16Å; F1666-Q1679 HydrophobicContact CD1-CG 3.8Å; F1666-Q1679 HydrophobicContact CE1-CG 3.91Å; I1667-Q1679 PolarHBondContact O-N 3.32Å
1680D96.2Very high95Very high78 Ų7836 Ų3642%0.41723%0.233SC..  trans-72.8129.9170.6-170.3-18.6000109.5D1569 Q1682 S1683 S1686D1569-D1680 PolarHBondContact OD2-N 2.91Å; D1680-Q1682 PolarHBondContact O-N 3.44Å; D1680-Q1682 WeakPolarHBondContact OD1-CG 3.34Å; D1680-Q1682 PolarHBondContact OD1-N 2.81Å; D1680-Q1682 PolarHBondContact OD2-NE2 2.75Å; D1680-S1683 VanDerWaalsContact O-CB 3.3Å; D1680-S1683 WeakPolarHBondContact O-CB 3.22Å; D1680-S1683 PolarHBondContact O-N 2.78Å; D1680-S1686 WeakPolarHBondContact O-CB 2.86Å
1681L97.3Very high94.9Very high62 Ų6236 Ų3633%0.32523%0.231SC..THydrogen-bonded Turntrans-65.6-22.1179.9-67.8178.7000113H1644 I1667 S1686 L1716H1644-L1681 PolarHBondContact CD2-O 2.96Å; H1644-L1681 PolarHBondContact NE2-O 3.49Å; I1667-L1681 HydrophobicContact CB-CD2 4.15Å; I1667-L1681 HydrophobicContact CD1-CD1 4.07Å; I1667-L1681 HydrophobicContact CD1-CD2 4.07Å; I1667-L1681 HydrophobicContact CD1-CG 4.31Å; I1667-L1681 HydrophobicContact CG1-CD2 3.97Å; I1667-L1681 HydrophobicContact CG1-CG 4.45Å; L1681-S1686 PolarHBondContact O-OG 2.67Å; L1681-L1716 HydrophobicContact CD1-CD1 4.23Å; L1681-L1716 HydrophobicContact CD2-CD1 3.93Å; L1681-L1716 HydrophobicContact CD2-CG 4.4Å
1682Q97Very high94.8Very high127 Ų12737.4 Ų37.459%0.59324%0.236SC*.THydrogen-bonded Turntrans-80.9-16.4171.480-165.2-44.500113.1I1641 A1642 D1680I1641-Q1682 CarbonylContact C-O 3.5Å; I1641-Q1682 VanDerWaalsContact CA-O 3.31Å; I1641-Q1682 WeakPolarHBondContact CA-O 3.24Å; A1642-Q1682 PolarHBondContact N-O 2.92Å; D1680-Q1682 PolarHBondContact O-N 3.44Å; D1680-Q1682 WeakPolarHBondContact OD1-CG 3.34Å; D1680-Q1682 PolarHBondContact OD1-N 2.81Å; D1680-Q1682 PolarHBondContact OD2-NE2 2.75Å
1683S97.3Very high94.9Very high13 Ų1339.4 Ų39.49%0.09125%0.252CS..SBendtrans-79.1144.2-178.2178.60000111.9D1569 G1571 A1642 D1680 G1685 S1686D1569-S1683 VanDerWaalsContact OD1-CB 3.29Å; D1569-S1683 WeakPolarHBondContact OD1-CB 3.31Å; D1569-S1683 PolarHBondContact OD1-OG 3.01Å; G1571-S1683 WeakPolarHBondContact CA-OG 3.38Å; A1642-S1683 WeakPolarHBondContact CB-O 3.31Å; D1680-S1683 VanDerWaalsContact O-CB 3.3Å; D1680-S1683 WeakPolarHBondContact O-CB 3.22Å; D1680-S1683 PolarHBondContact O-N 2.78Å; S1683-G1685 PolarHBondContact O-N 3.43Å; S1683-G1685 PolarHBondContact OG-N 3.17Å; S1683-S1686 PolarHBondContact O-N 3.49Å; S1683-S1686 VanDerWaalsContact O-N 3.1Å; S1683-S1686 PolarHBondContact O-OG 3.21Å
1684P97.5Very high95.2Very high10 Ų1038.7 Ų38.77%0.06523%0.23CC..G310 helixtrans-49.8-24.7167.4-26.734.9000114.6F1531 I1640 W1661 S1686 C1687 V1747F1531-P1684 HydrophobicContact CB-CG 4.42Å; I1640-P1684 HydrophobicContact CD1-CG 4.24Å; I1640-P1684 HydrophobicContact CG1-CG 4.08Å; I1640-P1684 HydrophobicContact CG2-CG 3.88Å; W1661-P1684 HydrophobicContact CH2-CB 3.84Å; W1661-P1684 HydrophobicContact CZ2-CB 3.8Å; P1684-S1686 VanDerWaalsContact C-N 3.28Å; P1684-S1686 PolarHBondContact O-N 3.04Å; P1684-C1687 PolarHBondContact O-N 3.31Å; P1684-V1747 HydrophobicContact CB-CG1 4.06Å; P1684-V1747 HydrophobicContact CB-CG2 4.23Å; P1684-V1747 HydrophobicContact CG-CG1 4.14Å
1685G97.2Very high95.5Very high3 Ų335.1 Ų35.13%0.03120%0.201CC..G310 helixtrans-65.1-2417900000115.4L1570 S1683 C1687L1570-G1685 VanDerWaalsContact C-CA 3.48Å; S1683-G1685 PolarHBondContact O-N 3.43Å; S1683-G1685 PolarHBondContact OG-N 3.17Å; G1685-C1687 PolarHBondContact O-N 2.9Å
1686S98.3Very high95.8Very high0 Ų031.7 Ų31.70%019%0.185CC..G310 helixtrans-72.5-8172.271.70000113.3A1642 H1644 S1665 F1666 D1680 L1681 S1683 P1684A1642-S1686 VanDerWaalsContact CB-OG 3.28Å; A1642-S1686 WeakPolarHBondContact CB-OG 3.47Å; H1644-S1686 PolarHBondContact CE1-OG 3.14Å; H1644-S1686 PolarHBondContact NE2-OG 3.13Å; S1665-S1686 CarbonylContact C-O 3.47Å; S1665-S1686 WeakPolarHBondContact CA-O 3.07Å; F1666-S1686 PolarHBondContact N-O 2.89Å; F1666-S1686 VanDerWaalsContact O-CA 3.27Å; F1666-S1686 WeakPolarHBondContact O-CA 3.32Å; F1666-S1686 WeakPolarHBondContact O-CB 3.39Å; D1680-S1686 WeakPolarHBondContact O-CB 2.86Å; L1681-S1686 PolarHBondContact O-OG 2.67Å; S1683-S1686 PolarHBondContact O-N 3.49Å; S1683-S1686 VanDerWaalsContact O-N 3.1Å; S1683-S1686 PolarHBondContact O-OG 3.21Å; P1684-S1686 VanDerWaalsContact C-N 3.28Å; P1684-S1686 PolarHBondContact O-N 3.04Å
1687C98.2Very high96.1Very high2 Ų230.9 Ų30.91%0.01418%0.176CC..EExtended strand (participates in β ladder)trans-120.870.6-170.2-166.30000113.3A1642 W1661 P1684 G1685 C1745 V1747A1642-C1687 HydrophobicContact CB-CB 4.16Å; W1661-C1687 PolarHBondContact NE1-O 2.86Å; P1684-C1687 PolarHBondContact O-N 3.31Å; G1685-C1687 PolarHBondContact O-N 2.9Å; C1687-C1745 WeakPolarHBondContact CA-SG 3.5Å; C1687-C1745 HydrophobicContact CB-CB 3.84Å; C1687-C1745 WeakPolarHBondContact CB-SG 3.21Å; C1687-C1745 VanDerWaalsContact SG-C 3.51Å; C1687-C1745 WeakPolarHBondContact SG-CB 3.41Å; C1687-C1745 CovalentContact SG-SG 2.03Å; C1687-C1745 PolarHBondContact SG-SG 2.76Å; C1687-V1747 HydrophobicContact CB-CG2 3.54Å
1688L97.8Very high96.1Very high7 Ų729.9 Ų29.94%0.03717%0.17CC..EExtended strand (participates in β ladder)trans-66.8128.5175.4-71.2178.9000111.5Q1536 L1570 L1606 G1663 Y1664 F1666 D1690 P1695 W1715Q1536-L1688 HydrophobicContact CG-CD2 4.42Å; L1570-L1688 HydrophobicContact CD1-CD2 4.16Å; L1606-L1688 HydrophobicContact CD1-CD2 3.96Å; L1606-L1688 HydrophobicContact CD2-CD1 4.46Å; G1663-L1688 CarbonylContact C-O 3.52Å; G1663-L1688 WeakPolarHBondContact CA-O 3.42Å; Y1664-L1688 PolarHBondContact N-O 3.18Å; Y1664-L1688 PolarHBondContact O-N 3.21Å; F1666-L1688 HydrophobicContact CB-CD1 3.98Å; F1666-L1688 HydrophobicContact CB-CG 4.19Å; F1666-L1688 HydrophobicContact CD1-CD1 3.68Å; F1666-L1688 HydrophobicContact CD1-CG 4.18Å; F1666-L1688 HydrophobicContact CD2-CD1 4.46Å; F1666-L1688 HydrophobicContact CE1-CD1 4.22Å; F1666-L1688 HydrophobicContact CG-CD1 3.8Å; F1666-L1688 HydrophobicContact CG-CG 4.42Å; L1688-D1690 VanDerWaalsContact C-N 3.33Å; L1688-D1690 PolarHBondContact O-N 3.29Å; L1688-P1695 HydrophobicContact CD1-CB 4.14Å; L1688-P1695 HydrophobicContact CD1-CG 4.41Å; L1688-W1715 HydrophobicContact CB-CH2 4.34Å; L1688-W1715 HydrophobicContact CB-CZ3 4.34Å; L1688-W1715 HydrophobicContact CD1-CH2 3.83Å; L1688-W1715 HydrophobicContact CD1-CZ3 4.39Å
1689E96.3Very high96.3Very high64 Ų6428 Ų2830%0.29915%0.149SC..SBendtrans-64.4-34.5-175.8-68.2-175.1-11200112.6R1533 W1661R1533-E1689 IonicContact CZ-OE1 3.93Å; R1533-E1689 VanDerWaalsContact CZ-OE1 3.27Å; R1533-E1689 IonicContact CZ-OE2 3.92Å; R1533-E1689 IonicContact NE-OE1 2.81Å; R1533-E1689 PolarHBondContact NE-OE1 2.91Å; R1533-E1689 IonicContact NH2-OE1 2.67Å; R1533-E1689 PolarHBondContact NH2-OE1 2.04Å; R1533-E1689 IonicContact NH2-OE2 3.13Å; R1533-E1689 PolarHBondContact NH2-OE2 3.49Å; W1661-E1689 HydrophobicContact CB-CG 4.24Å; W1661-E1689 HydrophobicContact CG-CG 3.86Å
1690D94.7Very high96.2Very high31 Ų3128 Ų2817%0.16615%0.15CC..SBendtrans-122.6113.9-179.2-174.138.4000112.9Q1536 K1609 L1688 R1692 K1739Q1536-D1690 PolarHBondContact NE2-O 3.44Å; Q1536-D1690 PolarHBondContact OE1-O 3.25Å; K1609-D1690 WeakPolarHBondContact CE-OD2 3.37Å; K1609-D1690 IonicContact NZ-OD2 3.42Å; K1609-D1690 PolarHBondContact NZ-OD2 3.46Å; L1688-D1690 VanDerWaalsContact C-N 3.33Å; L1688-D1690 PolarHBondContact O-N 3.29Å; D1690-R1692 PolarHBondContact O-N 3.17Å; D1690-R1692 IonicContact OD2-CZ 2.66Å; D1690-R1692 VanDerWaalsContact OD2-CZ 3.26Å; D1690-R1692 IonicContact OD2-NE 2.86Å; D1690-R1692 PolarHBondContact OD2-NE 3.21Å; D1690-R1692 IonicContact OD2-NH2 2.73Å; D1690-R1692 PolarHBondContact OD2-NH2 2.63Å; D1690-K1739 IonicContact OD1-NZ 2.64Å
1691F95.4Very high96Very high19 Ų1924.7 Ų24.78%0.08313%0.134CC..  trans-63.6129174.5165.5-99.1000112.4Y1664 A1693 W1715 L1738 K1739 I1742Y1664-F1691 HydrophobicContact CD1-CB 3.83Å; Y1664-F1691 HydrophobicContact CD2-CB 3.66Å; Y1664-F1691 HydrophobicContact CE1-CB 4.12Å; Y1664-F1691 HydrophobicContact CE2-CB 3.99Å; Y1664-F1691 HydrophobicContact CG-CB 3.59Å; F1691-A1693 HydrophobicContact CZ-CB 4.43Å; F1691-W1715 AromaticContact CD2-CD2 3.88Å; F1691-W1715 HydrophobicContact CD2-CD2 3.88Å; F1691-W1715 AromaticContact CD2-CE2 3.66Å; F1691-W1715 HydrophobicContact CD2-CE3 4.09Å; F1691-W1715 AromaticContact CD2-CH2 3.95Å; F1691-W1715 HydrophobicContact CD2-CH2 3.95Å; F1691-W1715 AromaticContact CD2-CZ2 3.72Å; F1691-W1715 HydrophobicContact CD2-CZ2 3.72Å; F1691-W1715 HydrophobicContact CD2-CZ3 4.13Å; F1691-W1715 HydrophobicContact CE2-CD2 4.07Å; F1691-W1715 AromaticContact CE2-CE2 3.66Å; F1691-W1715 HydrophobicContact CE2-CG 4.36Å; F1691-W1715 HydrophobicContact CE2-CZ2 4.03Å; F1691-W1715 AromaticContact CE2-NE1 3.67Å; F1691-L1738 HydrophobicContact CE1-CB 3.67Å; F1691-L1738 HydrophobicContact CE1-CD1 3.92Å; F1691-L1738 HydrophobicContact CE1-CG 4.39Å; F1691-L1738 HydrophobicContact CZ-CB 3.94Å; F1691-L1738 HydrophobicContact CZ-CD1 4.06Å; F1691-L1738 HydrophobicContact CZ-CG 4.45Å; F1691-K1739 HydrophobicContact CB-CG 4.44Å; F1691-K1739 HydrophobicContact CD1-CD 4.35Å; F1691-K1739 HydrophobicContact CD1-CG 3.63Å; F1691-K1739 HydrophobicContact CE1-CG 4.33Å; F1691-K1739 HydrophobicContact CG-CG 4.28Å; F1691-I1742 HydrophobicContact CD1-CD1 4.43Å; F1691-I1742 HydrophobicContact CD2-CD1 3.43Å; F1691-I1742 VanDerWaalsContact CD2-CD1 3.43Å; F1691-I1742 HydrophobicContact CE1-CD1 4.18Å; F1691-I1742 HydrophobicContact CE2-CD1 3.13Å; F1691-I1742 HydrophobicContact CG-CD1 4.09Å; F1691-I1742 HydrophobicContact CZ-CD1 3.54Å
1692R92Very high95.8Very high30 Ų3029.2 Ų29.211%0.11315%0.147CC..  trans-125.1145.6167.6-50-72.31706214.3108.4Q1536 A1607 T1608 D1690 I1694 P1695 W1715Q1536-R1692 VanDerWaalsContact CB-NH2 3.3Å; Q1536-R1692 PolarHBondContact O-NH1 2.7Å; Q1536-R1692 PolarHBondContact O-NH2 2.76Å; A1607-R1692 PolarHBondContact O-NH1 2.69Å; T1608-R1692 PolarHBondContact O-NH1 2.83Å; D1690-R1692 PolarHBondContact O-N 3.17Å; D1690-R1692 IonicContact OD2-CZ 2.66Å; D1690-R1692 VanDerWaalsContact OD2-CZ 3.26Å; D1690-R1692 IonicContact OD2-NE 2.86Å; D1690-R1692 PolarHBondContact OD2-NE 3.21Å; D1690-R1692 IonicContact OD2-NH2 2.73Å; D1690-R1692 PolarHBondContact OD2-NH2 2.63Å; R1692-I1694 WeakPolarHBondContact CB-O 3.08Å; R1692-I1694 PolarHBondContact O-N 3.14Å; R1692-P1695 HydrophobicContact CB-CB 4.04Å; R1692-P1695 HydrophobicContact CG-CB 4.29Å; R1692-W1715 WeakPolarHBondContact O-CZ2 3.02Å
1693A91.9Very high95.7Very high61 Ų6124.3 Ų24.350%0.50413%0.13SC..SBendtrans-61.6-36.5171.600000112F1691 L1738F1691-A1693 HydrophobicContact CZ-CB 4.43Å; A1693-L1738 HydrophobicContact CB-CD1 4.43Å
1694I94.5Very high95.6Very high59 Ų5924.5 Ų24.530%0.30313%0.13SC..SBendtrans-130.9106.7170-55.9173.5000106.4R1692 F1696 N1711R1692-I1694 WeakPolarHBondContact CB-O 3.08Å; R1692-I1694 PolarHBondContact O-N 3.14Å; I1694-F1696 VanDerWaalsContact C-N 3.33Å; I1694-F1696 HydrophobicContact CG2-CD1 4.29Å; I1694-F1696 HydrophobicContact CG2-CE1 4.22Å; I1694-F1696 WeakPolarHBondContact CG2-O 3.1Å; I1694-N1711 HydrophobicContact CD1-CB 4.32Å; I1694-N1711 VanDerWaalsContact CD1-O 3.32Å; I1694-N1711 WeakPolarHBondContact CD1-O 3.1Å; I1694-N1711 WeakPolarHBondContact CG1-O 3.23Å; I1694-N1711 HydrophobicContact CG2-CB 3.88Å
1695P96.2Very high95.6Very high0 Ų024 Ų240%013%0.127CC..  trans-89.18.3-176.136-35.5000113.6L1606 A1607 F1666 L1688 R1692 A1713 W1715L1606-P1695 CarbonylContact C-O 3.51Å; L1606-P1695 WeakPolarHBondContact CA-O 3.36Å; L1606-P1695 HydrophobicContact CD2-CB 4.37Å; L1606-P1695 WeakPolarHBondContact CD2-O 3.26Å; A1607-P1695 PolarHBondContact N-O 3.14Å; F1666-P1695 HydrophobicContact CE2-CG 4.11Å; F1666-P1695 HydrophobicContact CZ-CG 4.31Å; L1688-P1695 HydrophobicContact CD1-CB 4.14Å; L1688-P1695 HydrophobicContact CD1-CG 4.41Å; R1692-P1695 HydrophobicContact CB-CB 4.04Å; R1692-P1695 HydrophobicContact CG-CB 4.29Å; P1695-A1713 HydrophobicContact CG-CB 3.84Å; P1695-W1715 HydrophobicContact CB-CZ2 4.36Å; P1695-W1715 HydrophobicContact CG-CZ2 4.01Å
1696F97.1Very high95.5Very high0 Ų024.3 Ų24.30%013%0.128CC..EExtended strand (participates in β ladder)trans-144.6152.7-172.771.3-90.2000113.1L1557 Y1604 W1605 H1669 A1671 I1694 H1707 N1711 A1713L1557-F1696 HydrophobicContact CD2-CB 3.57Å; L1557-F1696 HydrophobicContact CD2-CD1 3.99Å; L1557-F1696 HydrophobicContact CD2-CD2 4.33Å; L1557-F1696 HydrophobicContact CD2-CG 3.71Å; Y1604-F1696 HydrophobicContact CD1-CD2 4.03Å; Y1604-F1696 AromaticContact CD1-CE2 3.97Å; Y1604-F1696 HydrophobicContact CD1-CE2 3.97Å; Y1604-F1696 HydrophobicContact CE1-CE2 4.5Å; W1605-F1696 CarbonylContact O-C 3.57Å; W1605-F1696 WeakPolarHBondContact O-CA 3.35Å; W1605-F1696 VanDerWaalsContact O-CB 3.32Å; W1605-F1696 WeakPolarHBondContact O-CB 3.19Å; H1669-F1696 HydrophobicContact CB-CD1 4.17Å; H1669-F1696 HydrophobicContact CB-CE1 3.66Å; H1669-F1696 HydrophobicContact CB-CZ 4.22Å; A1671-F1696 HydrophobicContact CB-CE2 3.95Å; A1671-F1696 HydrophobicContact CB-CZ 4.24Å; I1694-F1696 VanDerWaalsContact C-N 3.33Å; I1694-F1696 HydrophobicContact CG2-CD1 4.29Å; I1694-F1696 HydrophobicContact CG2-CE1 4.22Å; I1694-F1696 WeakPolarHBondContact CG2-O 3.1Å; F1696-H1707 PolarHBondContact O-CE1 2.75Å; F1696-H1707 PolarHBondContact O-ND1 3.46Å; F1696-N1711 HydrophobicContact CE2-CB 3.93Å; F1696-N1711 HydrophobicContact CZ-CB 3.74Å; F1696-A1713 HydrophobicContact CE1-CB 4.46Å
1697I97.2Very high95.3Very high0 Ų026.5 Ų26.50%014%0.138CC..EExtended strand (participates in β ladder)trans-112147.6177.4-165.1171000110.3Y1604 W1605 A1607 Y1627 I1628 C1705 N1706Y1604-I1697 WeakPolarHBondContact CA-O 3.4Å; W1605-I1697 HydrophobicContact CB-CG2 4.31Å; W1605-I1697 PolarHBondContact N-O 3.34Å; W1605-I1697 VanDerWaalsContact N-O 3.15Å; W1605-I1697 PolarHBondContact O-N 2.99Å; A1607-I1697 HydrophobicContact CB-CB 4.32Å; Y1627-I1697 HydrophobicContact CD1-CD1 4.17Å; Y1627-I1697 HydrophobicContact CG-CD1 4.09Å; I1628-I1697 HydrophobicContact CD1-CG2 3.76Å; I1697-C1705 HydrophobicContact CD1-CB 3.91Å; I1697-C1705 HydrophobicContact CG1-CB 4.22Å; I1697-N1706 VanDerWaalsContact CG1-O 3.28Å; I1697-N1706 WeakPolarHBondContact CG1-O 3.41Å
1698E97Very high95.1Very high7 Ų729.4 Ų29.43%0.03315%0.149CC..EExtended strand (participates in β ladder)trans-98127.6177.3175.8178.6133.700110.5Y1602 Y1604 H1700 C1705 N1706 Y1708Y1602-E1698 HydrophobicContact CD1-CG 4.25Å; Y1604-E1698 HydrophobicContact CD1-CB 3.76Å; Y1604-E1698 HydrophobicContact CD1-CG 4Å; Y1604-E1698 HydrophobicContact CE1-CB 3.54Å; Y1604-E1698 HydrophobicContact CE1-CG 3.37Å; E1698-H1700 IonicContact OE1-CE1 2.9Å; E1698-H1700 PolarHBondContact OE1-CE1 2.98Å; E1698-H1700 IonicContact OE1-ND1 3.17Å; E1698-H1700 IonicContact OE1-NE2 3.99Å; E1698-C1705 CarbonylContact O-C 2.84Å; E1698-C1705 WeakPolarHBondContact O-CA 3.23Å; E1698-N1706 PolarHBondContact N-O 3.05Å; E1698-N1706 PolarHBondContact O-N 3.21Å; E1698-Y1708 HydrophobicContact CB-CD2 4.01Å; E1698-Y1708 HydrophobicContact CB-CE2 4.11Å; E1698-Y1708 VanDerWaalsContact CD-CD2 3.42Å; E1698-Y1708 HydrophobicContact CG-CD2 4.16Å; E1698-Y1708 HydrophobicContact CG-CE2 4.02Å; E1698-Y1708 WeakPolarHBondContact OE1-CD2 3.3Å; E1698-Y1708 WeakPolarHBondContact OE1-CE2 3.16Å; E1698-Y1708 WeakPolarHBondContact OE2-CD2 3.4Å
1699C96.6Very high94.8Very high0 Ų033.7 Ų33.70%019%0.186CC..EExtended strand (participates in β ladder)trans-119.3151.6178.1-66.50000110.9T1582 Y1602 T1603 T1704 C1705T1582-C1699 HydrophobicContact CG2-CB 4.18Å; Y1602-C1699 CarbonylContact C-O 3.54Å; Y1602-C1699 VanDerWaalsContact CA-O 3.26Å; Y1602-C1699 WeakPolarHBondContact CA-O 3.41Å; Y1602-C1699 WeakPolarHBondContact CB-O 3.15Å; T1603-C1699 PolarHBondContact N-O 2.75Å; T1603-C1699 WeakPolarHBondContact O-CA 3.37Å; T1603-C1699 WeakPolarHBondContact O-CB 3.35Å; T1603-C1699 PolarHBondContact O-N 3.47Å; C1699-T1704 CarbonylContact C-O 3.53Å; C1699-T1704 WeakPolarHBondContact CA-O 3.5Å; C1699-C1705 HydrophobicContact CB-CB 4.11Å; C1699-C1705 WeakPolarHBondContact CB-SG 3.46Å; C1699-C1705 WeakPolarHBondContact SG-CB 3.39Å; C1699-C1705 CovalentContact SG-SG 2.04Å; C1699-C1705 PolarHBondContact SG-SG 3.39Å
1700H95.2Very high94.7Very high16 Ų1634.5 Ų34.57%0.07420%0.195CC..EExtended strand (participates in β ladder)trans-124.5156.8-175-61.839.6000112.2T1582 Y1602 E1698 R1702 G1703 T1704 Y1708T1582-H1700 WeakPolarHBondContact CB-O 3.07Å; Y1602-H1700 AromaticContact CD1-CE1 3.94Å; Y1602-H1700 AromaticContact CD1-ND1 3.93Å; Y1602-H1700 AromaticContact CE1-CD2 3.93Å; Y1602-H1700 AromaticContact CE1-CE1 3.96Å; Y1602-H1700 AromaticContact CE1-NE2 3.81Å; E1698-H1700 IonicContact OE1-CE1 2.9Å; E1698-H1700 PolarHBondContact OE1-CE1 2.98Å; E1698-H1700 IonicContact OE1-ND1 3.17Å; E1698-H1700 IonicContact OE1-NE2 3.99Å; H1700-R1702 HydrophobicContact CB-CG 3.8Å; H1700-R1702 PolarHBondContact CD2-NE 3.41Å; H1700-R1702 PolarHBondContact CD2-NH2 2.95Å; H1700-R1702 PolarHBondContact NE2-NH2 3.25Å; H1700-R1702 PolarHBondContact O-N 3.25Å; H1700-R1702 VanDerWaalsContact O-N 3.09Å; H1700-G1703 PolarHBondContact O-N 3.33Å; H1700-T1704 PolarHBondContact N-O 3.21Å; H1700-Y1708 AromaticContact CE1-CE2 3.78Å; H1700-Y1708 AromaticContact CE1-CZ 3.94Å; H1700-Y1708 PolarHBondContact CE1-OH 3.1Å
1701G91.5Very high94.6Very high8 Ų833 Ų338%0.08219%0.188CC..THydrogen-bonded Turntrans-41.9-44.9169.300000114.9A1597 D1601 G1703A1597-G1701 WeakPolarHBondContact CB-O 3.08Å; D1601-G1701 PolarHBondContact O-N 2.93Å; G1701-G1703 PolarHBondContact O-N 2.81Å
1702R92.5Very high94.7Very high157 Ų15736.8 Ų36.859%0.59221%0.205SC*.THydrogen-bonded Turntrans-66.912.4178.665170.2176-155.4-9.6116.8H1700 T1704H1700-R1702 HydrophobicContact CB-CG 3.8Å; H1700-R1702 PolarHBondContact CD2-NE 3.41Å; H1700-R1702 PolarHBondContact CD2-NH2 2.95Å; H1700-R1702 PolarHBondContact NE2-NH2 3.25Å; H1700-R1702 PolarHBondContact O-N 3.25Å; H1700-R1702 VanDerWaalsContact O-N 3.09Å; R1702-T1704 HydrophobicContact CG-CG2 3.97Å; R1702-T1704 WeakPolarHBondContact CG-OG1 3.06Å; R1702-T1704 PolarHBondContact NE-OG1 3.12Å; R1702-T1704 PolarHBondContact O-N 3.19Å
1703G94.8Very high94.8Very high23 Ų2336.2 Ų36.224%0.23721%0.207CC..SBendtrans79.710.9176.800000116.4T1620 H1700 G1701T1620-G1703 WeakPolarHBondContact CA-O 3.36Å; H1700-G1703 PolarHBondContact O-N 3.33Å; G1701-G1703 PolarHBondContact O-N 2.81Å
1704T96.1Very high95.1Very high17 Ų1737.4 Ų37.410%0.10420%0.201CC..EExtended strand (participates in β ladder)trans-105.6140.3-177.860.10000112.5P1618 V1619 T1620 C1699 H1700 R1702P1618-T1704 HydrophobicContact CB-CG2 4.14Å; V1619-T1704 CarbonylContact O-C 3.58Å; V1619-T1704 WeakPolarHBondContact O-CA 3.27Å; T1620-T1704 HydrophobicContact CG2-CG2 3.71Å; C1699-T1704 CarbonylContact C-O 3.53Å; C1699-T1704 WeakPolarHBondContact CA-O 3.5Å; H1700-T1704 PolarHBondContact N-O 3.21Å; R1702-T1704 HydrophobicContact CG-CG2 3.97Å; R1702-T1704 WeakPolarHBondContact CG-OG1 3.06Å; R1702-T1704 PolarHBondContact NE-OG1 3.12Å; R1702-T1704 PolarHBondContact O-N 3.19Å
1705C97Very high95.2Very high0 Ų036.4 Ų36.40%019%0.193CC..EExtended strand (participates in β ladder)trans-126.4146.5167.8-53.50000112.8P1618 V1619 V1624 I1697 E1698 C1699P1618-C1705 CarbonylContact C-O 3.21Å; P1618-C1705 WeakPolarHBondContact CA-O 3.27Å; V1619-C1705 PolarHBondContact N-O 3.34Å; V1619-C1705 PolarHBondContact O-N 3.38Å; V1624-C1705 HydrophobicContact CG1-CB 4.15Å; V1624-C1705 VanDerWaalsContact CG1-SG 3.55Å; V1624-C1705 HydrophobicContact CG2-CB 4.27Å; I1697-C1705 HydrophobicContact CD1-CB 3.91Å; I1697-C1705 HydrophobicContact CG1-CB 4.22Å; E1698-C1705 CarbonylContact O-C 2.84Å; E1698-C1705 WeakPolarHBondContact O-CA 3.23Å; C1699-C1705 HydrophobicContact CB-CB 4.11Å; C1699-C1705 WeakPolarHBondContact CB-SG 3.46Å; C1699-C1705 WeakPolarHBondContact SG-CB 3.39Å; C1699-C1705 CovalentContact SG-SG 2.04Å; C1699-C1705 PolarHBondContact SG-SG 3.39Å
1706N96.2Very high95.2Very high10 Ų1038 Ų385%0.05320%0.202CC..EExtended strand (participates in β ladder)trans-158.1163.2178.6-157.1-21.6000111.4M1612 M1616 P1618 I1697 E1698 Y1708M1612-N1706 WeakPolarHBondContact CE-OD1 3.5Å; M1612-N1706 PolarHBondContact SD-OD1 3.34Å; M1612-N1706 VanDerWaalsContact SD-OD1 3.41Å; M1616-N1706 PolarHBondContact O-ND2 3.23Å; P1618-N1706 HydrophobicContact CB-CB 4.22Å; P1618-N1706 HydrophobicContact CG-CB 4.43Å; I1697-N1706 VanDerWaalsContact CG1-O 3.28Å; I1697-N1706 WeakPolarHBondContact CG1-O 3.41Å; E1698-N1706 PolarHBondContact N-O 3.05Å; E1698-N1706 PolarHBondContact O-N 3.21Å; N1706-Y1708 HydrophobicContact CB-CD2 4.37Å; N1706-Y1708 HydrophobicContact CB-CE1 4.29Å; N1706-Y1708 HydrophobicContact CB-CE2 3.71Å
1707H93.5Very high95.1Very high46 Ų4640.6 Ų40.621%0.21322%0.223CC..  trans-99.7109.8165.7-72-86.6000109.9M1612 F1696M1612-H1707 HydrophobicContact CG-CB 4.03Å; M1612-H1707 HydrophobicContact SD-CB 4.37Å; F1696-H1707 PolarHBondContact O-CE1 2.75Å; F1696-H1707 PolarHBondContact O-ND1 3.46Å
1708Y93.9Very high95Very high62 Ų6241.9 Ų41.924%0.24323%0.231CC..  trans-91.1154.6178.4-60.6-84.4000112.4E1698 H1700 N1706 T1710 N1711E1698-Y1708 HydrophobicContact CB-CD2 4.01Å; E1698-Y1708 HydrophobicContact CB-CE2 4.11Å; E1698-Y1708 VanDerWaalsContact CD-CD2 3.42Å; E1698-Y1708 HydrophobicContact CG-CD2 4.16Å; E1698-Y1708 HydrophobicContact CG-CE2 4.02Å; E1698-Y1708 WeakPolarHBondContact OE1-CD2 3.3Å; E1698-Y1708 WeakPolarHBondContact OE1-CE2 3.16Å; E1698-Y1708 WeakPolarHBondContact OE2-CD2 3.4Å; H1700-Y1708 AromaticContact CE1-CE2 3.78Å; H1700-Y1708 AromaticContact CE1-CZ 3.94Å; H1700-Y1708 PolarHBondContact CE1-OH 3.1Å; N1706-Y1708 HydrophobicContact CB-CD2 4.37Å; N1706-Y1708 HydrophobicContact CB-CE1 4.29Å; N1706-Y1708 HydrophobicContact CB-CE2 3.71Å; Y1708-T1710 WeakPolarHBondContact CB-OG1 3.28Å; Y1708-T1710 PolarHBondContact O-N 3.16Å; Y1708-T1710 VanDerWaalsContact O-N 3.15Å; Y1708-N1711 VanDerWaalsContact O-CB 3.27Å; Y1708-N1711 WeakPolarHBondContact O-CB 3.42Å; Y1708-N1711 PolarHBondContact O-N 2.91Å; Y1708-N1711 PolarHBondContact O-OD1 3.42Å
1709A92Very high94.9Very high98 Ų9844.9 Ų44.981%0.8125%0.246SC*.THydrogen-bonded Turntrans-65.8-13.8178.500000114N1711 H1712A1709-N1711 VanDerWaalsContact C-N 3.32Å; A1709-H1712 PolarHBondContact O-CE1 3.26Å; A1709-H1712 VanDerWaalsContact O-CE1 3.29Å
1710T92.6Very high94.5Very high80 Ų8047.7 Ų47.749%0.49126%0.262SS..THydrogen-bonded Turntrans-77.7-13.7170.939.70000113.6Y1708 H1712Y1708-T1710 WeakPolarHBondContact CB-OG1 3.28Å; Y1708-T1710 PolarHBondContact O-N 3.16Å; Y1708-T1710 VanDerWaalsContact O-N 3.15Å; T1710-H1712 PolarHBondContact O-N 3.47Å
1711N94.4Very high94.3Very high1 Ų154.6 Ų54.61%0.00529%0.291CS..  trans-77.4117.1-174.6-62.622.1000108.4T1670 A1671 I1694 F1696 Y1708 A1709T1670-N1711 WeakPolarHBondContact O-CA 2.92Å; A1671-N1711 HydrophobicContact CB-CB 4.5Å; A1671-N1711 WeakPolarHBondContact CB-OD1 3.45Å; I1694-N1711 HydrophobicContact CD1-CB 4.32Å; I1694-N1711 VanDerWaalsContact CD1-O 3.32Å; I1694-N1711 WeakPolarHBondContact CD1-O 3.1Å; I1694-N1711 WeakPolarHBondContact CG1-O 3.23Å; I1694-N1711 HydrophobicContact CG2-CB 3.88Å; F1696-N1711 HydrophobicContact CE2-CB 3.93Å; F1696-N1711 HydrophobicContact CZ-CB 3.74Å; Y1708-N1711 VanDerWaalsContact O-CB 3.27Å; Y1708-N1711 WeakPolarHBondContact O-CB 3.42Å; Y1708-N1711 PolarHBondContact O-N 2.91Å; Y1708-N1711 PolarHBondContact O-OD1 3.42Å; A1709-N1711 VanDerWaalsContact C-N 3.32Å
1712H95.6Very high94.2Very high98 Ų9860 Ų6045%0.45432%0.318SS..EExtended strand (participates in β ladder)trans-127.7136.7-177.1-62.4-17.4000109.8H1669 T1670 A1709 T1710 F1714H1669-H1712 CarbonylContact C-O 3.6Å; H1669-H1712 VanDerWaalsContact CA-O 3.25Å; H1669-H1712 WeakPolarHBondContact CA-O 3.11Å; T1670-H1712 PolarHBondContact N-O 3.28Å; T1670-H1712 PolarHBondContact O-N 3.04Å; A1709-H1712 PolarHBondContact O-CE1 3.26Å; A1709-H1712 VanDerWaalsContact O-CE1 3.29Å; T1710-H1712 PolarHBondContact O-N 3.47Å; H1712-F1714 HydrophobicContact CB-CE2 3.94Å; H1712-F1714 HydrophobicContact CB-CZ 4.19Å
1713A95.5Very high94.1Very high18 Ų1855.9 Ų55.915%0.14931%0.306CS..EExtended strand (participates in β ladder)trans-118.7135.1171.500000109.8F1666 P1695 F1696 W1715F1666-A1713 HydrophobicContact CD2-CB 4.49Å; F1666-A1713 HydrophobicContact CE2-CB 3.87Å; P1695-A1713 HydrophobicContact CG-CB 3.84Å; F1696-A1713 HydrophobicContact CE1-CB 4.46Å; A1713-W1715 HydrophobicContact CB-CZ2 4.49Å
1714F96.9Very high93.9Very high86 Ų8659.6 Ų59.638%0.37732%0.318SS..EExtended strand (participates in β ladder)trans-108.5136.3-175.7-59.4-98.6000108.7I1667 M1668 T1670 H1712I1667-F1714 HydrophobicContact CG2-CB 4.1Å; I1667-F1714 WeakPolarHBondContact CG2-O 3.19Å; I1667-F1714 PolarHBondContact N-O 3.22Å; M1668-F1714 HydrophobicContact CG-CB 3.57Å; M1668-F1714 HydrophobicContact CG-CD2 3.67Å; M1668-F1714 HydrophobicContact CG-CG 3.74Å; M1668-F1714 PolarHBondContact O-N 2.96Å; M1668-F1714 HydrophobicContact SD-CD2 4.45Å; M1668-F1714 HydrophobicContact SD-CG 4.45Å; T1670-F1714 HydrophobicContact CG2-CE2 4.07Å; H1712-F1714 HydrophobicContact CB-CE2 3.94Å; H1712-F1714 HydrophobicContact CB-CZ 4.19Å
1715W97.3Very high93.8Very high38 Ų3866.6 Ų66.614%0.14435%0.347CS..EExtended strand (participates in β ladder)trans-130.6146.1-173.5-54.880.4000108.5S1665 F1666 L1688 F1691 R1692 P1695 A1713 A1717 I1742S1665-W1715 CarbonylContact O-C 3.53Å; S1665-W1715 WeakPolarHBondContact O-CA 3.17Å; S1665-W1715 WeakPolarHBondContact O-CB 3.42Å; F1666-W1715 HydrophobicContact CB-CE3 3.93Å; F1666-W1715 HydrophobicContact CB-CH2 4.22Å; F1666-W1715 HydrophobicContact CB-CZ3 3.73Å; F1666-W1715 HydrophobicContact CD2-CD2 4.4Å; F1666-W1715 HydrophobicContact CD2-CH2 4.34Å; F1666-W1715 HydrophobicContact CD2-CZ2 4.19Å; F1666-W1715 HydrophobicContact CG-CZ3 4.47Å; L1688-W1715 HydrophobicContact CB-CH2 4.34Å; L1688-W1715 HydrophobicContact CB-CZ3 4.34Å; L1688-W1715 HydrophobicContact CD1-CH2 3.83Å; L1688-W1715 HydrophobicContact CD1-CZ3 4.39Å; F1691-W1715 AromaticContact CD2-CD2 3.88Å; F1691-W1715 HydrophobicContact CD2-CD2 3.88Å; F1691-W1715 AromaticContact CD2-CE2 3.66Å; F1691-W1715 HydrophobicContact CD2-CE3 4.09Å; F1691-W1715 AromaticContact CD2-CH2 3.95Å; F1691-W1715 HydrophobicContact CD2-CH2 3.95Å; F1691-W1715 AromaticContact CD2-CZ2 3.72Å; F1691-W1715 HydrophobicContact CD2-CZ2 3.72Å; F1691-W1715 HydrophobicContact CD2-CZ3 4.13Å; F1691-W1715 HydrophobicContact CE2-CD2 4.07Å; F1691-W1715 AromaticContact CE2-CE2 3.66Å; F1691-W1715 HydrophobicContact CE2-CG 4.36Å; F1691-W1715 HydrophobicContact CE2-CZ2 4.03Å; F1691-W1715 AromaticContact CE2-NE1 3.67Å; R1692-W1715 WeakPolarHBondContact O-CZ2 3.02Å; P1695-W1715 HydrophobicContact CB-CZ2 4.36Å; P1695-W1715 HydrophobicContact CG-CZ2 4.01Å; A1713-W1715 HydrophobicContact CB-CZ2 4.49Å; W1715-A1717 PolarHBondContact O-N 3.15Å; W1715-I1742 HydrophobicContact CB-CD1 4.42Å; W1715-I1742 HydrophobicContact CB-CG1 4.33Å; W1715-I1742 HydrophobicContact CB-CG2 3.95Å; W1715-I1742 HydrophobicContact CE3-CG2 4.27Å; W1715-I1742 HydrophobicContact CG-CD1 4.31Å; W1715-I1742 HydrophobicContact CG-CG2 4.44Å
1716L96.9Very high93.5Very high33 Ų3372.7 Ų72.717%0.17337%0.374CS..PPolyproline II helixtrans-64132.1170.7-69178.3000109.1H1644 S1665 I1667 L1681 S1743H1644-L1716 HydrophobicContact CB-CD1 4.13Å; S1665-L1716 PolarHBondContact O-N 2.88Å; I1667-L1716 HydrophobicContact CD1-CD2 3.95Å; L1681-L1716 HydrophobicContact CD1-CD1 4.23Å; L1681-L1716 HydrophobicContact CD2-CD1 3.93Å; L1681-L1716 HydrophobicContact CD2-CG 4.4Å; L1716-S1743 VanDerWaalsContact O-CB 3.25Å; L1716-S1743 WeakPolarHBondContact O-CB 2.82Å; L1716-S1743 PolarHBondContact O-N 2.95Å
1717A95.3Very high93.3Very high54 Ų5478.2 Ų78.245%0.44640%0.397SS..BIsolated β-bridgetrans-79.4157.9179.900000112W1715 I1719 R1741W1715-A1717 PolarHBondContact O-N 3.15Å; A1717-I1719 PolarHBondContact O-N 3.34Å; A1717-R1741 CarbonylContact C-O 3.45Å; A1717-R1741 WeakPolarHBondContact CA-O 2.36Å
1718V95Very high93Very high28 Ų2879.2 Ų79.217%0.1741%0.408CS..PPolyproline II helixtrans-70.2122.4162.8169.80000109.2Q1646 R1741Q1646-V1718 CarbonylContact O-C 3.5Å; Q1646-V1718 WeakPolarHBondContact O-CA 3.38Å; V1718-R1741 PolarHBondContact N-O 3.06Å
1719I93.4Very high92.7Very high69 Ų6983.9 Ų83.935%0.35443%0.43SS..  trans-118.9116.6176.9-53-174.7000108.6Q1646 A1717 K1721 M1724Q1646-I1719 PolarHBondContact O-N 3.25Å; A1717-I1719 PolarHBondContact O-N 3.34Å; I1719-K1721 PolarHBondContact O-N 2.97Å; I1719-M1724 HydrophobicContact CG2-CB 4.38Å; I1719-M1724 HydrophobicContact CG2-CG 3.82Å
1720D89.8Confident92.6Very high60 Ų6083.1 Ų83.132%0.32142%0.418SS..  trans-63.5126.9168.4172.19.4000109.4N1722 Q1723 M1724D1720-N1722 PolarHBondContact O-N 3.27Å; D1720-N1722 VanDerWaalsContact O-N 3.14Å; D1720-N1722 WeakPolarHBondContact OD1-CB 3.35Å; D1720-N1722 PolarHBondContact OD1-N 3.4Å; D1720-N1722 PolarHBondContact OD1-ND2 2.82Å; D1720-Q1723 HydrophobicContact CB-CB 4.2Å; D1720-Q1723 HydrophobicContact CB-CG 4.11Å; D1720-Q1723 CarbonylContact O-C 3.55Å; D1720-Q1723 WeakPolarHBondContact O-CA 3.46Å; D1720-Q1723 PolarHBondContact O-N 2.89Å; D1720-Q1723 WeakPolarHBondContact OD2-CG 3.2Å; D1720-Q1723 PolarHBondContact OD2-NE2 3.27Å; D1720-M1724 PolarHBondContact O-N 3.19Å
1721K89.5Confident92.3Very high161 Ų16183.8 Ų83.870%0.742%0.416SS*.G310 helixtrans-53.5-34.4177.5-69.7-174.9178.4-178.90111.8I1719 Q1723 M1724I1719-K1721 PolarHBondContact O-N 2.97Å; K1721-Q1723 PolarHBondContact O-N 2.59Å; K1721-Q1723 VanDerWaalsContact O-N 3.15Å; K1721-M1724 WeakPolarHBondContact O-CE 3.23Å
1722N90.3Very high92.1Very high120 Ų12090.4 Ų90.464%0.64246%0.457SS*.G310 helixtrans-73.3-0.8177.9-52.7-70.1000113.6D1720 K1726D1720-N1722 PolarHBondContact O-N 3.27Å; D1720-N1722 VanDerWaalsContact O-N 3.14Å; D1720-N1722 WeakPolarHBondContact OD1-CB 3.35Å; D1720-N1722 PolarHBondContact OD1-N 3.4Å; D1720-N1722 PolarHBondContact OD1-ND2 2.82Å; N1722-K1726 VanDerWaalsContact O-CE 3.31Å; N1722-K1726 WeakPolarHBondContact O-CE 3.29Å; N1722-K1726 PolarHBondContact O-NZ 3.06Å
1723Q89.5Confident91.8Very high71 Ų7189 Ų8933%0.33245%0.452SS..G310 helixtrans-131.5-0.7-174.6-58.7-174.658.600114.4D1720 K1721 F1725 K1726D1720-Q1723 HydrophobicContact CB-CB 4.2Å; D1720-Q1723 HydrophobicContact CB-CG 4.11Å; D1720-Q1723 CarbonylContact O-C 3.55Å; D1720-Q1723 WeakPolarHBondContact O-CA 3.46Å; D1720-Q1723 PolarHBondContact O-N 2.89Å; D1720-Q1723 WeakPolarHBondContact OD2-CG 3.2Å; D1720-Q1723 PolarHBondContact OD2-NE2 3.27Å; K1721-Q1723 PolarHBondContact O-N 2.59Å; K1721-Q1723 VanDerWaalsContact O-N 3.15Å; Q1723-F1725 VanDerWaalsContact C-N 3.26Å; Q1723-F1725 PolarHBondContact O-N 3.39Å; Q1723-F1725 VanDerWaalsContact O-N 3.09Å; Q1723-K1726 HydrophobicContact CB-CD 4.47Å; Q1723-K1726 HydrophobicContact CG-CD 4.3Å; Q1723-K1726 WeakPolarHBondContact O-CB 3Å; Q1723-K1726 PolarHBondContact O-N 3Å
1724M90.2Very high91.5Very high101 Ų10196.5 Ų96.550%0.49848%0.482SS..THydrogen-bonded Turntrans-49.6-41.3-175-62.9-176.3-62.200114.4I1719 D1720 K1721I1719-M1724 HydrophobicContact CG2-CB 4.38Å; I1719-M1724 HydrophobicContact CG2-CG 3.82Å; D1720-M1724 PolarHBondContact O-N 3.19Å; K1721-M1724 WeakPolarHBondContact O-CE 3.23Å
1725F94Very high90.8Very high165 Ų16596.9 Ų96.972%0.72450%0.5SS*.THydrogen-bonded Turntrans-102.15.7-179.1-55.4-69.2000113.9Q1723Q1723-F1725 VanDerWaalsContact C-N 3.26Å; Q1723-F1725 PolarHBondContact O-N 3.39Å; Q1723-F1725 VanDerWaalsContact O-N 3.09Å
1726K92.4Very high90.2Very high128 Ų12898.7 Ų98.756%0.55753%0.531SS*.SBendtrans-84.9165.6173.2-65.3178.4-177155.10109.6N1722 Q1723 P1728N1722-K1726 VanDerWaalsContact O-CE 3.31Å; N1722-K1726 WeakPolarHBondContact O-CE 3.29Å; N1722-K1726 PolarHBondContact O-NZ 3.06Å; Q1723-K1726 HydrophobicContact CB-CD 4.47Å; Q1723-K1726 HydrophobicContact CG-CD 4.3Å; Q1723-K1726 WeakPolarHBondContact O-CB 3Å; Q1723-K1726 PolarHBondContact O-N 3Å; K1726-P1728 VanDerWaalsContact O-CD 3.3Å; K1726-P1728 WeakPolarHBondContact O-CD 2.96Å
1727K90.1Very high89.5Confident125 Ų12598.2 Ų98.254%0.54353%0.534SS..PPolyproline II helixtrans-61.4124168.8174.5-178.4177.3-1670108.3G1329 F1729G1329-K1727 WeakPolarHBondContact O-CA 3.24Å; G1329-K1727 WeakPolarHBondContact O-CG 3.38Å; K1727-F1729 PolarHBondContact O-N 2.79Å
1728P89.2Confident89.2Confident68 Ų6898 Ų9844%0.44253%0.525SS..PPolyproline II helixtrans-58.6135.6173.9-25.235.2000111.8G1329 K1726 S1730G1329-P1728 WeakPolarHBondContact O-CD 3.31Å; K1726-P1728 VanDerWaalsContact O-CD 3.3Å; K1726-P1728 WeakPolarHBondContact O-CD 2.96Å; P1728-S1730 PolarHBondContact O-N 3.18Å
1729F86.6Confident89Confident160 Ų160100.8 Ų100.870%0.70254%0.535SS*.PPolyproline II helixtrans-66.3128.2168.1-76.7-86.8000109.3K1727 E1731K1727-F1729 PolarHBondContact O-N 2.79Å; F1729-E1731 PolarHBondContact O-N 3.07Å
1730S89.8Confident88.8Confident81 Ų81104.5 Ų104.557%0.56655%0.551SS**  trans-85.7100.5-179.9-56.40000109.4P1728P1728-S1730 PolarHBondContact O-N 3.18Å
1731E86.6Confident88.9Confident94 Ų94106.6 Ų106.644%0.43955%0.554SS.*  trans-104.7149-178.7-69.9174.3-163.300111.5F1729 R1741F1729-E1731 PolarHBondContact O-N 3.07Å; E1731-R1741 IonicContact OE1-CZ 3.77Å; E1731-R1741 IonicContact OE1-NE 2.75Å; E1731-R1741 IonicContact OE1-NH2 2.67Å; E1731-R1741 PolarHBondContact OE1-NH2 3.43Å; E1731-R1741 IonicContact OE2-CZ 2.7Å; E1731-R1741 IonicContact OE2-NE 3.88Å; E1731-R1741 PolarHBondContact OE2-NE 3.2Å; E1731-R1741 IonicContact OE2-NH2 3.05Å; E1731-R1741 PolarHBondContact OE2-NH2 3.19Å
1732T90.1Very high89.2Confident140 Ų14099.6 Ų99.686%0.85952%0.524SS*.  trans-125.2106173.7-620000108.4
1733L88.6Confident89.5Confident69 Ų6993.9 Ų93.936%0.36149%0.494SS..  trans-94.7145.3-171.3-57169.3000110.8L1738 R1741L1733-L1738 HydrophobicContact CB-CD2 3.87Å; L1733-R1741 HydrophobicContact CD1-CB 3.51Å; L1733-R1741 HydrophobicContact CD1-CG 3.69Å; L1733-R1741 HydrophobicContact CD2-CG 4.28Å
1734K89.9Confident89.9Confident176 Ų17692.5 Ų92.577%0.76549%0.485SS*.  trans-111.4173.3171.5-65-176.2-179.9-179.90110.1G1737 L1738K1734-G1737 PolarHBondContact O-N 2.73Å; K1734-G1737 VanDerWaalsContact O-N 3.09Å; K1734-L1738 PolarHBondContact O-N 3.04Å
1735A82.9Confident90.3Very high93 Ų9387.7 Ų87.777%0.76946%0.462SS*.THydrogen-bonded Turntrans-48.2146.5173.100000111.8G1737A1735-G1737 VanDerWaalsContact C-N 3.28Å; A1735-G1737 PolarHBondContact O-N 2.8Å
1736G82.9Confident90.5Very high77 Ų7781.3 Ų81.379%0.79443%0.434SS*.THydrogen-bonded Turntrans86.5-51.7-166.700000113.2
1737G83.7Confident90.8Very high22 Ų2275.2 Ų75.223%0.22741%0.408CS..THydrogen-bonded Turntrans-79.3-27.5-177.100000115.5K1734 A1735 K1739 Q1740K1734-G1737 PolarHBondContact O-N 2.73Å; K1734-G1737 VanDerWaalsContact O-N 3.09Å; A1735-G1737 VanDerWaalsContact C-N 3.28Å; A1735-G1737 PolarHBondContact O-N 2.8Å; G1737-K1739 PolarHBondContact O-N 2.81Å; G1737-Q1740 WeakPolarHBondContact O-CB 2.74Å; G1737-Q1740 PolarHBondContact O-N 3.33Å; G1737-Q1740 VanDerWaalsContact O-N 3.12Å
1738L89.1Confident91.1Very high49 Ų4969.3 Ų69.326%0.25738%0.382SS..G310 helixtrans-48.1-49.9-169.9-67.7165.9000114.7F1691 A1693 L1733 K1734 Q1740 R1741F1691-L1738 HydrophobicContact CE1-CB 3.67Å; F1691-L1738 HydrophobicContact CE1-CD1 3.92Å; F1691-L1738 HydrophobicContact CE1-CG 4.39Å; F1691-L1738 HydrophobicContact CZ-CB 3.94Å; F1691-L1738 HydrophobicContact CZ-CD1 4.06Å; F1691-L1738 HydrophobicContact CZ-CG 4.45Å; A1693-L1738 HydrophobicContact CB-CD1 4.43Å; L1733-L1738 HydrophobicContact CB-CD2 3.87Å; K1734-L1738 PolarHBondContact O-N 3.04Å; L1738-Q1740 PolarHBondContact O-N 3.31Å; L1738-R1741 PolarHBondContact O-N 3.01Å
1739K90.3Very high91.3Very high88 Ų8867.2 Ų67.238%0.38337%0.366SS..G310 helixtrans-64-23-173.6-68.8-171175-157.50113.6Y1664 D1690 F1691 G1737 R1741Y1664-K1739 HydrophobicContact CE1-CB 4.31Å; Y1664-K1739 HydrophobicContact CE1-CD 4.15Å; Y1664-K1739 HydrophobicContact CE1-CG 4.16Å; D1690-K1739 IonicContact OD1-NZ 2.64Å; F1691-K1739 HydrophobicContact CB-CG 4.44Å; F1691-K1739 HydrophobicContact CD1-CD 4.35Å; F1691-K1739 HydrophobicContact CD1-CG 3.63Å; F1691-K1739 HydrophobicContact CE1-CG 4.33Å; F1691-K1739 HydrophobicContact CG-CG 4.28Å; G1737-K1739 PolarHBondContact O-N 2.81Å; K1739-R1741 VanDerWaalsContact C-N 3.28Å; K1739-R1741 PolarHBondContact O-N 3.09Å
1740Q89.2Confident91.6Very high146 Ų14664.1 Ų64.168%0.68235%0.353SS*.G310 helixtrans-73.9-17.6-177.8-61.7177.6-10.600113.6G1737 L1738G1737-Q1740 WeakPolarHBondContact O-CB 2.74Å; G1737-Q1740 PolarHBondContact O-N 3.33Å; G1737-Q1740 VanDerWaalsContact O-N 3.12Å; L1738-Q1740 PolarHBondContact O-N 3.31Å
1741R91.9Very high91.6Very high104 Ų10466.6 Ų66.639%0.39235%0.35SS..G310 helixtrans-112.311-179.5-72.4-63.3-157.6-162.40.9113.6A1717 V1718 E1731 L1733 L1738 K1739A1717-R1741 CarbonylContact C-O 3.45Å; A1717-R1741 WeakPolarHBondContact CA-O 2.36Å; V1718-R1741 PolarHBondContact N-O 3.06Å; E1731-R1741 IonicContact OE1-CZ 3.77Å; E1731-R1741 IonicContact OE1-NE 2.75Å; E1731-R1741 IonicContact OE1-NH2 2.67Å; E1731-R1741 PolarHBondContact OE1-NH2 3.43Å; E1731-R1741 IonicContact OE2-CZ 2.7Å; E1731-R1741 IonicContact OE2-NE 3.88Å; E1731-R1741 PolarHBondContact OE2-NE 3.2Å; E1731-R1741 IonicContact OE2-NH2 3.05Å; E1731-R1741 PolarHBondContact OE2-NH2 3.19Å; L1733-R1741 HydrophobicContact CD1-CB 3.51Å; L1733-R1741 HydrophobicContact CD1-CG 3.69Å; L1733-R1741 HydrophobicContact CD2-CG 4.28Å; L1738-R1741 PolarHBondContact O-N 3.01Å; K1739-R1741 VanDerWaalsContact C-N 3.28Å; K1739-R1741 PolarHBondContact O-N 3.09Å
1742I94.9Very high91.2Very high15 Ų1564.8 Ų64.88%0.07735%0.346CS..BIsolated β-bridgetrans-109.8128.2179.4-65.2173.3000110.1Y1664 F1691 W1715 R1744Y1664-I1742 HydrophobicContact CD1-CG2 4.09Å; F1691-I1742 HydrophobicContact CD1-CD1 4.43Å; F1691-I1742 HydrophobicContact CD2-CD1 3.43Å; F1691-I1742 VanDerWaalsContact CD2-CD1 3.43Å; F1691-I1742 HydrophobicContact CE1-CD1 4.18Å; F1691-I1742 HydrophobicContact CE2-CD1 3.13Å; F1691-I1742 HydrophobicContact CG-CD1 4.09Å; F1691-I1742 HydrophobicContact CZ-CD1 3.54Å; W1715-I1742 HydrophobicContact CB-CD1 4.42Å; W1715-I1742 HydrophobicContact CB-CG1 4.33Å; W1715-I1742 HydrophobicContact CB-CG2 3.95Å; W1715-I1742 HydrophobicContact CE3-CG2 4.27Å; W1715-I1742 HydrophobicContact CG-CD1 4.31Å; W1715-I1742 HydrophobicContact CG-CG2 4.44Å; I1742-R1744 PolarHBondContact O-N 3.19Å
1743S97.5Very high90.3Very high0 Ų062.8 Ų62.80%034%0.335CS..  trans-56.8132.1176.6175.30000111Q1646 T1647 S1665 L1716Q1646-S1743 VanDerWaalsContact CA-OG 3.26Å; Q1646-S1743 WeakPolarHBondContact CA-OG 3.34Å; Q1646-S1743 PolarHBondContact N-OG 3.4Å; T1647-S1743 WeakPolarHBondContact O-CA 3.46Å; S1665-S1743 WeakPolarHBondContact CB-O 3.47Å; S1665-S1743 PolarHBondContact N-O 3.42Å; S1665-S1743 VanDerWaalsContact OG-CB 3.31Å; S1665-S1743 WeakPolarHBondContact OG-CB 3.27Å; S1665-S1743 PolarHBondContact OG-O 2.86Å; S1665-S1743 PolarHBondContact OG-OG 3.32Å; L1716-S1743 VanDerWaalsContact O-CB 3.25Å; L1716-S1743 WeakPolarHBondContact O-CB 2.82Å; L1716-S1743 PolarHBondContact O-N 2.95Å
1744R98.1Very high89.1Confident42 Ų4266.8 Ų66.816%0.15836%0.357CS..EExtended strand (participates in β ladder)trans-77.6164.2167.3-53.3-56.6-56.4-70.9-7.4111.2S1645 T1647 S1648 D1649 I1650 G1663 S1665 I1742S1645-R1744 PolarHBondContact N-O 2.72Å; S1645-R1744 VanDerWaalsContact N-O 3.13Å; S1645-R1744 PolarHBondContact OG-O 2.62Å; T1647-R1744 PolarHBondContact O-N 3.3Å; S1648-R1744 VanDerWaalsContact C-CG 3.4Å; S1648-R1744 WeakPolarHBondContact O-CG 3.41Å; D1649-R1744 WeakPolarHBondContact O-CB 3.49Å; I1650-R1744 HydrophobicContact CG1-CB 4.4Å; G1663-R1744 PolarHBondContact O-NE 3.47Å; G1663-R1744 PolarHBondContact O-NH2 3.13Å; S1665-R1744 PolarHBondContact OG-O 3.28Å; S1665-R1744 VanDerWaalsContact OG-O 3.05Å; I1742-R1744 PolarHBondContact O-N 3.19Å
1745C98.4Very high87.1Confident0 Ų066.2 Ų66.20%036%0.357CS..EExtended strand (participates in β ladder)trans-143.4161.8173.659.20000110.6V1643 H1644 S1662 G1663 Y1664 C1687V1643-C1745 CarbonylContact O-C 3.56Å; V1643-C1745 WeakPolarHBondContact O-CA 2.78Å; V1643-C1745 VanDerWaalsContact O-CB 3.22Å; V1643-C1745 WeakPolarHBondContact O-CB 3.19Å; H1644-C1745 WeakPolarHBondContact ND1-CB 3.35Å; S1662-C1745 WeakPolarHBondContact CA-O 3.47Å; G1663-C1745 PolarHBondContact N-O 3.4Å; G1663-C1745 PolarHBondContact O-N 2.79Å; Y1664-C1745 VanDerWaalsContact C-SG 3.52Å; Y1664-C1745 PolarHBondContact N-SG 2.99Å; C1687-C1745 WeakPolarHBondContact CA-SG 3.5Å; C1687-C1745 HydrophobicContact CB-CB 3.84Å; C1687-C1745 WeakPolarHBondContact CB-SG 3.21Å; C1687-C1745 VanDerWaalsContact SG-C 3.51Å; C1687-C1745 WeakPolarHBondContact SG-CB 3.41Å; C1687-C1745 CovalentContact SG-SG 2.03Å; C1687-C1745 PolarHBondContact SG-SG 2.76Å
1746Q98.2Very high84.7Confident31 Ų3170.8 Ų70.815%0.14538%0.383CS..EExtended strand (participates in β ladder)trans-134128176.9-176.987.492.400106.6V1643 I1650 P1651 C1653 A1659 W1661V1643-Q1746 PolarHBondContact N-O 2.7Å; V1643-Q1746 PolarHBondContact O-N 3.4Å; I1650-Q1746 HydrophobicContact CG2-CB 4.04Å; I1650-Q1746 HydrophobicContact CG2-CG 4.43Å; I1650-Q1746 VanDerWaalsContact CG2-OE1 3.31Å; P1651-Q1746 HydrophobicContact CG-CB 3.9Å; P1651-Q1746 WeakPolarHBondContact O-CB 3.5Å; P1651-Q1746 WeakPolarHBondContact O-CG 3.39Å; C1653-Q1746 VanDerWaalsContact SG-CG 3.51Å; A1659-Q1746 HydrophobicContact CB-CG 4.29Å; W1661-Q1746 VanDerWaalsContact C-NE2 3.35Å; W1661-Q1746 PolarHBondContact O-NE2 3.48Å
1747V97.8Very high84.7Confident0 Ų070.5 Ų70.50%036%0.362CS..EExtended strand (participates in β ladder)trans-91.4133.7169.3176.60000108.5I1640 I1641 A1642 V1660 W1661 P1684 C1687I1640-V1747 HydrophobicContact CD1-CG1 3.57Å; I1640-V1747 HydrophobicContact CG1-CG1 3.56Å; I1641-V1747 CarbonylContact O-C 3.3Å; I1641-V1747 WeakPolarHBondContact O-CA 3.38Å; A1642-V1747 HydrophobicContact CB-CG2 4.27Å; V1660-V1747 HydrophobicContact CB-CG1 4.33Å; V1660-V1747 WeakPolarHBondContact CB-O 3.4Å; V1660-V1747 HydrophobicContact CG2-CG1 4.44Å; V1660-V1747 PolarHBondContact N-O 2.67Å; W1661-V1747 HydrophobicContact CD2-CB 3.8Å; W1661-V1747 HydrophobicContact CD2-CG1 4.25Å; W1661-V1747 HydrophobicContact CD2-CG2 4.04Å; W1661-V1747 VanDerWaalsContact CE2-CG2 3.42Å; W1661-V1747 HydrophobicContact CE3-CB 4.18Å; W1661-V1747 HydrophobicContact CE3-CG1 4.15Å; W1661-V1747 HydrophobicContact CG-CB 4.23Å; W1661-V1747 HydrophobicContact CG-CG2 4.43Å; W1661-V1747 HydrophobicContact CH2-CB 4.4Å; W1661-V1747 HydrophobicContact CH2-CG1 3.91Å; W1661-V1747 HydrophobicContact CH2-CG2 4.41Å; W1661-V1747 HydrophobicContact CZ2-CB 4.06Å; W1661-V1747 HydrophobicContact CZ2-CG1 4.02Å; W1661-V1747 HydrophobicContact CZ2-CG2 3.67Å; W1661-V1747 HydrophobicContact CZ3-CB 4.44Å; W1661-V1747 HydrophobicContact CZ3-CG1 3.97Å; W1661-V1747 PolarHBondContact O-N 3.18Å; P1684-V1747 HydrophobicContact CB-CG1 4.06Å; P1684-V1747 HydrophobicContact CB-CG2 4.23Å; P1684-V1747 HydrophobicContact CG-CG1 4.14Å; C1687-V1747 HydrophobicContact CB-CG2 3.54Å
1748C96.6Very high84.8Confident0 Ų073 Ų730%037%0.369CS..EExtended strand (participates in β ladder)trans-130.1130.7-167.9-58.60000109.9I1640 I1641 C1653 W1657 D1658I1640-C1748 CarbonylContact C-O 3.59Å; I1640-C1748 VanDerWaalsContact CA-O 3.32Å; I1640-C1748 WeakPolarHBondContact CA-O 3.17Å; I1640-C1748 WeakPolarHBondContact CG1-O 3.09Å; I1641-C1748 HydrophobicContact CG1-CB 4.21Å; I1641-C1748 PolarHBondContact N-O 3.33Å; I1641-C1748 PolarHBondContact O-N 3.02Å; C1653-C1748 WeakPolarHBondContact CA-SG 3.32Å; C1653-C1748 HydrophobicContact CB-CB 3.82Å; C1653-C1748 WeakPolarHBondContact CB-SG 3.4Å; C1653-C1748 WeakPolarHBondContact SG-CB 3.41Å; C1653-C1748 CovalentContact SG-SG 2.04Å; C1653-C1748 PolarHBondContact SG-SG 2.86Å; W1657-C1748 HydrophobicContact CB-CB 4.11Å; W1657-C1748 HydrophobicContact CE3-CB 4.16Å; D1658-C1748 CarbonylContact O-C 3.45Å; D1658-C1748 VanDerWaalsContact O-CA 3.29Å; D1658-C1748 WeakPolarHBondContact O-CA 3.47Å
1749M94.4Very high84.6Confident24 Ų2474.3 Ų74.312%0.11838%0.375CS..EExtended strand (participates in β ladder)trans-105.2131.4174.4177.4173.764.300109.1T1547 L1636 T1638 I1640 W1657 D1658 V1660 R1751T1547-M1749 HydrophobicContact CG2-SD 4.01Å; L1636-M1749 HydrophobicContact CB-SD 4.18Å; L1636-M1749 HydrophobicContact CD1-CG 4.22Å; L1636-M1749 HydrophobicContact CD1-SD 4.03Å; T1638-M1749 WeakPolarHBondContact OG1-CG 3.2Å; I1640-M1749 HydrophobicContact CG1-CB 4.48Å; W1657-M1749 CarbonylContact C-O 3.5Å; W1657-M1749 WeakPolarHBondContact CA-O 3.47Å; W1657-M1749 VanDerWaalsContact CE3-C 3.49Å; D1658-M1749 PolarHBondContact N-O 3.21Å; D1658-M1749 PolarHBondContact O-N 3.04Å; V1660-M1749 HydrophobicContact CG2-CB 3.59Å; M1749-R1751 PolarHBondContact O-N 2.66Å
1750K93.2Very high84.2Confident96 Ų9673.5 Ų73.542%0.41738%0.375SS..EExtended strand (participates in β ladder)trans-66.1132.5-179.5-167.2173.8-176.2174.30108.8T1638 Q1639 W1657T1638-K1750 VanDerWaalsContact CB-O 3.24Å; T1638-K1750 WeakPolarHBondContact CB-O 3.28Å; T1638-K1750 WeakPolarHBondContact CG2-O 3.33Å; T1638-K1750 PolarHBondContact OG1-O 2.69Å; Q1639-K1750 PolarHBondContact O-N 2.94Å; W1657-K1750 HydrophobicContact CD2-CB 3.73Å; W1657-K1750 HydrophobicContact CD2-CG 4.09Å; W1657-K1750 VanDerWaalsContact CE3-CA 3.49Å; W1657-K1750 HydrophobicContact CE3-CB 3.68Å; W1657-K1750 HydrophobicContact CG-CB 4.43Å; W1657-K1750 HydrophobicContact CH2-CB 3.87Å; W1657-K1750 HydrophobicContact CH2-CD 4.32Å; W1657-K1750 HydrophobicContact CH2-CG 4.43Å; W1657-K1750 HydrophobicContact CZ2-CB 3.94Å; W1657-K1750 HydrophobicContact CZ2-CD 3.86Å; W1657-K1750 HydrophobicContact CZ2-CG 4.01Å; W1657-K1750 HydrophobicContact CZ3-CB 3.74Å
1751R88.7Confident83.9Confident132 Ų13269 Ų6950%0.49836%0.356SS..PPolyproline II helixtrans-59.9132.4172.7-73.7176.9-177153.19.3108.5G1656 D1658 M1749G1656-R1751 VanDerWaalsContact O-CB 3.28Å; G1656-R1751 WeakPolarHBondContact O-CB 3.45Å; G1656-R1751 WeakPolarHBondContact O-CG 3.46Å; G1656-R1751 PolarHBondContact O-N 3.09Å; D1658-R1751 IonicContact OD1-CZ 2.74Å; D1658-R1751 VanDerWaalsContact OD1-CZ 3.27Å; D1658-R1751 IonicContact OD1-NE 3.71Å; D1658-R1751 PolarHBondContact OD1-NE 3.13Å; D1658-R1751 IonicContact OD1-NH2 2.62Å; D1658-R1751 PolarHBondContact OD1-NH2 2.98Å; D1658-R1751 WeakPolarHBondContact OD2-CG 3.29Å; D1658-R1751 IonicContact OD2-CZ 2.97Å; D1658-R1751 IonicContact OD2-NE 3.84Å; D1658-R1751 PolarHBondContact OD2-NE 3.49Å; D1658-R1751 IonicContact OD2-NH2 3.14Å; M1749-R1751 PolarHBondContact O-N 2.66Å
1752P79.2Confident83.4Confident56 Ų5666.7 Ų66.736%0.36435%0.353SS..PPolyproline II helixtrans-58.7143166.526.6-33000108T1638 L1754T1638-P1752 HydrophobicContact CG2-CB 3.97Å; P1752-L1754 PolarHBondContact O-N 3.11Å
1753P70.6Confident82.6Confident98 Ų9870.4 Ų70.464%0.63637%0.373SS*.PPolyproline II helixtrans-55.4131.7166.526.4-33000107.6E1755P1753-E1755 PolarHBondContact O-N 3.21Å; P1753-E1755 VanDerWaalsContact O-N 3.15Å
1754L62.6Low81.4Confident154 Ų15475.8 Ų75.881%0.80640%0.402SS*.  trans-65.5114.4169.4-71.7165.4000106.7P1752 S1756P1752-L1754 PolarHBondContact O-N 3.11Å; L1754-S1756 PolarHBondContact O-N 2.6Å
1755E47.9Very low80Confident164 Ų16478.6 Ų78.677%0.76642%0.422SS*.  trans-61.4118.5167.7-68179.1157.600107.6P1753P1753-E1755 PolarHBondContact O-N 3.21Å; P1753-E1755 VanDerWaalsContact O-N 3.15Å
1756S32.5Very low78.3Confident188 Ų18885.7 Ų85.7100%1.31546%0.461SS*.  trans-104.80-170.161.50000112L1754L1754-S1756 PolarHBondContact O-N 2.6Å

Retrieved 1,756 of 1,756 residues in 818.1 ms (Link to these results)