A0A087YRE4_POEFO Loading...

Platelet glycoprotein IX-like

AlphaFold DB , UniProt , Accession A0A087YRE4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 260 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.5Low62.1Low210 Ų210118.3 Ų118.3100%1.03463%0.626SS**  0-67.70-66.1178.279.500111.8L3 H4M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 2.96Å; M1-H4 PolarHBondContact O-N 3.01Å
2L57.1Low61.8Low151 Ų151118.4 Ų118.479%0.79163%0.626SS**Hα-helixtrans-44.3-41-174.1-73.4166000116.3H4 S5 V6L2-H4 VanDerWaalsContact C-N 3.34Å; L2-H4 PolarHBondContact O-N 3.2Å; L2-S5 WeakPolarHBondContact CA-OG 3.39Å; L2-S5 PolarHBondContact O-N 3.05Å; L2-S5 PolarHBondContact O-OG 3.38Å; L2-V6 PolarHBondContact O-N 3.4Å
3L56Low61.5Low141 Ų141118.8 Ų118.874%0.73863%0.627SS**Hα-helixtrans-62-38.8-179.6-159.770.1000112.9M1 V6 T7M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 2.96Å; L3-V6 PolarHBondContact O-N 3.31Å; L3-T7 PolarHBondContact O-N 2.95Å; L3-T7 PolarHBondContact O-OG1 3.36Å
4H59.1Low61.1Low147 Ų147118.9 Ų118.968%0.68163%0.628SS**Hα-helixtrans-68.7-38178.7-74.6-76000112.6M1 L2 V6 T7 L8M1-H4 PolarHBondContact O-N 3.01Å; L2-H4 VanDerWaalsContact C-N 3.34Å; L2-H4 PolarHBondContact O-N 3.2Å; H4-V6 VanDerWaalsContact C-N 3.33Å; H4-V6 PolarHBondContact O-N 2.73Å; H4-T7 WeakPolarHBondContact CA-OG1 3.33Å; H4-T7 PolarHBondContact O-N 3.37Å; H4-T7 PolarHBondContact O-OG1 3.31Å; H4-L8 WeakPolarHBondContact O-CB 3.39Å; H4-L8 PolarHBondContact O-N 3.01Å
5S60.4Low60.6Low69 Ų69115.3 Ų115.348%0.48362%0.622SS.*Hα-helixtrans-64.3-36.817534.10000112.2L2 A9L2-S5 WeakPolarHBondContact CA-OG 3.39Å; L2-S5 PolarHBondContact O-N 3.05Å; L2-S5 PolarHBondContact O-OG 3.38Å; S5-A9 WeakPolarHBondContact O-CB 3.38Å; S5-A9 PolarHBondContact O-N 3.49Å
6V67.2Low60.2Low89 Ų89114 Ų11454%0.53962%0.624SS.*Hα-helixtrans-67.9-45.7174.5176.20000110.9L2 L3 H4 L8 A9 V10L2-V6 PolarHBondContact O-N 3.4Å; L3-V6 PolarHBondContact O-N 3.31Å; H4-V6 VanDerWaalsContact C-N 3.33Å; H4-V6 PolarHBondContact O-N 2.73Å; V6-L8 VanDerWaalsContact C-N 3.3Å; V6-L8 PolarHBondContact O-N 3.34Å; V6-A9 PolarHBondContact O-N 2.93Å; V6-V10 HydrophobicContact CG1-CG2 4.48Å; V6-V10 WeakPolarHBondContact O-CG2 3.34Å; V6-V10 PolarHBondContact O-N 2.86Å
7T66Low59.7Low76 Ų76112.7 Ų112.747%0.46663%0.625SS.*Hα-helixtrans-62.2-36.8176.750.20000112.7L3 H4 Y11L3-T7 PolarHBondContact O-N 2.95Å; L3-T7 PolarHBondContact O-OG1 3.36Å; H4-T7 WeakPolarHBondContact CA-OG1 3.33Å; H4-T7 PolarHBondContact O-N 3.37Å; H4-T7 PolarHBondContact O-OG1 3.31Å; T7-Y11 PolarHBondContact O-N 3.48Å
8L65.5Low59.2Low117 Ų117111.6 Ų111.661%0.61363%0.627SS**Hα-helixtrans-69.5-42.2177.9-159.778.1000111.5H4 V6 Y11 L12H4-L8 WeakPolarHBondContact O-CB 3.39Å; H4-L8 PolarHBondContact O-N 3.01Å; V6-L8 VanDerWaalsContact C-N 3.3Å; V6-L8 PolarHBondContact O-N 3.34Å; L8-Y11 PolarHBondContact O-N 3.34Å; L8-L12 HydrophobicContact CG-CD1 4.44Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 2.95Å
9A65.8Low58.7Low47 Ų47110.5 Ų110.539%0.38863%0.633SS.*Hα-helixtrans-62.3-42.3175.100000112S5 V6 L12 L13S5-A9 WeakPolarHBondContact O-CB 3.38Å; S5-A9 PolarHBondContact O-N 3.49Å; V6-A9 PolarHBondContact O-N 2.93Å; A9-L12 PolarHBondContact O-N 2.98Å; A9-L13 WeakPolarHBondContact O-CB 3.3Å; A9-L13 VanDerWaalsContact O-CG 3.3Å; A9-L13 WeakPolarHBondContact O-CG 3.47Å; A9-L13 PolarHBondContact O-N 3.46Å
10V66.6Low58.1Low72 Ų72113.2 Ų113.244%0.43664%0.64SS.*Hα-helixtrans-63.4-41.4174.4171.60000111.3V6 L12 L13 L14V6-V10 HydrophobicContact CG1-CG2 4.48Å; V6-V10 WeakPolarHBondContact O-CG2 3.34Å; V6-V10 PolarHBondContact O-N 2.86Å; V10-L12 PolarHBondContact O-N 3.27Å; V10-L13 PolarHBondContact O-N 3.37Å; V10-L14 HydrophobicContact CG1-CD1 3.83Å; V10-L14 HydrophobicContact CG1-CG 4.35Å; V10-L14 WeakPolarHBondContact O-CB 3.38Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.44Å; V10-L14 PolarHBondContact O-N 3.38Å
11Y59.4Low57.4Low182 Ų182119.2 Ų119.271%0.71465%0.652SS**Hα-helixtrans-62.2-41.7175.5-122.3-85.8000112.6T7 L8 L14 A15T7-Y11 PolarHBondContact O-N 3.48Å; L8-Y11 PolarHBondContact O-N 3.34Å; Y11-L14 PolarHBondContact O-N 3.42Å; Y11-A15 WeakPolarHBondContact O-CB 3.33Å; Y11-A15 PolarHBondContact O-N 3.18Å
12L58.3Low57.1Low120 Ų120114.7 Ų114.763%0.62864%0.637SS**Hα-helixtrans-68.4-37.7177.6-71.2167.2000112.3L8 A9 V10 A15 S16L8-L12 HydrophobicContact CG-CD1 4.44Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 2.95Å; A9-L12 PolarHBondContact O-N 2.98Å; V10-L12 PolarHBondContact O-N 3.27Å; L12-A15 PolarHBondContact O-N 3.45Å; L12-S16 PolarHBondContact O-N 2.93Å
13L57.4Low57.3Low123 Ų123113.7 Ų113.764%0.64464%0.636SS**Hα-helixtrans-66.1-43.9173.8-72.2166.8000111.5A9 V10 A15 S16A9-L13 WeakPolarHBondContact O-CB 3.3Å; A9-L13 VanDerWaalsContact O-CG 3.3Å; A9-L13 WeakPolarHBondContact O-CG 3.47Å; A9-L13 PolarHBondContact O-N 3.46Å; V10-L13 PolarHBondContact O-N 3.37Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 2.94Å; L13-S16 PolarHBondContact O-N 2.92Å; L13-S16 PolarHBondContact O-OG 3.44Å
14L56.1Low58.2Low121 Ų121112.6 Ų112.663%0.63463%0.627SS**Hα-helixtrans-68-28.9176.1-69.1172.5000113V10 Y11 S16V10-L14 HydrophobicContact CG1-CD1 3.83Å; V10-L14 HydrophobicContact CG1-CG 4.35Å; V10-L14 WeakPolarHBondContact O-CB 3.38Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.44Å; V10-L14 PolarHBondContact O-N 3.38Å; Y11-L14 PolarHBondContact O-N 3.42Å; L14-S16 PolarHBondContact O-N 2.68Å
15A53.7Low59.6Low65 Ų65109 Ų10954%0.53762%0.619SS.*Hα-helixtrans-69.5-18.3173.600000113.5Y11 L12 L13Y11-A15 WeakPolarHBondContact O-CB 3.33Å; Y11-A15 PolarHBondContact O-N 3.18Å; L12-A15 PolarHBondContact O-N 3.45Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 2.94Å
16S53.6Low61.2Low94 Ų94106.8 Ų106.866%0.65760%0.603SS**THydrogen-bonded Turntrans-83-7.8-174.673.20000115.2L12 L13 L14L12-S16 PolarHBondContact O-N 2.93Å; L13-S16 PolarHBondContact O-N 2.92Å; L13-S16 PolarHBondContact O-OG 3.44Å; L14-S16 PolarHBondContact O-N 2.68Å
17S51.8Low62.5Low92 Ų92106.7 Ų106.764%0.64360%0.603SS**THydrogen-bonded Turntrans-103.116.5-174.672.40000115.2A19S17-A19 PolarHBondContact O-N 2.9Å
18S50.9Low63.9Low93 Ų93108.4 Ų108.465%0.6560%0.604SS**  trans-75.174.2167.464.30000110.4Q20S18-Q20 VanDerWaalsContact C-N 3.25Å; S18-Q20 PolarHBondContact O-N 2.91Å
19A50.2Low65.4Low91 Ų91105.3 Ų105.375%0.75259%0.592SS**  trans-63.69116700000108.6S17 R21S17-A19 PolarHBondContact O-N 2.9Å; A19-R21 PolarHBondContact O-N 2.82Å
20Q47.2Very low66.7Low163 Ų163111.3 Ų111.376%0.76261%0.612SS**  trans-54.3103.9179.8-167.391-17.500108.2S18 T22S18-Q20 VanDerWaalsContact C-N 3.25Å; S18-Q20 PolarHBondContact O-N 2.91Å; Q20-T22 PolarHBondContact O-N 2.81Å
21R42.9Very low67.9Low241 Ų241109.5 Ų109.591%0.90960%0.6SS**  trans-67.590.4171.6-74.2-170.9-178.3-1771.7107.5A19 V23A19-R21 PolarHBondContact O-N 2.82Å; R21-V23 PolarHBondContact O-N 3.19Å
22T54.9Low69.1Low115 Ų115110 Ų11071%0.70661%0.608SS**  trans-56.1121.3170.741.30000107.7Q20 Q24Q20-T22 PolarHBondContact O-N 2.81Å; T22-Q24 VanDerWaalsContact C-N 3.32Å; T22-Q24 PolarHBondContact O-N 3.04Å
23V60Low70.1Confident129 Ų129111 Ų11178%0.78262%0.622SS**  trans-69.597.5176.4179.50000106.6R21 S25R21-V23 PolarHBondContact O-N 3.19Å; V23-S25 PolarHBondContact O-N 2.89Å
24Q75.4Confident71.5Confident118 Ų118109.8 Ų109.855%0.55162%0.624SS**  trans-62.2110.2-179.8-105.9-170.7-43.400108.8T22 S42 L43T22-Q24 VanDerWaalsContact C-N 3.32Å; T22-Q24 PolarHBondContact O-N 3.04Å; Q24-S42 PolarHBondContact NE2-O 3.1Å; Q24-S42 VanDerWaalsContact NE2-O 3.1Å; Q24-L43 HydrophobicContact CB-CD2 3.81Å; Q24-L43 HydrophobicContact CG-CD2 3.69Å
25S88Confident73.1Confident73 Ų73104.9 Ų104.951%0.5160%0.603SS.*  trans-141.8158-175.7-72.40000108.5V23 V27V23-S25 PolarHBondContact O-N 2.89Å; S25-V27 PolarHBondContact O-N 3.45Å
26C94.4Very high75.1Confident22 Ų22103.1 Ų103.115%0.14958%0.584CS.*PPolyproline II helixtrans-62.4137.3179.6-54.90000111.2F28 V38 N39 C40C26-F28 HydrophobicContact CB-CE2 4.01Å; C26-F28 HydrophobicContact CB-CZ 4.14Å; C26-F28 VanDerWaalsContact O-CD2 3.27Å; C26-F28 WeakPolarHBondContact O-CD2 3.27Å; C26-F28 VanDerWaalsContact O-CE2 3.26Å; C26-F28 WeakPolarHBondContact O-CE2 3.18Å; C26-V38 HydrophobicContact CB-CG1 4.16Å; C26-N39 CarbonylContact C-O 3.46Å; C26-N39 WeakPolarHBondContact CA-O 3.26Å; C26-C40 HydrophobicContact CB-CB 4.1Å; C26-C40 WeakPolarHBondContact CB-SG 3.46Å; C26-C40 WeakPolarHBondContact SG-CB 3.47Å; C26-C40 CovalentContact SG-SG 2.04Å; C26-C40 PolarHBondContact SG-SG 3.35Å
27V95.1Very high77.1Confident86 Ų86103 Ų10352%0.52157%0.569SS.*EExtended strand (participates in β ladder)trans-88.5126.1173.5-179.40000108.5S25 N39S25-V27 PolarHBondContact O-N 3.45Å; V27-N39 HydrophobicContact CB-CB 4.44Å; V27-N39 PolarHBondContact N-O 2.78Å; V27-N39 PolarHBondContact O-N 2.77Å
28F95.1Very high79.3Confident112 Ų11298.6 Ų98.649%0.49154%0.539SS..EExtended strand (participates in β ladder)trans-102.3139.6177.6-62.9-91.2000109.1C26 L36 R37 V38 P52C26-F28 HydrophobicContact CB-CE2 4.01Å; C26-F28 HydrophobicContact CB-CZ 4.14Å; C26-F28 VanDerWaalsContact O-CD2 3.27Å; C26-F28 WeakPolarHBondContact O-CD2 3.27Å; C26-F28 VanDerWaalsContact O-CE2 3.26Å; C26-F28 WeakPolarHBondContact O-CE2 3.18Å; F28-L36 HydrophobicContact CB-CD1 4.34Å; F28-L36 HydrophobicContact CD1-CD2 4.14Å; F28-R37 WeakPolarHBondContact CA-O 3.49Å; F28-V38 HydrophobicContact CD1-CG1 4.25Å; F28-V38 HydrophobicContact CD1-CG2 3.81Å; F28-V38 HydrophobicContact CE1-CB 4.49Å; F28-V38 HydrophobicContact CE1-CG1 3.84Å; F28-V38 HydrophobicContact CE1-CG2 3.87Å; F28-V38 HydrophobicContact CZ-CG1 4.34Å; F28-P52 HydrophobicContact CE1-CG 4.22Å
29S95.4Very high81.4Confident52 Ų5297.4 Ų97.436%0.36453%0.525SS..EExtended strand (participates in β ladder)trans-149.2128.4179.2-58.70000110.9R37S29-R37 PolarHBondContact N-O 2.89Å; S29-R37 WeakPolarHBondContact O-CB 3.04Å; S29-R37 PolarHBondContact O-N 2.04Å
30E95.1Very high83.7Confident174 Ų17493 Ų9381%0.81349%0.489SS*.EExtended strand (participates in β ladder)trans-73.9142.6179.2-169.2170.9-162.700111.3
31L90.6Very high86Confident34 Ų3486.2 Ų86.218%0.17846%0.459CS..  trans-113.5127178.4-73.6164.9000109.8S34 G35 R37 T56 E57L31-S34 CarbonylContact O-C 3.56Å; L31-S34 WeakPolarHBondContact O-CA 3.35Å; L31-S34 PolarHBondContact O-N 2.86Å; L31-S34 VanDerWaalsContact O-N 3.08Å; L31-G35 PolarHBondContact N-O 3.23Å; L31-G35 PolarHBondContact O-N 2.84Å; L31-R37 HydrophobicContact CD1-CB 3.95Å; L31-R37 HydrophobicContact CG-CB 4.23Å; L31-T56 VanDerWaalsContact CD1-OG1 3.29Å; L31-T56 WeakPolarHBondContact CD1-OG1 3.25Å; L31-E57 HydrophobicContact CD1-CB 4.43Å; L31-E57 HydrophobicContact CD1-CG 3.86Å
32Q85.4Confident88.5Confident191 Ų19177.6 Ų77.689%0.89344%0.436SS*.SBendtrans-83.9140.7173.8-65.7178.9-8.500110.1
33P79Confident90.4Very high141 Ų14173.6 Ų73.692%0.91641%0.41SS*.SBendcis-80.5-18.92.633.1-36.3000114.5
34S85.8Confident92.1Very high99 Ų9971.2 Ų71.269%0.69239%0.393SS*.SBendtrans-160.8147.2169.357.70000112.4L31L31-S34 CarbonylContact O-C 3.56Å; L31-S34 WeakPolarHBondContact O-CA 3.35Å; L31-S34 PolarHBondContact O-N 2.86Å; L31-S34 VanDerWaalsContact O-N 3.08Å
35G89.8Confident93.1Very high18 Ų1867.6 Ų67.619%0.18638%0.377CS..  trans138.1165.3175.600000113.1L31L31-G35 PolarHBondContact N-O 3.23Å; L31-G35 PolarHBondContact O-N 2.84Å
36L95.7Very high93.4Very high27 Ų2770.9 Ų70.914%0.14139%0.386CS..EExtended strand (participates in β ladder)trans-122.7123.2179-175.868.2000111F28 V38 P52 E54 T55 T56 E57F28-L36 HydrophobicContact CB-CD1 4.34Å; F28-L36 HydrophobicContact CD1-CD2 4.14Å; L36-V38 HydrophobicContact CD2-CG2 3.94Å; L36-V38 HydrophobicContact CG-CG2 3.96Å; L36-P52 HydrophobicContact CD2-CB 3.89Å; L36-P52 HydrophobicContact CD2-CG 3.77Å; L36-E54 HydrophobicContact CB-CG 4.01Å; L36-E54 HydrophobicContact CD2-CG 4.02Å; L36-E54 PolarHBondContact N-O 2.88Å; L36-E54 VanDerWaalsContact N-O 3.1Å; L36-T55 CarbonylContact O-C 3.44Å; L36-T55 WeakPolarHBondContact O-CA 3.48Å; L36-T56 PolarHBondContact N-OG1 3.44Å; L36-T56 PolarHBondContact O-N 2.96Å; L36-T56 PolarHBondContact O-OG1 3.12Å; L36-E57 PolarHBondContact O-N 3.15Å
37R96.7Very high93.4Very high92 Ų9275 Ų7535%0.34740%0.403SS..EExtended strand (participates in β ladder)trans-86.5125.7165176.8176.9-69.61462.3108.9F28 S29 L31 E57 F59F28-R37 WeakPolarHBondContact CA-O 3.49Å; S29-R37 PolarHBondContact N-O 2.89Å; S29-R37 WeakPolarHBondContact O-CB 3.04Å; S29-R37 PolarHBondContact O-N 2.04Å; L31-R37 HydrophobicContact CD1-CB 3.95Å; L31-R37 HydrophobicContact CG-CB 4.23Å; R37-E57 CarbonylContact C-O 3.5Å; R37-E57 WeakPolarHBondContact CA-O 3.37Å; R37-E57 HydrophobicContact CB-CB 4.26Å; R37-E57 HydrophobicContact CG-CB 4.23Å; R37-E57 IonicContact CZ-OE1 3.85Å; R37-E57 IonicContact CZ-OE2 3.18Å; R37-E57 IonicContact NE-OE1 3.98Å; R37-E57 IonicContact NE-OE2 2.73Å; R37-E57 PolarHBondContact NE-OE2 3Å; R37-E57 IonicContact NH2-OE1 3.25Å; R37-E57 PolarHBondContact NH2-OE1 2.89Å; R37-E57 IonicContact NH2-OE2 2.63Å; R37-E57 PolarHBondContact NH2-OE2 3.14Å; R37-F59 HydrophobicContact CG-CD2 4.16Å; R37-F59 HydrophobicContact CG-CE2 3.92Å
38V96.9Very high93.3Very high0 Ų071.1 Ų71.10%038%0.379CS..EExtended strand (participates in β ladder)trans-117.7114.6174.6-175.60000108.6C26 F28 L36 L51 T55 E57 L58 F59C26-V38 HydrophobicContact CB-CG1 4.16Å; F28-V38 HydrophobicContact CD1-CG1 4.25Å; F28-V38 HydrophobicContact CD1-CG2 3.81Å; F28-V38 HydrophobicContact CE1-CB 4.49Å; F28-V38 HydrophobicContact CE1-CG1 3.84Å; F28-V38 HydrophobicContact CE1-CG2 3.87Å; F28-V38 HydrophobicContact CZ-CG1 4.34Å; L36-V38 HydrophobicContact CD2-CG2 3.94Å; L36-V38 HydrophobicContact CG-CG2 3.96Å; V38-L51 HydrophobicContact CG1-CD2 3.96Å; V38-T55 HydrophobicContact CB-CG2 4.21Å; V38-T55 HydrophobicContact CG2-CG2 3.81Å; V38-E57 PolarHBondContact N-O 3.46Å; V38-L58 HydrophobicContact CB-CD1 4.11Å; V38-L58 HydrophobicContact CG1-CD1 4.24Å; V38-L58 WeakPolarHBondContact O-CA 3.06Å; V38-F59 PolarHBondContact O-N 2.85Å
39N96.9Very high93.2Very high67 Ų6768 Ų6836%0.35837%0.37SS..EExtended strand (participates in β ladder)trans-110.1110.7177.7-178.2-14.2000110.3C26 V27 S41 F59C26-N39 CarbonylContact C-O 3.46Å; C26-N39 WeakPolarHBondContact CA-O 3.26Å; V27-N39 HydrophobicContact CB-CB 4.44Å; V27-N39 PolarHBondContact N-O 2.78Å; V27-N39 PolarHBondContact O-N 2.77Å; N39-S41 WeakPolarHBondContact OD1-CB 3.4Å; N39-S41 PolarHBondContact OD1-N 2.83Å; N39-S41 PolarHBondContact OD1-OG 2.73Å; N39-S41 VanDerWaalsContact OD1-OG 3.08Å; N39-F59 HydrophobicContact CB-CB 4.39Å
40C96.6Very high93.1Very high0 Ų074 Ų740%039%0.392CS..  trans-116.520.3177.3-59.80000112C26 L43 L45 F59 V60 N63C26-C40 HydrophobicContact CB-CB 4.1Å; C26-C40 WeakPolarHBondContact CB-SG 3.46Å; C26-C40 WeakPolarHBondContact SG-CB 3.47Å; C26-C40 CovalentContact SG-SG 2.04Å; C26-C40 PolarHBondContact SG-SG 3.35Å; C40-L43 HydrophobicContact CB-CD1 4.11Å; C40-L43 WeakPolarHBondContact O-CG 3.39Å; C40-L45 HydrophobicContact CB-CD1 3.78Å; C40-F59 CarbonylContact C-O 3.54Å; C40-F59 WeakPolarHBondContact CA-O 3.45Å; C40-F59 PolarHBondContact N-O 2.85Å; C40-V60 HydrophobicContact CB-CG1 3.98Å; C40-N63 PolarHBondContact O-ND2 2.79Å
41S96.3Very high93Very high19 Ų1967 Ų6713%0.13336%0.361CS..THydrogen-bonded Turntrans-71.4148.3-173.5-47.60000112.7N39 L43 F59 Q61N39-S41 WeakPolarHBondContact OD1-CB 3.4Å; N39-S41 PolarHBondContact OD1-N 2.83Å; N39-S41 PolarHBondContact OD1-OG 2.73Å; N39-S41 VanDerWaalsContact OD1-OG 3.08Å; S41-L43 WeakPolarHBondContact O-CG 3.15Å; S41-L43 PolarHBondContact O-N 3.05Å; S41-L43 VanDerWaalsContact O-N 3.15Å; S41-F59 PolarHBondContact N-O 2.81Å; S41-F59 WeakPolarHBondContact OG-CB 3.23Å; S41-Q61 VanDerWaalsContact CA-O 3.25Å; S41-Q61 WeakPolarHBondContact CA-O 3.49Å; S41-Q61 PolarHBondContact OG-NE2 2.91Å; S41-Q61 PolarHBondContact OG-OE1 2.66Å
42S95.9Very high93.2Very high61 Ų6167.1 Ų67.143%0.42736%0.363SS..THydrogen-bonded Turntrans58.923.4176.8-53.20000115.5Q24 Q61 D62Q24-S42 PolarHBondContact NE2-O 3.1Å; Q24-S42 VanDerWaalsContact NE2-O 3.1Å; S42-Q61 PolarHBondContact N-O 2.94Å; S42-Q61 VanDerWaalsContact N-O 3.14Å; S42-D62 WeakPolarHBondContact CA-O 3.28Å; S42-D62 VanDerWaalsContact OG-CB 3.31Å; S42-D62 WeakPolarHBondContact OG-CB 3.37Å
43L95.4Very high93.6Very high30 Ų3061.5 Ų61.516%0.15735%0.345CS..SBendtrans-93.85.9-178.7-59.6-171.9000113.5Q24 C40 S41 L45 N63Q24-L43 HydrophobicContact CB-CD2 3.81Å; Q24-L43 HydrophobicContact CG-CD2 3.69Å; C40-L43 HydrophobicContact CB-CD1 4.11Å; C40-L43 WeakPolarHBondContact O-CG 3.39Å; S41-L43 WeakPolarHBondContact O-CG 3.15Å; S41-L43 PolarHBondContact O-N 3.05Å; S41-L43 VanDerWaalsContact O-N 3.15Å; L43-L45 HydrophobicContact CB-CD1 4.19Å; L43-L45 HydrophobicContact CB-CG 3.91Å; L43-L45 HydrophobicContact CD1-CD1 4.41Å; L43-L45 PolarHBondContact O-N 3.1Å; L43-N63 PolarHBondContact N-OD1 3.18Å; L43-N63 VanDerWaalsContact N-OD1 3.12Å
44N95.1Very high94.3Very high80 Ų8059.3 Ų59.343%0.42832%0.323SS..  trans57.823.2-176.2-71.3-97.5000114.9M46 N63 R64N44-M46 PolarHBondContact O-N 3.36Å; N44-N63 PolarHBondContact N-OD1 3.25Å; N44-R64 VanDerWaalsContact OD1-CZ 3.29Å; N44-R64 PolarHBondContact OD1-NE 2.86Å; N44-R64 PolarHBondContact OD1-NH2 3.22Å
45L95.3Very high94.7Very high42 Ų4254.6 Ų54.622%0.2229%0.29CS..  trans-61.3130.1-176.4-67.3168.7000112.3C40 L43 N63 R64 L65C40-L45 HydrophobicContact CB-CD1 3.78Å; L43-L45 HydrophobicContact CB-CD1 4.19Å; L43-L45 HydrophobicContact CB-CG 3.91Å; L43-L45 HydrophobicContact CD1-CD1 4.41Å; L43-L45 PolarHBondContact O-N 3.1Å; L45-N63 HydrophobicContact CB-CB 4.2Å; L45-N63 PolarHBondContact N-OD1 2.85Å; L45-R64 CarbonylContact O-C 3.59Å; L45-R64 VanDerWaalsContact O-CA 3.27Å; L45-R64 WeakPolarHBondContact O-CA 3.48Å; L45-R64 WeakPolarHBondContact O-CB 3.49Å; L45-R64 PolarHBondContact O-N 3.14Å; L45-L65 HydrophobicContact CB-CD2 4.35Å; L45-L65 PolarHBondContact O-N 3.29Å
46M95.5Very high95.1Very high142 Ų14254.4 Ų54.470%0.729%0.285SS*.SBendtrans-94.6-20.8172.9-62.6179.8-175.400112.7N44 R64N44-M46 PolarHBondContact O-N 3.36Å; M46-R64 HydrophobicContact CG-CB 4.01Å
47E94.2Very high95.1Very high109 Ų10954.9 Ų54.951%0.50929%0.286SS..SBendtrans-134.2152.3171.3-157.3-158140.500109.3P69 K72E47-P69 HydrophobicContact CG-CG 4.29Å; E47-K72 WeakPolarHBondContact OE1-CE 3.36Å; E47-K72 IonicContact OE1-NZ 3.32Å; E47-K72 PolarHBondContact OE1-NZ 3.08Å
48L93.4Very high95.2Very high3 Ų350.5 Ų50.52%0.01627%0.27CS..  trans-70.3132.2171.2-71.2175.5000111.1V60 L65 V68 K72 F73L48-V60 HydrophobicContact CD2-CB 3.91Å; L48-V60 HydrophobicContact CD2-CG1 3.55Å; L48-V60 HydrophobicContact CD2-CG2 4.17Å; L48-L65 HydrophobicContact CD2-CD1 3.62Å; L48-L65 HydrophobicContact CD2-CD2 4.36Å; L48-L65 HydrophobicContact CG-CD1 4.03Å; L48-L65 HydrophobicContact CG-CD2 4.28Å; L48-V68 HydrophobicContact CD1-CG1 3.92Å; L48-V68 HydrophobicContact CD1-CG2 3.86Å; L48-K72 HydrophobicContact CB-CD 4.48Å; L48-K72 PolarHBondContact O-NZ 2.81Å; L48-F73 HydrophobicContact CD1-CE1 3.51Å; L48-F73 HydrophobicContact CD1-CZ 3.66Å
49P92.7Very high95.2Very high46 Ų4652.1 Ų52.130%0.29928%0.277SS..  trans-66.1179.4174.730-36000111.9L51P49-L51 HydrophobicContact CG-CD2 4.27Å; P49-L51 PolarHBondContact O-N 3.36Å
50H92.1Very high95.3Very high178 Ų17849 Ų4982%0.82426%0.26SS*.PPolyproline II helixtrans-69.6121167.8-65.8127.8000110
51L94.1Very high95.3Very high29 Ų2950.8 Ų50.815%0.15227%0.268CS..PPolyproline II helixtrans-103.5133.7-178.5-62.1174.3000109.9V38 P49 L58 L76V38-L51 HydrophobicContact CG1-CD2 3.96Å; P49-L51 HydrophobicContact CG-CD2 4.27Å; P49-L51 PolarHBondContact O-N 3.36Å; L51-L58 HydrophobicContact CD1-CD1 3.76Å; L51-L58 HydrophobicContact CD1-CD2 3.6Å; L51-L58 HydrophobicContact CD1-CG 4.34Å; L51-L58 HydrophobicContact CD2-CD1 3.69Å; L51-L58 HydrophobicContact CG-CD1 4.38Å; L51-L76 HydrophobicContact CB-CD1 4.19Å; L51-L76 HydrophobicContact CB-CD2 4.06Å; L51-L76 HydrophobicContact CD1-CD1 3.84Å
52P93.6Very high95.3Very high36 Ų3653.7 Ų53.723%0.23428%0.283CS..PPolyproline II helixtrans-68.1145.8177.4-19.833.1000112.9F28 L36 E54 T55 L76F28-P52 HydrophobicContact CE1-CG 4.22Å; L36-P52 HydrophobicContact CD2-CB 3.89Å; L36-P52 HydrophobicContact CD2-CG 3.77Å; P52-E54 HydrophobicContact CB-CG 4.24Å; P52-E54 WeakPolarHBondContact CB-OE1 3.11Å; P52-E54 WeakPolarHBondContact CB-OE2 3.31Å; P52-E54 PolarHBondContact O-N 3.28Å; P52-T55 VanDerWaalsContact O-CB 3.28Å; P52-T55 WeakPolarHBondContact O-CB 3.49Å; P52-T55 PolarHBondContact O-N 3.15Å; P52-T55 PolarHBondContact O-OG1 2.87Å; P52-L76 VanDerWaalsContact O-CD2 3.23Å; P52-L76 WeakPolarHBondContact O-CD2 3.27Å
53S93.9Very high95.4Very high73 Ų7351.4 Ų51.451%0.5127%0.265SS..THydrogen-bonded Turntrans-59.1-25.7-177.335.10000115.4T55S53-T55 VanDerWaalsContact C-N 3.29Å
54E93.6Very high95.5Very high95 Ų9556.2 Ų56.244%0.44428%0.282SS..THydrogen-bonded Turntrans-85.32179.664-84-164.900113.2L36 P52 T56L36-E54 HydrophobicContact CB-CG 4.01Å; L36-E54 HydrophobicContact CD2-CG 4.02Å; L36-E54 PolarHBondContact N-O 2.88Å; L36-E54 VanDerWaalsContact N-O 3.1Å; P52-E54 HydrophobicContact CB-CG 4.24Å; P52-E54 WeakPolarHBondContact CB-OE1 3.11Å; P52-E54 WeakPolarHBondContact CB-OE2 3.31Å; P52-E54 PolarHBondContact O-N 3.28Å; E54-T56 PolarHBondContact O-N 2.83Å; E54-T56 VanDerWaalsContact O-N 3.14Å
55T96Very high95.7Very high0 Ų052.4 Ų52.40%026%0.261CS..EExtended strand (participates in β ladder)trans-59.6115.1174.2-55.90000110.5L36 V38 P52 S53 E57 L58 L79L36-T55 CarbonylContact O-C 3.44Å; L36-T55 WeakPolarHBondContact O-CA 3.48Å; V38-T55 HydrophobicContact CB-CG2 4.21Å; V38-T55 HydrophobicContact CG2-CG2 3.81Å; P52-T55 VanDerWaalsContact O-CB 3.28Å; P52-T55 WeakPolarHBondContact O-CB 3.49Å; P52-T55 PolarHBondContact O-N 3.15Å; P52-T55 PolarHBondContact O-OG1 2.87Å; S53-T55 VanDerWaalsContact C-N 3.29Å; T55-E57 WeakPolarHBondContact CG2-O 3.42Å; T55-L58 HydrophobicContact CG2-CB 4.16Å; T55-L79 HydrophobicContact CG2-CD1 3.97Å
56T96.6Very high95.8Very high14 Ų1453.8 Ų53.89%0.08627%0.271CS..EExtended strand (participates in β ladder)trans-102-27.7175.350.50000112.1L31 L36 E54 N78 R80 K81L31-T56 VanDerWaalsContact CD1-OG1 3.29Å; L31-T56 WeakPolarHBondContact CD1-OG1 3.25Å; L36-T56 PolarHBondContact N-OG1 3.44Å; L36-T56 PolarHBondContact O-N 2.96Å; L36-T56 PolarHBondContact O-OG1 3.12Å; E54-T56 PolarHBondContact O-N 2.83Å; E54-T56 VanDerWaalsContact O-N 3.14Å; T56-N78 WeakPolarHBondContact CA-O 3.2Å; T56-N78 HydrophobicContact CG2-CB 4.04Å; T56-N78 WeakPolarHBondContact CG2-O 3.36Å; T56-R80 PolarHBondContact O-N 3.31Å; T56-K81 PolarHBondContact O-N 3.48Å; T56-K81 VanDerWaalsContact O-N 3.14Å
57E97.3Very high95.8Very high37 Ų3748.3 Ų48.317%0.17325%0.247CC..EExtended strand (participates in β ladder)trans-131.7128.5174.3-60.4-174.3-157.600111L31 L36 R37 V38 T55 F59 K81L31-E57 HydrophobicContact CD1-CB 4.43Å; L31-E57 HydrophobicContact CD1-CG 3.86Å; L36-E57 PolarHBondContact O-N 3.15Å; R37-E57 CarbonylContact C-O 3.5Å; R37-E57 WeakPolarHBondContact CA-O 3.37Å; R37-E57 HydrophobicContact CB-CB 4.26Å; R37-E57 HydrophobicContact CG-CB 4.23Å; R37-E57 IonicContact CZ-OE1 3.85Å; R37-E57 IonicContact CZ-OE2 3.18Å; R37-E57 IonicContact NE-OE1 3.98Å; R37-E57 IonicContact NE-OE2 2.73Å; R37-E57 PolarHBondContact NE-OE2 3Å; R37-E57 IonicContact NH2-OE1 3.25Å; R37-E57 PolarHBondContact NH2-OE1 2.89Å; R37-E57 IonicContact NH2-OE2 2.63Å; R37-E57 PolarHBondContact NH2-OE2 3.14Å; V38-E57 PolarHBondContact N-O 3.46Å; T55-E57 WeakPolarHBondContact CG2-O 3.42Å; E57-F59 HydrophobicContact CB-CE2 3.88Å; E57-F59 WeakPolarHBondContact OE2-CE2 3.2Å; E57-K81 CarbonylContact C-O 3.54Å; E57-K81 WeakPolarHBondContact CA-O 3.45Å; E57-K81 HydrophobicContact CB-CB 4.42Å; E57-K81 HydrophobicContact CG-CB 4.08Å
58L97.6Very high95.9Very high0 Ų043.1 Ų43.10%022%0.223CC..EExtended strand (participates in β ladder)trans-125.2120.4-179-179.667.1000111.2V38 L51 T55 V60 F73 L79 K81 V82 S83V38-L58 HydrophobicContact CB-CD1 4.11Å; V38-L58 HydrophobicContact CG1-CD1 4.24Å; V38-L58 WeakPolarHBondContact O-CA 3.06Å; L51-L58 HydrophobicContact CD1-CD1 3.76Å; L51-L58 HydrophobicContact CD1-CD2 3.6Å; L51-L58 HydrophobicContact CD1-CG 4.34Å; L51-L58 HydrophobicContact CD2-CD1 3.69Å; L51-L58 HydrophobicContact CG-CD1 4.38Å; T55-L58 HydrophobicContact CG2-CB 4.16Å; L58-V60 HydrophobicContact CD1-CG1 3.66Å; L58-V60 HydrophobicContact CD2-CG1 4.22Å; L58-V60 HydrophobicContact CD2-CG2 4.44Å; L58-V60 HydrophobicContact CG-CG1 3.79Å; L58-V60 HydrophobicContact CG-CG2 4.37Å; L58-F73 HydrophobicContact CD2-CD1 4.38Å; L58-F73 HydrophobicContact CD2-CE1 3.71Å; L58-F73 HydrophobicContact CD2-CZ 4.48Å; L58-L79 HydrophobicContact CB-CD1 3.9Å; L58-K81 PolarHBondContact N-O 3.18Å; L58-V82 HydrophobicContact CB-CG2 4.38Å; L58-V82 CarbonylContact O-C 3.57Å; L58-V82 VanDerWaalsContact O-CA 3.3Å; L58-V82 WeakPolarHBondContact O-CA 3.35Å; L58-S83 PolarHBondContact O-N 3.26Å
59F97.8Very high95.9Very high34 Ų3445.1 Ų45.115%0.14924%0.236CC..EExtended strand (participates in β ladder)trans-113.9111.6175.7-59.8-87.1000109.1R37 V38 N39 C40 S41 E57 K81R37-F59 HydrophobicContact CG-CD2 4.16Å; R37-F59 HydrophobicContact CG-CE2 3.92Å; V38-F59 PolarHBondContact O-N 2.85Å; N39-F59 HydrophobicContact CB-CB 4.39Å; C40-F59 CarbonylContact C-O 3.54Å; C40-F59 WeakPolarHBondContact CA-O 3.45Å; C40-F59 PolarHBondContact N-O 2.85Å; S41-F59 PolarHBondContact N-O 2.81Å; S41-F59 WeakPolarHBondContact OG-CB 3.23Å; E57-F59 HydrophobicContact CB-CE2 3.88Å; E57-F59 WeakPolarHBondContact OE2-CE2 3.2Å; F59-K81 HydrophobicContact CZ-CD 4.27Å
60V97.4Very high96Very high0 Ų048.1 Ų48.10%026%0.256CS..  trans-133.814.1-174.7-69.50000112.6C40 L48 L58 N63 L65 S83 L84 N87C40-V60 HydrophobicContact CB-CG1 3.98Å; L48-V60 HydrophobicContact CD2-CB 3.91Å; L48-V60 HydrophobicContact CD2-CG1 3.55Å; L48-V60 HydrophobicContact CD2-CG2 4.17Å; L58-V60 HydrophobicContact CD1-CG1 3.66Å; L58-V60 HydrophobicContact CD2-CG1 4.22Å; L58-V60 HydrophobicContact CD2-CG2 4.44Å; L58-V60 HydrophobicContact CG-CG1 3.79Å; L58-V60 HydrophobicContact CG-CG2 4.37Å; V60-N63 PolarHBondContact O-ND2 2.92Å; V60-L65 HydrophobicContact CB-CD1 4.38Å; V60-S83 WeakPolarHBondContact CG2-O 3.3Å; V60-S83 PolarHBondContact N-O 3.08Å; V60-L84 HydrophobicContact CG2-CD2 3.6Å; V60-L84 HydrophobicContact CG2-CG 4.14Å; V60-N87 PolarHBondContact O-ND2 3.4Å
61Q97.3Very high96Very high38 Ų3840.8 Ų40.818%0.17823%0.228CC..  trans-65.6168.5173.374.2-812100114S41 S42 N63 S83 S85S41-Q61 VanDerWaalsContact CA-O 3.25Å; S41-Q61 WeakPolarHBondContact CA-O 3.49Å; S41-Q61 PolarHBondContact OG-NE2 2.91Å; S41-Q61 PolarHBondContact OG-OE1 2.66Å; S42-Q61 PolarHBondContact N-O 2.94Å; S42-Q61 VanDerWaalsContact N-O 3.14Å; Q61-N63 PolarHBondContact O-N 2.78Å; Q61-N63 PolarHBondContact O-ND2 2.79Å; Q61-N63 VanDerWaalsContact O-ND2 3.15Å; Q61-S83 PolarHBondContact N-O 3.32Å; Q61-S85 WeakPolarHBondContact CB-O 3.34Å
62D96.9Very high96Very high81 Ų8141.5 Ų41.543%0.43323%0.23SC..SBendtrans59.432.8179.6-58.8-61.8000113.2S42 P86S42-D62 WeakPolarHBondContact CA-O 3.28Å; S42-D62 VanDerWaalsContact OG-CB 3.31Å; S42-D62 WeakPolarHBondContact OG-CB 3.37Å; D62-P86 PolarHBondContact N-O 2.65Å; D62-P86 WeakPolarHBondContact OD1-CD 3.24Å; D62-P86 WeakPolarHBondContact OD1-CG 3.32Å
63N97.9Very high96.1Very high12 Ų1239.9 Ų39.96%0.06422%0.22CC..SBendtrans-114.3-169.9-179.9-79.5-57.9000111.4C40 L43 N44 L45 V60 Q61 L65 N87 P88C40-N63 PolarHBondContact O-ND2 2.79Å; L43-N63 PolarHBondContact N-OD1 3.18Å; L43-N63 VanDerWaalsContact N-OD1 3.12Å; N44-N63 PolarHBondContact N-OD1 3.25Å; L45-N63 HydrophobicContact CB-CB 4.2Å; L45-N63 PolarHBondContact N-OD1 2.85Å; V60-N63 PolarHBondContact O-ND2 2.92Å; Q61-N63 PolarHBondContact O-N 2.78Å; Q61-N63 PolarHBondContact O-ND2 2.79Å; Q61-N63 VanDerWaalsContact O-ND2 3.15Å; N63-L65 HydrophobicContact CB-CG 4.21Å; N63-N87 WeakPolarHBondContact CA-OD1 3.43Å; N63-N87 WeakPolarHBondContact CB-OD1 3.29Å; N63-N87 PolarHBondContact O-OD1 2.85Å; N63-P88 VanDerWaalsContact O-CD 3.3Å; N63-P88 WeakPolarHBondContact O-CD 3.44Å
64R97.6Very high96.1Very high131 Ų13141.4 Ų41.449%0.49422%0.222SC..  trans-115.426.2-177-60.3-179.6-176.7-109.6-2.3111.8N44 L45 M46 T66 N87N44-R64 VanDerWaalsContact OD1-CZ 3.29Å; N44-R64 PolarHBondContact OD1-NE 2.86Å; N44-R64 PolarHBondContact OD1-NH2 3.22Å; L45-R64 CarbonylContact O-C 3.59Å; L45-R64 VanDerWaalsContact O-CA 3.27Å; L45-R64 WeakPolarHBondContact O-CA 3.48Å; L45-R64 WeakPolarHBondContact O-CB 3.49Å; L45-R64 PolarHBondContact O-N 3.14Å; M46-R64 HydrophobicContact CG-CB 4.01Å; R64-T66 PolarHBondContact O-N 3.25Å; R64-N87 PolarHBondContact N-OD1 2.94Å
65L97.9Very high96Very high0 Ų046.7 Ų46.70%024%0.238CC..  trans-68.1118.7-179.5-54.6175.1000109.6L45 L48 V60 N63 N87 P88 F89L45-L65 HydrophobicContact CB-CD2 4.35Å; L45-L65 PolarHBondContact O-N 3.29Å; L48-L65 HydrophobicContact CD2-CD1 3.62Å; L48-L65 HydrophobicContact CD2-CD2 4.36Å; L48-L65 HydrophobicContact CG-CD1 4.03Å; L48-L65 HydrophobicContact CG-CD2 4.28Å; V60-L65 HydrophobicContact CB-CD1 4.38Å; N63-L65 HydrophobicContact CB-CG 4.21Å; L65-N87 HydrophobicContact CB-CB 4.25Å; L65-N87 VanDerWaalsContact CB-OD1 3.27Å; L65-N87 WeakPolarHBondContact CB-OD1 3.35Å; L65-N87 WeakPolarHBondContact CG-OD1 3.4Å; L65-N87 PolarHBondContact N-OD1 2.94Å; L65-P88 CarbonylContact O-C 3.54Å; L65-P88 WeakPolarHBondContact O-CD 3.15Å; L65-F89 HydrophobicContact CB-CE1 4.12Å
66T97.6Very high96Very high71 Ų7147.1 Ų47.144%0.43624%0.24SC..SBendtrans-92-26175.153.50000112.3R64 F89 R90R64-T66 PolarHBondContact O-N 3.25Å; T66-F89 CarbonylContact O-C 3.46Å; T66-F89 WeakPolarHBondContact O-CA 3.46Å; T66-R90 PolarHBondContact O-N 3.21Å
67S96.6Very high95.8Very high27 Ų2750.9 Ų50.919%0.18927%0.273CS..  trans-157179.1170.560.50000110.3S94S67-S94 WeakPolarHBondContact CB-OG 3.39Å; S67-S94 PolarHBondContact OG-OG 3.29Å
68V96.4Very high95.6Very high1 Ų153.4 Ų53.41%0.00629%0.287CS..  trans-119.6122.2173.1172.50000108.4L48 K72 F73 Y97 L98L48-V68 HydrophobicContact CD1-CG1 3.92Å; L48-V68 HydrophobicContact CD1-CG2 3.86Å; V68-K72 HydrophobicContact CG1-CB 3.81Å; V68-K72 HydrophobicContact CG1-CG 4.3Å; V68-F73 HydrophobicContact CG1-CD2 4.31Å; V68-F73 HydrophobicContact CG1-CE2 3.96Å; V68-F73 HydrophobicContact CG1-CZ 4.08Å; V68-F73 HydrophobicContact CG2-CE2 4.19Å; V68-F73 HydrophobicContact CG2-CZ 4.1Å; V68-Y97 HydrophobicContact CB-CD1 4.49Å; V68-Y97 HydrophobicContact CG1-CD1 4.09Å; V68-Y97 HydrophobicContact CG1-CE1 3.86Å; V68-Y97 WeakPolarHBondContact O-CD1 3.19Å; V68-L98 HydrophobicContact CB-CB 4.34Å; V68-L98 HydrophobicContact CB-CD1 4.34Å; V68-L98 HydrophobicContact CG2-CD1 4.07Å; V68-L98 HydrophobicContact CG2-CD2 4.11Å
69P93.6Very high95.5Very high44 Ų4454.2 Ų54.229%0.28629%0.291SS..  trans-58142.9177.5-27.534.3000113.3E47 G71 K72 Y97E47-P69 HydrophobicContact CG-CG 4.29Å; P69-G71 PolarHBondContact O-N 3.2Å; P69-K72 HydrophobicContact CB-CG 3.89Å; P69-K72 HydrophobicContact CG-CG 4.29Å; P69-K72 WeakPolarHBondContact O-CB 3.43Å; P69-K72 VanDerWaalsContact O-CG 3.24Å; P69-K72 WeakPolarHBondContact O-CG 3.34Å; P69-K72 PolarHBondContact O-N 2.92Å; P69-Y97 WeakPolarHBondContact O-CE1 3.45Å
70P94.6Very high95.4Very high110 Ų11061.5 Ų61.571%0.71432%0.318SS*.THydrogen-bonded Turntrans-51.1137.5177.3-28.435.3000113.9K72 Y97P70-K72 VanDerWaalsContact C-N 3.31Å; P70-K72 PolarHBondContact O-N 2.88Å; P70-Y97 HydrophobicContact CB-CD2 4.28Å; P70-Y97 HydrophobicContact CB-CG 4.24Å; P70-Y97 HydrophobicContact CG-CG 4.47Å
71G92.4Very high95.4Very high24 Ų2465.9 Ų65.925%0.24734%0.337CS..THydrogen-bonded Turntrans80.1-4.2178.100000116.3P69 F73 D74 Y97P69-G71 PolarHBondContact O-N 3.2Å; G71-F73 VanDerWaalsContact C-N 3.34Å; G71-F73 PolarHBondContact O-N 2.74Å; G71-D74 WeakPolarHBondContact CA-OD2 3.3Å; G71-D74 PolarHBondContact O-N 2.83Å; G71-Y97 VanDerWaalsContact N-CE2 3.33Å; G71-Y97 VanDerWaalsContact N-CZ 3.29Å
72K93.9Very high95.4Very high43 Ų4364.1 Ų64.119%0.18733%0.329CS..THydrogen-bonded Turntrans-61.8-36.1-179.1-77.4-87.1-171.4169.80113.5E47 L48 V68 P69 P70E47-K72 WeakPolarHBondContact OE1-CE 3.36Å; E47-K72 IonicContact OE1-NZ 3.32Å; E47-K72 PolarHBondContact OE1-NZ 3.08Å; L48-K72 HydrophobicContact CB-CD 4.48Å; L48-K72 PolarHBondContact O-NZ 2.81Å; V68-K72 HydrophobicContact CG1-CB 3.81Å; V68-K72 HydrophobicContact CG1-CG 4.3Å; P69-K72 HydrophobicContact CB-CG 3.89Å; P69-K72 HydrophobicContact CG-CG 4.29Å; P69-K72 WeakPolarHBondContact O-CB 3.43Å; P69-K72 VanDerWaalsContact O-CG 3.24Å; P69-K72 WeakPolarHBondContact O-CG 3.34Å; P69-K72 PolarHBondContact O-N 2.92Å; P70-K72 VanDerWaalsContact C-N 3.31Å; P70-K72 PolarHBondContact O-N 2.88Å
73F95.9Very high95.5Very high3 Ų360.8 Ų60.81%0.01331%0.312CS..THydrogen-bonded Turntrans-97.1-16.9177.7-59.4-35.4000113.5L48 L58 V68 G71 R75 L76 L84 Y97 L98 W101L48-F73 HydrophobicContact CD1-CE1 3.51Å; L48-F73 HydrophobicContact CD1-CZ 3.66Å; L58-F73 HydrophobicContact CD2-CD1 4.38Å; L58-F73 HydrophobicContact CD2-CE1 3.71Å; L58-F73 HydrophobicContact CD2-CZ 4.48Å; V68-F73 HydrophobicContact CG1-CD2 4.31Å; V68-F73 HydrophobicContact CG1-CE2 3.96Å; V68-F73 HydrophobicContact CG1-CZ 4.08Å; V68-F73 HydrophobicContact CG2-CE2 4.19Å; V68-F73 HydrophobicContact CG2-CZ 4.1Å; G71-F73 VanDerWaalsContact C-N 3.34Å; G71-F73 PolarHBondContact O-N 2.74Å; F73-R75 PolarHBondContact O-N 2.84Å; F73-R75 VanDerWaalsContact O-N 3.13Å; F73-L76 HydrophobicContact CD1-CD1 4.06Å; F73-L76 WeakPolarHBondContact O-CB 3.27Å; F73-L76 PolarHBondContact O-N 2.78Å; F73-L84 HydrophobicContact CE2-CD1 4.47Å; F73-L84 HydrophobicContact CZ-CD2 4.24Å; F73-Y97 HydrophobicContact CD2-CE1 4.49Å; F73-Y97 PolarHBondContact N-OH 3.08Å; F73-L98 HydrophobicContact CE2-CD1 3.85Å; F73-W101 HydrophobicContact CB-CD2 4.26Å; F73-W101 HydrophobicContact CB-CG 4.34Å; F73-W101 HydrophobicContact CB-CZ2 4.26Å; F73-W101 AromaticContact CD2-CD2 3.67Å; F73-W101 HydrophobicContact CD2-CD2 3.67Å; F73-W101 AromaticContact CD2-CE2 3.87Å; F73-W101 AromaticContact CD2-CE3 3.92Å; F73-W101 HydrophobicContact CD2-CE3 3.92Å; F73-W101 HydrophobicContact CD2-CG 4.04Å; F73-W101 HydrophobicContact CD2-CZ2 4.35Å; F73-W101 HydrophobicContact CD2-CZ3 4.37Å; F73-W101 HydrophobicContact CE2-CD2 4.49Å; F73-W101 HydrophobicContact CE2-CE3 4.3Å; F73-W101 HydrophobicContact CG-CD2 4.39Å; F73-W101 HydrophobicContact CG-CZ2 4.49Å
74D93.9Very high95.5Very high104 Ų10460.2 Ų60.256%0.55631%0.309SS*.THydrogen-bonded Turntrans-65.6-20.5-175.6-60.5-4.2000112.9G71 Y97G71-D74 WeakPolarHBondContact CA-OD2 3.3Å; G71-D74 PolarHBondContact O-N 2.83Å; D74-Y97 VanDerWaalsContact CG-OH 3.26Å; D74-Y97 PolarHBondContact N-OH 3.15Å; D74-Y97 VanDerWaalsContact OD1-CE2 3.3Å; D74-Y97 WeakPolarHBondContact OD1-CE2 3.38Å; D74-Y97 PolarHBondContact OD1-OH 3.01Å
75R91.6Very high95.4Very high207 Ų20754.7 Ų54.778%0.78129%0.29SS*.THydrogen-bonded Turntrans-83.3-12174.6-59.9-175.1-178.1-1670113.8F73 A77F73-R75 PolarHBondContact O-N 2.84Å; F73-R75 VanDerWaalsContact O-N 3.13Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.33Å
76L95.1Very high95.3Very high8 Ų858.2 Ų58.24%0.04231%0.313CS..  trans-95.558.8-174-51.4-176.5000110L51 P52 F73 N78 L79L51-L76 HydrophobicContact CB-CD1 4.19Å; L51-L76 HydrophobicContact CB-CD2 4.06Å; L51-L76 HydrophobicContact CD1-CD1 3.84Å; P52-L76 VanDerWaalsContact O-CD2 3.23Å; P52-L76 WeakPolarHBondContact O-CD2 3.27Å; F73-L76 HydrophobicContact CD1-CD1 4.06Å; F73-L76 WeakPolarHBondContact O-CB 3.27Å; F73-L76 PolarHBondContact O-N 2.78Å; L76-N78 PolarHBondContact O-N 3.14Å; L76-L79 HydrophobicContact CB-CB 3.99Å; L76-L79 HydrophobicContact CB-CD2 3.99Å; L76-L79 HydrophobicContact CD1-CD2 3.94Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.29Å
77A92.4Very high95.4Very high94 Ų9455.6 Ų55.678%0.77730%0.296SS*.THydrogen-bonded Turntrans-62.3-16.4-172.300000114.5R75R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.33Å
78N93.9Very high95.4Very high89 Ų8956.5 Ų56.548%0.47630%0.302SS..THydrogen-bonded Turntrans-98.55.5178.8-61.7-67.7000113.6T56 L76 R80T56-N78 WeakPolarHBondContact CA-O 3.2Å; T56-N78 HydrophobicContact CG2-CB 4.04Å; T56-N78 WeakPolarHBondContact CG2-O 3.36Å; L76-N78 PolarHBondContact O-N 3.14Å; N78-R80 PolarHBondContact O-N 3.39Å
79L95.6Very high95.5Very high17 Ų1756.5 Ų56.59%0.08930%0.301CS..  trans-70.3116.7-171.6-166.661.4000111.6T55 L58 L76 V82 W101 V108T55-L79 HydrophobicContact CG2-CD1 3.97Å; L58-L79 HydrophobicContact CB-CD1 3.9Å; L76-L79 HydrophobicContact CB-CB 3.99Å; L76-L79 HydrophobicContact CB-CD2 3.99Å; L76-L79 HydrophobicContact CD1-CD2 3.94Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.29Å; L79-V82 HydrophobicContact CD1-CG2 4Å; L79-V82 HydrophobicContact CD2-CG2 3.38Å; L79-V82 HydrophobicContact CG-CG2 3.63Å; L79-W101 HydrophobicContact CD2-CH2 4.43Å; L79-W101 HydrophobicContact CD2-CZ2 4.08Å; L79-V108 HydrophobicContact CG-CG1 4.21Å
80R95.4Very high95.8Very high187 Ų18760.6 Ų60.671%0.70631%0.311SS*.  trans-110.2-23.6-176.3-66.3176.2-171.9-76.1-3.4113.5T56 N78T56-R80 PolarHBondContact O-N 3.31Å; N78-R80 PolarHBondContact O-N 3.39Å
81K96.9Very high95.9Very high93 Ų9355.4 Ų55.440%0.40428%0.277SS..EExtended strand (participates in β ladder)trans-141.7133.3175.8-167.4169.9-175.8171.60111.7T56 E57 L58 F59 V108 S110T56-K81 PolarHBondContact O-N 3.48Å; T56-K81 VanDerWaalsContact O-N 3.14Å; E57-K81 CarbonylContact C-O 3.54Å; E57-K81 WeakPolarHBondContact CA-O 3.45Å; E57-K81 HydrophobicContact CB-CB 4.42Å; E57-K81 HydrophobicContact CG-CB 4.08Å; L58-K81 PolarHBondContact N-O 3.18Å; F59-K81 HydrophobicContact CZ-CD 4.27Å; K81-V108 CarbonylContact C-O 3.56Å; K81-V108 WeakPolarHBondContact CA-O 3.05Å; K81-S110 WeakPolarHBondContact CE-OG 3.26Å; K81-S110 WeakPolarHBondContact CG-OG 3.37Å
82V97.8Very high96Very high0 Ų055.5 Ų55.50%027%0.272CS..EExtended strand (participates in β ladder)trans-129.5136.6173.5174.80000109.3L58 L79 L84 W101 V108 S110L58-V82 HydrophobicContact CB-CG2 4.38Å; L58-V82 CarbonylContact O-C 3.57Å; L58-V82 VanDerWaalsContact O-CA 3.3Å; L58-V82 WeakPolarHBondContact O-CA 3.35Å; L79-V82 HydrophobicContact CD1-CG2 4Å; L79-V82 HydrophobicContact CD2-CG2 3.38Å; L79-V82 HydrophobicContact CG-CG2 3.63Å; V82-L84 HydrophobicContact CG1-CD1 3.63Å; V82-L84 HydrophobicContact CG1-CG 3.65Å; V82-W101 HydrophobicContact CB-CH2 4.46Å; V82-W101 HydrophobicContact CG2-CH2 3.87Å; V82-V108 HydrophobicContact CB-CG1 4.46Å; V82-V108 HydrophobicContact CG2-CG1 3.89Å; V82-V108 PolarHBondContact N-O 3.03Å; V82-S110 VanDerWaalsContact O-CB 3.32Å; V82-S110 WeakPolarHBondContact O-CB 3.14Å; V82-S110 PolarHBondContact O-N 2.58Å; V82-S110 PolarHBondContact O-OG 3.45Å
83S97.9Very high96.1Very high11 Ų1156 Ų568%0.07728%0.28CS..EExtended strand (participates in β ladder)trans-120.8118.2164.1-171.90000110.4L58 V60 Q61L58-S83 PolarHBondContact O-N 3.26Å; V60-S83 WeakPolarHBondContact CG2-O 3.3Å; V60-S83 PolarHBondContact N-O 3.08Å; Q61-S83 PolarHBondContact N-O 3.32Å
84L97.5Very high96Very high0 Ų058.4 Ų58.40%030%0.298CS..  trans-114.8-17.9-178.9-76.7155.7000112.8V60 F73 V82 P86 N87 F89 L98 L102 P113V60-L84 HydrophobicContact CG2-CD2 3.6Å; V60-L84 HydrophobicContact CG2-CG 4.14Å; F73-L84 HydrophobicContact CE2-CD1 4.47Å; F73-L84 HydrophobicContact CZ-CD2 4.24Å; V82-L84 HydrophobicContact CG1-CD1 3.63Å; V82-L84 HydrophobicContact CG1-CG 3.65Å; L84-P86 CarbonylContact O-C 3.56Å; L84-N87 WeakPolarHBondContact O-CB 3.47Å; L84-N87 PolarHBondContact O-ND2 3.13Å; L84-F89 HydrophobicContact CB-CE2 4.28Å; L84-F89 HydrophobicContact CB-CZ 4.22Å; L84-F89 HydrophobicContact CD2-CZ 3.92Å; L84-L98 HydrophobicContact CD1-CD1 4.12Å; L84-L102 HydrophobicContact CD1-CD2 4.21Å; L84-P113 HydrophobicContact CB-CB 4.31Å
85S96.4Very high96.1Very high15 Ų1553.4 Ų53.411%0.10527%0.271CS..  trans-97.8130.9-174.7-620000111.2Q61 E111 E112 P113Q61-S85 WeakPolarHBondContact CB-O 3.34Å; S85-E111 PolarHBondContact OG-O 3.39Å; S85-E112 PolarHBondContact OG-O 3.29Å; S85-P113 VanDerWaalsContact OG-CA 3.31Å; S85-P113 WeakPolarHBondContact OG-CA 3.01Å
86P96.6Very high96.3Very high75 Ų7547 Ų4749%0.48725%0.25SC..SBendcis-85.3146.6-2.533.8-35000113.5D62 L84D62-P86 PolarHBondContact N-O 2.65Å; D62-P86 WeakPolarHBondContact OD1-CD 3.24Å; D62-P86 WeakPolarHBondContact OD1-CG 3.32Å; L84-P86 CarbonylContact O-C 3.56Å
87N98.4Very high96.4Very high15 Ų1548 Ų488%0.0825%0.253CS..  trans-150149.9163.9-95.2-79000109V60 N63 R64 L65 L84 F89V60-N87 PolarHBondContact O-ND2 3.4Å; N63-N87 WeakPolarHBondContact CA-OD1 3.43Å; N63-N87 WeakPolarHBondContact CB-OD1 3.29Å; N63-N87 PolarHBondContact O-OD1 2.85Å; R64-N87 PolarHBondContact N-OD1 2.94Å; L65-N87 HydrophobicContact CB-CB 4.25Å; L65-N87 VanDerWaalsContact CB-OD1 3.27Å; L65-N87 WeakPolarHBondContact CB-OD1 3.35Å; L65-N87 WeakPolarHBondContact CG-OD1 3.4Å; L65-N87 PolarHBondContact N-OD1 2.94Å; L84-N87 WeakPolarHBondContact O-CB 3.47Å; L84-N87 PolarHBondContact O-ND2 3.13Å; N87-F89 HydrophobicContact CB-CD2 3.96Å; N87-F89 HydrophobicContact CB-CE1 4.24Å; N87-F89 HydrophobicContact CB-CE2 3.46Å; N87-F89 VanDerWaalsContact CB-CE2 3.46Å; N87-F89 HydrophobicContact CB-CZ 3.61Å; N87-F89 PolarHBondContact O-N 3.03Å
88P98.1Very high96.6Very high46 Ų4643.5 Ų43.530%0.29922%0.216SC..  trans-81.259.2-174.535.3-38.4000112.9N63 L65 R90N63-P88 VanDerWaalsContact O-CD 3.3Å; N63-P88 WeakPolarHBondContact O-CD 3.44Å; L65-P88 CarbonylContact O-C 3.54Å; L65-P88 WeakPolarHBondContact O-CD 3.15Å; P88-R90 PolarHBondContact O-N 3.04Å
89F98.4Very high96.8Very high1 Ų140.3 Ų40.30%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-61.2134.5-174.3-68.4-65.6000113.3L65 T66 L84 N87 I95 L98 P113 S116 S117 I126L65-F89 HydrophobicContact CB-CE1 4.12Å; T66-F89 CarbonylContact O-C 3.46Å; T66-F89 WeakPolarHBondContact O-CA 3.46Å; L84-F89 HydrophobicContact CB-CE2 4.28Å; L84-F89 HydrophobicContact CB-CZ 4.22Å; L84-F89 HydrophobicContact CD2-CZ 3.92Å; N87-F89 HydrophobicContact CB-CD2 3.96Å; N87-F89 HydrophobicContact CB-CE1 4.24Å; N87-F89 HydrophobicContact CB-CE2 3.46Å; N87-F89 VanDerWaalsContact CB-CE2 3.46Å; N87-F89 HydrophobicContact CB-CZ 3.61Å; N87-F89 PolarHBondContact O-N 3.03Å; F89-I95 HydrophobicContact CB-CD1 4.09Å; F89-I95 HydrophobicContact CD1-CD1 3.92Å; F89-I95 HydrophobicContact CG-CD1 4.32Å; F89-L98 HydrophobicContact CD1-CD2 3.82Å; F89-L98 HydrophobicContact CE1-CD2 3.54Å; F89-L98 HydrophobicContact CG-CD2 4.46Å; F89-L98 HydrophobicContact CZ-CD2 3.94Å; F89-P113 HydrophobicContact CD2-CB 3.86Å; F89-P113 HydrophobicContact CE2-CB 3.58Å; F89-S116 PolarHBondContact O-N 3.49Å; F89-S117 PolarHBondContact O-N 2.8Å; F89-I126 HydrophobicContact CB-CD1 3.79Å; F89-I126 HydrophobicContact CD1-CD1 4.34Å; F89-I126 HydrophobicContact CD2-CD1 3.75Å; F89-I126 HydrophobicContact CE2-CD1 4.43Å; F89-I126 HydrophobicContact CG-CD1 3.69Å
90R98.1Very high96.8Very high131 Ų13146.9 Ų46.949%0.49422%0.222SC..EExtended strand (participates in β ladder)trans-98.8106.3173.7-174.7173.5-163.8-126.15.8109.1T66 P88 D92 S117T66-R90 PolarHBondContact O-N 3.21Å; P88-R90 PolarHBondContact O-N 3.04Å; R90-D92 WeakPolarHBondContact CD-OD2 3.43Å; R90-D92 HydrophobicContact CG-CB 4.25Å; R90-D92 WeakPolarHBondContact CG-OD2 3.25Å; R90-D92 IonicContact CZ-OD2 3.33Å; R90-D92 VanDerWaalsContact CZ-OD2 3.32Å; R90-D92 IonicContact NE-OD2 2.65Å; R90-D92 PolarHBondContact NE-OD2 3.45Å; R90-D92 IonicContact NH1-OD2 2.92Å; R90-D92 PolarHBondContact NH1-OD2 2.61Å; R90-D92 PolarHBondContact O-N 2.92Å; R90-S117 CarbonylContact C-O 3.05Å; R90-S117 WeakPolarHBondContact CA-O 3.34Å; R90-S117 WeakPolarHBondContact CG-OG 3.37Å
91C97.8Very high96.9Very high0 Ų038.8 Ų38.80%019%0.192CC..  trans-8165.2-179.7-66.70000111.8I95 C115 S117 V121 L129 Y133C91-I95 HydrophobicContact CB-CG2 4.43Å; C91-C115 HydrophobicContact CB-CB 3.86Å; C91-C115 WeakPolarHBondContact CB-SG 3.49Å; C91-C115 VanDerWaalsContact SG-CA 3.53Å; C91-C115 WeakPolarHBondContact SG-CB 3.3Å; C91-C115 CovalentContact SG-SG 2.02Å; C91-C115 PolarHBondContact SG-SG 3.45Å; C91-S117 PolarHBondContact N-O 3.26Å; C91-V121 HydrophobicContact CB-CG2 3.94Å; C91-L129 HydrophobicContact CB-CD1 3.64Å; C91-Y133 WeakPolarHBondContact O-CE1 3.37Å; C91-Y133 PolarHBondContact O-OH 3.21Å
92D95.2Very high96.9Very high27 Ų2734.5 Ų34.514%0.14417%0.173CC..SBendtrans-111.2-165.7168.967.419.1000110.4R90 S94 I95R90-D92 WeakPolarHBondContact CD-OD2 3.43Å; R90-D92 HydrophobicContact CG-CB 4.25Å; R90-D92 WeakPolarHBondContact CG-OD2 3.25Å; R90-D92 IonicContact CZ-OD2 3.33Å; R90-D92 VanDerWaalsContact CZ-OD2 3.32Å; R90-D92 IonicContact NE-OD2 2.65Å; R90-D92 PolarHBondContact NE-OD2 3.45Å; R90-D92 IonicContact NH1-OD2 2.92Å; R90-D92 PolarHBondContact NH1-OD2 2.61Å; R90-D92 PolarHBondContact O-N 2.92Å; D92-S94 PolarHBondContact O-N 2.91Å; D92-S94 VanDerWaalsContact O-N 3.14Å; D92-S94 WeakPolarHBondContact OD1-CA 3.2Å; D92-S94 VanDerWaalsContact OD1-CB 3.25Å; D92-S94 WeakPolarHBondContact OD1-CB 3.48Å; D92-S94 PolarHBondContact OD1-N 3.49Å; D92-S94 PolarHBondContact OD1-OG 2.63Å; D92-I95 WeakPolarHBondContact O-CG2 3.31Å; D92-I95 PolarHBondContact O-N 3.07Å
93C94.4Very high96.9Very high52 Ų5237.3 Ų37.335%0.35119%0.188SC..G310 helixtrans-59-23178.5-53.90000115I95 Q96 Y136 C137C93-I95 VanDerWaalsContact C-N 3.32Å; C93-Q96 WeakPolarHBondContact O-CG 3.48Å; C93-Y136 VanDerWaalsContact SG-CE2 3.52Å; C93-C137 WeakPolarHBondContact CA-SG 3.13Å; C93-C137 HydrophobicContact CB-CB 3.55Å; C93-C137 WeakPolarHBondContact CB-SG 3.41Å; C93-C137 WeakPolarHBondContact SG-CA 3.3Å; C93-C137 WeakPolarHBondContact SG-CB 3.36Å; C93-C137 CovalentContact SG-SG 2.03Å; C93-C137 PolarHBondContact SG-SG 2.76Å
94S94.1Very high96.8Very high54 Ų5443.8 Ų43.838%0.37822%0.215SC..G310 helixtrans-74.4-20.7176.474.80000113.2S67 D92 Q96S67-S94 WeakPolarHBondContact CB-OG 3.39Å; S67-S94 PolarHBondContact OG-OG 3.29Å; D92-S94 PolarHBondContact O-N 2.91Å; D92-S94 VanDerWaalsContact O-N 3.14Å; D92-S94 WeakPolarHBondContact OD1-CA 3.2Å; D92-S94 VanDerWaalsContact OD1-CB 3.25Å; D92-S94 WeakPolarHBondContact OD1-CB 3.48Å; D92-S94 PolarHBondContact OD1-N 3.49Å; D92-S94 PolarHBondContact OD1-OG 2.63Å; S94-Q96 VanDerWaalsContact C-N 3.27Å; S94-Q96 PolarHBondContact O-N 2.77Å
95I96.9Very high96.7Very high0 Ų045.8 Ų45.80%023%0.226CC..G310 helixtrans-75.6-14.6178.4-141.263.2000113.1F89 C91 D92 C93 Y97 L98 R99 I126 F134F89-I95 HydrophobicContact CB-CD1 4.09Å; F89-I95 HydrophobicContact CD1-CD1 3.92Å; F89-I95 HydrophobicContact CG-CD1 4.32Å; C91-I95 HydrophobicContact CB-CG2 4.43Å; D92-I95 WeakPolarHBondContact O-CG2 3.31Å; D92-I95 PolarHBondContact O-N 3.07Å; C93-I95 VanDerWaalsContact C-N 3.32Å; I95-Y97 VanDerWaalsContact C-N 3.3Å; I95-Y97 PolarHBondContact O-N 3.41Å; I95-L98 HydrophobicContact CD1-CB 4.45Å; I95-L98 HydrophobicContact CD1-CD2 3.95Å; I95-L98 HydrophobicContact CG1-CB 4.5Å; I95-L98 WeakPolarHBondContact O-CB 3.47Å; I95-L98 PolarHBondContact O-N 2.76Å; I95-R99 PolarHBondContact O-N 2.9Å; I95-I126 HydrophobicContact CD1-CD1 4.16Å; I95-I126 HydrophobicContact CG1-CD1 4.01Å; I95-I126 HydrophobicContact CG1-CG1 4.34Å; I95-I126 HydrophobicContact CG1-CG2 3.93Å; I95-I126 HydrophobicContact CG2-CG2 4.43Å; I95-F134 HydrophobicContact CG2-CE1 3.7Å; I95-F134 HydrophobicContact CG2-CZ 3.67Å
96Q95.6Very high96.6Very high72 Ų7251.7 Ų51.734%0.33625%0.245SC..Hα-helixtrans-54.2-42-171.1-75.5-171.9-22.600113.7C93 S94 R99 Y100 F134C93-Q96 WeakPolarHBondContact O-CG 3.48Å; S94-Q96 VanDerWaalsContact C-N 3.27Å; S94-Q96 PolarHBondContact O-N 2.77Å; Q96-R99 PolarHBondContact O-N 3.39Å; Q96-Y100 WeakPolarHBondContact O-CB 3.01Å; Q96-Y100 PolarHBondContact O-N 2.71Å; Q96-F134 HydrophobicContact CG-CD1 3.92Å; Q96-F134 HydrophobicContact CG-CE1 4.37Å; Q96-F134 HydrophobicContact CG-CG 4.32Å
97Y96Very high96.5Very high29 Ų2955.9 Ų55.911%0.11426%0.264CS..Hα-helixtrans-61.1-49176.3169.6-104.9000111.4V68 P69 P70 G71 F73 D74 I95 R99 Y100 W101V68-Y97 HydrophobicContact CB-CD1 4.49Å; V68-Y97 HydrophobicContact CG1-CD1 4.09Å; V68-Y97 HydrophobicContact CG1-CE1 3.86Å; V68-Y97 WeakPolarHBondContact O-CD1 3.19Å; P69-Y97 WeakPolarHBondContact O-CE1 3.45Å; P70-Y97 HydrophobicContact CB-CD2 4.28Å; P70-Y97 HydrophobicContact CB-CG 4.24Å; P70-Y97 HydrophobicContact CG-CG 4.47Å; G71-Y97 VanDerWaalsContact N-CE2 3.33Å; G71-Y97 VanDerWaalsContact N-CZ 3.29Å; F73-Y97 HydrophobicContact CD2-CE1 4.49Å; F73-Y97 PolarHBondContact N-OH 3.08Å; D74-Y97 VanDerWaalsContact CG-OH 3.26Å; D74-Y97 PolarHBondContact N-OH 3.15Å; D74-Y97 VanDerWaalsContact OD1-CE2 3.3Å; D74-Y97 WeakPolarHBondContact OD1-CE2 3.38Å; D74-Y97 PolarHBondContact OD1-OH 3.01Å; I95-Y97 VanDerWaalsContact C-N 3.3Å; I95-Y97 PolarHBondContact O-N 3.41Å; Y97-R99 PolarHBondContact O-N 2.79Å; Y97-Y100 PolarHBondContact O-N 3.14Å; Y97-W101 WeakPolarHBondContact O-CB 3.45Å; Y97-W101 PolarHBondContact O-N 3Å
98L97.6Very high96.3Very high0 Ų056.4 Ų56.40%027%0.267CS..Hα-helixtrans-61.2-46.6178.6-17858.8000110.7V68 F73 L84 F89 I95 Y100 W101 L102 I126V68-L98 HydrophobicContact CB-CB 4.34Å; V68-L98 HydrophobicContact CB-CD1 4.34Å; V68-L98 HydrophobicContact CG2-CD1 4.07Å; V68-L98 HydrophobicContact CG2-CD2 4.11Å; F73-L98 HydrophobicContact CE2-CD1 3.85Å; L84-L98 HydrophobicContact CD1-CD1 4.12Å; F89-L98 HydrophobicContact CD1-CD2 3.82Å; F89-L98 HydrophobicContact CE1-CD2 3.54Å; F89-L98 HydrophobicContact CG-CD2 4.46Å; F89-L98 HydrophobicContact CZ-CD2 3.94Å; I95-L98 HydrophobicContact CD1-CB 4.45Å; I95-L98 HydrophobicContact CD1-CD2 3.95Å; I95-L98 HydrophobicContact CG1-CB 4.5Å; I95-L98 WeakPolarHBondContact O-CB 3.47Å; I95-L98 PolarHBondContact O-N 2.76Å; L98-Y100 PolarHBondContact O-N 3.23Å; L98-W101 PolarHBondContact O-N 3.38Å; L98-L102 HydrophobicContact CD1-CD1 4.16Å; L98-L102 HydrophobicContact CD1-CD2 4.44Å; L98-L102 HydrophobicContact CD1-CG 4.07Å; L98-L102 HydrophobicContact CG-CD1 3.84Å; L98-L102 HydrophobicContact CG-CG 4.25Å; L98-L102 WeakPolarHBondContact O-CB 3.34Å; L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 3.34Å; L98-I126 HydrophobicContact CD2-CD1 3.87Å
99R97.4Very high96.3Very high21 Ų2155.5 Ų55.58%0.07926%0.261CS..Hα-helixtrans-55.2-51.1175.1177.4175.9168.6-89.82.3112.2I95 Q96 Y97 W101 L102 L103 I126 L129 D131I95-R99 PolarHBondContact O-N 2.9Å; Q96-R99 PolarHBondContact O-N 3.39Å; Y97-R99 PolarHBondContact O-N 2.79Å; R99-W101 VanDerWaalsContact C-N 3.32Å; R99-W101 PolarHBondContact O-N 3.21Å; R99-L102 PolarHBondContact O-N 2.82Å; R99-L103 HydrophobicContact CG-CD1 3.98Å; R99-L103 HydrophobicContact CG-CG 4.44Å; R99-L103 WeakPolarHBondContact O-CB 3.49Å; R99-L103 VanDerWaalsContact O-CG 3.29Å; R99-L103 WeakPolarHBondContact O-CG 3.44Å; R99-L103 PolarHBondContact O-N 3.01Å; R99-I126 HydrophobicContact CB-CG2 3.67Å; R99-I126 VanDerWaalsContact CD-O 3.3Å; R99-I126 WeakPolarHBondContact CD-O 3.27Å; R99-I126 HydrophobicContact CG-CG2 4.31Å; R99-I126 WeakPolarHBondContact CG-O 3.11Å; R99-L129 PolarHBondContact NE-O 3.38Å; R99-L129 PolarHBondContact NH2-O 3.2Å; R99-D131 IonicContact CZ-OD1 2.79Å; R99-D131 VanDerWaalsContact CZ-OD1 3.25Å; R99-D131 IonicContact NH1-OD1 2.7Å; R99-D131 PolarHBondContact NH1-OD1 3.18Å; R99-D131 VanDerWaalsContact NH2-CG 3.32Å; R99-D131 IonicContact NH2-OD1 3.49Å; R99-D131 PolarHBondContact NH2-OD1 2.75Å; R99-D131 IonicContact NH2-OD2 2.92Å; R99-D131 PolarHBondContact NH2-OD2 2.83Å
100Y96.6Very high96.1Very high155 Ų15557.9 Ų57.961%0.60828%0.278SS*.Hα-helixtrans-61.9-41.6179.5178.5-97.7000111.7Q96 Y97 L98 K104Q96-Y100 WeakPolarHBondContact O-CB 3.01Å; Q96-Y100 PolarHBondContact O-N 2.71Å; Y97-Y100 PolarHBondContact O-N 3.14Å; L98-Y100 PolarHBondContact O-N 3.23Å; Y100-K104 PolarHBondContact O-N 2.02Å
101W97.3Very high95.9Very high17 Ų1757.4 Ų57.46%0.06428%0.281CS..Hα-helixtrans-64.3-44.7176.6-173.194.6000111.9F73 L79 V82 Y97 L98 R99 K104 N105 V108 V109F73-W101 HydrophobicContact CB-CD2 4.26Å; F73-W101 HydrophobicContact CB-CG 4.34Å; F73-W101 HydrophobicContact CB-CZ2 4.26Å; F73-W101 AromaticContact CD2-CD2 3.67Å; F73-W101 HydrophobicContact CD2-CD2 3.67Å; F73-W101 AromaticContact CD2-CE2 3.87Å; F73-W101 AromaticContact CD2-CE3 3.92Å; F73-W101 HydrophobicContact CD2-CE3 3.92Å; F73-W101 HydrophobicContact CD2-CG 4.04Å; F73-W101 HydrophobicContact CD2-CZ2 4.35Å; F73-W101 HydrophobicContact CD2-CZ3 4.37Å; F73-W101 HydrophobicContact CE2-CD2 4.49Å; F73-W101 HydrophobicContact CE2-CE3 4.3Å; F73-W101 HydrophobicContact CG-CD2 4.39Å; F73-W101 HydrophobicContact CG-CZ2 4.49Å; L79-W101 HydrophobicContact CD2-CH2 4.43Å; L79-W101 HydrophobicContact CD2-CZ2 4.08Å; V82-W101 HydrophobicContact CB-CH2 4.46Å; V82-W101 HydrophobicContact CG2-CH2 3.87Å; Y97-W101 WeakPolarHBondContact O-CB 3.45Å; Y97-W101 PolarHBondContact O-N 3Å; L98-W101 PolarHBondContact O-N 3.38Å; R99-W101 VanDerWaalsContact C-N 3.32Å; R99-W101 PolarHBondContact O-N 3.21Å; W101-K104 PolarHBondContact O-N 2.99Å; W101-N105 HydrophobicContact CD2-CB 4.37Å; W101-N105 HydrophobicContact CE3-CB 4.43Å; W101-N105 HydrophobicContact CH2-CB 3.94Å; W101-N105 HydrophobicContact CZ2-CB 3.89Å; W101-N105 HydrophobicContact CZ3-CB 4.24Å; W101-N105 PolarHBondContact NE1-ND2 3.35Å; W101-N105 WeakPolarHBondContact O-CB 3.05Å; W101-N105 PolarHBondContact O-N 2.57Å; W101-N105 PolarHBondContact O-ND2 3.49Å; W101-V108 HydrophobicContact CH2-CG1 4.03Å; W101-V109 HydrophobicContact CH2-CG2 4.48Å; W101-V109 HydrophobicContact CZ3-CG2 3.89Å
102L97.4Very high95.7Very high3 Ų361.5 Ų61.52%0.01630%0.3CS..Hα-helixtrans-61.6-46.3176.5-68.5165.5000111.9L84 L98 R99 K104 N105 R106 V109 P113 I126 T127L84-L102 HydrophobicContact CD1-CD2 4.21Å; L98-L102 HydrophobicContact CD1-CD1 4.16Å; L98-L102 HydrophobicContact CD1-CD2 4.44Å; L98-L102 HydrophobicContact CD1-CG 4.07Å; L98-L102 HydrophobicContact CG-CD1 3.84Å; L98-L102 HydrophobicContact CG-CG 4.25Å; L98-L102 WeakPolarHBondContact O-CB 3.34Å; L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 3.34Å; R99-L102 PolarHBondContact O-N 2.82Å; L102-K104 PolarHBondContact O-N 2.67Å; L102-N105 PolarHBondContact O-N 2.03Å; L102-R106 WeakPolarHBondContact O-CG 3.37Å; L102-R106 PolarHBondContact O-N 2.87Å; L102-V109 HydrophobicContact CD2-CG1 4.24Å; L102-V109 HydrophobicContact CD2-CG2 3.61Å; L102-P113 HydrophobicContact CD1-CG 3.38Å; L102-P113 HydrophobicContact CD2-CG 3.81Å; L102-P113 HydrophobicContact CG-CG 4.25Å; L102-I126 HydrophobicContact CD1-CB 3.99Å; L102-I126 HydrophobicContact CD1-CD1 4.46Å; L102-I126 HydrophobicContact CD1-CG2 3.85Å; L102-T127 HydrophobicContact CB-CG2 3.69Å; L102-T127 HydrophobicContact CD1-CG2 4.38Å
103L96.3Very high95.8Very high59 Ų5960.2 Ų60.231%0.30929%0.294SS..Hα-helixtrans-59-31.9178.3-74.3173.3000112.6R99 T127R99-L103 HydrophobicContact CG-CD1 3.98Å; R99-L103 HydrophobicContact CG-CG 4.44Å; R99-L103 WeakPolarHBondContact O-CB 3.49Å; R99-L103 VanDerWaalsContact O-CG 3.29Å; R99-L103 WeakPolarHBondContact O-CG 3.44Å; R99-L103 PolarHBondContact O-N 3.01Å; L103-T127 HydrophobicContact CD2-CG2 3.92Å; L103-T127 HydrophobicContact CG-CG2 4.18Å
104K95.8Very high96Very high148 Ų14861.1 Ų61.164%0.64329%0.294SS*.Hα-helixtrans-85.3-27.7178.8-177.2176.8176.6-175.80114.1Y100 W101 L102Y100-K104 PolarHBondContact O-N 2.02Å; W101-K104 PolarHBondContact O-N 2.99Å; L102-K104 PolarHBondContact O-N 2.67Å
105N96.3Very high96.2Very high42 Ų4258.6 Ų58.623%0.22528%0.277CS..  trans-121.936.3-169.9-57.4-85.1000112.6W101 L102 D107 V108W101-N105 HydrophobicContact CD2-CB 4.37Å; W101-N105 HydrophobicContact CE3-CB 4.43Å; W101-N105 HydrophobicContact CH2-CB 3.94Å; W101-N105 HydrophobicContact CZ2-CB 3.89Å; W101-N105 HydrophobicContact CZ3-CB 4.24Å; W101-N105 PolarHBondContact NE1-ND2 3.35Å; W101-N105 WeakPolarHBondContact O-CB 3.05Å; W101-N105 PolarHBondContact O-N 2.57Å; W101-N105 PolarHBondContact O-ND2 3.49Å; L102-N105 PolarHBondContact O-N 2.03Å; N105-D107 VanDerWaalsContact C-N 3.29Å; N105-D107 PolarHBondContact O-N 3.44Å; N105-V108 HydrophobicContact CB-CB 4.31Å; N105-V108 HydrophobicContact CB-CG2 4.4Å; N105-V108 WeakPolarHBondContact O-CB 3.33Å; N105-V108 PolarHBondContact O-N 3.2Å
106R93.8Very high96.3Very high138 Ų13861.6 Ų61.652%0.52130%0.298SS..G310 helixtrans-50.7-45.1-174.6-68.2-176.7177.1-122.10.2113.2L102 V108 V109L102-R106 WeakPolarHBondContact O-CG 3.37Å; L102-R106 PolarHBondContact O-N 2.87Å; R106-V108 PolarHBondContact O-N 2.95Å; R106-V108 VanDerWaalsContact O-N 3.15Å; R106-V109 PolarHBondContact O-N 3.34Å; R106-V109 VanDerWaalsContact O-N 3.08Å
107D94.4Very high96.4Very high164 Ų16460 Ų6088%0.87730%0.295SS*.G310 helixtrans-67.7-13.3-177.4-46.7-68.7000114.4N105N105-D107 VanDerWaalsContact C-N 3.29Å; N105-D107 PolarHBondContact O-N 3.44Å
108V95.6Very high96.5Very high25 Ų2560.9 Ų60.915%0.15230%0.304CS..G310 helixtrans-89.4-16.8177.3175.40000111.3L79 K81 V82 W101 N105 R106L79-V108 HydrophobicContact CG-CG1 4.21Å; K81-V108 CarbonylContact C-O 3.56Å; K81-V108 WeakPolarHBondContact CA-O 3.05Å; V82-V108 HydrophobicContact CB-CG1 4.46Å; V82-V108 HydrophobicContact CG2-CG1 3.89Å; V82-V108 PolarHBondContact N-O 3.03Å; W101-V108 HydrophobicContact CH2-CG1 4.03Å; N105-V108 HydrophobicContact CB-CB 4.31Å; N105-V108 HydrophobicContact CB-CG2 4.4Å; N105-V108 WeakPolarHBondContact O-CB 3.33Å; N105-V108 PolarHBondContact O-N 3.2Å; R106-V108 PolarHBondContact O-N 2.95Å; R106-V108 VanDerWaalsContact O-N 3.15Å
109V96.3Very high96.4Very high28 Ų2864.2 Ų64.217%0.1734%0.338CS..BIsolated β-bridgetrans-92124-173.2179.10000110.1W101 L102 R106 E111W101-V109 HydrophobicContact CH2-CG2 4.48Å; W101-V109 HydrophobicContact CZ3-CG2 3.89Å; L102-V109 HydrophobicContact CD2-CG1 4.24Å; L102-V109 HydrophobicContact CD2-CG2 3.61Å; R106-V109 PolarHBondContact O-N 3.34Å; R106-V109 VanDerWaalsContact O-N 3.08Å; V109-E111 WeakPolarHBondContact CG1-O 2.98Å
110S94.4Very high96.4Very high50 Ų5068 Ų6835%0.3537%0.368SS..SBendtrans-73.2-38.7-176.2-51.10000113.1K81 V82K81-S110 WeakPolarHBondContact CE-OG 3.26Å; K81-S110 WeakPolarHBondContact CG-OG 3.37Å; V82-S110 VanDerWaalsContact O-CB 3.32Å; V82-S110 WeakPolarHBondContact O-CB 3.14Å; V82-S110 PolarHBondContact O-N 2.58Å; V82-S110 PolarHBondContact O-OG 3.45Å
111E94.6Very high96.4Very high122 Ų12261.1 Ų61.157%0.5734%0.342SS*.SBendtrans-147138.6179.6-71-177.7-169.300107.9S85 V109S85-E111 PolarHBondContact OG-O 3.39Å; V109-E111 WeakPolarHBondContact CG1-O 2.98Å
112E94.7Very high96.4Very high86 Ų8662 Ų6240%0.40235%0.353SS..PPolyproline II helixtrans-74.3126.5-173.8-161.4156.6-142.300110.9S85 A125 T127S85-E112 PolarHBondContact OG-O 3.29Å; E112-A125 HydrophobicContact CG-CB 3.99Å; E112-T127 WeakPolarHBondContact OE1-CB 3.41Å; E112-T127 WeakPolarHBondContact OE1-CG2 3Å; E112-T127 PolarHBondContact OE1-OG1 2.83Å
113P97.1Very high96.4Very high0 Ų068.6 Ų68.60%038%0.384CS..PPolyproline II helixtrans-75.9131.4-176.528.9-34.4000111.8L84 S85 F89 L102 I126L84-P113 HydrophobicContact CB-CB 4.31Å; S85-P113 VanDerWaalsContact OG-CA 3.31Å; S85-P113 WeakPolarHBondContact OG-CA 3.01Å; F89-P113 HydrophobicContact CD2-CB 3.86Å; F89-P113 HydrophobicContact CE2-CB 3.58Å; L102-P113 HydrophobicContact CD1-CG 3.38Å; L102-P113 HydrophobicContact CD2-CG 3.81Å; L102-P113 HydrophobicContact CG-CG 4.25Å; P113-I126 HydrophobicContact CB-CD1 3.89Å; P113-I126 HydrophobicContact CG-CD1 3.97Å; P113-I126 WeakPolarHBondContact O-CG1 3.25Å; P113-I126 PolarHBondContact O-N 3.33Å
114L98Very high96.5Very high71 Ų7169.1 Ų69.137%0.37239%0.387SS..BIsolated β-bridgetrans-96149.4-179.5-52.1-175.9000111.8N124 A125L114-N124 CarbonylContact C-O 3.22Å; L114-N124 WeakPolarHBondContact CA-O 3.4Å; L114-A125 HydrophobicContact CD2-CB 4.19Å
115C98.4Very high96.6Very high1 Ų162.3 Ų62.31%0.00736%0.358CS..EExtended strand (participates in β ladder)trans-69.7130.1169.9-63.60000111C91 V121 A122 Q123 N124C91-C115 HydrophobicContact CB-CB 3.86Å; C91-C115 WeakPolarHBondContact CB-SG 3.49Å; C91-C115 VanDerWaalsContact SG-CA 3.53Å; C91-C115 WeakPolarHBondContact SG-CB 3.3Å; C91-C115 CovalentContact SG-SG 2.02Å; C91-C115 PolarHBondContact SG-SG 3.45Å; C115-V121 HydrophobicContact CB-CG2 4.3Å; C115-V121 WeakPolarHBondContact CB-O 3.4Å; C115-A122 CarbonylContact O-C 3.44Å; C115-A122 WeakPolarHBondContact O-CA 3.29Å; C115-Q123 PolarHBondContact O-N 3.2Å; C115-N124 PolarHBondContact N-O 3.25Å
116S98.4Very high96.6Very high63 Ų6360.3 Ų60.344%0.44135%0.347SS..EExtended strand (participates in β ladder)trans-95-27.6169.7177.80000112.3F89F89-S116 PolarHBondContact O-N 3.49Å
117S97.8Very high96.8Very high39 Ų3954.2 Ų54.227%0.27333%0.326SS..EExtended strand (participates in β ladder)trans-152.5162.2176.863.20000111.2F89 R90 C91F89-S117 PolarHBondContact O-N 2.8Å; R90-S117 CarbonylContact C-O 3.05Å; R90-S117 WeakPolarHBondContact CA-O 3.34Å; R90-S117 WeakPolarHBondContact CG-OG 3.37Å; C91-S117 PolarHBondContact N-O 3.26Å
118P97.3Very high96.9Very high46 Ų4651.8 Ų51.830%0.29931%0.313SS..SBendcis-65.2160.1-9.329.6-34.6000112.2S120 V121 A122 Y133P118-S120 PolarHBondContact O-N 2.76Å; P118-V121 HydrophobicContact CG-CG2 4.04Å; P118-V121 WeakPolarHBondContact O-CG2 3.17Å; P118-V121 PolarHBondContact O-N 3.22Å; P118-A122 PolarHBondContact O-N 3Å; P118-Y133 WeakPolarHBondContact CG-OH 3.44Å
119G97.1Very high96.9Very high71 Ų7151.1 Ų51.173%0.73231%0.308SS*.G310 helixtrans-59.4-20.8-173.300000115.2V121G119-V121 PolarHBondContact O-N 3.22Å
120S96.5Very high96.9Very high100 Ų10053 Ų5370%0.69932%0.322SS*.G310 helixtrans-68.5-14.2174.753.30000114.8P118P118-S120 PolarHBondContact O-N 2.76Å
121V97.1Very high96.8Very high11 Ų1156 Ų567%0.06733%0.334CS..G310 helixtrans-133.917.2177.5-62.20000112.1C91 C115 P118 G119 N124 L129 Y133C91-V121 HydrophobicContact CB-CG2 3.94Å; C115-V121 HydrophobicContact CB-CG2 4.3Å; C115-V121 WeakPolarHBondContact CB-O 3.4Å; P118-V121 HydrophobicContact CG-CG2 4.04Å; P118-V121 WeakPolarHBondContact O-CG2 3.17Å; P118-V121 PolarHBondContact O-N 3.22Å; G119-V121 PolarHBondContact O-N 3.22Å; V121-N124 VanDerWaalsContact C-OD1 3.28Å; V121-N124 WeakPolarHBondContact CA-OD1 3.4Å; V121-N124 WeakPolarHBondContact O-CB 3.46Å; V121-N124 PolarHBondContact O-N 2.92Å; V121-N124 PolarHBondContact O-OD1 3.03Å; V121-L129 HydrophobicContact CB-CD2 3.98Å; V121-L129 HydrophobicContact CG1-CD2 3.77Å; V121-Y133 HydrophobicContact CG1-CD2 4.28Å; V121-Y133 HydrophobicContact CG1-CE2 3.67Å
122A97.6Very high96.7Very high36 Ų3653.5 Ų53.530%0.29834%0.335SS..THydrogen-bonded Turntrans-68139.7-179.300000110.9C115 P118 N124C115-A122 CarbonylContact O-C 3.44Å; C115-A122 WeakPolarHBondContact O-CA 3.29Å; P118-A122 PolarHBondContact O-N 3Å; A122-N124 PolarHBondContact O-N 3.27Å
123Q96.9Very high96.7Very high141 Ų14151.9 Ų51.966%0.65933%0.326SS*.THydrogen-bonded Turntrans68.4-1.5-171.3-48.3-58.9-34.500116.2C115C115-Q123 PolarHBondContact O-N 3.2Å
124N97.6Very high96.6Very high69 Ų6952.2 Ų52.237%0.36933%0.327SS..SBendtrans-70148164.4-67.489.2000110.7L114 C115 V121 A122 L129L114-N124 CarbonylContact C-O 3.22Å; L114-N124 WeakPolarHBondContact CA-O 3.4Å; C115-N124 PolarHBondContact N-O 3.25Å; V121-N124 VanDerWaalsContact C-OD1 3.28Å; V121-N124 WeakPolarHBondContact CA-OD1 3.4Å; V121-N124 WeakPolarHBondContact O-CB 3.46Å; V121-N124 PolarHBondContact O-N 2.92Å; V121-N124 PolarHBondContact O-OD1 3.03Å; A122-N124 PolarHBondContact O-N 3.27Å; N124-L129 HydrophobicContact CB-CD2 4.35Å
125A97.9Very high96.3Very high5 Ų552.4 Ų52.44%0.04133%0.334CS..BIsolated β-bridgetrans-66.2144.1167.600000110.8E112 L114 T127 D128E112-A125 HydrophobicContact CG-CB 3.99Å; L114-A125 HydrophobicContact CD2-CB 4.19Å; A125-T127 WeakPolarHBondContact CB-OG1 3.45Å; A125-T127 PolarHBondContact O-N 3.34Å; A125-D128 HydrophobicContact CB-CB 4.3Å; A125-D128 PolarHBondContact O-N 3.34Å
126I97.9Very high95.8Very high0 Ų057.4 Ų57.40%035%0.354CS..THydrogen-bonded Turntrans-59.3-29.8177.6-68.7174.1000111.5F89 I95 L98 R99 L102 P113F89-I126 HydrophobicContact CB-CD1 3.79Å; F89-I126 HydrophobicContact CD1-CD1 4.34Å; F89-I126 HydrophobicContact CD2-CD1 3.75Å; F89-I126 HydrophobicContact CE2-CD1 4.43Å; F89-I126 HydrophobicContact CG-CD1 3.69Å; I95-I126 HydrophobicContact CD1-CD1 4.16Å; I95-I126 HydrophobicContact CG1-CD1 4.01Å; I95-I126 HydrophobicContact CG1-CG1 4.34Å; I95-I126 HydrophobicContact CG1-CG2 3.93Å; I95-I126 HydrophobicContact CG2-CG2 4.43Å; L98-I126 HydrophobicContact CD2-CD1 3.87Å; R99-I126 HydrophobicContact CB-CG2 3.67Å; R99-I126 VanDerWaalsContact CD-O 3.3Å; R99-I126 WeakPolarHBondContact CD-O 3.27Å; R99-I126 HydrophobicContact CG-CG2 4.31Å; R99-I126 WeakPolarHBondContact CG-O 3.11Å; L102-I126 HydrophobicContact CD1-CB 3.99Å; L102-I126 HydrophobicContact CD1-CD1 4.46Å; L102-I126 HydrophobicContact CD1-CG2 3.85Å; P113-I126 HydrophobicContact CB-CD1 3.89Å; P113-I126 HydrophobicContact CG-CD1 3.97Å; P113-I126 WeakPolarHBondContact O-CG1 3.25Å; P113-I126 PolarHBondContact O-N 3.33Å
127T96.9Very high95.2Very high10 Ų1055.5 Ų55.56%0.06134%0.34CS..THydrogen-bonded Turntrans-76.1-33.5179.444.40000113.9L102 L103 E112 A125 L129L102-T127 HydrophobicContact CB-CG2 3.69Å; L102-T127 HydrophobicContact CD1-CG2 4.38Å; L103-T127 HydrophobicContact CD2-CG2 3.92Å; L103-T127 HydrophobicContact CG-CG2 4.18Å; E112-T127 WeakPolarHBondContact OE1-CB 3.41Å; E112-T127 WeakPolarHBondContact OE1-CG2 3Å; E112-T127 PolarHBondContact OE1-OG1 2.83Å; A125-T127 WeakPolarHBondContact CB-OG1 3.45Å; A125-T127 PolarHBondContact O-N 3.34Å; T127-L129 VanDerWaalsContact C-N 3.25Å; T127-L129 PolarHBondContact O-N 3.29Å
128D97.1Very high94Very high113 Ų11359.1 Ų59.160%0.60436%0.361SS*.THydrogen-bonded Turntrans-68.4-23.3-179.9-76.1-22.9000113.2A125 S130A125-D128 HydrophobicContact CB-CB 4.3Å; A125-D128 PolarHBondContact O-N 3.34Å; D128-S130 PolarHBondContact O-N 3.21Å
129L96.3Very high92.3Very high12 Ų1264.7 Ų64.76%0.06338%0.38CS..SBendtrans-63.5124.8178.7-61.8-176.6000110.2C91 R99 V121 N124 T127 Y133 F134C91-L129 HydrophobicContact CB-CD1 3.64Å; R99-L129 PolarHBondContact NE-O 3.38Å; R99-L129 PolarHBondContact NH2-O 3.2Å; V121-L129 HydrophobicContact CB-CD2 3.98Å; V121-L129 HydrophobicContact CG1-CD2 3.77Å; N124-L129 HydrophobicContact CB-CD2 4.35Å; T127-L129 VanDerWaalsContact C-N 3.25Å; T127-L129 PolarHBondContact O-N 3.29Å; L129-Y133 HydrophobicContact CB-CD1 4.35Å; L129-Y133 HydrophobicContact CD1-CD1 4.14Å; L129-Y133 HydrophobicContact CD1-CE1 3.96Å; L129-F134 HydrophobicContact CB-CE2 3.58Å; L129-F134 HydrophobicContact CB-CZ 4.02Å; L129-F134 HydrophobicContact CD1-CE2 4.25Å; L129-F134 HydrophobicContact CD1-CZ 3.8Å
130S95.2Very high90.3Very high66 Ų6666.2 Ų66.246%0.46238%0.378SS..  trans-74.8156.3-178.266.80000112.2D128 A132 Y133 F134D128-S130 PolarHBondContact O-N 3.21Å; S130-A132 PolarHBondContact O-N 3.32Å; S130-Y133 WeakPolarHBondContact O-CB 3.42Å; S130-Y133 PolarHBondContact O-N 2.96Å; S130-Y133 PolarHBondContact OG-N 3.36Å; S130-F134 WeakPolarHBondContact O-CD2 3.34Å
131D92.9Very high88.2Confident113 Ų11370.3 Ų70.360%0.60439%0.391SS*.THydrogen-bonded Turntrans-62.9-23.9176-55.7-70.2000112.3R99 F134 S135R99-D131 IonicContact CZ-OD1 2.79Å; R99-D131 VanDerWaalsContact CZ-OD1 3.25Å; R99-D131 IonicContact NH1-OD1 2.7Å; R99-D131 PolarHBondContact NH1-OD1 3.18Å; R99-D131 VanDerWaalsContact NH2-CG 3.32Å; R99-D131 IonicContact NH2-OD1 3.49Å; R99-D131 PolarHBondContact NH2-OD1 2.75Å; R99-D131 IonicContact NH2-OD2 2.92Å; R99-D131 PolarHBondContact NH2-OD2 2.83Å; D131-F134 CarbonylContact O-C 3.5Å; D131-F134 PolarHBondContact O-N 3.18Å; D131-F134 VanDerWaalsContact O-N 3.1Å; D131-S135 PolarHBondContact O-N 2.81Å; D131-S135 VanDerWaalsContact O-N 3.14Å
132A92.5Very high85.6Confident70 Ų7075.1 Ų75.158%0.57942%0.42SS*.THydrogen-bonded Turntrans-64.3-36.5171.800000112.8S130 F134 S135S130-A132 PolarHBondContact O-N 3.32Å; A132-F134 PolarHBondContact O-N 3.31Å; A132-S135 VanDerWaalsContact O-CB 3.29Å; A132-S135 WeakPolarHBondContact O-CB 3.4Å; A132-S135 PolarHBondContact O-N 2.79Å; A132-S135 PolarHBondContact O-OG 3.33Å
133Y94.4Very high82.9Confident53 Ų5381.3 Ų81.321%0.20844%0.442CS..THydrogen-bonded Turntrans-61.3-30.2171.6173.9-94.4000111.6C91 P118 V121 L129 S130 Y136C91-Y133 WeakPolarHBondContact O-CE1 3.37Å; C91-Y133 PolarHBondContact O-OH 3.21Å; P118-Y133 WeakPolarHBondContact CG-OH 3.44Å; V121-Y133 HydrophobicContact CG1-CD2 4.28Å; V121-Y133 HydrophobicContact CG1-CE2 3.67Å; L129-Y133 HydrophobicContact CB-CD1 4.35Å; L129-Y133 HydrophobicContact CD1-CD1 4.14Å; L129-Y133 HydrophobicContact CD1-CE1 3.96Å; S130-Y133 WeakPolarHBondContact O-CB 3.42Å; S130-Y133 PolarHBondContact O-N 2.96Å; S130-Y133 PolarHBondContact OG-N 3.36Å; Y133-Y136 WeakPolarHBondContact O-CD1 3.47Å; Y133-Y136 WeakPolarHBondContact O-CE1 3.12Å
134F94.2Very high80.4Confident6 Ų683.6 Ų83.63%0.02645%0.453CS..THydrogen-bonded Turntrans-94.15.2178.8-66-70.2000114.6I95 Q96 L129 S130 D131 A132 Y136 C137I95-F134 HydrophobicContact CG2-CE1 3.7Å; I95-F134 HydrophobicContact CG2-CZ 3.67Å; Q96-F134 HydrophobicContact CG-CD1 3.92Å; Q96-F134 HydrophobicContact CG-CE1 4.37Å; Q96-F134 HydrophobicContact CG-CG 4.32Å; L129-F134 HydrophobicContact CB-CE2 3.58Å; L129-F134 HydrophobicContact CB-CZ 4.02Å; L129-F134 HydrophobicContact CD1-CE2 4.25Å; L129-F134 HydrophobicContact CD1-CZ 3.8Å; S130-F134 WeakPolarHBondContact O-CD2 3.34Å; D131-F134 CarbonylContact O-C 3.5Å; D131-F134 PolarHBondContact O-N 3.18Å; D131-F134 VanDerWaalsContact O-N 3.1Å; A132-F134 PolarHBondContact O-N 3.31Å; F134-Y136 VanDerWaalsContact C-N 3.26Å; F134-Y136 PolarHBondContact O-N 3.1Å; F134-C137 VanDerWaalsContact O-CB 3.26Å; F134-C137 WeakPolarHBondContact O-CB 3.26Å; F134-C137 PolarHBondContact O-N 2.8Å
135S92.1Very high77.6Confident75 Ų7585.4 Ų85.452%0.52447%0.466SS..G310 helixtrans-55.5-36.9-175.1540000114D131 A132 C137 T138D131-S135 PolarHBondContact O-N 2.81Å; D131-S135 VanDerWaalsContact O-N 3.14Å; A132-S135 VanDerWaalsContact O-CB 3.29Å; A132-S135 WeakPolarHBondContact O-CB 3.4Å; A132-S135 PolarHBondContact O-N 2.79Å; A132-S135 PolarHBondContact O-OG 3.33Å; S135-C137 VanDerWaalsContact C-N 3.27Å; S135-C137 PolarHBondContact O-N 3.34Å; S135-T138 PolarHBondContact O-OG1 3.12Å
136Y87.3Confident75Confident106 Ų10689.6 Ų89.642%0.41650%0.496SS..G310 helixtrans-74.1-10.6178.264.9-97.1000114.4C93 Y133 F134 T138 F139C93-Y136 VanDerWaalsContact SG-CE2 3.52Å; Y133-Y136 WeakPolarHBondContact O-CD1 3.47Å; Y133-Y136 WeakPolarHBondContact O-CE1 3.12Å; F134-Y136 VanDerWaalsContact C-N 3.26Å; F134-Y136 PolarHBondContact O-N 3.1Å; Y136-T138 PolarHBondContact O-N 2.92Å; Y136-F139 WeakPolarHBondContact O-CD2 2.98Å
137C87Confident72.7Confident24 Ų2496.2 Ų96.216%0.16254%0.536CS..G310 helixtrans-79.3-2.9-178.8-63.80000113.9C93 F134 S135C93-C137 WeakPolarHBondContact CA-SG 3.13Å; C93-C137 HydrophobicContact CB-CB 3.55Å; C93-C137 WeakPolarHBondContact CB-SG 3.41Å; C93-C137 WeakPolarHBondContact SG-CA 3.3Å; C93-C137 WeakPolarHBondContact SG-CB 3.36Å; C93-C137 CovalentContact SG-SG 2.03Å; C93-C137 PolarHBondContact SG-SG 2.76Å; F134-C137 VanDerWaalsContact O-CB 3.26Å; F134-C137 WeakPolarHBondContact O-CB 3.26Å; F134-C137 PolarHBondContact O-N 2.8Å; S135-C137 VanDerWaalsContact C-N 3.27Å; S135-C137 PolarHBondContact O-N 3.34Å
138T72.4Confident70.8Confident114 Ų11498.9 Ų98.970%0.69956%0.555SS**G310 helixtrans-89-4176.257.60000113.4S135 Y136S135-T138 PolarHBondContact O-OG1 3.12Å; Y136-T138 PolarHBondContact O-N 2.92Å
139F61.3Low68.8Low163 Ų16395.9 Ų95.972%0.71555%0.551SS**SBendtrans-65123.4169.9-68.1-56.8000109.8Y136Y136-F139 WeakPolarHBondContact O-CD2 2.98Å
140P55.6Low67.1Low104 Ų104100.3 Ų100.368%0.67558%0.582SS**  trans-68.7154.6-170.927-35.1000112.2V142P140-V142 HydrophobicContact CG-CG2 4.38Å; P140-V142 PolarHBondContact O-N 2.96Å
141L51.3Low65.6Low186 Ų186101.7 Ų101.797%0.97459%0.587SS**  trans-67.866.6169.4-72.8168.3000111.6H143L141-H143 PolarHBondContact O-N 2.7Å
142V42.8Very low64.4Low111 Ų111103.7 Ų103.767%0.67359%0.587SS**  trans-70.4119.1157.4178.90000106.9P140P140-V142 HydrophobicContact CG-CG2 4.38Å; P140-V142 PolarHBondContact O-N 2.96Å
143H40.9Very low63.1Low166 Ų166104.7 Ų104.777%0.76959%0.586SS**  trans-47.9144.3176.3-155.8-83000111.5L141 T145L141-H143 PolarHBondContact O-N 2.7Å; H143-T145 PolarHBondContact O-N 3.05Å; H143-T145 PolarHBondContact O-OG1 2.89Å
144Q44.4Very low62.1Low190 Ų190105.1 Ų105.189%0.88860%0.597SS**SBendtrans-51.994-173.1-71.1177.3-25.800113.3
145T38.2Very low61.6Low106 Ų106112.4 Ų112.465%0.6563%0.625SS**  trans-132.357.9173.250.50000110.8H143 T147H143-T145 PolarHBondContact O-N 3.05Å; H143-T145 PolarHBondContact O-OG1 2.89Å; T145-T147 PolarHBondContact O-N 3.01Å
146S45Very low61Low94 Ų94112 Ų11266%0.65762%0.617SS**THydrogen-bonded Turntrans11.698.8157.8-172.10000116.6S148S146-S148 VanDerWaalsContact O-CB 3.26Å; S146-S148 WeakPolarHBondContact O-CB 3.49Å; S146-S148 PolarHBondContact O-N 3.48Å
147T48.2Very low60.8Low139 Ų139110.7 Ų110.785%0.85362%0.62SS**THydrogen-bonded Turntrans51.42.9148.246.80000120.1T145T145-T147 PolarHBondContact O-N 3.01Å
148S57.8Low60.9Low65 Ų65114.8 Ų114.846%0.45564%0.639SS.*THydrogen-bonded Turntrans-118.3-13.9-162.5-164.10000114.1S146 C150 V151 Y152S146-S148 VanDerWaalsContact O-CB 3.26Å; S146-S148 WeakPolarHBondContact O-CB 3.49Å; S146-S148 PolarHBondContact O-N 3.48Å; S148-C150 PolarHBondContact O-N 3.28Å; S148-V151 PolarHBondContact O-N 2.85Å; S148-V151 VanDerWaalsContact O-N 3.12Å; S148-Y152 VanDerWaalsContact O-CB 3.26Å; S148-Y152 WeakPolarHBondContact O-CB 3.3Å; S148-Y152 PolarHBondContact O-N 3.17Å
149G55.5Low61.8Low50 Ų50111.2 Ų111.252%0.51562%0.622SS.*Hα-helixtrans-52.6-51.6-179.700000113.6V151 V153G149-V151 PolarHBondContact O-N 3.14Å; G149-V153 WeakPolarHBondContact O-CG2 3.29Å; G149-V153 PolarHBondContact O-N 3.46Å
150C59.8Low63.2Low105 Ų105106.7 Ų106.771%0.70961%0.61SS**Hα-helixtrans-65.8-36.7178.5-560000112.9S148 S154S148-C150 PolarHBondContact O-N 3.28Å; C150-S154 WeakPolarHBondContact O-CB 3.39Å; C150-S154 PolarHBondContact O-N 2.71Å; C150-S154 PolarHBondContact O-OG 3.2Å
151V64.1Low65.1Low96 Ų96105.9 Ų105.958%0.58260%0.603SS**Hα-helixtrans-72-42-179.1-176.70000110.6S148 G149 S154 Y155S148-V151 PolarHBondContact O-N 2.85Å; S148-V151 VanDerWaalsContact O-N 3.12Å; G149-V151 PolarHBondContact O-N 3.14Å; V151-S154 PolarHBondContact O-N 3.46Å; V151-Y155 WeakPolarHBondContact O-CB 3.35Å; V151-Y155 PolarHBondContact O-N 3.01Å
152Y67.1Low67.1Low155 Ų155102.3 Ų102.361%0.60858%0.583SS**Hα-helixtrans-65.2-41.8176.5-176-107.8000112.2S148 Y155 N156S148-Y152 VanDerWaalsContact O-CB 3.26Å; S148-Y152 WeakPolarHBondContact O-CB 3.3Å; S148-Y152 PolarHBondContact O-N 3.17Å; Y152-Y155 PolarHBondContact O-N 2.83Å; Y152-N156 WeakPolarHBondContact CD1-ND2 3.26Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.42Å; Y152-N156 VanDerWaalsContact CE1-ND2 3.25Å; Y152-N156 WeakPolarHBondContact CE1-ND2 3.33Å; Y152-N156 VanDerWaalsContact CE2-ND2 3.27Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.28Å; Y152-N156 WeakPolarHBondContact O-CB 3.42Å; Y152-N156 PolarHBondContact O-N 3.33Å; Y152-N156 PolarHBondContact O-ND2 3.01Å
153V66.5Low69.7Low91 Ų91102 Ų10255%0.55258%0.577SS**Hα-helixtrans-63.9-44173.1171.70000110.9G149 T157G149-V153 WeakPolarHBondContact O-CG2 3.29Å; G149-V153 PolarHBondContact O-N 3.46Å; V153-T157 WeakPolarHBondContact O-CB 3.32Å; V153-T157 WeakPolarHBondContact O-CG2 3.35Å; V153-T157 PolarHBondContact O-N 2.93Å; V153-T157 PolarHBondContact O-OG1 3.42Å
154S72.8Confident72.3Confident62 Ų6297 Ų9743%0.43456%0.56SS.*Hα-helixtrans-61.7-45.1176-58.90000112.4C150 V151 T157 I158C150-S154 WeakPolarHBondContact O-CB 3.39Å; C150-S154 PolarHBondContact O-N 2.71Å; C150-S154 PolarHBondContact O-OG 3.2Å; V151-S154 PolarHBondContact O-N 3.46Å; S154-T157 WeakPolarHBondContact CA-OG1 3.43Å; S154-T157 PolarHBondContact O-OG1 2.76Å; S154-I158 WeakPolarHBondContact O-CB 3.4Å; S154-I158 WeakPolarHBondContact O-CD1 3.3Å; S154-I158 VanDerWaalsContact O-CG1 3.22Å; S154-I158 WeakPolarHBondContact O-CG1 3.37Å; S154-I158 PolarHBondContact O-N 2.85Å
155Y82.8Confident74.8Confident159 Ų15990.9 Ų90.962%0.62454%0.537SS*.Hα-helixtrans-62.8-49.3178.5178.6-97.7000112.1V151 Y152 T157 I158 A159V151-Y155 WeakPolarHBondContact O-CB 3.35Å; V151-Y155 PolarHBondContact O-N 3.01Å; Y152-Y155 PolarHBondContact O-N 2.83Å; Y155-T157 PolarHBondContact O-N 3.26Å; Y155-I158 PolarHBondContact O-N 3.35Å; Y155-A159 VanDerWaalsContact O-CB 3.3Å; Y155-A159 WeakPolarHBondContact O-CB 3.37Å; Y155-A159 PolarHBondContact O-N 3Å
156N80.2Confident77.6Confident65 Ų6590 Ų9035%0.34853%0.528SS..Hα-helixtrans-67.8-34.2-177.6-71.3-46.8000112.7Y152 S160Y152-N156 WeakPolarHBondContact CD1-ND2 3.26Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.42Å; Y152-N156 VanDerWaalsContact CE1-ND2 3.25Å; Y152-N156 WeakPolarHBondContact CE1-ND2 3.33Å; Y152-N156 VanDerWaalsContact CE2-ND2 3.27Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.28Å; Y152-N156 WeakPolarHBondContact O-CB 3.42Å; Y152-N156 PolarHBondContact O-N 3.33Å; Y152-N156 PolarHBondContact O-ND2 3.01Å; N156-S160 WeakPolarHBondContact O-CB 3.44Å; N156-S160 PolarHBondContact O-N 3.26Å
157T83.8Confident80Confident79 Ų7989.4 Ų89.449%0.48552%0.517SS..Hα-helixtrans-68.8-44.3174.147.70000111.8V153 S154 Y155 S160 V161V153-T157 WeakPolarHBondContact O-CB 3.32Å; V153-T157 WeakPolarHBondContact O-CG2 3.35Å; V153-T157 PolarHBondContact O-N 2.93Å; V153-T157 PolarHBondContact O-OG1 3.42Å; S154-T157 WeakPolarHBondContact CA-OG1 3.43Å; S154-T157 PolarHBondContact O-OG1 2.76Å; Y155-T157 PolarHBondContact O-N 3.26Å; T157-S160 PolarHBondContact O-N 3.48Å; T157-V161 WeakPolarHBondContact O-CG2 3.22Å; T157-V161 PolarHBondContact O-N 3.3Å
158I88.3Confident82.3Confident110 Ų11087.1 Ų87.156%0.56450%0.498SS*.Hα-helixtrans-61.8-46.8174.4-68166000111.1S154 Y155 S160 V161 M162S154-I158 WeakPolarHBondContact O-CB 3.4Å; S154-I158 WeakPolarHBondContact O-CD1 3.3Å; S154-I158 VanDerWaalsContact O-CG1 3.22Å; S154-I158 WeakPolarHBondContact O-CG1 3.37Å; S154-I158 PolarHBondContact O-N 2.85Å; Y155-I158 PolarHBondContact O-N 3.35Å; I158-S160 VanDerWaalsContact C-N 3.33Å; I158-S160 PolarHBondContact O-N 3.03Å; I158-V161 PolarHBondContact O-N 3.45Å; I158-M162 HydrophobicContact CG2-CG 4.41Å; I158-M162 WeakPolarHBondContact O-CG 3.48Å; I158-M162 PolarHBondContact O-N 3.03Å
159A90.4Very high84.1Confident40 Ų4089.8 Ų89.833%0.33151%0.507SS..Hα-helixtrans-61.2-40.6178.500000112.2Y155 M162 L163Y155-A159 VanDerWaalsContact O-CB 3.3Å; Y155-A159 WeakPolarHBondContact O-CB 3.37Å; Y155-A159 PolarHBondContact O-N 3Å; A159-M162 PolarHBondContact O-N 2.74Å; A159-L163 WeakPolarHBondContact O-CB 3.36Å; A159-L163 PolarHBondContact O-N 3.34Å
160S92.1Very high86Confident67 Ų6792.1 Ų92.147%0.46951%0.507SS..Hα-helixtrans-62.8-46.1174.5-176.90000112.2N156 T157 I158 M162 L163 C164N156-S160 WeakPolarHBondContact O-CB 3.44Å; N156-S160 PolarHBondContact O-N 3.26Å; T157-S160 PolarHBondContact O-N 3.48Å; I158-S160 VanDerWaalsContact C-N 3.33Å; I158-S160 PolarHBondContact O-N 3.03Å; S160-M162 PolarHBondContact O-N 2.94Å; S160-L163 PolarHBondContact O-N 2.95Å; S160-C164 WeakPolarHBondContact O-CB 3.33Å; S160-C164 PolarHBondContact O-N 3.38Å; S160-C164 PolarHBondContact O-SG 2.92Å; S160-C164 VanDerWaalsContact O-SG 3.35Å
161V95.1Very high87.6Confident88 Ų8891.6 Ų91.653%0.53350%0.496SS..Hα-helixtrans-60.3-46.6175.9169.80000111.2T157 I158 L163 C164 C165T157-V161 WeakPolarHBondContact O-CG2 3.22Å; T157-V161 PolarHBondContact O-N 3.3Å; I158-V161 PolarHBondContact O-N 3.45Å; V161-L163 PolarHBondContact O-N 3.46Å; V161-C164 PolarHBondContact O-N 2.97Å; V161-C165 PolarHBondContact O-N 3.46Å; V161-C165 PolarHBondContact O-SG 3.27Å
162M94.1Very high89Confident111 Ų11195.8 Ų95.855%0.54750%0.502SS..Hα-helixtrans-62.3-41.8178.3-69.1-60.1-66.900112.3I158 A159 S160 C165 I166I158-M162 HydrophobicContact CG2-CG 4.41Å; I158-M162 WeakPolarHBondContact O-CG 3.48Å; I158-M162 PolarHBondContact O-N 3.03Å; A159-M162 PolarHBondContact O-N 2.74Å; S160-M162 PolarHBondContact O-N 2.94Å; M162-C165 PolarHBondContact O-N 3.09Å; M162-I166 VanDerWaalsContact O-CG1 3.32Å; M162-I166 WeakPolarHBondContact O-CG1 3.37Å; M162-I166 PolarHBondContact O-N 3.41Å
163L95.9Very high90.1Very high104 Ų10491.3 Ų91.355%0.54549%0.493SS..Hα-helixtrans-62.9-44.9175.5-179.561.3000111.6A159 S160 V161 C165 I166 I167A159-L163 WeakPolarHBondContact O-CB 3.36Å; A159-L163 PolarHBondContact O-N 3.34Å; S160-L163 PolarHBondContact O-N 2.95Å; V161-L163 PolarHBondContact O-N 3.46Å; L163-C165 PolarHBondContact O-N 2.98Å; L163-I166 PolarHBondContact O-N 3.48Å; L163-I167 HydrophobicContact CD1-CD1 4.18Å; L163-I167 HydrophobicContact CD1-CG1 4.48Å; L163-I167 HydrophobicContact CG-CD1 3.98Å; L163-I167 WeakPolarHBondContact O-CG1 3.44Å; L163-I167 PolarHBondContact O-N 3.35Å
164C96.4Very high91Very high62 Ų6292.4 Ų92.442%0.41950%0.495SS..Hα-helixtrans-59.9-43.8174.8-74.80000112.1S160 V161 I166 I167 I168S160-C164 WeakPolarHBondContact O-CB 3.33Å; S160-C164 PolarHBondContact O-N 3.38Å; S160-C164 PolarHBondContact O-SG 2.92Å; S160-C164 VanDerWaalsContact O-SG 3.35Å; V161-C164 PolarHBondContact O-N 2.97Å; C164-I166 PolarHBondContact O-N 3.02Å; C164-I167 PolarHBondContact O-N 3.37Å; C164-I168 WeakPolarHBondContact O-CD1 3.22Å; C164-I168 VanDerWaalsContact O-CG1 3.26Å; C164-I168 WeakPolarHBondContact O-CG1 3.2Å; C164-I168 PolarHBondContact O-N 3.41Å
165C96.6Very high91.5Very high60 Ų6093.7 Ų93.741%0.40550%0.496SS..Hα-helixtrans-59.9-43.8174.8-71.30000112.2V161 M162 L163 I168 L169V161-C165 PolarHBondContact O-N 3.46Å; V161-C165 PolarHBondContact O-SG 3.27Å; M162-C165 PolarHBondContact O-N 3.09Å; L163-C165 PolarHBondContact O-N 2.98Å; C165-I168 PolarHBondContact O-N 3.16Å; C165-L169 WeakPolarHBondContact O-CG 3.46Å; C165-L169 PolarHBondContact O-N 3.49Å
166I96.4Very high91.3Very high89 Ų8991.8 Ų91.846%0.45650%0.496SS..Hα-helixtrans-62.9-44.7176.6-67.9162.9000110.9M162 L163 C164 I168 L169 L170M162-I166 VanDerWaalsContact O-CG1 3.32Å; M162-I166 WeakPolarHBondContact O-CG1 3.37Å; M162-I166 PolarHBondContact O-N 3.41Å; L163-I166 PolarHBondContact O-N 3.48Å; C164-I166 PolarHBondContact O-N 3.02Å; I166-I168 PolarHBondContact O-N 3.32Å; I166-L169 PolarHBondContact O-N 3Å; I166-L170 HydrophobicContact CG2-CD1 3.92Å; I166-L170 HydrophobicContact CG2-CG 4.41Å; I166-L170 WeakPolarHBondContact O-CB 3.48Å; I166-L170 WeakPolarHBondContact O-CG 3.45Å; I166-L170 PolarHBondContact O-N 3.02Å
167I96.6Very high91.1Very high81 Ų8191.2 Ų91.242%0.41550%0.501SS..Hα-helixtrans-61.3-43.7177-68.7165.7000110.8L163 C164 L170 L171L163-I167 HydrophobicContact CD1-CD1 4.18Å; L163-I167 HydrophobicContact CD1-CG1 4.48Å; L163-I167 HydrophobicContact CG-CD1 3.98Å; L163-I167 WeakPolarHBondContact O-CG1 3.44Å; L163-I167 PolarHBondContact O-N 3.35Å; C164-I167 PolarHBondContact O-N 3.37Å; I167-L170 PolarHBondContact O-N 3.41Å; I167-L171 HydrophobicContact CG2-CD1 3.9Å; I167-L171 HydrophobicContact CG2-CG 4.37Å; I167-L171 WeakPolarHBondContact O-CB 3.45Å; I167-L171 VanDerWaalsContact O-CG 3.29Å; I167-L171 WeakPolarHBondContact O-CG 3.48Å; I167-L171 PolarHBondContact O-N 3.45Å
168I96.3Very high90.6Very high91 Ų9197.2 Ų97.247%0.46751%0.514SS..Hα-helixtrans-61.2-45.6176.7-69.5163.5000110.8C164 C165 I166 L170 L171 W172C164-I168 WeakPolarHBondContact O-CD1 3.22Å; C164-I168 VanDerWaalsContact O-CG1 3.26Å; C164-I168 WeakPolarHBondContact O-CG1 3.2Å; C164-I168 PolarHBondContact O-N 3.41Å; C165-I168 PolarHBondContact O-N 3.16Å; I166-I168 PolarHBondContact O-N 3.32Å; I168-L170 PolarHBondContact O-N 3Å; I168-L171 PolarHBondContact O-N 3.02Å; I168-W172 WeakPolarHBondContact O-CB 3.4Å; I168-W172 PolarHBondContact O-N 2.92Å
169L95.3Very high89.7Confident121 Ų121100.1 Ų100.163%0.63452%0.523SS*.Hα-helixtrans-63.8-39.1178.1-71.2170.5000112.7C165 I166 W172 S173C165-L169 WeakPolarHBondContact O-CG 3.46Å; C165-L169 PolarHBondContact O-N 3.49Å; I166-L169 PolarHBondContact O-N 3Å; L169-W172 PolarHBondContact O-N 3.49Å; L169-S173 PolarHBondContact O-N 2.92Å; L169-S173 PolarHBondContact O-OG 3.47Å
170L94.8Very high88.2Confident98 Ų98101.7 Ų101.751%0.51353%0.531SS..Hα-helixtrans-67.8-40.8174.8-70.7171.9000112.1I166 I167 I168 W172 S173 L174I166-L170 HydrophobicContact CG2-CD1 3.92Å; I166-L170 HydrophobicContact CG2-CG 4.41Å; I166-L170 WeakPolarHBondContact O-CB 3.48Å; I166-L170 WeakPolarHBondContact O-CG 3.45Å; I166-L170 PolarHBondContact O-N 3.02Å; I167-L170 PolarHBondContact O-N 3.41Å; I168-L170 PolarHBondContact O-N 3Å; L170-W172 VanDerWaalsContact C-N 3.35Å; L170-S173 PolarHBondContact O-N 3.32Å; L170-S173 PolarHBondContact O-OG 3.36Å; L170-S173 VanDerWaalsContact O-OG 3.04Å; L170-L174 WeakPolarHBondContact O-CB 3.14Å; L170-L174 VanDerWaalsContact O-CG 3.24Å; L170-L174 WeakPolarHBondContact O-CG 3.4Å; L170-L174 PolarHBondContact O-N 3.35Å
171L93.9Very high86.6Confident94 Ų94102.4 Ų102.449%0.49253%0.533SS..Hα-helixtrans-65-39.9173.7-70.8172.5000111.2I167 I168 L174 I175I167-L171 HydrophobicContact CG2-CD1 3.9Å; I167-L171 HydrophobicContact CG2-CG 4.37Å; I167-L171 WeakPolarHBondContact O-CB 3.45Å; I167-L171 VanDerWaalsContact O-CG 3.29Å; I167-L171 WeakPolarHBondContact O-CG 3.48Å; I167-L171 PolarHBondContact O-N 3.45Å; I168-L171 PolarHBondContact O-N 3.02Å; L171-L174 PolarHBondContact O-N 2.92Å; L171-I175 WeakPolarHBondContact O-CB 3.28Å; L171-I175 WeakPolarHBondContact O-CD1 3.24Å; L171-I175 WeakPolarHBondContact O-CG1 3.32Å; L171-I175 PolarHBondContact O-N 3.04Å
172W93.3Very high84.6Confident185 Ų185106.8 Ų106.870%0.70155%0.545SS*.Hα-helixtrans-64.4-42.3174.6-88.858.8000112.5I168 L169 L170 I175 L176I168-W172 WeakPolarHBondContact O-CB 3.4Å; I168-W172 PolarHBondContact O-N 2.92Å; L169-W172 PolarHBondContact O-N 3.49Å; L170-W172 VanDerWaalsContact C-N 3.35Å; W172-I175 PolarHBondContact O-N 3.48Å; W172-L176 VanDerWaalsContact O-CB 3.28Å; W172-L176 WeakPolarHBondContact O-CB 3.32Å; W172-L176 PolarHBondContact O-N 3.42Å
173S90.6Very high82.5Confident61 Ų61105.5 Ų105.543%0.42754%0.544SS..Hα-helixtrans-68-36.5177.372.10000112.1L169 L170 L176 A177L169-S173 PolarHBondContact O-N 2.92Å; L169-S173 PolarHBondContact O-OG 3.47Å; L170-S173 PolarHBondContact O-N 3.32Å; L170-S173 PolarHBondContact O-OG 3.36Å; L170-S173 VanDerWaalsContact O-OG 3.04Å; S173-L176 PolarHBondContact O-N 2.98Å; S173-A177 VanDerWaalsContact O-CB 3.26Å; S173-A177 WeakPolarHBondContact O-CB 3.41Å; S173-A177 PolarHBondContact O-N 3.48Å
174L86.3Confident80.6Confident113 Ų113106.3 Ų106.359%0.59255%0.547SS*.Hα-helixtrans-68.3-38.9172.4-70.8169.9000112.7L170 L171 R178L170-L174 WeakPolarHBondContact O-CB 3.14Å; L170-L174 VanDerWaalsContact O-CG 3.24Å; L170-L174 WeakPolarHBondContact O-CG 3.4Å; L170-L174 PolarHBondContact O-N 3.35Å; L171-L174 PolarHBondContact O-N 2.92Å; L174-R178 WeakPolarHBondContact O-CB 3.4Å; L174-R178 PolarHBondContact O-N 3.31Å
175I81.4Confident78Confident90 Ų90112.9 Ų112.946%0.46257%0.565SS.*Hα-helixtrans-66.2-41173.4-72.1163.2000110.5L171 W172 R178 K179L171-I175 WeakPolarHBondContact O-CB 3.28Å; L171-I175 WeakPolarHBondContact O-CD1 3.24Å; L171-I175 WeakPolarHBondContact O-CG1 3.32Å; L171-I175 PolarHBondContact O-N 3.04Å; W172-I175 PolarHBondContact O-N 3.48Å; I175-R178 PolarHBondContact O-N 3.42Å; I175-K179 HydrophobicContact CG2-CD 4.19Å; I175-K179 WeakPolarHBondContact O-CB 3.29Å; I175-K179 WeakPolarHBondContact O-CG 3.45Å; I175-K179 PolarHBondContact O-N 3.29Å
176L80.4Confident75.9Confident119 Ų119116.3 Ų116.362%0.62358%0.584SS**Hα-helixtrans-64.5-49176-176.161.8000110.7W172 S173 R178 K179 S180W172-L176 VanDerWaalsContact O-CB 3.28Å; W172-L176 WeakPolarHBondContact O-CB 3.32Å; W172-L176 PolarHBondContact O-N 3.42Å; S173-L176 PolarHBondContact O-N 2.98Å; L176-R178 VanDerWaalsContact C-N 3.3Å; L176-R178 PolarHBondContact O-N 2.89Å; L176-K179 CarbonylContact O-C 3.41Å; L176-K179 PolarHBondContact O-N 3.32Å; L176-S180 WeakPolarHBondContact O-CB 3.5Å; L176-S180 PolarHBondContact O-N 2.89Å; L176-S180 PolarHBondContact O-OG 2.84Å
177A75.6Confident73.2Confident53 Ų53119.9 Ų119.944%0.43860%0.598SS.*Hα-helixtrans-58.9-38.6175.800000112.7S173 S180 T181S173-A177 VanDerWaalsContact O-CB 3.26Å; S173-A177 WeakPolarHBondContact O-CB 3.41Å; S173-A177 PolarHBondContact O-N 3.48Å; A177-S180 WeakPolarHBondContact CA-OG 3.26Å; A177-S180 CarbonylContact O-C 3.57Å; A177-S180 PolarHBondContact O-N 3.35Å; A177-S180 PolarHBondContact O-OG 3.47Å; A177-T181 PolarHBondContact O-N 2.93Å
178R73.3Confident71.2Confident204 Ų204123.6 Ų123.677%0.7761%0.614SS**Hα-helixtrans-74-24.7175.8-174.2173.7177.8178.3-0.5113.4L174 I175 L176 T181L174-R178 WeakPolarHBondContact O-CB 3.4Å; L174-R178 PolarHBondContact O-N 3.31Å; I175-R178 PolarHBondContact O-N 3.42Å; L176-R178 VanDerWaalsContact C-N 3.3Å; L176-R178 PolarHBondContact O-N 2.89Å; R178-T181 PolarHBondContact O-OG1 2.9Å
179K69.3Low68.4Low171 Ų171129.1 Ų129.174%0.74363%0.629SS**Hα-helixtrans-81.9-26.1168.9-74.8177.7177.9-176.30112I175 L176I175-K179 HydrophobicContact CG2-CD 4.19Å; I175-K179 WeakPolarHBondContact O-CB 3.29Å; I175-K179 WeakPolarHBondContact O-CG 3.45Å; I175-K179 PolarHBondContact O-N 3.29Å; L176-K179 CarbonylContact O-C 3.41Å; L176-K179 PolarHBondContact O-N 3.32Å
180S58.4Low65.7Low73 Ų73125.9 Ų125.951%0.5161%0.611SS.*  trans-95.524.4178.178.30000113.4L176 A177 F182L176-S180 WeakPolarHBondContact O-CB 3.5Å; L176-S180 PolarHBondContact O-N 2.89Å; L176-S180 PolarHBondContact O-OG 2.84Å; A177-S180 WeakPolarHBondContact CA-OG 3.26Å; A177-S180 CarbonylContact O-C 3.57Å; A177-S180 PolarHBondContact O-N 3.35Å; A177-S180 PolarHBondContact O-OG 3.47Å; S180-F182 PolarHBondContact O-N 2.96Å
181T58Low63Low83 Ų83126.8 Ų126.851%0.50963%0.625SS.*  trans-67.385161.848.70000108.3A177 R178 T183A177-T181 PolarHBondContact O-N 2.93Å; R178-T181 PolarHBondContact O-OG1 2.9Å; T181-T183 PolarHBondContact O-N 3.35Å
182F54.5Low60.2Low179 Ų179124.8 Ų124.879%0.78563%0.627SS**  trans-65.6110.5-168.7-164.4-88.4000110.6S180 I184S180-F182 PolarHBondContact O-N 2.96Å; F182-I184 HydrophobicContact CD1-CG1 3.9Å; F182-I184 HydrophobicContact CE1-CG1 4.45Å; F182-I184 PolarHBondContact O-N 3.31Å
183T48.4Very low57.2Low84 Ų84125 Ų12552%0.51563%0.633SS.*  trans-69.598.2171.647.40000109T181 Y185T181-T183 PolarHBondContact O-N 3.35Å; T183-Y185 VanDerWaalsContact O-CD2 3.27Å; T183-Y185 WeakPolarHBondContact O-CD2 3.5Å; T183-Y185 PolarHBondContact O-N 3.36Å; T183-Y185 VanDerWaalsContact O-N 3.1Å; T183-Y185 VanDerWaalsContact OG1-CE2 3.32Å; T183-Y185 WeakPolarHBondContact OG1-CE2 3.2Å
184I56.5Low54.6Low121 Ų121130.1 Ų130.162%0.62165%0.651SS**  trans-70.2103.6172.1-57.5173.8000107.6F182 V186F182-I184 HydrophobicContact CD1-CG1 3.9Å; F182-I184 HydrophobicContact CE1-CG1 4.45Å; F182-I184 PolarHBondContact O-N 3.31Å; I184-V186 HydrophobicContact CG2-CG2 4Å
185Y42.8Very low52.5Low200 Ų200129.3 Ų129.378%0.78466%0.66SS**  trans-78.9115.2166.5-66.6-86.6000108.3T183T183-Y185 VanDerWaalsContact O-CD2 3.27Å; T183-Y185 WeakPolarHBondContact O-CD2 3.5Å; T183-Y185 PolarHBondContact O-N 3.36Å; T183-Y185 VanDerWaalsContact O-N 3.1Å; T183-Y185 VanDerWaalsContact OG1-CE2 3.32Å; T183-Y185 WeakPolarHBondContact OG1-CE2 3.2Å
186V52.1Low50.2Low132 Ų132132.6 Ų132.680%0.868%0.679SS**  trans-97.2100.1171.6-178.70000106.7I184I184-V186 HydrophobicContact CG2-CG2 4Å
187E40.5Very low47.8Very low164 Ų164132.1 Ų132.177%0.76669%0.685SS**  trans-92.3124.2179.4-167.7166.6167.600111R189E187-R189 PolarHBondContact O-N 2.85Å
188E53.4Low45.9Very low160 Ų160137.9 Ų137.975%0.74871%0.708SS**  trans-90.4100.5-169.5-177178.8-146.200112.2
189R38.4Very low44Very low206 Ų206140.1 Ų140.178%0.77772%0.716SS**  trans-146132.6159.1-69.7-164-159.7160.516.8113.3E187E187-R189 PolarHBondContact O-N 2.85Å
190H38Very low42.3Very low54 Ų54136.7 Ų136.725%0.2571%0.714CS.*  trans-159.297.1-177-90.9-11.5000112.5K236H190-K236 HydrophobicContact CB-CB 3.93Å; H190-K236 HydrophobicContact CB-CD 3.67Å; H190-K236 HydrophobicContact CB-CG 3.69Å; H190-K236 WeakPolarHBondContact O-CD 3.38Å; H190-K236 WeakPolarHBondContact O-CE 3.16Å; H190-K236 PolarHBondContact O-NZ 2.91Å
191S37.8Very low41.2Very low117 Ų117141.1 Ų141.182%0.81873%0.731SS**  trans-176.1129.1163.749.80000109.3
192G34.5Very low40.3Very low51 Ų51146.8 Ų146.853%0.52675%0.748SS.*  cis-178.4-168.3-2.100000109.2
193F31Very low39.4Very low190 Ų190143.6 Ų143.683%0.83375%0.746SS**  trans63.8148.6178.8-87.2-116.7000115.1
194E35.6Very low38.7Very low169 Ų169149.4 Ų149.479%0.7976%0.764SS**  cis-145.8164.3-17.3-162.8162.6-159.300107.6
195A42.5Very low37.6Very low96 Ų96151.4 Ų151.479%0.79377%0.77SS**  trans-134.9134.4-174.200000112.2
196D33.4Very low37.2Very low159 Ų159151.9 Ų151.985%0.8577%0.771SS**  trans-150.4154.4170.6-149.1-23.5000113.7
197S29.3Very low36.2Very low109 Ų109157 Ų15776%0.76278%0.776SS**  trans61.5110166.5-77.30000120.1
198L36.3Very low35.8Very low173 Ų173158.6 Ų158.691%0.90678%0.78SS**  trans-89.6143.6172.2-67161000112.2
199R33.6Very low34.6Very low251 Ų251156.9 Ų156.995%0.94778%0.775SS**  trans-134.9121.8141.8-97.5-173.6-171-164.73113
200S32.3Very low34.2Very low100 Ų100154.9 Ų154.970%0.69978%0.775SS**  trans-50148.7170.5-152.60000111.3
201L36.3Very low33.7Very low166 Ų166157.2 Ų157.287%0.86979%0.792SS**  -152150.359.9-81.2150.5000114.8
202K38.5Very low33.1Very low201 Ų201159.7 Ų159.787%0.87479%0.791SS**  trans-92.4171.7170.3-102.4-170.5174.1175.80111.9
203P35.6Very low32.9Very low113 Ų113164.8 Ų164.873%0.73481%0.805SS**  trans-104.7163.3-141.739.7-39.5000118.2
204K35.4Very low32.7Very low206 Ų206161.2 Ų161.290%0.89680%0.804SS**  trans32117.5151.8-87.2-178.8172.1173.20119.5
205H32.3Very low32.2Very low162 Ų162157 Ų15775%0.7581%0.806SS**  trans-148.1147.6149.9-155.348.8000115.2
206R35.1Very low31.4Very low211 Ų211160.3 Ų160.380%0.79681%0.809SS**  trans66105.5158.8-93.5173.1-170.9-171.8-0.9123.8
207R31.4Very low31Very low240 Ų240158.4 Ų158.491%0.90681%0.809SS**  trans10.3126.6137-72.3179.4168168-4.5120.8
208K31.8Very low31Very low196 Ų196157.1 Ų157.185%0.85281%0.805SS**  160.5161.7121.8-91.7-165.5174.9-174.90108.7
209L28.3Very low30.5Very low125 Ų125156.2 Ų156.265%0.65480%0.801SS**  cis-176.2145.9-26-179.772.4000106.7
210H29.5Very low30.1Very low164 Ų164148.3 Ų148.376%0.75978%0.784SS**  trans65.1157.3179-71.7-66.9000115
211T27.3Very low29.8Very low102 Ų102151 Ų15163%0.62679%0.791SS**  cis-150.8170.3-10.1-115.20000109.4
212E26.1Very low29.3Very low170 Ų170147.7 Ų147.779%0.79478%0.781SS**  trans-4.9142.2165.7-57.7171.4138.300118.5
213L29.3Very low28.7Very low157 Ų157144.2 Ų144.282%0.82278%0.777SS**  -17216666.1-170.159.9000112.7
214S25.8Very low28.2Very low116 Ų116145.3 Ų145.381%0.81178%0.781SS**  trans-53.8150.9-179.9-43.10000117.2
215G26Very low27.7Very low80 Ų80142.5 Ų142.583%0.82578%0.775SS**  trans-177.6112.4167.600000116.1
216L26.2Very low27.4Very low165 Ų165138.4 Ų138.486%0.86476%0.764SS**  trans-58.4167.6178.4-75.9141.6000117.2
217S25.4Very low27Very low120 Ų120136.6 Ų136.684%0.83977%0.765SS**  trans68.3164.914864.60000118.8
218A28.6Very low26.7Very low82 Ų82132 Ų13268%0.67876%0.758SS**  cis-171.5163-36.300000107.7
219D24.9Very low26.4Very low154 Ų154128.8 Ų128.882%0.82475%0.75SS**  trans58.4178169.1-79.7-34.8000117
220S26.1Very low26.4Very low85 Ų85131 Ų13159%0.59476%0.757SS**  -169.9157-55-90.60000107.3
221D26.1Very low26.4Very low157 Ų157134.2 Ų134.284%0.8476%0.762SS**  trans63.8157163-72.8-27.4000117.8
222S26.3Very low26.9Very low95 Ų95134.8 Ų134.866%0.66477%0.767SS**  cis-155.9144.5-842.60000111.4
223V24.5Very low27.2Very low129 Ų129133.7 Ų133.778%0.78277%0.766SS**  49.6155.8128.7-168.30000121
224V26.1Very low27.5Very low135 Ų135131.6 Ų131.682%0.81876%0.76SS**  trans96136.5167.7-174.60000115
225L24.5Very low27.6Very low147 Ų147129.8 Ų129.877%0.7775%0.747SS**  cis-171.9159.9-35.2-170.761.6000106
226S25.8Very low28.1Very low76 Ų76132.4 Ų132.453%0.53174%0.736SS.*  trans70.1121160.2-74.80000116.6
227E27.6Very low28.3Very low174 Ų174129.7 Ų129.781%0.81373%0.731SS**  8013794.5-71.3170.510100113.3
228D24Very low28.7Very low143 Ų143128.7 Ų128.777%0.76572%0.716SS**  cis-162.7-177.8-20.6-158.6-7.8000108
229L27Very low29.1Very low129 Ų129133.4 Ų133.468%0.67573%0.726SS**  trans80130.5143.8-15362.3000120.8
230E28.3Very low29.9Very low171 Ų171134.1 Ų134.180%0.79973%0.725SS**  trans70.2132.3151.2-78.3169.6156.600125.5
231R28.5Very low30.9Very low232 Ų232136.9 Ų136.988%0.87573%0.732SS**  trans-105.8-171.2155.1-38.3173.7-170.7152.30.8107.3
232P38.6Very low32.3Very low113 Ų113134.5 Ų134.573%0.73472%0.719SS**  cis-119.1-146.7-13.823.63.7000109.6
233L31.3Very low33.7Very low147 Ų147134.6 Ų134.677%0.7772%0.717SS**  cis-135.5169.74.8-75.7166.8000107.7
234V35Very low34.9Very low114 Ų114134.9 Ų134.969%0.69171%0.71SS**  cis85.489.723.2-171.60000116.3
235S29.3Very low36.4Very low78 Ų78131.7 Ų131.755%0.54569%0.69SS.*  trans-174.7145.4167.9-1760000108.3
236K35.1Very low37.8Very low134 Ų134128.1 Ų128.158%0.58367%0.672SS**  cis-146.8133.3-15.5158.4173.5-152.5161.30108.4H190H190-K236 HydrophobicContact CB-CB 3.93Å; H190-K236 HydrophobicContact CB-CD 3.67Å; H190-K236 HydrophobicContact CB-CG 3.69Å; H190-K236 WeakPolarHBondContact O-CD 3.38Å; H190-K236 WeakPolarHBondContact O-CE 3.16Å; H190-K236 PolarHBondContact O-NZ 2.91Å
237S31.3Very low39Very low108 Ų108131 Ų13176%0.75568%0.677SS**  trans-179.7123.4142.626.10000112.3
238N33.8Very low40.3Very low99 Ų99126.9 Ų126.953%0.52966%0.664SS.*  trans-80.5159.1173.9-70.17.7000111.2
239M37.3Very low41.8Very low182 Ų182122.8 Ų122.890%0.89764%0.642SS**  trans-143.1121.6155.9-117.4-70.9-173.600107.7
240E42.2Very low43Very low168 Ų168120.4 Ų120.479%0.78563%0.627SS**PPolyproline II helixtrans-62.6140.4-174.8-135.495140.100111.8
241L46.4Very low44.3Very low144 Ų144120.9 Ų120.975%0.75463%0.626SS**PPolyproline II helixtrans-102.8124.1175.1-134.479.1000112V245L241-V245 HydrophobicContact CD2-CG1 4.3Å
242L55.1Low45.3Very low107 Ų107117.6 Ų117.656%0.5662%0.618SS**PPolyproline II helixtrans-60.4132.5-174.2-165.575.1000112.3Q244 V245L242-Q244 HydrophobicContact CD2-CB 4.48Å; L242-Q244 HydrophobicContact CD2-CG 4.41Å; L242-Q244 PolarHBondContact O-N 3.45Å; L242-V245 PolarHBondContact O-N 2.83Å; L242-V245 VanDerWaalsContact O-N 3.09Å
243P56.2Low46Very low96 Ų96117.9 Ų117.962%0.62361%0.609SS**Hα-helixtrans-62.5-17.8-170.821.5-33.6000115.5V245 L246 E247P243-V245 PolarHBondContact O-N 3.27Å; P243-L246 WeakPolarHBondContact O-CB 3.34Å; P243-L246 PolarHBondContact O-N 3.26Å; P243-L246 VanDerWaalsContact O-N 3.16Å; P243-E247 PolarHBondContact O-N 2.99Å
244Q49.2Very low46.6Very low136 Ų136116.8 Ų116.864%0.63660%0.604SS**Hα-helixtrans-61.8-27175.3-64.3177-6.100113.1L242 T248L242-Q244 HydrophobicContact CD2-CB 4.48Å; L242-Q244 HydrophobicContact CD2-CG 4.41Å; L242-Q244 PolarHBondContact O-N 3.45Å; Q244-T248 PolarHBondContact O-N 3.23Å; Q244-T248 PolarHBondContact O-OG1 3.32Å
245V57.1Low47.6Very low67 Ų67114.5 Ų114.541%0.40659%0.588SS.*Hα-helixtrans-70.3-40.6175.7-1770000110.9L241 L242 P243 T248 L249L241-V245 HydrophobicContact CD2-CG1 4.3Å; L242-V245 PolarHBondContact O-N 2.83Å; L242-V245 VanDerWaalsContact O-N 3.09Å; P243-V245 PolarHBondContact O-N 3.27Å; V245-T248 PolarHBondContact O-N 3.35Å; V245-L249 HydrophobicContact CG1-CD1 4.08Å; V245-L249 WeakPolarHBondContact O-CG 3.32Å; V245-L249 PolarHBondContact O-N 3.3Å
246L54.8Low48.5Very low72 Ų72118.6 Ų118.638%0.37760%0.596SS.*Hα-helixtrans-63.8-46.5-179173.255.9000112P243 T248 L249 H250 I257P243-L246 WeakPolarHBondContact O-CB 3.34Å; P243-L246 PolarHBondContact O-N 3.26Å; P243-L246 VanDerWaalsContact O-N 3.16Å; L246-T248 VanDerWaalsContact C-N 3.3Å; L246-T248 PolarHBondContact O-N 3.44Å; L246-L249 PolarHBondContact O-N 2.84Å; L246-H250 PolarHBondContact O-N 3.07Å; L246-I257 HydrophobicContact CD1-CB 3.63Å; L246-I257 HydrophobicContact CD1-CD1 3.99Å; L246-I257 HydrophobicContact CD1-CG1 3.72Å
247E51.8Low49.3Very low136 Ų136116.9 Ų116.964%0.63659%0.592SS**Hα-helixtrans-63.6-38.1178.6-167.3178.9-165.700111.7P243 H250 K251P243-E247 PolarHBondContact O-N 2.99Å; E247-H250 PolarHBondContact O-N 3.43Å; E247-K251 VanDerWaalsContact O-CB 3.32Å; E247-K251 WeakPolarHBondContact O-CB 3.27Å; E247-K251 PolarHBondContact O-N 3.36Å
248T54.4Low50Low88 Ų88120.2 Ų120.254%0.5459%0.593SS.*Hα-helixtrans-65.7-42.5177.1-55.50000112Q244 V245 L246 K251 K252Q244-T248 PolarHBondContact O-N 3.23Å; Q244-T248 PolarHBondContact O-OG1 3.32Å; V245-T248 PolarHBondContact O-N 3.35Å; L246-T248 VanDerWaalsContact C-N 3.3Å; L246-T248 PolarHBondContact O-N 3.44Å; T248-K251 PolarHBondContact O-N 3.17Å; T248-K252 VanDerWaalsContact O-CB 3.28Å; T248-K252 WeakPolarHBondContact O-CB 3.32Å; T248-K252 PolarHBondContact O-N 2.91Å
249L54.4Low50.4Low58 Ų58120.2 Ų120.230%0.30461%0.606SS.*Hα-helixtrans-63.4-43.2174.9-77.4167.3000112.1V245 L246 H253 N254 I255V245-L249 HydrophobicContact CG1-CD1 4.08Å; V245-L249 WeakPolarHBondContact O-CG 3.32Å; V245-L249 PolarHBondContact O-N 3.3Å; L246-L249 PolarHBondContact O-N 2.84Å; L249-H253 CarbonylContact O-C 3.51Å; L249-H253 WeakPolarHBondContact O-CA 3.42Å; L249-H253 WeakPolarHBondContact O-CB 3.39Å; L249-H253 PolarHBondContact O-N 2.77Å; L249-N254 PolarHBondContact O-N 2.78Å; L249-I255 HydrophobicContact CD2-CD1 4.48Å
250H53.2Low50.5Low78 Ų78121.3 Ų121.336%0.36162%0.616SS.*Hα-helixtrans-63.1-48.3176.3-175.9-109.7000111.5L246 E247 K252 N254 I255 K256L246-H250 PolarHBondContact O-N 3.07Å; E247-H250 PolarHBondContact O-N 3.43Å; H250-K252 PolarHBondContact O-N 3.1Å; H250-N254 WeakPolarHBondContact O-CA 3.38Å; H250-N254 PolarHBondContact O-N 2.82Å; H250-I255 VanDerWaalsContact CA-O 3.28Å; H250-I255 WeakPolarHBondContact CA-O 3.38Å; H250-I255 WeakPolarHBondContact CB-O 3.26Å; H250-I255 PolarHBondContact CD2-O 3.01Å; H250-K256 WeakPolarHBondContact CD2-CG 3.28Å; H250-K256 WeakPolarHBondContact NE2-CE 3.43Å; H250-K256 WeakPolarHBondContact NE2-CG 3.33Å
251K54.7Low50.9Low182 Ų182119 Ų11979%0.79161%0.608SS**Hα-helixtrans-72.4-29.1-175.1-166.7171.2-175.4173.50114.1E247 T248E247-K251 VanDerWaalsContact O-CB 3.32Å; E247-K251 WeakPolarHBondContact O-CB 3.27Å; E247-K251 PolarHBondContact O-N 3.36Å; T248-K251 PolarHBondContact O-N 3.17Å
252K50.1Low51.2Low162 Ų162117.7 Ų117.770%0.70460%0.6SS**Hα-helixtrans-104.7-25.9-175.3-162.7176-176.7-178.90114.5T248 H250T248-K252 VanDerWaalsContact O-CB 3.28Å; T248-K252 WeakPolarHBondContact O-CB 3.32Å; T248-K252 PolarHBondContact O-N 2.91Å; H250-K252 PolarHBondContact O-N 3.1Å
253H53.8Low51Low119 Ų119118.3 Ų118.355%0.55160%0.602SS**Hα-helixtrans-126.52.6-176.9-61.4-78.2000113.9L249 I255L249-H253 CarbonylContact O-C 3.51Å; L249-H253 WeakPolarHBondContact O-CA 3.42Å; L249-H253 WeakPolarHBondContact O-CB 3.39Å; L249-H253 PolarHBondContact O-N 2.77Å; H253-I255 HydrophobicContact CB-CD1 4Å; H253-I255 HydrophobicContact CB-CG1 4.19Å; H253-I255 PolarHBondContact O-N 3.44Å
254N44.3Very low50.7Low124 Ų124119.6 Ų119.666%0.66360%0.601SS**  trans5927.2177.6-155.819.6000114.3L249 H250L249-N254 PolarHBondContact O-N 2.78Å; H250-N254 WeakPolarHBondContact O-CA 3.38Å; H250-N254 PolarHBondContact O-N 2.82Å
255I55.4Low50.7Low67 Ų67118.6 Ų118.634%0.34460%0.599SS.*PPolyproline II helixtrans-89123.4178.2-62.8169.4000109.1L249 H250 H253 I257L249-I255 HydrophobicContact CD2-CD1 4.48Å; H250-I255 VanDerWaalsContact CA-O 3.28Å; H250-I255 WeakPolarHBondContact CA-O 3.38Å; H250-I255 WeakPolarHBondContact CB-O 3.26Å; H250-I255 PolarHBondContact CD2-O 3.01Å; H253-I255 HydrophobicContact CB-CD1 4Å; H253-I255 HydrophobicContact CB-CG1 4.19Å; H253-I255 PolarHBondContact O-N 3.44Å; I255-I257 HydrophobicContact CG2-CG1 4.22Å
256K47.3Very low50.3Low163 Ų163122 Ų12271%0.70961%0.612SS**PPolyproline II helixtrans-98.6122.6167.7-76.5-173.7175.5-1770110H250H250-K256 WeakPolarHBondContact CD2-CG 3.28Å; H250-K256 WeakPolarHBondContact NE2-CE 3.43Å; H250-K256 WeakPolarHBondContact NE2-CG 3.33Å
257I52.8Low50Low99 Ų99125.6 Ų125.651%0.50863%0.629SS.*PPolyproline II helixtrans-103.6139.7163.1-46.7-175.8000106.9L246 I255L246-I257 HydrophobicContact CD1-CB 3.63Å; L246-I257 HydrophobicContact CD1-CD1 3.99Å; L246-I257 HydrophobicContact CD1-CG1 3.72Å; I255-I257 HydrophobicContact CG2-CG1 4.22Å
258K44.6Very low49.9Very low177 Ų177124.8 Ų124.877%0.7763%0.628SS**  trans-126.8105.1-179.2-160.2-169.8-177.5-151.20108.2
259A42.7Very low49.5Very low99 Ų99127.8 Ų127.882%0.81864%0.635SS**  trans-69.4151.9164.200000109.1
260N40.4Very low49Very low206 Ų206134.2 Ų134.2100%1.10267%0.665SS**  trans-1520-176.3-159.1112.5000109.6

Retrieved 260 of 260 residues in 124.5 ms (Link to these results)